| 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 | 39.8 | Very low | 37.6 | Very low | 244 Ų | 244 | 156.9 Ų | 156.9 | 100% | 1.202 | 85% | 0.851 | S | S | * | * | 0 | 143.9 | 0 | -71 | -143 | -169.6 | 0 | 0 | 108.2 | |||||
| 2 | A | 36.1 | Very low | 37.4 | Very low | 95 Ų | 95 | 151.1 Ų | 151.1 | 79% | 0.785 | 83% | 0.831 | S | S | * | * | trans | 74.3 | 109.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 3 | L | 36.8 | Very low | 37.1 | Very low | 166 Ų | 166 | 151.7 Ų | 151.7 | 87% | 0.869 | 83% | 0.831 | S | S | * | * | cis | 50.7 | 128.5 | 47.1 | -66.8 | 166.1 | 0 | 0 | 0 | 110.7 | ||||
| 4 | S | 39.2 | Very low | 36.8 | Very low | 96 Ų | 96 | 149.5 Ų | 149.5 | 67% | 0.671 | 83% | 0.825 | S | S | * | * | cis | 177.7 | -179.8 | 19.9 | 41.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 5 | C | 35.6 | Very low | 36.6 | Very low | 116 Ų | 116 | 150.5 Ų | 150.5 | 78% | 0.784 | 83% | 0.828 | S | S | * | * | trans | 88.4 | 116.8 | 158.2 | -49.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 6 | L | 39.3 | Very low | 36.3 | Very low | 163 Ų | 163 | 148.5 Ų | 148.5 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | cis | 80 | 100.4 | 31.7 | -132.6 | 178.5 | 0 | 0 | 0 | 114.9 | ||||
| 7 | T | 44.9 | Very low | 36.4 | Very low | 137 Ų | 137 | 150.8 Ų | 150.8 | 84% | 0.84 | 83% | 0.83 | S | S | * | * | trans | -173.3 | 115.2 | 150.3 | 44.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 8 | R | 35.1 | Very low | 36.9 | Very low | 221 Ų | 221 | 149.4 Ų | 149.4 | 83% | 0.834 | 83% | 0.83 | S | S | * | * | 73.4 | 107.4 | 67.5 | -153.2 | -177.9 | -158.2 | -162.2 | 5.9 | 113.8 | |||||
| 9 | A | 37.7 | Very low | 36.6 | Very low | 107 Ų | 107 | 146.9 Ų | 146.9 | 88% | 0.884 | 83% | 0.83 | S | S | * | * | trans | -144.7 | 109.2 | 155.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 10 | L | 35.4 | Very low | 36.5 | Very low | 140 Ų | 140 | 148.2 Ų | 148.2 | 73% | 0.733 | 83% | 0.834 | S | S | * | * | trans | -100.9 | 136.8 | 168.6 | -84.1 | 157.3 | 0 | 0 | 0 | 108 | ||||
| 11 | R | 34.2 | Very low | 36.2 | Very low | 241 Ų | 241 | 149.4 Ų | 149.4 | 91% | 0.909 | 84% | 0.837 | S | S | * | * | trans | -151.3 | 99.4 | 153.8 | -100.6 | -176.8 | 175 | -162 | -1.9 | 105.3 | ||||
| 12 | S | 34.8 | Very low | 35.8 | Very low | 87 Ų | 87 | 142.6 Ų | 142.6 | 61% | 0.608 | 81% | 0.814 | S | S | * | * | 74.6 | 106.7 | 66 | 78.5 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 13 | L | 33 | Very low | 35.5 | Very low | 159 Ų | 159 | 142.9 Ų | 142.9 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | 79.4 | 140.8 | 135.7 | -59.5 | 168.1 | 0 | 0 | 0 | 117.5 | ||||
| 14 | T | 32.9 | Very low | 35.3 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | cis | -158.7 | 137 | 23.7 | 38.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 15 | L | 35 | Very low | 34.8 | Very low | 165 Ų | 165 | 145.6 Ų | 145.6 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | 53.3 | 107.1 | 86.2 | -108.8 | 160.2 | 0 | 0 | 0 | 116.7 | |||||
| 16 | S | 30.6 | Very low | 34.7 | Very low | 118 Ų | 118 | 146 Ų | 146 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -174.3 | 111.3 | 140 | 61.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 17 | Q | 38.5 | Very low | 34.3 | Very low | 187 Ų | 187 | 144.2 Ų | 144.2 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -114.2 | 147.8 | 143.8 | -89 | -173.3 | -20.3 | 0 | 0 | 104.9 | ||||
| 18 | P | 45.9 | Very low | 33.7 | Very low | 127 Ų | 127 | 143.8 Ų | 143.8 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | -157.5 | 174.3 | 75.9 | 38.5 | -16.9 | 0 | 0 | 0 | 116.4 | |||||
| 19 | A | 31.1 | Very low | 33.7 | Very low | 101 Ų | 101 | 141.7 Ų | 141.7 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | -167.9 | 118.6 | 134.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 20 | L | 33.4 | Very low | 33.2 | Very low | 172 Ų | 172 | 143.1 Ų | 143.1 | 90% | 0.901 | 80% | 0.802 | S | S | * | * | trans | -91.8 | 140.8 | 160.7 | -81 | 161.9 | 0 | 0 | 0 | 108 | ||||
| 21 | L | 30.2 | Very low | 33 | Very low | 174 Ų | 174 | 145.6 Ų | 145.6 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | trans | -149 | 131.3 | 151.8 | -110.8 | 130.4 | 0 | 0 | 0 | 111 | ||||
| 22 | S | 31.1 | Very low | 33.1 | Very low | 101 Ų | 101 | 143.1 Ų | 143.1 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | trans | -74.4 | 153.8 | -178.4 | 52.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 23 | S | 31.4 | Very low | 32.9 | Very low | 102 Ų | 102 | 141.9 Ų | 141.9 | 71% | 0.713 | 81% | 0.812 | S | S | * | * | 176.3 | 126.2 | 121.8 | 54.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 24 | Q | 31.6 | Very low | 32.9 | Very low | 191 Ų | 191 | 141 Ų | 141 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | trans | 76.4 | 120.8 | 137 | -63 | 176.4 | 4.9 | 0 | 0 | 121.7 | ||||
| 25 | T | 29.2 | Very low | 33 | Very low | 128 Ų | 128 | 143.6 Ų | 143.6 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | -71.6 | 158.3 | 161.1 | 50.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 26 | P | 32.3 | Very low | 33.1 | Very low | 125 Ų | 125 | 142 Ų | 142 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | -135.8 | 156.1 | 93.3 | 34.7 | -21.7 | 0 | 0 | 0 | 115 | |||||
| 27 | V | 32.1 | Very low | 33.3 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | trans | -62.4 | 129.7 | 176 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 28 | V | 31.4 | Very low | 33.2 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | -132.9 | 107.5 | 155.4 | 177.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 29 | Q | 35 | Very low | 32.7 | Very low | 178 Ų | 178 | 137.8 Ų | 137.8 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -70.5 | 122.7 | 166.5 | -89.3 | 174.8 | -52 | 0 | 0 | 109.3 | ||||
| 30 | L | 28.9 | Very low | 32.9 | Very low | 137 Ų | 137 | 138.4 Ų | 138.4 | 72% | 0.717 | 80% | 0.798 | S | S | * | * | trans | -150.3 | 113.4 | 153.4 | -94.1 | 170.6 | 0 | 0 | 0 | 111.3 | ||||
| 31 | K | 30.7 | Very low | 33.3 | Very low | 191 Ų | 191 | 134.9 Ų | 134.9 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | trans | 69 | 110.8 | 144.7 | -68.6 | 177.6 | 179.5 | 178.3 | 0 | 120.6 | ||||
| 32 | L | 36.8 | Very low | 33.5 | Very low | 189 Ų | 189 | 135.2 Ų | 135.2 | 99% | 0.99 | 78% | 0.784 | S | S | * | * | trans | -39.7 | 128.3 | 151.2 | -156.4 | 77.4 | 0 | 0 | 0 | 112.1 | ||||
| 33 | G | 30.3 | Very low | 33.9 | Very low | 62 Ų | 62 | 136 Ų | 136 | 64% | 0.639 | 79% | 0.789 | S | S | * | * | trans | -175.8 | 89.8 | 176 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 34 | T | 32.1 | Very low | 34.2 | Very low | 141 Ų | 141 | 141.8 Ų | 141.8 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | trans | 55.9 | 106.1 | 152.8 | 33.4 | 0 | 0 | 0 | 0 | 119.6 | V36 | T34-V36 PolarHBondContact O-N 3.15Š| ||
| 35 | L | 35.6 | Very low | 34.4 | Very low | 175 Ų | 175 | 135.4 Ų | 135.4 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | trans | -46.1 | 121.8 | 159.2 | -71.9 | 153.6 | 0 | 0 | 0 | 111.5 | P37 | L35-P37 WeakPolarHBondContact O-CD 3.25Š| ||
| 36 | V | 37.3 | Very low | 35 | Very low | 132 Ų | 132 | 139.3 Ų | 139.3 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | trans | -68 | 117.3 | 164.2 | 178.4 | 0 | 0 | 0 | 0 | 107.5 | T34 S38 | T34-V36 PolarHBondContact O-N 3.15Å; V36-S38 PolarHBondContact O-N 2.9Å; V36-S38 VanDerWaalsContact O-N 3.09Å | ||
| 37 | P | 34.8 | Very low | 35.2 | Very low | 108 Ų | 108 | 139.9 Ų | 139.9 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | -71.2 | 112.2 | 169.5 | 28.3 | -28.8 | 0 | 0 | 0 | 107.3 | L35 T39 | L35-P37 WeakPolarHBondContact O-CD 3.25Å; P37-T39 PolarHBondContact O-N 3.48Å; P37-T39 VanDerWaalsContact O-N 3.08Å | ||
| 38 | S | 36.6 | Very low | 35.8 | Very low | 98 Ų | 98 | 140.2 Ų | 140.2 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | trans | -45.6 | 117.4 | 158.7 | 50.6 | 0 | 0 | 0 | 0 | 107.9 | V36 V40 | V36-S38 PolarHBondContact O-N 2.9Å; V36-S38 VanDerWaalsContact O-N 3.09Å; S38-V40 PolarHBondContact O-N 3.29Å | ||
| 39 | T | 35.6 | Very low | 36.7 | Very low | 136 Ų | 136 | 139 Ų | 139 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | -69.9 | 83.3 | 172.3 | 43.1 | 0 | 0 | 0 | 0 | 107.1 | P37 S41 | P37-T39 PolarHBondContact O-N 3.48Å; P37-T39 VanDerWaalsContact O-N 3.08Å; T39-S41 PolarHBondContact O-N 3.48Å | ||
| 40 | V | 34.8 | Very low | 37.1 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 70% | 0.697 | 77% | 0.773 | S | S | * | * | trans | -48.1 | 109 | 159 | 177.8 | 0 | 0 | 0 | 0 | 104.7 | S38 Q42 | S38-V40 PolarHBondContact O-N 3.29Å; V40-Q42 VanDerWaalsContact C-N 3.33Å; V40-Q42 PolarHBondContact O-N 3.06Å | ||
| 41 | S | 40.7 | Very low | 37.8 | Very low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | trans | -53.2 | 107.8 | 172.8 | 60 | 0 | 0 | 0 | 0 | 105.2 | T39 C43 | T39-S41 PolarHBondContact O-N 3.48Å; S41-C43 VanDerWaalsContact C-N 3.34Å; S41-C43 PolarHBondContact O-N 3.39Å | ||
| 42 | Q | 34.7 | Very low | 38.7 | Very low | 180 Ų | 180 | 125.6 Ų | 125.6 | 84% | 0.841 | 74% | 0.742 | S | S | * | * | trans | -51.8 | 109.9 | 176.3 | -76.1 | 179.5 | -14.8 | 0 | 0 | 105.2 | V40 R44 | V40-Q42 VanDerWaalsContact C-N 3.33Å; V40-Q42 PolarHBondContact O-N 3.06Å; Q42-R44 VanDerWaalsContact C-N 3.34Å; Q42-R44 PolarHBondContact O-N 2.8Å | ||
| 43 | C | 40.1 | Very low | 39.2 | Very low | 118 Ų | 118 | 125.4 Ų | 125.4 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | trans | -49.1 | 112.1 | 165.6 | -71 | 0 | 0 | 0 | 0 | 103.4 | S41 G45 | S41-C43 VanDerWaalsContact C-N 3.34Å; S41-C43 PolarHBondContact O-N 3.39Å; C43-G45 VanDerWaalsContact C-N 3.29Å; C43-G45 PolarHBondContact O-N 2.85Å | ||
| 44 | R | 38 | Very low | 40 | Very low | 223 Ų | 223 | 130.3 Ų | 130.3 | 84% | 0.842 | 74% | 0.739 | S | S | * | * | trans | -51 | 106.2 | 178.7 | -80.9 | -172.9 | 177.3 | -146.7 | 0.4 | 105.1 | Q42 F46 | Q42-R44 VanDerWaalsContact C-N 3.34Å; Q42-R44 PolarHBondContact O-N 2.8Å; R44-F46 PolarHBondContact O-N 2.82Å | ||
| 45 | G | 34.4 | Very low | 40.8 | Very low | 58 Ų | 58 | 128.5 Ų | 128.5 | 60% | 0.598 | 72% | 0.724 | S | S | * | * | trans | -49 | 143.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | C43 L47 | C43-G45 VanDerWaalsContact C-N 3.29Å; C43-G45 PolarHBondContact O-N 2.85Å; G45-L47 VanDerWaalsContact C-N 3.26Å; G45-L47 PolarHBondContact O-N 2.8Å | ||
| 46 | F | 42 | Very low | 41.6 | Very low | 210 Ų | 210 | 129.3 Ų | 129.3 | 92% | 0.921 | 72% | 0.715 | S | S | * | * | trans | -47.6 | 101.7 | 171.2 | -94.5 | -94 | 0 | 0 | 0 | 107.1 | R44 T48 | R44-F46 PolarHBondContact O-N 2.82Å; F46-T48 PolarHBondContact O-N 2.86Å | ||
| 47 | L | 37.7 | Very low | 42.5 | Very low | 137 Ų | 137 | 125.2 Ų | 125.2 | 72% | 0.717 | 70% | 0.695 | S | S | * | * | trans | -61.4 | 98.5 | 171.3 | -82.3 | 162.2 | 0 | 0 | 0 | 103.3 | G45 T49 | G45-L47 VanDerWaalsContact C-N 3.26Å; G45-L47 PolarHBondContact O-N 2.8Å; L47-T49 PolarHBondContact O-N 2.74Å | ||
| 48 | T | 44.6 | Very low | 43.4 | Very low | 131 Ų | 131 | 126.2 Ų | 126.2 | 80% | 0.804 | 69% | 0.686 | S | S | * | * | trans | -58.9 | 95.4 | 162.1 | 44.8 | 0 | 0 | 0 | 0 | 103.9 | F46 A50 | F46-T48 PolarHBondContact O-N 2.86Å; T48-A50 PolarHBondContact O-N 2.79Å | ||
| 49 | T | 51 | Low | 44.4 | Very low | 101 Ų | 101 | 124.2 Ų | 124.2 | 62% | 0.62 | 67% | 0.667 | S | S | * | * | trans | -46.8 | 125.8 | -177.5 | 43.4 | 0 | 0 | 0 | 0 | 108.3 | L47 | L47-T49 PolarHBondContact O-N 2.74Š| ||
| 50 | A | 43.3 | Very low | 45.6 | Very low | 88 Ų | 88 | 126.5 Ų | 126.5 | 73% | 0.727 | 67% | 0.665 | S | S | * | * | trans | -42.8 | 153.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | T48 L52 | T48-A50 PolarHBondContact O-N 2.79Å; A50-L52 PolarHBondContact O-N 3.1Å | ||
| 51 | S | 41.8 | Very low | 47.3 | Very low | 103 Ų | 103 | 125.9 Ų | 125.9 | 72% | 0.72 | 66% | 0.655 | S | S | * | * | trans | -49.2 | 133.5 | -175.1 | 83.4 | 0 | 0 | 0 | 0 | 112.5 | K53 | S51-K53 PolarHBondContact O-N 2.7Š| ||
| 52 | L | 49.5 | Very low | 49.1 | Very low | 34 Ų | 34 | 124.3 Ų | 124.3 | 18% | 0.178 | 64% | 0.638 | C | S | . | * | G | 310 helix | trans | -79.9 | 27.4 | -160.5 | -76 | 146.6 | 0 | 0 | 0 | 115.6 | A50 H54 N55 H80 T81 | A50-L52 PolarHBondContact O-N 3.1Å; L52-H54 PolarHBondContact O-N 3.44Å; L52-N55 HydrophobicContact CD2-CB 4.46Å; L52-N55 VanDerWaalsContact CD2-ND2 3.31Å; L52-N55 WeakPolarHBondContact CD2-ND2 3.35Å; L52-N55 PolarHBondContact O-N 2.66Å; L52-H80 WeakPolarHBondContact CB-O 3.46Å; L52-T81 VanDerWaalsContact CD1-O 3.3Å; L52-T81 WeakPolarHBondContact CD1-O 3.42Å |
| 53 | K | 47.7 | Very low | 51.4 | Low | 185 Ų | 185 | 123.2 Ų | 123.2 | 80% | 0.804 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -59.4 | -25.1 | 170 | -85.8 | -175.7 | 174.8 | 179 | 0 | 112 | S51 | S51-K53 PolarHBondContact O-N 2.7Š|
| 54 | H | 48.3 | Very low | 53.8 | Low | 165 Ų | 165 | 125.8 Ų | 125.8 | 76% | 0.764 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -80.2 | -9.8 | -176.4 | -109.2 | 80.7 | 0 | 0 | 0 | 116.1 | L52 R56 | L52-H54 PolarHBondContact O-N 3.44Å; H54-R56 VanDerWaalsContact C-N 3.31Å; H54-R56 PolarHBondContact O-N 2.83Å |
| 55 | N | 48.4 | Very low | 56.4 | Low | 103 Ų | 103 | 118.7 Ų | 118.7 | 55% | 0.551 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -95.8 | 33.5 | 176.9 | -83.3 | -30.8 | 0 | 0 | 0 | 112.3 | L52 A57 | L52-N55 HydrophobicContact CD2-CB 4.46Å; L52-N55 VanDerWaalsContact CD2-ND2 3.31Å; L52-N55 WeakPolarHBondContact CD2-ND2 3.35Å; L52-N55 PolarHBondContact O-N 2.66Å; N55-A57 PolarHBondContact O-N 3.39Å |
| 56 | R | 51.5 | Low | 59.2 | Low | 193 Ų | 193 | 118.4 Ų | 118.4 | 73% | 0.728 | 60% | 0.596 | S | S | * | * | trans | -59.3 | 110.1 | 156.7 | -90.8 | -177.5 | 165 | 163.6 | -5 | 106.3 | H54 Y58 | H54-R56 VanDerWaalsContact C-N 3.31Å; H54-R56 PolarHBondContact O-N 2.83Å; R56-Y58 PolarHBondContact O-N 3.34Å | ||
| 57 | A | 56.4 | Low | 61.7 | Low | 46 Ų | 46 | 111.3 Ų | 111.3 | 38% | 0.38 | 57% | 0.567 | S | S | . | * | trans | -52.8 | 115.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | N55 L59 K60 | N55-A57 PolarHBondContact O-N 3.39Å; A57-L59 PolarHBondContact O-N 2.99Å; A57-K60 HydrophobicContact CB-CG 4.48Å; A57-K60 WeakPolarHBondContact O-CB 3.39Å; A57-K60 PolarHBondContact O-N 3.13Å | ||
| 58 | Y | 55.3 | Low | 64.4 | Low | 129 Ų | 129 | 114.3 Ų | 114.3 | 51% | 0.506 | 57% | 0.569 | S | S | . | * | G | 310 helix | trans | -44.7 | -30.2 | 177.5 | -80.5 | -94.5 | 0 | 0 | 0 | 112.6 | R56 K60 Q61 K73 | R56-Y58 PolarHBondContact O-N 3.34Å; Y58-K60 PolarHBondContact O-N 3.33Å; Y58-Q61 PolarHBondContact O-N 3.16Å; Y58-K73 HydrophobicContact CD2-CD 4.48Å; Y58-K73 HydrophobicContact CE2-CD 4.36Å |
| 59 | L | 55.8 | Low | 66.7 | Low | 55 Ų | 55 | 111.1 Ų | 111.1 | 29% | 0.288 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -56.2 | -32.9 | 174.6 | -149.2 | 82.2 | 0 | 0 | 0 | 114.4 | A57 Q61 I70 I72 H97 | A57-L59 PolarHBondContact O-N 2.99Å; L59-Q61 VanDerWaalsContact C-N 3.32Å; L59-I70 HydrophobicContact CD1-CB 4.17Å; L59-I70 HydrophobicContact CD1-CD1 4.11Å; L59-I70 HydrophobicContact CD1-CG2 3.84Å; L59-I72 HydrophobicContact CD1-CG2 3.93Å; L59-H97 HydrophobicContact CD1-CB 3.94Å; L59-H97 VanDerWaalsContact CD1-CD2 3.4Å; L59-H97 WeakPolarHBondContact CD1-CD2 3.02Å |
| 60 | K | 61.9 | Low | 68.7 | Low | 184 Ų | 184 | 107.5 Ų | 107.5 | 80% | 0.8 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -83.8 | -6.8 | 179.2 | -63.7 | -174.3 | 178.1 | -173.9 | 0 | 113.4 | A57 Y58 | A57-K60 HydrophobicContact CB-CG 4.48Å; A57-K60 WeakPolarHBondContact O-CB 3.39Å; A57-K60 PolarHBondContact O-N 3.13Å; Y58-K60 PolarHBondContact O-N 3.33Å |
| 61 | Q | 70.1 | Confident | 70.9 | Confident | 102 Ų | 102 | 106 Ų | 106 | 48% | 0.477 | 52% | 0.52 | S | S | . | . | G | 310 helix | trans | -100.1 | -3.1 | 178.9 | -66 | 175.1 | -39.2 | 0 | 0 | 112.2 | Y58 L59 | Y58-Q61 PolarHBondContact O-N 3.16Å; L59-Q61 VanDerWaalsContact C-N 3.32Å |
| 62 | L | 77.8 | Confident | 73.2 | Confident | 65 Ų | 65 | 103.7 Ų | 103.7 | 34% | 0.34 | 50% | 0.499 | S | S | . | . | trans | -84 | 119 | 176.4 | -70.2 | 171.6 | 0 | 0 | 0 | 109.6 | I70 W99 | L62-I70 HydrophobicContact CD1-CD1 3.47Å; L62-I70 VanDerWaalsContact CD1-CD1 3.47Å; L62-I70 HydrophobicContact CD1-CG1 3.92Å; L62-I70 HydrophobicContact CD1-CG2 3.94Å; L62-W99 HydrophobicContact CB-CH2 4.11Å; L62-W99 HydrophobicContact CB-CZ3 3.69Å; L62-W99 HydrophobicContact CD1-CZ3 4.24Å; L62-W99 WeakPolarHBondContact O-CH2 3.38Å | ||
| 63 | D | 83.7 | Confident | 75 | Confident | 157 Ų | 157 | 108.5 Ų | 108.5 | 84% | 0.84 | 52% | 0.519 | S | S | * | . | trans | -88.3 | -23.4 | -179.8 | -57.1 | -32.3 | 0 | 0 | 0 | 112.4 | ||||
| 64 | K | 90.4 | Very high | 77 | Confident | 173 Ų | 173 | 103.9 Ų | 103.9 | 75% | 0.752 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -116 | 133 | -174.7 | -63.3 | -177.3 | -176.4 | -179.9 | 0 | 112.3 | T66 W99 | K64-T66 PolarHBondContact O-N 2.89Å; K64-T66 PolarHBondContact O-OG1 3.01Å; K64-W99 WeakPolarHBondContact O-CZ3 3.18Å |
| 65 | Y | 92.3 | Very high | 78.9 | Confident | 74 Ų | 74 | 100 Ų | 100 | 29% | 0.29 | 49% | 0.49 | S | S | . | . | trans | -59.4 | 132.9 | 176.1 | 179.6 | -92.7 | 0 | 0 | 0 | 111.2 | I67 W99 R143 W144 | Y65-I67 HydrophobicContact CE1-CG1 4Å; Y65-W99 HydrophobicContact CD2-CB 4.25Å; Y65-W99 AromaticContact CD2-CD1 3.96Å; Y65-W99 AromaticContact CD2-CD2 3.93Å; Y65-W99 HydrophobicContact CD2-CD2 3.93Å; Y65-W99 HydrophobicContact CD2-CE3 4.45Å; Y65-W99 AromaticContact CD2-CG 3.8Å; Y65-W99 HydrophobicContact CD2-CG 3.8Å; Y65-W99 HydrophobicContact CE2-CB 3.9Å; Y65-W99 AromaticContact CE2-CD1 3.95Å; Y65-W99 HydrophobicContact CE2-CD2 4.44Å; Y65-W99 AromaticContact CE2-CG 3.83Å; Y65-W99 HydrophobicContact CE2-CG 3.83Å; Y65-W99 WeakPolarHBondContact CE2-O 3.32Å; Y65-W99 PolarHBondContact OH-O 2.81Å; Y65-R143 HydrophobicContact CE1-CB 4.11Å; Y65-R143 VanDerWaalsContact OH-CA 3.31Å; Y65-R143 WeakPolarHBondContact OH-CA 3.46Å; Y65-W144 PolarHBondContact OH-N 2.89Å | ||
| 66 | T | 93.7 | Very high | 81 | Confident | 52 Ų | 52 | 96.1 Ų | 96.1 | 32% | 0.319 | 48% | 0.475 | S | S | . | . | trans | -138.3 | 135.9 | -179.3 | -44.5 | 0 | 0 | 0 | 0 | 110.7 | K64 R68 | K64-T66 PolarHBondContact O-N 2.89Å; K64-T66 PolarHBondContact O-OG1 3.01Å; T66-R68 HydrophobicContact CG2-CB 3.97Å; T66-R68 HydrophobicContact CG2-CG 4.2Å | ||
| 67 | I | 94.9 | Very high | 83 | Confident | 60 Ų | 60 | 87.2 Ų | 87.2 | 31% | 0.308 | 44% | 0.443 | S | S | . | . | trans | -78 | -27.1 | 179.8 | -58.1 | 145.9 | 0 | 0 | 0 | 111.4 | Y65 L135 K142 W144 | Y65-I67 HydrophobicContact CE1-CG1 4Å; I67-L135 HydrophobicContact CG2-CD1 3.77Å; I67-K142 HydrophobicContact CD1-CB 3.58Å; I67-K142 WeakPolarHBondContact CD1-O 3.2Å; I67-K142 HydrophobicContact CG1-CB 4.38Å; I67-K142 WeakPolarHBondContact CG1-O 3.4Å; I67-W144 HydrophobicContact CG2-CZ2 4.26Å; I67-W144 VanDerWaalsContact CG2-NE1 3.34Å; I67-W144 PolarHBondContact O-NE1 3.14Å | ||
| 68 | R | 94.1 | Very high | 84.7 | Confident | 200 Ų | 200 | 92 Ų | 92 | 76% | 0.755 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -62.1 | 141.1 | -177.4 | -64.3 | -179.2 | 178.6 | 175.8 | -0.3 | 110.4 | T66 I70 | T66-R68 HydrophobicContact CG2-CB 3.97Å; T66-R68 HydrophobicContact CG2-CG 4.2Å; R68-I70 PolarHBondContact O-N 2.97Å |
| 69 | P | 93.7 | Very high | 86.3 | Confident | 65 Ų | 65 | 88 Ų | 88 | 42% | 0.422 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 126.1 | 176.3 | -21.6 | 32.7 | 0 | 0 | 0 | 111.9 | K96 | P69-K96 HydrophobicContact CB-CB 3.65Å; P69-K96 HydrophobicContact CB-CD 3.81Å; P69-K96 HydrophobicContact CB-CG 4.37Å |
| 70 | I | 92.8 | Very high | 87.7 | Confident | 24 Ų | 24 | 92.8 Ų | 92.8 | 12% | 0.123 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 133.4 | -176.5 | -60.2 | 152.4 | 0 | 0 | 0 | 109.7 | L59 L62 R68 I72 K96 H97 W99 | L59-I70 HydrophobicContact CD1-CB 4.17Å; L59-I70 HydrophobicContact CD1-CD1 4.11Å; L59-I70 HydrophobicContact CD1-CG2 3.84Å; L62-I70 HydrophobicContact CD1-CD1 3.47Å; L62-I70 VanDerWaalsContact CD1-CD1 3.47Å; L62-I70 HydrophobicContact CD1-CG1 3.92Å; L62-I70 HydrophobicContact CD1-CG2 3.94Å; R68-I70 PolarHBondContact O-N 2.97Å; I70-I72 PolarHBondContact O-N 2.85Å; I70-K96 CarbonylContact O-C 3.4Å; I70-K96 VanDerWaalsContact O-CA 3.24Å; I70-K96 WeakPolarHBondContact O-CA 3.47Å; I70-H97 PolarHBondContact N-O 2.88Å; I70-H97 PolarHBondContact O-N 2.86Å; I70-W99 HydrophobicContact CD1-CB 4.4Å; I70-W99 HydrophobicContact CD1-CE3 4.12Å |
| 71 | G | 89.6 | Confident | 89.1 | Confident | 56 Ų | 56 | 87.4 Ų | 87.4 | 58% | 0.577 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 126.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 72 | I | 88.5 | Confident | 89.8 | Confident | 55 Ų | 55 | 83.7 Ų | 83.7 | 28% | 0.282 | 43% | 0.43 | S | S | . | . | trans | -114.8 | 141 | 176.5 | 56 | 164.6 | 0 | 0 | 0 | 112.3 | L59 I70 Q95 H97 | L59-I72 HydrophobicContact CD1-CG2 3.93Å; I70-I72 PolarHBondContact O-N 2.85Å; I72-Q95 HydrophobicContact CD1-CB 4.34Å; I72-Q95 VanDerWaalsContact CG1-O 3.27Å; I72-Q95 WeakPolarHBondContact CG1-O 3.34Å; I72-H97 HydrophobicContact CD1-CB 4.37Å; I72-H97 HydrophobicContact CG1-CB 4.48Å; I72-H97 HydrophobicContact CG2-CB 3.42Å; I72-H97 VanDerWaalsContact CG2-CB 3.42Å | ||
| 73 | K | 87.8 | Confident | 90.4 | Very high | 135 Ų | 135 | 88 Ų | 88 | 59% | 0.587 | 45% | 0.446 | S | S | * | . | trans | -92.5 | 129.4 | 168.4 | -62 | -175.4 | -177.1 | -178.2 | 0 | 108.7 | Y58 | Y58-K73 HydrophobicContact CD2-CD 4.48Å; Y58-K73 HydrophobicContact CE2-CD 4.36Å | ||
| 74 | K | 89.1 | Confident | 90.9 | Very high | 89 Ų | 89 | 85 Ų | 85 | 39% | 0.387 | 43% | 0.429 | S | S | . | . | trans | -77.9 | 145.2 | 177.7 | -62.5 | -173.7 | -178 | -175.7 | 0 | 110.6 | G91 G92 H93 | K74-G91 WeakPolarHBondContact CD-O 3.39Å; K74-G91 PolarHBondContact NZ-O 3.41Å; K74-G92 PolarHBondContact NZ-O 3.06Å; K74-H93 VanDerWaalsContact CE-O 3.25Å; K74-H93 WeakPolarHBondContact CE-O 3.34Å; K74-H93 PolarHBondContact NZ-O 3.45Å | ||
| 75 | S | 89.5 | Confident | 91.1 | Very high | 82 Ų | 82 | 86.9 Ų | 86.9 | 57% | 0.573 | 43% | 0.432 | S | S | * | . | trans | -77.8 | -30.2 | 179.4 | 61.5 | 0 | 0 | 0 | 0 | 114.1 | G77 R78 | S75-G77 PolarHBondContact O-N 2.9Å; S75-G77 PolarHBondContact OG-N 2.94Å; S75-R78 PolarHBondContact O-N 2.87Å | ||
| 76 | G | 92.2 | Very high | 91.2 | Very high | 23 Ų | 23 | 87 Ų | 87 | 24% | 0.237 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65 | 22.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | R78 I89 | G76-R78 VanDerWaalsContact C-N 3.33Å; G76-I89 CarbonylContact C-O 3.54Å; G76-I89 VanDerWaalsContact O-O 3.12Å |
| 77 | G | 92.8 | Very high | 91.3 | Very high | 5 Ų | 5 | 94.1 Ų | 94.1 | 5% | 0.052 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | 10.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | S75 R85 T86 | S75-G77 PolarHBondContact O-N 2.9Å; S75-G77 PolarHBondContact OG-N 2.94Å; G77-R85 PolarHBondContact O-N 3.16Å; G77-T86 WeakPolarHBondContact CA-O 3.23Å; G77-T86 PolarHBondContact O-N 3.16Å; G77-T86 VanDerWaalsContact O-N 3.09Å |
| 78 | R | 92.2 | Very high | 91.4 | Very high | 148 Ų | 148 | 92.6 Ų | 92.6 | 56% | 0.558 | 46% | 0.46 | S | S | * | . | B | Isolated β-bridge | trans | -92.6 | 149.1 | 177 | -65 | 176.5 | 176.9 | 145.6 | -3 | 112 | S75 G76 G82 K83 I84 | S75-R78 PolarHBondContact O-N 2.87Å; G76-R78 VanDerWaalsContact C-N 3.33Å; R78-G82 WeakPolarHBondContact CD-O 3.45Å; R78-K83 VanDerWaalsContact CA-O 3.27Å; R78-K83 WeakPolarHBondContact CA-O 2.93Å; R78-I84 HydrophobicContact CG-CG1 4.22Å |
| 79 | D | 89.8 | Confident | 91.5 | Very high | 45 Ų | 45 | 86.5 Ų | 86.5 | 24% | 0.241 | 44% | 0.442 | C | S | . | . | trans | -88.7 | -171.9 | 172.4 | 71.3 | -11.6 | 0 | 0 | 0 | 111.8 | T81 G82 K83 R85 | D79-T81 PolarHBondContact O-N 2.88Å; D79-T81 PolarHBondContact OD1-N 3.43Å; D79-T81 PolarHBondContact OD1-OG1 2.8Å; D79-T81 PolarHBondContact OD2-OG1 3.21Å; D79-G82 PolarHBondContact O-N 3Å; D79-G82 PolarHBondContact OD1-N 2.89Å; D79-K83 PolarHBondContact N-O 2.81Å; D79-K83 PolarHBondContact OD1-N 3.14Å; D79-K83 VanDerWaalsContact OD1-O 3.11Å; D79-R85 HydrophobicContact CB-CB 4.38Å | ||
| 80 | H | 85.9 | Confident | 91.5 | Very high | 154 Ų | 154 | 84.1 Ų | 84.1 | 71% | 0.713 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -11.4 | 176.9 | 73.5 | -86 | 0 | 0 | 0 | 113.5 | L52 | L52-H80 WeakPolarHBondContact CB-O 3.46Š|
| 81 | T | 89.3 | Confident | 91.6 | Very high | 72 Ų | 72 | 85.5 Ų | 85.5 | 44% | 0.442 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -17.4 | 174.3 | 70.8 | 0 | 0 | 0 | 0 | 112.1 | L52 D79 | L52-T81 VanDerWaalsContact CD1-O 3.3Å; L52-T81 WeakPolarHBondContact CD1-O 3.42Å; D79-T81 PolarHBondContact O-N 2.88Å; D79-T81 PolarHBondContact OD1-N 3.43Å; D79-T81 PolarHBondContact OD1-OG1 2.8Å; D79-T81 PolarHBondContact OD2-OG1 3.21Å |
| 82 | G | 85.9 | Confident | 91.9 | Very high | 23 Ų | 23 | 84.3 Ų | 84.3 | 24% | 0.237 | 44% | 0.437 | C | S | . | . | S | Bend | trans | 101.2 | -4.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R78 D79 | R78-G82 WeakPolarHBondContact CD-O 3.45Å; D79-G82 PolarHBondContact O-N 3Å; D79-G82 PolarHBondContact OD1-N 2.89Å |
| 83 | K | 91.1 | Very high | 92.3 | Very high | 156 Ų | 156 | 88.3 Ų | 88.3 | 68% | 0.678 | 45% | 0.454 | S | S | * | . | trans | -76 | 145.1 | 178.1 | -63.8 | -179.3 | -178.7 | 179.8 | 0 | 108.9 | R78 D79 R85 | R78-K83 VanDerWaalsContact CA-O 3.27Å; R78-K83 WeakPolarHBondContact CA-O 2.93Å; D79-K83 PolarHBondContact N-O 2.81Å; D79-K83 PolarHBondContact OD1-N 3.14Å; D79-K83 VanDerWaalsContact OD1-O 3.11Å; K83-R85 PolarHBondContact O-N 2.93Å | ||
| 84 | I | 93.1 | Very high | 92.6 | Very high | 94 Ų | 94 | 91 Ų | 91 | 48% | 0.482 | 47% | 0.466 | S | S | . | . | B | Isolated β-bridge | trans | -72.6 | 111.1 | 175.8 | -62.8 | 173.7 | 0 | 0 | 0 | 107.7 | R78 R87 | R78-I84 HydrophobicContact CG-CG1 4.22Å; I84-R87 HydrophobicContact CG2-CG 4.25Å |
| 85 | R | 94.3 | Very high | 92.9 | Very high | 212 Ų | 212 | 89.2 Ų | 89.2 | 80% | 0.8 | 46% | 0.459 | S | S | * | . | trans | -93.1 | -37.4 | 175.2 | -171.4 | 173.2 | -178.3 | 176.2 | 1.6 | 111.8 | G77 D79 K83 | G77-R85 PolarHBondContact O-N 3.16Å; D79-R85 HydrophobicContact CB-CB 4.38Å; K83-R85 PolarHBondContact O-N 2.93Å | ||
| 86 | T | 95.3 | Very high | 93.1 | Very high | 77 Ų | 77 | 91.7 Ų | 91.7 | 47% | 0.472 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -122.7 | 118.6 | 179.1 | -51.2 | 0 | 0 | 0 | 0 | 109.5 | G77 I89 | G77-T86 WeakPolarHBondContact CA-O 3.23Å; G77-T86 PolarHBondContact O-N 3.16Å; G77-T86 VanDerWaalsContact O-N 3.09Å; T86-I89 HydrophobicContact CG2-CD1 3.64Å; T86-I89 HydrophobicContact CG2-CG1 4.31Å |
| 87 | R | 95.8 | Very high | 93.2 | Very high | 202 Ų | 202 | 92.3 Ų | 92.3 | 76% | 0.762 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | 163 | 177 | -59.5 | -178.3 | -175.7 | -169.4 | 0 | 110.4 | I84 I89 | I84-R87 HydrophobicContact CG2-CG 4.25Å; R87-I89 VanDerWaalsContact C-N 3.33Å; R87-I89 PolarHBondContact O-N 2.82Å |
| 88 | G | 95.8 | Very high | 93.3 | Very high | 28 Ų | 28 | 94.1 Ų | 94.1 | 29% | 0.289 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | -0 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | I262 R263 | G88-I262 CarbonylContact O-C 3.44Å; G88-I262 WeakPolarHBondContact O-CA 3.4Å; G88-R263 PolarHBondContact O-N 2.83Å |
| 89 | I | 96.6 | Very high | 93.4 | Very high | 72 Ų | 72 | 90.6 Ų | 90.6 | 37% | 0.369 | 45% | 0.448 | S | S | . | . | B | Isolated β-bridge | trans | -107.4 | 132.1 | 179.9 | -57.1 | 176.6 | 0 | 0 | 0 | 109.7 | G76 T86 R87 R263 | G76-I89 CarbonylContact C-O 3.54Å; G76-I89 VanDerWaalsContact O-O 3.12Å; T86-I89 HydrophobicContact CG2-CD1 3.64Å; T86-I89 HydrophobicContact CG2-CG1 4.31Å; R87-I89 VanDerWaalsContact C-N 3.33Å; R87-I89 PolarHBondContact O-N 2.82Å; I89-R263 WeakPolarHBondContact O-CD 3.29Å |
| 90 | G | 93.7 | Very high | 93.7 | Very high | 14 Ų | 14 | 88.8 Ų | 88.8 | 14% | 0.144 | 44% | 0.438 | C | S | . | . | trans | 156 | 155.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G261 | G90-G261 PolarHBondContact N-O 2.97Å; G90-G261 CarbonylContact O-C 3.59Å; G90-G261 WeakPolarHBondContact O-CA 3.33Å | ||
| 91 | G | 94.8 | Very high | 94.1 | Very high | 54 Ų | 54 | 82 Ų | 82 | 56% | 0.557 | 41% | 0.408 | S | S | * | . | trans | 72.6 | -136.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K74 | K74-G91 WeakPolarHBondContact CD-O 3.39Å; K74-G91 PolarHBondContact NZ-O 3.41Å | ||
| 92 | G | 96 | Very high | 94.5 | Very high | 30 Ų | 30 | 81.5 Ų | 81.5 | 31% | 0.309 | 40% | 0.399 | S | S | . | . | trans | 73.3 | 164 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | K74 R258 W259 | K74-G92 PolarHBondContact NZ-O 3.06Å; G92-R258 WeakPolarHBondContact CA-O 3.31Å; G92-R258 PolarHBondContact N-O 3.45Å; G92-W259 CarbonylContact C-O 3.55Å; G92-W259 WeakPolarHBondContact CA-O 3.49Å | ||
| 93 | H | 97.1 | Very high | 94.9 | Very high | 140 Ų | 140 | 82.9 Ų | 82.9 | 65% | 0.648 | 40% | 0.4 | S | S | * | . | trans | -61.1 | 146.9 | -177.7 | -167.8 | -85.4 | 0 | 0 | 0 | 111.8 | K74 W259 | K74-H93 VanDerWaalsContact CE-O 3.25Å; K74-H93 WeakPolarHBondContact CE-O 3.34Å; K74-H93 PolarHBondContact NZ-O 3.45Å; H93-W259 PolarHBondContact N-O 3.12Å | ||
| 94 | K | 95.4 | Very high | 95.1 | Very high | 191 Ų | 191 | 76 Ų | 76 | 83% | 0.83 | 37% | 0.369 | S | S | * | . | trans | -62.3 | 139.1 | 174.9 | -70.5 | -178 | 180 | 176.1 | 0 | 109.7 | ||||
| 95 | Q | 94.2 | Very high | 95.1 | Very high | 51 Ų | 51 | 73.1 Ų | 73.1 | 24% | 0.238 | 36% | 0.355 | C | S | . | . | trans | -129.6 | 148.1 | -176.7 | -68.8 | 173.5 | -23.3 | 0 | 0 | 109.5 | I72 P127 | I72-Q95 HydrophobicContact CD1-CB 4.34Å; I72-Q95 VanDerWaalsContact CG1-O 3.27Å; I72-Q95 WeakPolarHBondContact CG1-O 3.34Å; Q95-P127 HydrophobicContact CB-CG 4.43Å; Q95-P127 HydrophobicContact CG-CB 3.99Å; Q95-P127 HydrophobicContact CG-CG 4.32Å; Q95-P127 PolarHBondContact NE2-O 3Å; Q95-P127 VanDerWaalsContact NE2-O 3.08Å | ||
| 96 | K | 93.7 | Very high | 94.9 | Very high | 135 Ų | 135 | 67.4 Ų | 67.4 | 59% | 0.587 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109 | 134.4 | 167.8 | -61.7 | -174.8 | -177 | -179.8 | 0 | 107.6 | P69 I70 | P69-K96 HydrophobicContact CB-CB 3.65Å; P69-K96 HydrophobicContact CB-CD 3.81Å; P69-K96 HydrophobicContact CB-CG 4.37Å; I70-K96 CarbonylContact O-C 3.4Å; I70-K96 VanDerWaalsContact O-CA 3.24Å; I70-K96 WeakPolarHBondContact O-CA 3.47Å |
| 97 | H | 93.8 | Very high | 94.6 | Very high | 36 Ų | 36 | 66.7 Ų | 66.7 | 17% | 0.167 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 136.7 | 177.4 | -179.8 | 78.4 | 0 | 0 | 0 | 110.4 | L59 I70 I72 | L59-H97 HydrophobicContact CD1-CB 3.94Å; L59-H97 VanDerWaalsContact CD1-CD2 3.4Å; L59-H97 WeakPolarHBondContact CD1-CD2 3.02Å; I70-H97 PolarHBondContact N-O 2.88Å; I70-H97 PolarHBondContact O-N 2.86Å; I72-H97 HydrophobicContact CD1-CB 4.37Å; I72-H97 HydrophobicContact CG1-CB 4.48Å; I72-H97 HydrophobicContact CG2-CB 3.42Å; I72-H97 VanDerWaalsContact CG2-CB 3.42Å |
| 98 | R | 95.1 | Very high | 94.1 | Very high | 43 Ų | 43 | 58.4 Ų | 58.4 | 16% | 0.162 | 29% | 0.292 | C | S | . | . | trans | -106.5 | 122.9 | 168.4 | -65.4 | 177.6 | -173.4 | 109.7 | -11.1 | 108.8 | V100 Y125 D126 R129 I133 | R98-V100 PolarHBondContact O-N 2.74Å; R98-Y125 PolarHBondContact NH1-O 2.95Å; R98-D126 IonicContact NH1-OD1 3.04Å; R98-D126 PolarHBondContact NH1-OD1 3.05Å; R98-R129 PolarHBondContact O-NH2 2.82Å; R98-I133 HydrophobicContact CB-CD1 4.14Å; R98-I133 HydrophobicContact CG-CD1 4.41Å | ||
| 99 | W | 94.6 | Very high | 93.4 | Very high | 73 Ų | 73 | 62.3 Ų | 62.3 | 28% | 0.277 | 31% | 0.313 | S | S | . | . | trans | -69.7 | 111.7 | 179.9 | -157.5 | -25.8 | 0 | 0 | 0 | 108.5 | L62 K64 Y65 I70 | L62-W99 HydrophobicContact CB-CH2 4.11Å; L62-W99 HydrophobicContact CB-CZ3 3.69Å; L62-W99 HydrophobicContact CD1-CZ3 4.24Å; L62-W99 WeakPolarHBondContact O-CH2 3.38Å; K64-W99 WeakPolarHBondContact O-CZ3 3.18Å; Y65-W99 HydrophobicContact CD2-CB 4.25Å; Y65-W99 AromaticContact CD2-CD1 3.96Å; Y65-W99 AromaticContact CD2-CD2 3.93Å; Y65-W99 HydrophobicContact CD2-CD2 3.93Å; Y65-W99 HydrophobicContact CD2-CE3 4.45Å; Y65-W99 AromaticContact CD2-CG 3.8Å; Y65-W99 HydrophobicContact CD2-CG 3.8Å; Y65-W99 HydrophobicContact CE2-CB 3.9Å; Y65-W99 AromaticContact CE2-CD1 3.95Å; Y65-W99 HydrophobicContact CE2-CD2 4.44Å; Y65-W99 AromaticContact CE2-CG 3.83Å; Y65-W99 HydrophobicContact CE2-CG 3.83Å; Y65-W99 WeakPolarHBondContact CE2-O 3.32Å; Y65-W99 PolarHBondContact OH-O 2.81Å; I70-W99 HydrophobicContact CD1-CB 4.4Å; I70-W99 HydrophobicContact CD1-CE3 4.12Å | ||
| 100 | V | 96.1 | Very high | 92.7 | Very high | 7 Ų | 7 | 66.7 Ų | 66.7 | 4% | 0.042 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -98.3 | 133.7 | 177.5 | 168.4 | 0 | 0 | 0 | 0 | 109.7 | R98 F102 R129 I133 W144 V146 | R98-V100 PolarHBondContact O-N 2.74Å; V100-F102 HydrophobicContact CB-CE2 4.29Å; V100-F102 HydrophobicContact CB-CZ 4.17Å; V100-F102 HydrophobicContact CG1-CD1 4.13Å; V100-F102 HydrophobicContact CG1-CD2 4.5Å; V100-F102 HydrophobicContact CG1-CE1 3.81Å; V100-F102 HydrophobicContact CG1-CE2 4.22Å; V100-F102 HydrophobicContact CG1-CG 4.46Å; V100-F102 HydrophobicContact CG1-CZ 3.86Å; V100-F102 PolarHBondContact O-N 3.17Å; V100-R129 VanDerWaalsContact CG2-NH2 3.29Å; V100-I133 HydrophobicContact CG2-CG2 3.91Å; V100-W144 WeakPolarHBondContact CA-O 3.49Å; V100-W144 HydrophobicContact CG2-CB 3.93Å; V100-V146 HydrophobicContact CG1-CG2 4.23Å |
| 101 | D | 95.6 | Very high | 92 | Very high | 12 Ų | 12 | 70.4 Ų | 70.4 | 6% | 0.064 | 35% | 0.349 | C | S | . | . | trans | -86.2 | 107.2 | 173.6 | -167.2 | 14.1 | 0 | 0 | 0 | 109.9 | Q103 R106 R143 W144 | D101-Q103 VanDerWaalsContact C-N 3.31Å; D101-Q103 PolarHBondContact OD1-N 2.89Å; D101-R106 IonicContact OD1-CZ 3.77Å; D101-R106 IonicContact OD1-NH1 2.9Å; D101-R106 PolarHBondContact OD1-NH1 2.66Å; D101-R106 IonicContact OD1-NH2 3.07Å; D101-R106 PolarHBondContact OD1-NH2 3.24Å; D101-R106 IonicContact OD2-CZ 3.37Å; D101-R106 IonicContact OD2-NH1 3.06Å; D101-R106 PolarHBondContact OD2-NH1 3.42Å; D101-R106 IonicContact OD2-NH2 2.86Å; D101-R143 HydrophobicContact CB-CB 4.43Å; D101-R143 WeakPolarHBondContact OD2-CD 3.41Å; D101-R143 IonicContact OD2-CZ 3.61Å; D101-R143 IonicContact OD2-NH1 3.42Å; D101-R143 PolarHBondContact OD2-NH1 2.72Å; D101-W144 PolarHBondContact N-O 2.97Å | ||
| 102 | F | 96.3 | Very high | 91.4 | Very high | 62 Ų | 62 | 75.4 Ų | 75.4 | 27% | 0.272 | 36% | 0.358 | S | S | . | . | trans | -84.2 | -8.2 | 179.8 | -72.4 | -65.4 | 0 | 0 | 0 | 113.2 | V100 V146 S198 | V100-F102 HydrophobicContact CB-CE2 4.29Å; V100-F102 HydrophobicContact CB-CZ 4.17Å; V100-F102 HydrophobicContact CG1-CD1 4.13Å; V100-F102 HydrophobicContact CG1-CD2 4.5Å; V100-F102 HydrophobicContact CG1-CE1 3.81Å; V100-F102 HydrophobicContact CG1-CE2 4.22Å; V100-F102 HydrophobicContact CG1-CG 4.46Å; V100-F102 HydrophobicContact CG1-CZ 3.86Å; V100-F102 PolarHBondContact O-N 3.17Å; F102-V146 HydrophobicContact CD1-CG2 4.46Å; F102-V146 HydrophobicContact CE1-CG2 3.84Å; F102-S198 VanDerWaalsContact CB-OG 3.32Å; F102-S198 WeakPolarHBondContact CB-OG 3.36Å; F102-S198 WeakPolarHBondContact CD1-OG 3.34Å; F102-S198 WeakPolarHBondContact O-CB 3.39Å; F102-S198 PolarHBondContact O-N 3.03Å; F102-S198 PolarHBondContact O-OG 2.86Å | ||
| 103 | Q | 95.1 | Very high | 90.7 | Very high | 52 Ų | 52 | 76.2 Ų | 76.2 | 24% | 0.243 | 37% | 0.366 | C | S | . | . | trans | -99 | 96.6 | 176.1 | -173.6 | -176.3 | 8 | 0 | 0 | 108.7 | D101 L105 R143 | D101-Q103 VanDerWaalsContact C-N 3.31Å; D101-Q103 PolarHBondContact OD1-N 2.89Å; Q103-L105 WeakPolarHBondContact CG-O 3.5Å; Q103-L105 PolarHBondContact NE2-O 3.31Å; Q103-R143 PolarHBondContact O-NH1 2.75Å; Q103-R143 VanDerWaalsContact O-NH1 3.08Å | ||
| 104 | R | 94.1 | Very high | 90.2 | Very high | 11 Ų | 11 | 75.5 Ų | 75.5 | 4% | 0.042 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -63 | -49.4 | -179.4 | -69.7 | -71 | -70.8 | 133.5 | -4 | 111.1 | R106 E118 R143 T159 A175 I235 | R104-R106 PolarHBondContact O-N 2.76Å; R104-R106 VanDerWaalsContact O-N 3.08Å; R104-E118 IonicContact CZ-OE2 3.88Å; R104-E118 IonicContact NH1-OE2 3.93Å; R104-E118 PolarHBondContact NH1-OE2 2.8Å; R104-R143 PolarHBondContact O-NH1 3.06Å; R104-R143 PolarHBondContact O-NH2 2.9Å; R104-T159 PolarHBondContact NH2-OG1 2.77Å; R104-A175 HydrophobicContact CB-CB 3.73Å; R104-A175 HydrophobicContact CG-CB 4.09Å; R104-I235 HydrophobicContact CB-CG2 4.2Å |
| 105 | L | 93.9 | Very high | 90 | Very high | 34 Ų | 34 | 69.7 Ų | 69.7 | 18% | 0.178 | 35% | 0.345 | C | S | . | . | trans | -79.9 | 89.7 | 175.5 | -165.6 | 73.7 | 0 | 0 | 0 | 110.7 | Q103 Y107 F116 T159 I235 | Q103-L105 WeakPolarHBondContact CG-O 3.5Å; Q103-L105 PolarHBondContact NE2-O 3.31Å; L105-Y107 HydrophobicContact CD1-CE1 3.85Å; L105-Y107 HydrophobicContact CD1-CE2 4.36Å; L105-Y107 WeakPolarHBondContact CD1-OH 3.45Å; L105-Y107 HydrophobicContact CD2-CE2 4.3Å; L105-Y107 HydrophobicContact CG-CE2 4.19Å; L105-F116 HydrophobicContact CD1-CE1 4.33Å; L105-T159 HydrophobicContact CB-CG2 4.35Å; L105-T159 HydrophobicContact CD1-CG2 3.76Å; L105-I235 HydrophobicContact CB-CD1 4.09Å; L105-I235 HydrophobicContact CB-CG1 3.78Å; L105-I235 HydrophobicContact CB-CG2 4.39Å; L105-I235 HydrophobicContact CD2-CD1 3.8Å; L105-I235 HydrophobicContact CD2-CG1 3.97Å; L105-I235 HydrophobicContact CG-CD1 4.44Å | ||
| 106 | R | 91.3 | Very high | 90 | Very high | 92 Ų | 92 | 69.2 Ų | 69.2 | 35% | 0.347 | 34% | 0.342 | S | S | . | . | trans | -130.1 | 115.5 | 167.3 | -177.5 | 177.6 | -67.5 | 145.1 | 11.5 | 106.8 | D101 R104 R141 | D101-R106 IonicContact OD1-CZ 3.77Å; D101-R106 IonicContact OD1-NH1 2.9Å; D101-R106 PolarHBondContact OD1-NH1 2.66Å; D101-R106 IonicContact OD1-NH2 3.07Å; D101-R106 PolarHBondContact OD1-NH2 3.24Å; D101-R106 IonicContact OD2-CZ 3.37Å; D101-R106 IonicContact OD2-NH1 3.06Å; D101-R106 PolarHBondContact OD2-NH1 3.42Å; D101-R106 IonicContact OD2-NH2 2.86Å; R104-R106 PolarHBondContact O-N 2.76Å; R104-R106 VanDerWaalsContact O-N 3.08Å; R106-R141 PolarHBondContact O-NH1 2.87Å; R106-R141 PolarHBondContact O-NH2 3.25Å | ||
| 107 | Y | 87.9 | Confident | 90.1 | Very high | 61 Ų | 61 | 68.2 Ų | 68.2 | 24% | 0.239 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 155.5 | 178.6 | -60.7 | -66.1 | 0 | 0 | 0 | 111.1 | L105 K111 Q114 F116 | L105-Y107 HydrophobicContact CD1-CE1 3.85Å; L105-Y107 HydrophobicContact CD1-CE2 4.36Å; L105-Y107 WeakPolarHBondContact CD1-OH 3.45Å; L105-Y107 HydrophobicContact CD2-CE2 4.3Å; L105-Y107 HydrophobicContact CG-CE2 4.19Å; Y107-K111 WeakPolarHBondContact CD1-O 3.22Å; Y107-Q114 WeakPolarHBondContact CE1-O 3.16Å; Y107-F116 HydrophobicContact CD1-CD1 4.01Å; Y107-F116 AromaticContact CD1-CE1 3.96Å; Y107-F116 HydrophobicContact CD1-CE1 3.96Å; Y107-F116 HydrophobicContact CE1-CD1 4.17Å; Y107-F116 HydrophobicContact CE1-CE1 4.13Å |
| 108 | E | 85.3 | Confident | 90.2 | Very high | 29 Ų | 29 | 66.6 Ų | 66.6 | 14% | 0.136 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 154.1 | 162.5 | -69.3 | -174.4 | 153.2 | 0 | 0 | 108.8 | N110 K111 N140 | E108-N110 PolarHBondContact O-N 3.09Å; E108-K111 HydrophobicContact CB-CD 4.37Å; E108-K111 PolarHBondContact O-N 3.14Å; E108-K111 VanDerWaalsContact O-N 3.14Å; E108-K111 IonicContact OE2-NZ 2.82Å; E108-K111 PolarHBondContact OE2-NZ 3.45Å; E108-N140 PolarHBondContact OE1-N 3.06Å |
| 109 | P | 81.9 | Confident | 90.3 | Very high | 110 Ų | 110 | 70.4 Ų | 70.4 | 71% | 0.714 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 135.1 | 170.6 | -21.7 | 31.8 | 0 | 0 | 0 | 109.9 | K111 | P109-K111 VanDerWaalsContact C-N 3.32Å; P109-K111 PolarHBondContact O-N 3.12Å |
| 110 | N | 80.4 | Confident | 90.5 | Very high | 163 Ų | 163 | 67 Ų | 67 | 87% | 0.872 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 7.2 | 179.7 | -46.4 | -30.6 | 0 | 0 | 0 | 116.8 | E108 | E108-N110 PolarHBondContact O-N 3.09Š|
| 111 | K | 80.4 | Confident | 90.6 | Very high | 93 Ų | 93 | 70 Ų | 70 | 40% | 0.404 | 36% | 0.355 | S | S | . | . | trans | -121.9 | 34.4 | 176.4 | -63 | -177.1 | -174 | 162.6 | 0 | 113 | Y107 E108 P109 | Y107-K111 WeakPolarHBondContact CD1-O 3.22Å; E108-K111 HydrophobicContact CB-CD 4.37Å; E108-K111 PolarHBondContact O-N 3.14Å; E108-K111 VanDerWaalsContact O-N 3.14Å; E108-K111 IonicContact OE2-NZ 2.82Å; E108-K111 PolarHBondContact OE2-NZ 3.45Å; P109-K111 VanDerWaalsContact C-N 3.32Å; P109-K111 PolarHBondContact O-N 3.12Å | ||
| 112 | E | 82.3 | Confident | 90.7 | Very high | 158 Ų | 158 | 72 Ų | 72 | 74% | 0.738 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | 141.8 | -177.6 | -61.1 | -172.8 | 175.4 | 0 | 0 | 111.3 | Q114 | E112-Q114 PolarHBondContact O-N 3.17Š|
| 113 | G | 79.9 | Confident | 90.8 | Very high | 48 Ų | 48 | 71.7 Ų | 71.7 | 50% | 0.495 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | -10.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 114 | Q | 86.4 | Confident | 90.9 | Very high | 125 Ų | 125 | 74.9 Ų | 74.9 | 58% | 0.584 | 38% | 0.377 | S | S | * | . | trans | -92.2 | 134.3 | 178.5 | -66.3 | -177.3 | -4.6 | 0 | 0 | 112.1 | Y107 E112 | Y107-Q114 WeakPolarHBondContact CE1-O 3.16Å; E112-Q114 PolarHBondContact O-N 3.17Å | ||
| 115 | P | 91.8 | Very high | 91.1 | Very high | 68 Ų | 68 | 80.9 Ų | 80.9 | 44% | 0.442 | 40% | 0.401 | S | S | . | . | trans | -61.7 | 143.1 | 169 | 28.4 | -33.8 | 0 | 0 | 0 | 109.8 | T159 | P115-T159 WeakPolarHBondContact CA-O 3.21Š| ||
| 116 | F | 94.1 | Very high | 91.3 | Very high | 42 Ų | 42 | 79.2 Ų | 79.2 | 18% | 0.184 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 153.2 | 178.2 | 62.9 | -92.6 | 0 | 0 | 0 | 111.2 | L105 Y107 E118 R141 T159 | L105-F116 HydrophobicContact CD1-CE1 4.33Å; Y107-F116 HydrophobicContact CD1-CD1 4.01Å; Y107-F116 AromaticContact CD1-CE1 3.96Å; Y107-F116 HydrophobicContact CD1-CE1 3.96Å; Y107-F116 HydrophobicContact CE1-CD1 4.17Å; Y107-F116 HydrophobicContact CE1-CE1 4.13Å; F116-E118 HydrophobicContact CD2-CG 3.87Å; F116-E118 HydrophobicContact CE2-CG 3.9Å; F116-R141 VanDerWaalsContact CZ-NH2 3.31Å; F116-T159 HydrophobicContact CE1-CG2 4.02Å; F116-T159 HydrophobicContact CE2-CG2 4.23Å; F116-T159 HydrophobicContact CZ-CG2 3.66Å; F116-T159 PolarHBondContact N-O 3.42Å; F116-T159 PolarHBondContact O-N 2.99Å |
| 117 | E | 95.3 | Very high | 91.5 | Very high | 113 Ų | 113 | 76.6 Ų | 76.6 | 53% | 0.528 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 141.6 | -179 | -66.5 | 175.8 | -174.1 | 0 | 0 | 109.7 | I156 I157 K158 | E117-I156 HydrophobicContact CB-CG2 3.92Å; E117-I156 HydrophobicContact CG-CG2 4.35Å; E117-I157 CarbonylContact C-O 3.56Å; E117-I157 WeakPolarHBondContact CA-O 3.29Å; E117-K158 HydrophobicContact CG-CB 4.39Å; E117-K158 HydrophobicContact CG-CG 4.28Å |
| 118 | E | 96.8 | Very high | 91.9 | Very high | 2 Ų | 2 | 76 Ų | 76 | 1% | 0.009 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 132.8 | 179.7 | -62.8 | -177.9 | 143.1 | 0 | 0 | 108.9 | R104 F116 L136 R141 R143 I157 | R104-E118 IonicContact CZ-OE2 3.88Å; R104-E118 IonicContact NH1-OE2 3.93Å; R104-E118 PolarHBondContact NH1-OE2 2.8Å; F116-E118 HydrophobicContact CD2-CG 3.87Å; F116-E118 HydrophobicContact CE2-CG 3.9Å; E118-L136 HydrophobicContact CB-CB 4.14Å; E118-L136 HydrophobicContact CB-CD2 3.93Å; E118-L136 HydrophobicContact CB-CG 4.3Å; E118-L136 VanDerWaalsContact OE2-CD2 3.3Å; E118-L136 WeakPolarHBondContact OE2-CD2 3.02Å; E118-R141 IonicContact OE1-NE 3.99Å; E118-R141 IonicContact OE1-NH2 3.03Å; E118-R143 IonicContact OE1-CZ 2.82Å; E118-R143 IonicContact OE1-NE 3.21Å; E118-R143 PolarHBondContact OE1-NE 3.08Å; E118-R143 IonicContact OE1-NH2 2.9Å; E118-R143 PolarHBondContact OE1-NH2 3.48Å; E118-R143 IonicContact OE2-CZ 3.58Å; E118-R143 IonicContact OE2-NE 3.05Å; E118-R143 PolarHBondContact OE2-NE 3.03Å; E118-R143 IonicContact OE2-NH2 3.21Å; E118-R143 PolarHBondContact OE2-NH2 3.07Å; E118-I157 PolarHBondContact N-O 3.26Å; E118-I157 PolarHBondContact O-N 2.95Å |
| 119 | K | 97.8 | Very high | 92.4 | Very high | 124 Ų | 124 | 77.1 Ų | 77.1 | 54% | 0.539 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 133.9 | 175.1 | -173 | 173.3 | -177.9 | 173.6 | 0 | 110.3 | V121 L136 A137 D155 | K119-V121 PolarHBondContact O-N 2.86Å; K119-L136 WeakPolarHBondContact O-CA 3.08Å; K119-A137 PolarHBondContact N-O 3.42Å; K119-A137 PolarHBondContact O-N 3.23Å; K119-D155 CarbonylContact C-O 3.56Å; K119-D155 WeakPolarHBondContact CA-O 3.27Å |
| 120 | V | 98.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 73.6 Ų | 73.6 | 1% | 0.006 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 120.6 | 171.8 | -175.4 | 0 | 0 | 0 | 0 | 108.9 | V123 A134 L136 M151 Q152 G154 D155 I157 | V120-V123 HydrophobicContact CG1-CG2 4.05Å; V120-A134 HydrophobicContact CG1-CB 4.3Å; V120-L136 HydrophobicContact CG2-CD1 4.32Å; V120-L136 HydrophobicContact CG2-CG 4.44Å; V120-M151 HydrophobicContact CG1-CG 4.27Å; V120-M151 HydrophobicContact CG2-CG 3.87Å; V120-M151 HydrophobicContact CG2-SD 4.01Å; V120-Q152 VanDerWaalsContact CB-O 3.29Å; V120-Q152 WeakPolarHBondContact CB-O 3.29Å; V120-Q152 VanDerWaalsContact CG1-O 3.23Å; V120-Q152 WeakPolarHBondContact CG1-O 3.41Å; V120-G154 PolarHBondContact O-N 2.89Å; V120-D155 HydrophobicContact CB-CB 4.4Å; V120-D155 HydrophobicContact CG2-CB 4.03Å; V120-D155 PolarHBondContact N-O 2.87Å; V120-I157 HydrophobicContact CG2-CD1 3.3Å; V120-I157 HydrophobicContact CG2-CG1 3.97Å |
| 121 | V | 97.8 | Very high | 94 | Very high | 70 Ų | 70 | 65.8 Ų | 65.8 | 42% | 0.424 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -51.8 | 179.1 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | K119 L135 A137 | K119-V121 PolarHBondContact O-N 2.86Å; V121-L135 HydrophobicContact CB-CB 4.35Å; V121-L135 HydrophobicContact CB-CD2 4.29Å; V121-L135 HydrophobicContact CB-CG 4.27Å; V121-L135 WeakPolarHBondContact CB-O 3.47Å; V121-L135 HydrophobicContact CG1-CD2 4.29Å; V121-L135 PolarHBondContact N-O 3.44Å; V121-A137 HydrophobicContact CG2-CB 3.61Å |
| 122 | E | 97.7 | Very high | 94.9 | Very high | 54 Ų | 54 | 63.1 Ų | 63.1 | 25% | 0.252 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 148.3 | 179.8 | 58.4 | 172.5 | -177.4 | 0 | 0 | 111.1 | R124 A134 L135 W144 | E122-R124 VanDerWaalsContact CD-CD 3.45Å; E122-R124 HydrophobicContact CG-CG 4.18Å; E122-R124 WeakPolarHBondContact OE1-CD 3.44Å; E122-R124 IonicContact OE1-CZ 2.87Å; E122-R124 IonicContact OE1-NE 3.82Å; E122-R124 IonicContact OE1-NH1 2.84Å; E122-R124 PolarHBondContact OE1-NH1 3.02Å; E122-R124 WeakPolarHBondContact OE2-CD 3.4Å; E122-R124 IonicContact OE2-CZ 3.91Å; E122-R124 IonicContact OE2-NE 3.51Å; E122-R124 PolarHBondContact OE2-NE 3.39Å; E122-R124 IonicContact OE2-NH1 2.95Å; E122-R124 PolarHBondContact OE2-NH1 2.9Å; E122-A134 CarbonylContact O-C 3.59Å; E122-A134 WeakPolarHBondContact O-CA 3.26Å; E122-L135 HydrophobicContact CG-CB 3.78Å; E122-L135 HydrophobicContact CG-CD2 4.18Å; E122-L135 PolarHBondContact O-N 3.02Å; E122-W144 HydrophobicContact CG-CH2 4.4Å; E122-W144 WeakPolarHBondContact OE1-CH2 3.43Å |
| 123 | V | 97.9 | Very high | 95.6 | Very high | 56 Ų | 56 | 55.6 Ų | 55.6 | 34% | 0.339 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 130.5 | 169.6 | -177.7 | 0 | 0 | 0 | 0 | 108.2 | V120 D132 I133 A134 A147 M151 | V120-V123 HydrophobicContact CG1-CG2 4.05Å; V123-D132 HydrophobicContact CG1-CB 4.32Å; V123-I133 CarbonylContact C-O 3.59Å; V123-I133 WeakPolarHBondContact CA-O 3.28Å; V123-A134 HydrophobicContact CG2-CB 4.17Å; V123-A147 HydrophobicContact CG1-CB 4.05Å; V123-M151 HydrophobicContact CG2-CG 4.37Å |
| 124 | R | 97.6 | Very high | 96.5 | Very high | 119 Ų | 119 | 53.3 Ų | 53.3 | 45% | 0.449 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 153.9 | -173.5 | -62.7 | -170.6 | 108.4 | 144.9 | -1.2 | 112.8 | E122 I133 | E122-R124 VanDerWaalsContact CD-CD 3.45Å; E122-R124 HydrophobicContact CG-CG 4.18Å; E122-R124 WeakPolarHBondContact OE1-CD 3.44Å; E122-R124 IonicContact OE1-CZ 2.87Å; E122-R124 IonicContact OE1-NE 3.82Å; E122-R124 IonicContact OE1-NH1 2.84Å; E122-R124 PolarHBondContact OE1-NH1 3.02Å; E122-R124 WeakPolarHBondContact OE2-CD 3.4Å; E122-R124 IonicContact OE2-CZ 3.91Å; E122-R124 IonicContact OE2-NE 3.51Å; E122-R124 PolarHBondContact OE2-NE 3.39Å; E122-R124 IonicContact OE2-NH1 2.95Å; E122-R124 PolarHBondContact OE2-NH1 2.9Å; R124-I133 PolarHBondContact N-O 2.82Å; R124-I133 WeakPolarHBondContact O-CG1 2.91Å; R124-I133 PolarHBondContact O-N 2.94Å |
| 125 | Y | 97.8 | Very high | 97.1 | Very high | 136 Ų | 136 | 48 Ų | 48 | 53% | 0.533 | 24% | 0.237 | S | C | . | . | trans | -64.9 | 137.3 | 168.4 | 173.8 | -106.9 | 0 | 0 | 0 | 112.9 | R98 P127 | R98-Y125 PolarHBondContact NH1-O 2.95Å; Y125-P127 HydrophobicContact CE1-CB 4.05Å | ||
| 126 | D | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -117.9 | 123.6 | 171.8 | -167.7 | 62.8 | 0 | 0 | 0 | 113.5 | R98 C128 R129 I133 | R98-D126 IonicContact NH1-OD1 3.04Å; R98-D126 PolarHBondContact NH1-OD1 3.05Å; D126-C128 VanDerWaalsContact C-N 3.27Å; D126-C128 PolarHBondContact O-N 3.29Å; D126-C128 WeakPolarHBondContact OD2-CB 3.28Å; D126-C128 PolarHBondContact OD2-N 2.81Å; D126-C128 VanDerWaalsContact OD2-N 3.15Å; D126-R129 HydrophobicContact CB-CG 4.04Å; D126-R129 IonicContact OD1-NH1 3.48Å; D126-R129 IonicContact OD2-CZ 3.63Å; D126-R129 IonicContact OD2-NE 3.6Å; D126-R129 IonicContact OD2-NH1 3.56Å; D126-R129 PolarHBondContact OD2-NH1 2.96Å; D126-R129 IonicContact OD2-NH2 2.78Å; D126-I133 HydrophobicContact CB-CD1 3.99Å; D126-I133 HydrophobicContact CB-CG1 4.11Å; D126-I133 HydrophobicContact CB-CG2 4.15Å | ||
| 127 | P | 96.4 | Very high | 97.4 | Very high | 36 Ų | 36 | 44 Ų | 44 | 23% | 0.234 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -9.6 | -178.6 | 32 | -37.1 | 0 | 0 | 0 | 114.3 | Q95 Y125 | Q95-P127 HydrophobicContact CB-CG 4.43Å; Q95-P127 HydrophobicContact CG-CB 3.99Å; Q95-P127 HydrophobicContact CG-CG 4.32Å; Q95-P127 PolarHBondContact NE2-O 3Å; Q95-P127 VanDerWaalsContact NE2-O 3.08Å; Y125-P127 HydrophobicContact CE1-CB 4.05Å |
| 128 | C | 96.2 | Very high | 97.3 | Very high | 49 Ų | 49 | 39.4 Ų | 39.4 | 33% | 0.331 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -7.3 | -176.5 | -65.1 | 0 | 0 | 0 | 0 | 113.7 | D126 | D126-C128 VanDerWaalsContact C-N 3.27Å; D126-C128 PolarHBondContact O-N 3.29Å; D126-C128 WeakPolarHBondContact OD2-CB 3.28Å; D126-C128 PolarHBondContact OD2-N 2.81Å; D126-C128 VanDerWaalsContact OD2-N 3.15Å |
| 129 | R | 96.6 | Very high | 97 | Very high | 53 Ų | 53 | 42.2 Ų | 42.2 | 20% | 0.2 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -145.8 | 170 | 179.1 | 64.6 | -168.3 | 65.9 | 95.4 | 2.6 | 110.1 | R98 V100 D126 A131 | R98-R129 PolarHBondContact O-NH2 2.82Å; V100-R129 VanDerWaalsContact CG2-NH2 3.29Å; D126-R129 HydrophobicContact CB-CG 4.04Å; D126-R129 IonicContact OD1-NH1 3.48Å; D126-R129 IonicContact OD2-CZ 3.63Å; D126-R129 IonicContact OD2-NE 3.6Å; D126-R129 IonicContact OD2-NH1 3.56Å; D126-R129 PolarHBondContact OD2-NH1 2.96Å; D126-R129 IonicContact OD2-NH2 2.78Å; R129-A131 WeakPolarHBondContact CG-O 3.38Å |
| 130 | S | 97.9 | Very high | 96.7 | Very high | 35 Ų | 35 | 43.9 Ų | 43.9 | 25% | 0.245 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -81.4 | -33.7 | 177.9 | 50.2 | 0 | 0 | 0 | 0 | 113 | A204 N243 | S130-A204 PolarHBondContact OG-N 3.15Å; S130-N243 PolarHBondContact O-ND2 3.47Å; S130-N243 VanDerWaalsContact O-ND2 3.11Å |
| 131 | A | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -76.5 | 154.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | R129 V146 A204 V241 | R129-A131 WeakPolarHBondContact CG-O 3.38Å; A131-V146 HydrophobicContact CB-CG1 4Å; A131-A204 HydrophobicContact CB-CB 4.43Å; A131-V241 HydrophobicContact CB-CG1 3.38Å |
| 132 | D | 98.2 | Very high | 96.3 | Very high | 36 Ų | 36 | 48.5 Ų | 48.5 | 19% | 0.193 | 26% | 0.258 | C | S | . | . | trans | -80 | 162.9 | 171.4 | -61.1 | -42.9 | 0 | 0 | 0 | 110.5 | V123 A147 S242 | V123-D132 HydrophobicContact CG1-CB 4.32Å; D132-A147 PolarHBondContact O-N 3.33Å; D132-S242 PolarHBondContact N-OG 2.97Å; D132-S242 PolarHBondContact O-OG 3.01Å | ||
| 133 | I | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 149 | 179.4 | 56.3 | 176.4 | 0 | 0 | 0 | 111.5 | R98 V100 V123 R124 D126 W144 I145 | R98-I133 HydrophobicContact CB-CD1 4.14Å; R98-I133 HydrophobicContact CG-CD1 4.41Å; V100-I133 HydrophobicContact CG2-CG2 3.91Å; V123-I133 CarbonylContact C-O 3.59Å; V123-I133 WeakPolarHBondContact CA-O 3.28Å; R124-I133 PolarHBondContact N-O 2.82Å; R124-I133 WeakPolarHBondContact O-CG1 2.91Å; R124-I133 PolarHBondContact O-N 2.94Å; D126-I133 HydrophobicContact CB-CD1 3.99Å; D126-I133 HydrophobicContact CB-CG1 4.11Å; D126-I133 HydrophobicContact CB-CG2 4.15Å; I133-W144 HydrophobicContact CB-CE3 4.11Å; I133-W144 HydrophobicContact CD1-CD2 3.89Å; I133-W144 HydrophobicContact CD1-CE3 3.51Å; I133-W144 HydrophobicContact CD1-CG 4.44Å; I133-W144 HydrophobicContact CD1-CZ3 3.86Å; I133-W144 HydrophobicContact CG1-CE3 3.77Å; I133-W144 HydrophobicContact CG1-CZ3 3.95Å; I133-I145 VanDerWaalsContact CA-O 3.26Å; I133-I145 WeakPolarHBondContact CA-O 3.34Å; I133-I145 VanDerWaalsContact CB-O 3.32Å; I133-I145 WeakPolarHBondContact CB-O 3.24Å |
| 134 | A | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 135.4 | 175 | 0 | 0 | 0 | 0 | 0 | 109.8 | V120 E122 V123 L136 W144 I145 A147 M151 | V120-A134 HydrophobicContact CG1-CB 4.3Å; E122-A134 CarbonylContact O-C 3.59Å; E122-A134 WeakPolarHBondContact O-CA 3.26Å; V123-A134 HydrophobicContact CG2-CB 4.17Å; A134-L136 HydrophobicContact CB-CD1 3.53Å; A134-W144 WeakPolarHBondContact O-CA 3.42Å; A134-I145 HydrophobicContact CB-CG1 4.16Å; A134-I145 PolarHBondContact N-O 3.39Å; A134-I145 PolarHBondContact O-N 2.9Å; A134-A147 HydrophobicContact CB-CB 4.06Å; A134-M151 HydrophobicContact CB-SD 3.42Å; A134-M151 WeakPolarHBondContact CB-SD 3.48Å |
| 135 | L | 98.1 | Very high | 96.3 | Very high | 15 Ų | 15 | 38.5 Ų | 38.5 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 118.5 | 167.2 | -176.6 | 60.9 | 0 | 0 | 0 | 108 | I67 V121 E122 K142 W144 | I67-L135 HydrophobicContact CG2-CD1 3.77Å; V121-L135 HydrophobicContact CB-CB 4.35Å; V121-L135 HydrophobicContact CB-CD2 4.29Å; V121-L135 HydrophobicContact CB-CG 4.27Å; V121-L135 WeakPolarHBondContact CB-O 3.47Å; V121-L135 HydrophobicContact CG1-CD2 4.29Å; V121-L135 PolarHBondContact N-O 3.44Å; E122-L135 HydrophobicContact CG-CB 3.78Å; E122-L135 HydrophobicContact CG-CD2 4.18Å; E122-L135 PolarHBondContact O-N 3.02Å; L135-K142 HydrophobicContact CD1-CB 4.28Å; L135-W144 HydrophobicContact CB-CD2 4.43Å; L135-W144 HydrophobicContact CB-CE3 3.85Å; L135-W144 HydrophobicContact CB-CH2 3.74Å; L135-W144 HydrophobicContact CB-CZ2 4.33Å; L135-W144 HydrophobicContact CB-CZ3 3.5Å; L135-W144 VanDerWaalsContact CB-CZ3 3.5Å; L135-W144 HydrophobicContact CD1-CD2 4.1Å; L135-W144 HydrophobicContact CD1-CE3 4.36Å; L135-W144 HydrophobicContact CD1-CH2 4.45Å; L135-W144 HydrophobicContact CD1-CZ2 4.19Å; L135-W144 HydrophobicContact CD2-CH2 4.39Å; L135-W144 HydrophobicContact CD2-CZ2 4.47Å; L135-W144 HydrophobicContact CG-CH2 4.42Å |
| 136 | L | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 145.9 | 176.8 | -82.2 | 61 | 0 | 0 | 0 | 109.4 | E118 K119 V120 A134 K142 R143 I145 I157 | E118-L136 HydrophobicContact CB-CB 4.14Å; E118-L136 HydrophobicContact CB-CD2 3.93Å; E118-L136 HydrophobicContact CB-CG 4.3Å; E118-L136 VanDerWaalsContact OE2-CD2 3.3Å; E118-L136 WeakPolarHBondContact OE2-CD2 3.02Å; K119-L136 WeakPolarHBondContact O-CA 3.08Å; V120-L136 HydrophobicContact CG2-CD1 4.32Å; V120-L136 HydrophobicContact CG2-CG 4.44Å; A134-L136 HydrophobicContact CB-CD1 3.53Å; L136-K142 CarbonylContact O-C 3.43Å; L136-K142 WeakPolarHBondContact O-CA 3.29Å; L136-R143 PolarHBondContact N-O 2.84Å; L136-R143 PolarHBondContact O-N 2.95Å; L136-I145 HydrophobicContact CD1-CD1 3.69Å; L136-I145 HydrophobicContact CD1-CG1 3.56Å; L136-I145 HydrophobicContact CD2-CD1 3.42Å; L136-I145 VanDerWaalsContact CD2-CD1 3.42Å; L136-I145 HydrophobicContact CD2-CG1 4.05Å; L136-I145 HydrophobicContact CD2-CG2 4.44Å; L136-I145 HydrophobicContact CG-CD1 4.21Å; L136-I145 HydrophobicContact CG-CG1 4.43Å; L136-I157 HydrophobicContact CD2-CD1 4.03Å; L136-I157 HydrophobicContact CG-CD1 4.47Å |
| 137 | A | 96.8 | Very high | 96.3 | Very high | 25 Ų | 25 | 32.3 Ų | 32.3 | 21% | 0.207 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 129 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | K119 V121 K142 | K119-A137 PolarHBondContact N-O 3.42Å; K119-A137 PolarHBondContact O-N 3.23Å; V121-A137 HydrophobicContact CG2-CB 3.61Å; A137-K142 HydrophobicContact CB-CD 4.44Å; A137-K142 HydrophobicContact CB-CG 3.87Å |
| 138 | G | 92.9 | Very high | 96.4 | Very high | 16 Ų | 16 | 30.7 Ų | 30.7 | 17% | 0.165 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 139.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | N140 R141 | G138-N140 PolarHBondContact O-N 3.08Å; G138-N140 VanDerWaalsContact O-N 3.16Å; G138-R141 PolarHBondContact N-O 2.87Å; G138-R141 VanDerWaalsContact N-O 3.14Å; G138-R141 WeakPolarHBondContact O-CG 3.42Å; G138-R141 PolarHBondContact O-N 2.82Å; G138-R141 VanDerWaalsContact O-N 3.16Å |
| 139 | G | 89.4 | Confident | 96.4 | Very high | 61 Ų | 61 | 31.7 Ų | 31.7 | 63% | 0.629 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53 | -120.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 140 | N | 91.1 | Very high | 96.4 | Very high | 159 Ų | 159 | 36 Ų | 36 | 85% | 0.85 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | 11.1 | -175.6 | -68.2 | -13.5 | 0 | 0 | 0 | 113.4 | E108 G138 | E108-N140 PolarHBondContact OE1-N 3.06Å; G138-N140 PolarHBondContact O-N 3.08Å; G138-N140 VanDerWaalsContact O-N 3.16Å |
| 141 | R | 93.2 | Very high | 96.4 | Very high | 52 Ų | 52 | 35.2 Ų | 35.2 | 20% | 0.196 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 156.6 | -175.9 | 68.7 | -177.5 | -171.5 | -168.3 | -2 | 112.9 | R106 F116 E118 G138 | R106-R141 PolarHBondContact O-NH1 2.87Å; R106-R141 PolarHBondContact O-NH2 3.25Å; F116-R141 VanDerWaalsContact CZ-NH2 3.31Å; E118-R141 IonicContact OE1-NE 3.99Å; E118-R141 IonicContact OE1-NH2 3.03Å; G138-R141 PolarHBondContact N-O 2.87Å; G138-R141 VanDerWaalsContact N-O 3.14Å; G138-R141 WeakPolarHBondContact O-CG 3.42Å; G138-R141 PolarHBondContact O-N 2.82Å; G138-R141 VanDerWaalsContact O-N 3.16Å |
| 142 | K | 95.9 | Very high | 96.3 | Very high | 117 Ų | 117 | 41.5 Ų | 41.5 | 51% | 0.509 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 140.3 | 169.4 | -60.1 | 179.5 | -176.6 | 179.5 | 0 | 109.3 | I67 L135 L136 A137 | I67-K142 HydrophobicContact CD1-CB 3.58Å; I67-K142 WeakPolarHBondContact CD1-O 3.2Å; I67-K142 HydrophobicContact CG1-CB 4.38Å; I67-K142 WeakPolarHBondContact CG1-O 3.4Å; L135-K142 HydrophobicContact CD1-CB 4.28Å; L136-K142 CarbonylContact O-C 3.43Å; L136-K142 WeakPolarHBondContact O-CA 3.29Å; A137-K142 HydrophobicContact CB-CD 4.44Å; A137-K142 HydrophobicContact CB-CG 3.87Å |
| 143 | R | 96.8 | Very high | 96.2 | Very high | 6 Ų | 6 | 43 Ų | 43 | 2% | 0.023 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 152.4 | -178.9 | 59.9 | -177.5 | 177.4 | 162 | 3.1 | 112.6 | Y65 D101 Q103 R104 E118 L136 I145 | Y65-R143 HydrophobicContact CE1-CB 4.11Å; Y65-R143 VanDerWaalsContact OH-CA 3.31Å; Y65-R143 WeakPolarHBondContact OH-CA 3.46Å; D101-R143 HydrophobicContact CB-CB 4.43Å; D101-R143 WeakPolarHBondContact OD2-CD 3.41Å; D101-R143 IonicContact OD2-CZ 3.61Å; D101-R143 IonicContact OD2-NH1 3.42Å; D101-R143 PolarHBondContact OD2-NH1 2.72Å; Q103-R143 PolarHBondContact O-NH1 2.75Å; Q103-R143 VanDerWaalsContact O-NH1 3.08Å; R104-R143 PolarHBondContact O-NH1 3.06Å; R104-R143 PolarHBondContact O-NH2 2.9Å; E118-R143 IonicContact OE1-CZ 2.82Å; E118-R143 IonicContact OE1-NE 3.21Å; E118-R143 PolarHBondContact OE1-NE 3.08Å; E118-R143 IonicContact OE1-NH2 2.9Å; E118-R143 PolarHBondContact OE1-NH2 3.48Å; E118-R143 IonicContact OE2-CZ 3.58Å; E118-R143 IonicContact OE2-NE 3.05Å; E118-R143 PolarHBondContact OE2-NE 3.03Å; E118-R143 IonicContact OE2-NH2 3.21Å; E118-R143 PolarHBondContact OE2-NH2 3.07Å; L136-R143 PolarHBondContact N-O 2.84Å; L136-R143 PolarHBondContact O-N 2.95Å; R143-I145 HydrophobicContact CG-CG2 4.43Å |
| 144 | W | 97.8 | Very high | 96.2 | Very high | 10 Ų | 10 | 44.8 Ų | 44.8 | 4% | 0.038 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 130.5 | 172.4 | -67.1 | 109.5 | 0 | 0 | 0 | 109 | Y65 I67 V100 D101 E122 I133 A134 L135 | Y65-W144 PolarHBondContact OH-N 2.89Å; I67-W144 HydrophobicContact CG2-CZ2 4.26Å; I67-W144 VanDerWaalsContact CG2-NE1 3.34Å; I67-W144 PolarHBondContact O-NE1 3.14Å; V100-W144 WeakPolarHBondContact CA-O 3.49Å; V100-W144 HydrophobicContact CG2-CB 3.93Å; D101-W144 PolarHBondContact N-O 2.97Å; E122-W144 HydrophobicContact CG-CH2 4.4Å; E122-W144 WeakPolarHBondContact OE1-CH2 3.43Å; I133-W144 HydrophobicContact CB-CE3 4.11Å; I133-W144 HydrophobicContact CD1-CD2 3.89Å; I133-W144 HydrophobicContact CD1-CE3 3.51Å; I133-W144 HydrophobicContact CD1-CG 4.44Å; I133-W144 HydrophobicContact CD1-CZ3 3.86Å; I133-W144 HydrophobicContact CG1-CE3 3.77Å; I133-W144 HydrophobicContact CG1-CZ3 3.95Å; A134-W144 WeakPolarHBondContact O-CA 3.42Å; L135-W144 HydrophobicContact CB-CD2 4.43Å; L135-W144 HydrophobicContact CB-CE3 3.85Å; L135-W144 HydrophobicContact CB-CH2 3.74Å; L135-W144 HydrophobicContact CB-CZ2 4.33Å; L135-W144 HydrophobicContact CB-CZ3 3.5Å; L135-W144 VanDerWaalsContact CB-CZ3 3.5Å; L135-W144 HydrophobicContact CD1-CD2 4.1Å; L135-W144 HydrophobicContact CD1-CE3 4.36Å; L135-W144 HydrophobicContact CD1-CH2 4.45Å; L135-W144 HydrophobicContact CD1-CZ2 4.19Å; L135-W144 HydrophobicContact CD2-CH2 4.39Å; L135-W144 HydrophobicContact CD2-CZ2 4.47Å; L135-W144 HydrophobicContact CG-CH2 4.42Å |
| 145 | I | 97.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.015 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 169.8 | 169 | 70.2 | 166.3 | 0 | 0 | 0 | 110 | I133 A134 L136 R143 M151 | I133-I145 VanDerWaalsContact CA-O 3.26Å; I133-I145 WeakPolarHBondContact CA-O 3.34Å; I133-I145 VanDerWaalsContact CB-O 3.32Å; I133-I145 WeakPolarHBondContact CB-O 3.24Å; A134-I145 HydrophobicContact CB-CG1 4.16Å; A134-I145 PolarHBondContact N-O 3.39Å; A134-I145 PolarHBondContact O-N 2.9Å; L136-I145 HydrophobicContact CD1-CD1 3.69Å; L136-I145 HydrophobicContact CD1-CG1 3.56Å; L136-I145 HydrophobicContact CD2-CD1 3.42Å; L136-I145 VanDerWaalsContact CD2-CD1 3.42Å; L136-I145 HydrophobicContact CD2-CG1 4.05Å; L136-I145 HydrophobicContact CD2-CG2 4.44Å; L136-I145 HydrophobicContact CG-CD1 4.21Å; L136-I145 HydrophobicContact CG-CG1 4.43Å; R143-I145 HydrophobicContact CG-CG2 4.43Å; I145-M151 HydrophobicContact CD1-CE 4.32Å |
| 146 | V | 97.9 | Very high | 96.1 | Very high | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.03 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 128 | 167 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | V100 F102 A131 V241 | V100-V146 HydrophobicContact CG1-CG2 4.23Å; F102-V146 HydrophobicContact CD1-CG2 4.46Å; F102-V146 HydrophobicContact CE1-CG2 3.84Å; A131-V146 HydrophobicContact CB-CG1 4Å; V146-V241 HydrophobicContact CG1-CG1 3.7Å |
| 147 | A | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 144.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V123 D132 A134 M151 S242 | V123-A147 HydrophobicContact CG1-CB 4.05Å; D132-A147 PolarHBondContact O-N 3.33Å; A134-A147 HydrophobicContact CB-CB 4.06Å; A147-M151 HydrophobicContact CB-SD 4.28Å; A147-S242 VanDerWaalsContact O-CB 3.27Å; A147-S242 WeakPolarHBondContact O-CB 3.13Å; A147-S242 PolarHBondContact O-N 3.26Å; A147-S242 PolarHBondContact O-OG 3.26Å |
| 148 | T | 98.1 | Very high | 96 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.012 | 30% | 0.302 | C | S | . | . | B | Isolated β-bridge | trans | -84 | 172 | 168.9 | 58.4 | 0 | 0 | 0 | 0 | 110.9 | M151 E172 T237 R240 S242 | T148-M151 HydrophobicContact CG2-CE 4.11Å; T148-M151 VanDerWaalsContact OG1-CE 3.28Å; T148-M151 WeakPolarHBondContact OG1-CE 3.07Å; T148-E172 WeakPolarHBondContact CB-OE1 3.23Å; T148-E172 HydrophobicContact CG2-CG 4.42Å; T148-T237 HydrophobicContact CG2-CG2 3.94Å; T148-R240 CarbonylContact C-O 3.57Å; T148-R240 WeakPolarHBondContact CA-O 3.38Å; T148-R240 WeakPolarHBondContact CB-O 3.36Å; T148-S242 WeakPolarHBondContact O-CB 3.4Å |
| 149 | E | 97 | Very high | 96.2 | Very high | 70 Ų | 70 | 54.4 Ų | 54.4 | 33% | 0.327 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -47.4 | -172.1 | 175 | -177.8 | 153.5 | 0 | 0 | 112.7 | E172 R240 I244 | E149-E172 WeakPolarHBondContact CA-OE1 3.46Å; E149-E172 VanDerWaalsContact CB-OE1 3.26Å; E149-E172 WeakPolarHBondContact CB-OE1 3.41Å; E149-E172 PolarHBondContact N-OE1 3.35Å; E149-R240 HydrophobicContact CB-CB 4.28Å; E149-R240 PolarHBondContact N-O 3.3Å; E149-R240 WeakPolarHBondContact OE2-CB 3.44Å; E149-R240 WeakPolarHBondContact OE2-CD 3.47Å; E149-R240 IonicContact OE2-CZ 3.86Å; E149-R240 IonicContact OE2-NE 3.74Å; E149-R240 IonicContact OE2-NH1 3.6Å; E149-I244 HydrophobicContact CG-CD1 3.52Å; E149-I244 HydrophobicContact CG-CG1 3.89Å; E149-I244 WeakPolarHBondContact OE1-CD1 3.24Å; E149-I244 VanDerWaalsContact OE2-CD1 3.29Å; E149-I244 WeakPolarHBondContact OE2-CD1 3.17Å |
| 150 | K | 96.2 | Very high | 96.4 | Very high | 145 Ų | 145 | 51.8 Ų | 51.8 | 63% | 0.63 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 11.5 | -175.6 | -61.5 | -176.6 | -177.2 | 177.5 | 0 | 114.7 | Q152 E172 | K150-Q152 PolarHBondContact O-N 3.05Å; K150-E172 WeakPolarHBondContact CB-OE2 3.32Å; K150-E172 WeakPolarHBondContact CD-OE2 3.35Å; K150-E172 WeakPolarHBondContact CG-OE2 3.42Å; K150-E172 PolarHBondContact N-OE1 2.82Å; K150-E172 VanDerWaalsContact N-OE1 3.13Å |
| 151 | M | 96.7 | Very high | 96.5 | Very high | 17 Ų | 17 | 45.5 Ų | 45.5 | 8% | 0.084 | 24% | 0.24 | C | C | . | . | trans | -70.1 | 124.7 | -176.2 | -166.2 | 171.9 | -70 | 0 | 0 | 111.2 | V120 V123 A134 I145 A147 T148 I157 | V120-M151 HydrophobicContact CG1-CG 4.27Å; V120-M151 HydrophobicContact CG2-CG 3.87Å; V120-M151 HydrophobicContact CG2-SD 4.01Å; V123-M151 HydrophobicContact CG2-CG 4.37Å; A134-M151 HydrophobicContact CB-SD 3.42Å; A134-M151 WeakPolarHBondContact CB-SD 3.48Å; I145-M151 HydrophobicContact CD1-CE 4.32Å; A147-M151 HydrophobicContact CB-SD 4.28Å; T148-M151 HydrophobicContact CG2-CE 4.11Å; T148-M151 VanDerWaalsContact OG1-CE 3.28Å; T148-M151 WeakPolarHBondContact OG1-CE 3.07Å; M151-I157 HydrophobicContact CE-CD1 3.28Å; M151-I157 HydrophobicContact CE-CG1 4.4Å; M151-I157 HydrophobicContact CG-CD1 4.31Å; M151-I157 HydrophobicContact SD-CD1 3.72Å | ||
| 152 | Q | 96.7 | Very high | 96.6 | Very high | 132 Ų | 132 | 46.8 Ų | 46.8 | 62% | 0.617 | 25% | 0.253 | S | S | * | . | trans | -120.3 | 163.3 | 178.1 | -60.4 | -172.5 | 16.1 | 0 | 0 | 111.6 | V120 K150 D155 | V120-Q152 VanDerWaalsContact CB-O 3.29Å; V120-Q152 WeakPolarHBondContact CB-O 3.29Å; V120-Q152 VanDerWaalsContact CG1-O 3.23Å; V120-Q152 WeakPolarHBondContact CG1-O 3.41Å; K150-Q152 PolarHBondContact O-N 3.05Å; Q152-D155 PolarHBondContact N-OD2 2.86Å | ||
| 153 | A | 97.3 | Very high | 96.5 | Very high | 68 Ų | 68 | 44.4 Ų | 44.4 | 56% | 0.562 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | 130.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 154 | G | 96.9 | Very high | 96.3 | Very high | 37 Ų | 37 | 46 Ų | 46 | 38% | 0.381 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 106.5 | -22.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | V120 | V120-G154 PolarHBondContact O-N 2.89Š|
| 155 | D | 97.3 | Very high | 96.1 | Very high | 64 Ų | 64 | 57.6 Ų | 57.6 | 34% | 0.342 | 31% | 0.307 | S | S | . | . | trans | -60.7 | 145.3 | -178.3 | -65.8 | -11.2 | 0 | 0 | 0 | 112 | K119 V120 Q152 | K119-D155 CarbonylContact C-O 3.56Å; K119-D155 WeakPolarHBondContact CA-O 3.27Å; V120-D155 HydrophobicContact CB-CB 4.4Å; V120-D155 HydrophobicContact CG2-CB 4.03Å; V120-D155 PolarHBondContact N-O 2.87Å; Q152-D155 PolarHBondContact N-OD2 2.86Å | ||
| 156 | I | 96.8 | Very high | 96 | Very high | 116 Ų | 116 | 65 Ų | 65 | 60% | 0.595 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 122.5 | 174.1 | -58.9 | 172.9 | 0 | 0 | 0 | 107.7 | E117 | E117-I156 HydrophobicContact CB-CG2 3.92Å; E117-I156 HydrophobicContact CG-CG2 4.35Å |
| 157 | I | 96.6 | Very high | 95.9 | Very high | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 132.9 | -177.9 | -61.7 | 167.8 | 0 | 0 | 0 | 109.4 | E117 E118 V120 L136 M151 G173 | E117-I157 CarbonylContact C-O 3.56Å; E117-I157 WeakPolarHBondContact CA-O 3.29Å; E118-I157 PolarHBondContact N-O 3.26Å; E118-I157 PolarHBondContact O-N 2.95Å; V120-I157 HydrophobicContact CG2-CD1 3.3Å; V120-I157 HydrophobicContact CG2-CG1 3.97Å; L136-I157 HydrophobicContact CD2-CD1 4.03Å; L136-I157 HydrophobicContact CG-CD1 4.47Å; M151-I157 HydrophobicContact CE-CD1 3.28Å; M151-I157 HydrophobicContact CE-CG1 4.4Å; M151-I157 HydrophobicContact CG-CD1 4.31Å; M151-I157 HydrophobicContact SD-CD1 3.72Å; I157-G173 VanDerWaalsContact CG2-C 3.46Å; I157-G173 WeakPolarHBondContact CG2-O 3.4Å |
| 158 | K | 96 | Very high | 95.7 | Very high | 74 Ų | 74 | 69.8 Ų | 69.8 | 32% | 0.322 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 136.6 | 178.9 | -168.7 | 162.3 | 179.7 | 165.8 | 0 | 111.6 | E117 D174 A175 | E117-K158 HydrophobicContact CG-CB 4.39Å; E117-K158 HydrophobicContact CG-CG 4.28Å; K158-D174 PolarHBondContact N-OD1 3.09Å; K158-D174 CarbonylContact O-C 3.56Å; K158-D174 VanDerWaalsContact O-CA 3.29Å; K158-D174 WeakPolarHBondContact O-CA 3.5Å; K158-A175 PolarHBondContact O-N 3.4Å |
| 159 | T | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 124.1 | 170.2 | -59.5 | 0 | 0 | 0 | 0 | 109 | R104 L105 P115 F116 A175 | R104-T159 PolarHBondContact NH2-OG1 2.77Å; L105-T159 HydrophobicContact CB-CG2 4.35Å; L105-T159 HydrophobicContact CD1-CG2 3.76Å; P115-T159 WeakPolarHBondContact CA-O 3.21Å; F116-T159 HydrophobicContact CE1-CG2 4.02Å; F116-T159 HydrophobicContact CE2-CG2 4.23Å; F116-T159 HydrophobicContact CZ-CG2 3.66Å; F116-T159 PolarHBondContact N-O 3.42Å; F116-T159 PolarHBondContact O-N 2.99Å; T159-A175 WeakPolarHBondContact CA-O 3.36Å; T159-A175 HydrophobicContact CG2-CB 4.06Å |
| 160 | S | 95.1 | Very high | 95.4 | Very high | 7 Ų | 7 | 73 Ų | 73 | 5% | 0.049 | 41% | 0.41 | C | S | . | . | trans | -137.2 | 147.3 | 175.2 | 78.4 | 0 | 0 | 0 | 0 | 111.7 | A175 Y176 P177 | S160-A175 PolarHBondContact N-O 3.09Å; S160-Y176 WeakPolarHBondContact OG-CD1 3.39Å; S160-Y176 WeakPolarHBondContact OG-CE1 3.43Å; S160-P177 VanDerWaalsContact O-CD 3.28Å; S160-P177 WeakPolarHBondContact O-CD 3.3Å | ||
| 161 | G | 93.4 | Very high | 95.4 | Very high | 27 Ų | 27 | 71.5 Ų | 71.5 | 28% | 0.278 | 41% | 0.41 | S | S | . | . | trans | -103.8 | 5.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 162 | V | 93.3 | Very high | 95.4 | Very high | 79 Ų | 79 | 73.6 Ų | 73.6 | 48% | 0.479 | 42% | 0.419 | S | S | . | . | trans | -86.8 | 133.2 | -172.7 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 163 | I | 94.6 | Very high | 95.4 | Very high | 66 Ų | 66 | 67.4 Ų | 67.4 | 34% | 0.338 | 39% | 0.39 | S | S | . | . | trans | -101.7 | 104.7 | 173.2 | -57.9 | 170.8 | 0 | 0 | 0 | 107.6 | P177 E232 T233 | I163-P177 HydrophobicContact CD1-CB 4.3Å; I163-P177 HydrophobicContact CD1-CG 4.45Å; I163-P177 HydrophobicContact CG1-CB 3.91Å; I163-P177 HydrophobicContact CG1-CG 3.54Å; I163-E232 HydrophobicContact CD1-CG 4.05Å; I163-T233 HydrophobicContact CD1-CG2 3.87Å | ||
| 164 | G | 92.2 | Very high | 95.4 | Very high | 39 Ų | 39 | 64.6 Ų | 64.6 | 40% | 0.402 | 37% | 0.366 | S | S | . | . | trans | -80 | 162 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | M166 | G164-M166 VanDerWaalsContact C-N 3.29Å; G164-M166 PolarHBondContact O-N 2.91Å | ||
| 165 | R | 93.7 | Very high | 95.4 | Very high | 255 Ų | 255 | 62.9 Ų | 62.9 | 96% | 0.962 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -63.9 | -36.1 | 173 | -171.1 | 179.1 | -167 | -95.7 | 1.4 | 112.1 | ||
| 166 | M | 95.7 | Very high | 95.4 | Very high | 158 Ų | 158 | 60.5 Ų | 60.5 | 78% | 0.778 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -100.2 | 148.2 | 176.8 | -64.2 | 178.8 | 71.4 | 0 | 0 | 110.3 | G164 | G164-M166 VanDerWaalsContact C-N 3.29Å; G164-M166 PolarHBondContact O-N 2.91Å |
| 167 | A | 95.1 | Very high | 95.5 | Very high | 61 Ų | 61 | 55 Ų | 55 | 50% | 0.504 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 142.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A180 P182 | A167-A180 WeakPolarHBondContact CA-O 3.42Å; A167-P182 HydrophobicContact CB-CB 4.11Å; A167-P182 HydrophobicContact CB-CG 4.46Å |
| 168 | V | 95.8 | Very high | 95.5 | Very high | 45 Ų | 45 | 54.8 Ų | 54.8 | 27% | 0.273 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -89.3 | 132.8 | 179.1 | -178.7 | 0 | 0 | 0 | 0 | 110 | A170 Y176 A180 P182 | V168-A170 PolarHBondContact O-N 2.85Å; V168-A170 VanDerWaalsContact O-N 3.15Å; V168-Y176 HydrophobicContact CB-CE1 4.42Å; V168-Y176 HydrophobicContact CG1-CE1 3.91Å; V168-Y176 HydrophobicContact CG1-CE2 4.4Å; V168-Y176 HydrophobicContact CG2-CE1 4.41Å; V168-A180 HydrophobicContact CG2-CB 4.38Å; V168-A180 PolarHBondContact N-O 2.93Å; V168-P182 VanDerWaalsContact O-CD 3.25Å; V168-P182 WeakPolarHBondContact O-CD 3.38Å |
| 169 | S | 94.1 | Very high | 95.5 | Very high | 115 Ų | 115 | 51.7 Ų | 51.7 | 80% | 0.804 | 29% | 0.294 | S | S | * | . | trans | -75.9 | 96.3 | 165.4 | -174.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 170 | A | 94.4 | Very high | 95.6 | Very high | 24 Ų | 24 | 51.7 Ų | 51.7 | 20% | 0.198 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -92 | 139 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V168 Y176 L181 V238 | V168-A170 PolarHBondContact O-N 2.85Å; V168-A170 VanDerWaalsContact O-N 3.15Å; A170-Y176 HydrophobicContact CB-CD2 3.73Å; A170-Y176 HydrophobicContact CB-CE2 3.61Å; A170-L181 HydrophobicContact CB-CD2 3.75Å; A170-V238 HydrophobicContact CB-CB 4.32Å; A170-V238 HydrophobicContact CB-CG1 4.31Å; A170-V238 HydrophobicContact CB-CG2 3.73Å |
| 171 | N | 96.3 | Very high | 95.7 | Very high | 114 Ų | 114 | 51.4 Ų | 51.4 | 61% | 0.61 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -82.7 | 162.8 | 172.4 | -65.5 | -36.3 | 0 | 0 | 0 | 110.6 | G173 D174 | N171-G173 PolarHBondContact O-N 3.5Å; N171-D174 WeakPolarHBondContact CB-OD2 3.41Å; N171-D174 PolarHBondContact N-OD2 3.5Å; N171-D174 WeakPolarHBondContact O-CB 3.26Å; N171-D174 PolarHBondContact O-N 3.12Å |
| 172 | E | 96.6 | Very high | 95.9 | Very high | 61 Ų | 61 | 52.4 Ų | 52.4 | 29% | 0.285 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 134.4 | 175.3 | 178.3 | 169.7 | -178.6 | 0 | 0 | 111.1 | T148 E149 K150 D174 | T148-E172 WeakPolarHBondContact CB-OE1 3.23Å; T148-E172 HydrophobicContact CG2-CG 4.42Å; E149-E172 WeakPolarHBondContact CA-OE1 3.46Å; E149-E172 VanDerWaalsContact CB-OE1 3.26Å; E149-E172 WeakPolarHBondContact CB-OE1 3.41Å; E149-E172 PolarHBondContact N-OE1 3.35Å; K150-E172 WeakPolarHBondContact CB-OE2 3.32Å; K150-E172 WeakPolarHBondContact CD-OE2 3.35Å; K150-E172 WeakPolarHBondContact CG-OE2 3.42Å; K150-E172 PolarHBondContact N-OE1 2.82Å; K150-E172 VanDerWaalsContact N-OE1 3.13Å; E172-D174 VanDerWaalsContact C-N 3.33Å |
| 173 | G | 95.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95 | -22.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | I157 N171 T237 V238 | I157-G173 VanDerWaalsContact CG2-C 3.46Å; I157-G173 WeakPolarHBondContact CG2-O 3.4Å; N171-G173 PolarHBondContact O-N 3.5Å; G173-T237 WeakPolarHBondContact O-CG2 3.48Å; G173-V238 PolarHBondContact N-O 2.94Å |
| 174 | D | 97.4 | Very high | 96.2 | Very high | 10 Ų | 10 | 52 Ų | 52 | 5% | 0.053 | 30% | 0.304 | C | S | . | . | trans | -65.9 | 149.1 | 176.6 | -66.8 | -21.9 | 0 | 0 | 0 | 111.7 | K158 N171 E172 Y176 T237 V238 | K158-D174 PolarHBondContact N-OD1 3.09Å; K158-D174 CarbonylContact O-C 3.56Å; K158-D174 VanDerWaalsContact O-CA 3.29Å; K158-D174 WeakPolarHBondContact O-CA 3.5Å; N171-D174 WeakPolarHBondContact CB-OD2 3.41Å; N171-D174 PolarHBondContact N-OD2 3.5Å; N171-D174 WeakPolarHBondContact O-CB 3.26Å; N171-D174 PolarHBondContact O-N 3.12Å; E172-D174 VanDerWaalsContact C-N 3.33Å; D174-Y176 HydrophobicContact CB-CD2 3.92Å; D174-Y176 HydrophobicContact CB-CE2 3.46Å; D174-Y176 VanDerWaalsContact CB-CE2 3.46Å; D174-T237 CarbonylContact O-C 3.54Å; D174-T237 WeakPolarHBondContact O-CA 3.42Å; D174-V238 PolarHBondContact O-N 3.28Å | ||
| 175 | A | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 124.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R104 K158 T159 S160 I235 V236 | R104-A175 HydrophobicContact CB-CB 3.73Å; R104-A175 HydrophobicContact CG-CB 4.09Å; K158-A175 PolarHBondContact O-N 3.4Å; T159-A175 WeakPolarHBondContact CA-O 3.36Å; T159-A175 HydrophobicContact CG2-CB 4.06Å; S160-A175 PolarHBondContact N-O 3.09Å; A175-I235 HydrophobicContact CB-CG2 4.26Å; A175-V236 VanDerWaalsContact CA-O 3.23Å; A175-V236 WeakPolarHBondContact CA-O 3.4Å |
| 176 | Y | 97.3 | Very high | 96.7 | Very high | 14 Ų | 14 | 42.8 Ų | 42.8 | 6% | 0.055 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 158 | -175.9 | -72.6 | -83.6 | 0 | 0 | 0 | 110.4 | S160 V168 A170 D174 L181 V236 | S160-Y176 WeakPolarHBondContact OG-CD1 3.39Å; S160-Y176 WeakPolarHBondContact OG-CE1 3.43Å; V168-Y176 HydrophobicContact CB-CE1 4.42Å; V168-Y176 HydrophobicContact CG1-CE1 3.91Å; V168-Y176 HydrophobicContact CG1-CE2 4.4Å; V168-Y176 HydrophobicContact CG2-CE1 4.41Å; A170-Y176 HydrophobicContact CB-CD2 3.73Å; A170-Y176 HydrophobicContact CB-CE2 3.61Å; D174-Y176 HydrophobicContact CB-CD2 3.92Å; D174-Y176 HydrophobicContact CB-CE2 3.46Å; D174-Y176 VanDerWaalsContact CB-CE2 3.46Å; Y176-L181 HydrophobicContact CD2-CD2 4.18Å; Y176-L181 HydrophobicContact CG-CD2 4.25Å; Y176-V236 PolarHBondContact N-O 3.21Å; Y176-V236 WeakPolarHBondContact O-CG2 3.11Å; Y176-V236 PolarHBondContact O-N 3.24Å |
| 177 | P | 97.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 147.9 | 166.5 | 28.5 | -33.7 | 0 | 0 | 0 | 110.1 | S160 I163 G179 A180 C234 I235 | S160-P177 VanDerWaalsContact O-CD 3.28Å; S160-P177 WeakPolarHBondContact O-CD 3.3Å; I163-P177 HydrophobicContact CD1-CB 4.3Å; I163-P177 HydrophobicContact CD1-CG 4.45Å; I163-P177 HydrophobicContact CG1-CB 3.91Å; I163-P177 HydrophobicContact CG1-CG 3.54Å; P177-G179 PolarHBondContact O-N 2.66Å; P177-G179 VanDerWaalsContact O-N 3.16Å; P177-A180 HydrophobicContact CG-CB 3.86Å; P177-A180 PolarHBondContact O-N 3.32Å; P177-C234 WeakPolarHBondContact CA-O 3.29Å; P177-I235 HydrophobicContact CB-CD1 4.12Å |
| 178 | L | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -54.7 | -34.4 | 177.3 | -74.9 | 169.1 | 0 | 0 | 0 | 112.7 | A180 L181 L190 L210 K213 A218 V220 V230 E232 C234 V236 | L178-A180 VanDerWaalsContact C-N 3.25Å; L178-A180 PolarHBondContact O-N 3.02Å; L178-L181 PolarHBondContact O-N 3.13Å; L178-L190 HydrophobicContact CD1-CD1 3.85Å; L178-L210 HydrophobicContact CD2-CD1 4.31Å; L178-K213 WeakPolarHBondContact O-CE 3.48Å; L178-K213 PolarHBondContact O-NZ 3.36Å; L178-A218 HydrophobicContact CB-CB 3.73Å; L178-A218 HydrophobicContact CD1-CB 3.82Å; L178-A218 HydrophobicContact CG-CB 4.28Å; L178-V220 HydrophobicContact CD1-CG2 4.03Å; L178-V220 HydrophobicContact CD2-CG2 3.9Å; L178-V230 HydrophobicContact CD1-CB 4.37Å; L178-V230 HydrophobicContact CD1-CG1 4.48Å; L178-E232 PolarHBondContact N-O 3.11Å; L178-C234 HydrophobicContact CD1-CB 4.31Å; L178-C234 PolarHBondContact N-O 2.92Å; L178-V236 HydrophobicContact CD1-CG1 4.28Å; L178-V236 HydrophobicContact CD2-CB 4.32Å; L178-V236 HydrophobicContact CD2-CG1 3.61Å; L178-V236 HydrophobicContact CD2-CG2 3.74Å; L178-V236 HydrophobicContact CG-CG1 3.79Å; L178-V236 HydrophobicContact CG-CG2 4.2Å |
| 179 | G | 96.9 | Very high | 97 | Very high | 9 Ų | 9 | 30.6 Ų | 30.6 | 9% | 0.093 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -61.4 | -28 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | P177 K213 E232 | P177-G179 PolarHBondContact O-N 2.66Å; P177-G179 VanDerWaalsContact O-N 3.16Å; G179-K213 VanDerWaalsContact C-NZ 3.35Å; G179-K213 PolarHBondContact O-NZ 3.32Å; G179-E232 PolarHBondContact N-O 3.13Å |
| 180 | A | 97.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -86.5 | -18.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A167 V168 P177 L178 | A167-A180 WeakPolarHBondContact CA-O 3.42Å; V168-A180 HydrophobicContact CG2-CB 4.38Å; V168-A180 PolarHBondContact N-O 2.93Å; P177-A180 HydrophobicContact CG-CB 3.86Å; P177-A180 PolarHBondContact O-N 3.32Å; L178-A180 VanDerWaalsContact C-N 3.25Å; L178-A180 PolarHBondContact O-N 3.02Å |
| 181 | L | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -87 | 146.1 | -173.5 | -67.3 | 177.2 | 0 | 0 | 0 | 112.9 | A170 Y176 L178 T185 V187 L210 K213 V236 V238 | A170-L181 HydrophobicContact CB-CD2 3.75Å; Y176-L181 HydrophobicContact CD2-CD2 4.18Å; Y176-L181 HydrophobicContact CG-CD2 4.25Å; L178-L181 PolarHBondContact O-N 3.13Å; L181-T185 HydrophobicContact CB-CG2 4.48Å; L181-V187 HydrophobicContact CD1-CG1 3.83Å; L181-L210 HydrophobicContact CB-CD2 4.1Å; L181-K213 VanDerWaalsContact O-CE 3.22Å; L181-K213 WeakPolarHBondContact O-CE 3.33Å; L181-K213 PolarHBondContact O-NZ 3.32Å; L181-V236 HydrophobicContact CD1-CG2 3.46Å; L181-V236 VanDerWaalsContact CD1-CG2 3.46Å; L181-V238 HydrophobicContact CD1-CG2 3.81Å; L181-V238 HydrophobicContact CD2-CG2 3.61Å; L181-V238 HydrophobicContact CG-CG2 4.39Å |
| 182 | P | 97.6 | Very high | 97.2 | Very high | 49 Ų | 49 | 19.7 Ų | 19.7 | 32% | 0.318 | 12% | 0.122 | S | C | . | . | P | Polyproline II helix | trans | -65.6 | 152.6 | 171.9 | 18.7 | -23.1 | 0 | 0 | 0 | 111.8 | A167 V168 T185 | A167-P182 HydrophobicContact CB-CB 4.11Å; A167-P182 HydrophobicContact CB-CG 4.46Å; V168-P182 VanDerWaalsContact O-CD 3.25Å; V168-P182 WeakPolarHBondContact O-CD 3.38Å; P182-T185 HydrophobicContact CB-CG2 4.29Å; P182-T185 HydrophobicContact CG-CG2 3.53Å; P182-T185 WeakPolarHBondContact O-CB 3.34Å; P182-T185 WeakPolarHBondContact O-CG2 3.16Å; P182-T185 PolarHBondContact O-N 3.2Å; P182-T185 PolarHBondContact O-OG1 2.83Å |
| 183 | V | 97.4 | Very high | 97.1 | Very high | 89 Ų | 89 | 20.1 Ų | 20.1 | 54% | 0.539 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 143.2 | 173.2 | 174.1 | 0 | 0 | 0 | 0 | 109.6 | T185 L211 | V183-T185 VanDerWaalsContact C-N 3.33Å; V183-L211 WeakPolarHBondContact CG1-O 3.42Å |
| 184 | G | 97.3 | Very high | 97.1 | Very high | 47 Ų | 47 | 23.1 Ų | 23.1 | 49% | 0.485 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | -3.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L210 | G184-L210 WeakPolarHBondContact CA-O 3.45Å; G184-L210 PolarHBondContact N-O 2.97Å |
| 185 | T | 97.8 | Very high | 96.8 | Very high | 24 Ų | 24 | 24.9 Ų | 24.9 | 15% | 0.147 | 16% | 0.164 | C | C | . | . | trans | -62.9 | 138.3 | 176.8 | 44.5 | 0 | 0 | 0 | 0 | 112.4 | L181 P182 V183 V209 L210 | L181-T185 HydrophobicContact CB-CG2 4.48Å; P182-T185 HydrophobicContact CB-CG2 4.29Å; P182-T185 HydrophobicContact CG-CG2 3.53Å; P182-T185 WeakPolarHBondContact O-CB 3.34Å; P182-T185 WeakPolarHBondContact O-CG2 3.16Å; P182-T185 PolarHBondContact O-N 3.2Å; P182-T185 PolarHBondContact O-OG1 2.83Å; V183-T185 VanDerWaalsContact C-N 3.33Å; T185-V209 WeakPolarHBondContact O-CA 3.48Å; T185-L210 PolarHBondContact O-N 3.11Å; T185-L210 VanDerWaalsContact O-N 3.1Å | ||
| 186 | L | 98.2 | Very high | 96.6 | Very high | 77 Ų | 77 | 31.7 Ų | 31.7 | 40% | 0.403 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 127.2 | 169.7 | -63.5 | -178.1 | 0 | 0 | 0 | 109.2 | G208 V209 G239 R240 | L186-G208 WeakPolarHBondContact CA-O 3.47Å; L186-V209 HydrophobicContact CD2-CG2 3.87Å; L186-G239 PolarHBondContact O-N 3.08Å; L186-R240 HydrophobicContact CD1-CG 4.2Å |
| 187 | V | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 149.8 | -176.4 | -62.8 | 0 | 0 | 0 | 0 | 111.5 | L181 G208 V220 V236 T237 G239 | L181-V187 HydrophobicContact CD1-CG1 3.83Å; V187-G208 PolarHBondContact N-O 3.48Å; V187-G208 PolarHBondContact O-N 2.8Å; V187-V220 HydrophobicContact CG2-CG1 4.12Å; V187-V236 HydrophobicContact CB-CB 4.21Å; V187-V236 HydrophobicContact CB-CG2 4.24Å; V187-V236 HydrophobicContact CG1-CB 4.41Å; V187-V236 HydrophobicContact CG1-CG2 3.89Å; V187-T237 CarbonylContact C-O 3.52Å; V187-T237 WeakPolarHBondContact CA-O 3.38Å; V187-G239 CarbonylContact C-O 3.59Å |
| 188 | N | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 177.4 | 171.5 | 71.5 | 38.7 | 0 | 0 | 0 | 110.8 | L190 I201 T237 G239 R240 V241 | N188-L190 VanDerWaalsContact C-N 3.33Å; N188-L190 PolarHBondContact O-N 3.02Å; N188-I201 HydrophobicContact CB-CB 4.49Å; N188-I201 HydrophobicContact CB-CG2 3.85Å; N188-T237 PolarHBondContact N-O 3.45Å; N188-T237 PolarHBondContact O-N 3.39Å; N188-T237 VanDerWaalsContact OD1-CB 3.26Å; N188-T237 WeakPolarHBondContact OD1-CB 3.34Å; N188-G239 PolarHBondContact ND2-O 2.8Å; N188-R240 VanDerWaalsContact ND2-C 3.27Å; N188-R240 PolarHBondContact ND2-O 2.77Å; N188-V241 HydrophobicContact CB-CG2 3.7Å; N188-V241 PolarHBondContact ND2-N 3.32Å |
| 189 | N | 97.7 | Very high | 96.3 | Very high | 8 Ų | 8 | 35.5 Ų | 35.5 | 4% | 0.043 | 21% | 0.209 | C | C | . | . | S | Bend | trans | 51.1 | 51 | -179.6 | -65.5 | -44.4 | 0 | 0 | 0 | 112.4 | E191 S198 Y200 I201 R202 | N189-E191 PolarHBondContact O-N 2.79Å; N189-S198 WeakPolarHBondContact O-CB 3.3Å; N189-Y200 CarbonylContact C-O 3.48Å; N189-Y200 WeakPolarHBondContact CA-O 3.43Å; N189-I201 PolarHBondContact N-O 2.93Å; N189-R202 WeakPolarHBondContact OD1-CG 3.46Å |
| 190 | L | 97.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 125.9 | -177.9 | 175.2 | 72.2 | 0 | 0 | 0 | 111.7 | L178 N188 K199 Y200 I201 V220 L222 V236 | L178-L190 HydrophobicContact CD1-CD1 3.85Å; N188-L190 VanDerWaalsContact C-N 3.33Å; N188-L190 PolarHBondContact O-N 3.02Å; L190-K199 PolarHBondContact O-N 3.44Å; L190-Y200 PolarHBondContact N-O 3.31Å; L190-Y200 PolarHBondContact O-N 2.77Å; L190-Y200 VanDerWaalsContact O-N 3.13Å; L190-I201 HydrophobicContact CB-CD1 4.11Å; L190-V220 HydrophobicContact CD1-CG2 4.33Å; L190-V220 HydrophobicContact CD2-CB 4.24Å; L190-V220 HydrophobicContact CD2-CG1 4.15Å; L190-L222 HydrophobicContact CD2-CD2 4.17Å; L190-V236 HydrophobicContact CB-CG1 4.35Å; L190-V236 HydrophobicContact CD1-CG1 3.42Å; L190-V236 VanDerWaalsContact CD1-CG1 3.42Å; L190-V236 HydrophobicContact CG-CG1 4.48Å |
| 191 | E | 96.4 | Very high | 96.4 | Very high | 7 Ų | 7 | 39 Ų | 39 | 3% | 0.033 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 142.2 | 168.8 | 179.1 | 167.7 | -123.5 | 0 | 0 | 111.3 | N189 Q193 G195 R196 G197 C234 I235 | N189-E191 PolarHBondContact O-N 2.79Å; E191-Q193 WeakPolarHBondContact CG-O 3.38Å; E191-G195 VanDerWaalsContact CD-N 3.3Å; E191-G195 VanDerWaalsContact OE1-CA 3.24Å; E191-G195 WeakPolarHBondContact OE1-CA 3.4Å; E191-G195 PolarHBondContact OE1-N 2.79Å; E191-G195 PolarHBondContact OE2-N 3.49Å; E191-R196 PolarHBondContact OE1-N 2.94Å; E191-G197 PolarHBondContact OE1-N 2.99Å; E191-C234 HydrophobicContact CB-CB 4.2Å; E191-C234 HydrophobicContact CG-CB 4.37Å; E191-I235 WeakPolarHBondContact CB-O 3.34Å; E191-I235 PolarHBondContact N-O 3.25Å; E191-I235 PolarHBondContact OE2-N 3.11Å |
| 192 | I | 94.3 | Very high | 96.3 | Very high | 15 Ų | 15 | 43.6 Ų | 43.6 | 8% | 0.077 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -88.2 | -36.9 | -179.3 | -58.9 | -177.8 | 0 | 0 | 0 | 111.7 | K199 Y200 V230 Y289 | I192-K199 HydrophobicContact CD1-CB 3.95Å; I192-K199 HydrophobicContact CD1-CD 3.49Å; I192-K199 VanDerWaalsContact CD1-CD 3.49Å; I192-K199 HydrophobicContact CD1-CG 4.33Å; I192-K199 HydrophobicContact CG1-CB 4.12Å; I192-K199 HydrophobicContact CG1-CD 4.04Å; I192-Y200 HydrophobicContact CD1-CD2 3.87Å; I192-Y200 HydrophobicContact CD1-CE2 3.29Å; I192-Y200 HydrophobicContact CG1-CD2 3.66Å; I192-Y200 HydrophobicContact CG1-CE2 3.52Å; I192-V230 WeakPolarHBondContact O-CG1 3.45Å; I192-Y289 HydrophobicContact CG2-CD1 3.28Å; I192-Y289 HydrophobicContact CG2-CD2 3.93Å; I192-Y289 HydrophobicContact CG2-CE1 3.54Å; I192-Y289 HydrophobicContact CG2-CE2 4.17Å; I192-Y289 HydrophobicContact CG2-CG 3.46Å; I192-Y289 VanDerWaalsContact CG2-CG 3.46Å |
| 193 | Q | 94.7 | Very high | 96.4 | Very high | 71 Ų | 71 | 43.4 Ų | 43.4 | 33% | 0.332 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -142.7 | 140.5 | -178.4 | -78.5 | 171.3 | -28.1 | 0 | 0 | 107 | E191 G195 R196 | E191-Q193 WeakPolarHBondContact CG-O 3.38Å; Q193-G195 PolarHBondContact O-N 3.38Å; Q193-R196 HydrophobicContact CB-CB 4.29Å; Q193-R196 VanDerWaalsContact O-CB 3.26Å; Q193-R196 WeakPolarHBondContact O-CB 3.48Å; Q193-R196 PolarHBondContact O-N 2.98Å; Q193-R196 VanDerWaalsContact O-N 3.09Å |
| 194 | P | 94.8 | Very high | 96.4 | Very high | 63 Ų | 63 | 40 Ų | 40 | 41% | 0.409 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 132.3 | -175.1 | -23.7 | 34.1 | 0 | 0 | 0 | 111.8 | R196 L231 T233 C234 | P194-R196 VanDerWaalsContact C-N 3.29Å; P194-R196 PolarHBondContact O-N 2.85Å; P194-L231 HydrophobicContact CG-CB 4.39Å; P194-L231 HydrophobicContact CG-CD1 4.01Å; P194-T233 WeakPolarHBondContact CG-OG1 3.41Å; P194-C234 WeakPolarHBondContact CD-SG 3.25Å; P194-C234 VanDerWaalsContact N-SG 3.36Å |
| 195 | G | 92.3 | Very high | 96.4 | Very high | 48 Ų | 48 | 38.3 Ų | 38.3 | 50% | 0.495 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | -5.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | E191 Q193 G197 | E191-G195 VanDerWaalsContact CD-N 3.3Å; E191-G195 VanDerWaalsContact OE1-CA 3.24Å; E191-G195 WeakPolarHBondContact OE1-CA 3.4Å; E191-G195 PolarHBondContact OE1-N 2.79Å; E191-G195 PolarHBondContact OE2-N 3.49Å; Q193-G195 PolarHBondContact O-N 3.38Å; G195-G197 VanDerWaalsContact C-N 3.29Å; G195-G197 PolarHBondContact O-N 3.05Å |
| 196 | R | 92.7 | Very high | 96.4 | Very high | 143 Ų | 143 | 38.7 Ų | 38.7 | 54% | 0.54 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -79.6 | -11 | 179.1 | -158.8 | 168.2 | -174.6 | -176.6 | -1.1 | 113.8 | E191 Q193 P194 K199 | E191-R196 PolarHBondContact OE1-N 2.94Å; Q193-R196 HydrophobicContact CB-CB 4.29Å; Q193-R196 VanDerWaalsContact O-CB 3.26Å; Q193-R196 WeakPolarHBondContact O-CB 3.48Å; Q193-R196 PolarHBondContact O-N 2.98Å; Q193-R196 VanDerWaalsContact O-N 3.09Å; P194-R196 VanDerWaalsContact C-N 3.29Å; P194-R196 PolarHBondContact O-N 2.85Å; R196-K199 VanDerWaalsContact CZ-NZ 3.27Å |
| 197 | G | 94.2 | Very high | 96.4 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 6% | 0.062 | 20% | 0.197 | C | C | . | . | trans | 78.8 | 163.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E191 G195 | E191-G197 PolarHBondContact OE1-N 2.99Å; G195-G197 VanDerWaalsContact C-N 3.29Å; G195-G197 PolarHBondContact O-N 3.05Å | ||
| 198 | S | 95.7 | Very high | 96.4 | Very high | 8 Ų | 8 | 36.5 Ų | 36.5 | 6% | 0.056 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 133 | -177.3 | 59.7 | 0 | 0 | 0 | 0 | 112.9 | F102 N189 | F102-S198 VanDerWaalsContact CB-OG 3.32Å; F102-S198 WeakPolarHBondContact CB-OG 3.36Å; F102-S198 WeakPolarHBondContact CD1-OG 3.34Å; F102-S198 WeakPolarHBondContact O-CB 3.39Å; F102-S198 PolarHBondContact O-N 3.03Å; F102-S198 PolarHBondContact O-OG 2.86Å; N189-S198 WeakPolarHBondContact O-CB 3.3Å |
| 199 | K | 95.8 | Very high | 96.4 | Very high | 80 Ų | 80 | 38.6 Ų | 38.6 | 35% | 0.348 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | -39 | 179.9 | -73 | -179.7 | 173.4 | -174.7 | 0 | 112.4 | L190 I192 R196 R202 | L190-K199 PolarHBondContact O-N 3.44Å; I192-K199 HydrophobicContact CD1-CB 3.95Å; I192-K199 HydrophobicContact CD1-CD 3.49Å; I192-K199 VanDerWaalsContact CD1-CD 3.49Å; I192-K199 HydrophobicContact CD1-CG 4.33Å; I192-K199 HydrophobicContact CG1-CB 4.12Å; I192-K199 HydrophobicContact CG1-CD 4.04Å; R196-K199 VanDerWaalsContact CZ-NZ 3.27Å; K199-R202 PolarHBondContact O-NE 2.88Å; K199-R202 VanDerWaalsContact O-NE 3.11Å |
| 200 | Y | 97.3 | Very high | 96.5 | Very high | 69 Ų | 69 | 38.2 Ų | 38.2 | 27% | 0.271 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 158 | -179.1 | -71 | -67.6 | 0 | 0 | 0 | 111.7 | N189 L190 I192 L222 Y289 | N189-Y200 CarbonylContact C-O 3.48Å; N189-Y200 WeakPolarHBondContact CA-O 3.43Å; L190-Y200 PolarHBondContact N-O 3.31Å; L190-Y200 PolarHBondContact O-N 2.77Å; L190-Y200 VanDerWaalsContact O-N 3.13Å; I192-Y200 HydrophobicContact CD1-CD2 3.87Å; I192-Y200 HydrophobicContact CD1-CE2 3.29Å; I192-Y200 HydrophobicContact CG1-CD2 3.66Å; I192-Y200 HydrophobicContact CG1-CE2 3.52Å; Y200-L222 HydrophobicContact CD1-CD1 4.3Å; Y200-L222 HydrophobicContact CD1-CD2 4.48Å; Y200-L222 HydrophobicContact CE1-CD1 4.43Å; Y200-L222 HydrophobicContact CG-CD2 4.28Å; Y200-Y289 HydrophobicContact CE2-CE2 4.39Å; Y200-Y289 PolarHBondContact OH-OH 2.78Å |
| 201 | I | 97.9 | Very high | 96.5 | Very high | 13 Ų | 13 | 40.6 Ų | 40.6 | 7% | 0.067 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 57.6 | 55.2 | 171.4 | -38.9 | 172.8 | 0 | 0 | 0 | 112.7 | N188 N189 L190 L222 P223 | N188-I201 HydrophobicContact CB-CB 4.49Å; N188-I201 HydrophobicContact CB-CG2 3.85Å; N189-I201 PolarHBondContact N-O 2.93Å; L190-I201 HydrophobicContact CB-CD1 4.11Å; I201-L222 HydrophobicContact CD1-CD2 4.05Å; I201-L222 HydrophobicContact CG1-CD2 4.04Å; I201-P223 HydrophobicContact CG1-CG 4.32Å; I201-P223 HydrophobicContact CG2-CG 4.25Å |
| 202 | R | 97.6 | Very high | 96.6 | Very high | 97 Ų | 97 | 46 Ų | 46 | 37% | 0.366 | 24% | 0.242 | S | C | . | . | trans | -113.5 | -6 | -178.6 | -57.6 | -169.8 | -74.2 | 172.1 | -1.1 | 114.1 | N189 K199 | N189-R202 WeakPolarHBondContact OD1-CG 3.46Å; K199-R202 PolarHBondContact O-NE 2.88Å; K199-R202 VanDerWaalsContact O-NE 3.11Å | ||
| 203 | A | 98.1 | Very high | 96.7 | Very high | 46 Ų | 46 | 48.8 Ų | 48.8 | 38% | 0.38 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -85.1 | 153.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | G205 T206 V241 | A203-G205 PolarHBondContact O-N 2.86Å; A203-T206 HydrophobicContact CB-CG2 3.82Å; A203-T206 PolarHBondContact N-OG1 3.4Å; A203-T206 WeakPolarHBondContact O-CB 3.25Å; A203-T206 PolarHBondContact O-N 3.01Å; A203-T206 VanDerWaalsContact O-N 3.11Å; A203-T206 PolarHBondContact O-OG1 3.36Å; A203-V241 VanDerWaalsContact O-CB 3.25Å; A203-V241 WeakPolarHBondContact O-CB 3.29Å; A203-V241 WeakPolarHBondContact O-CG1 3.42Å |
| 204 | A | 98.1 | Very high | 96.8 | Very high | 16 Ų | 16 | 48.1 Ų | 48.1 | 13% | 0.132 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48 | 132.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S130 A131 T206 S242 N243 H246 | S130-A204 PolarHBondContact OG-N 3.15Å; A131-A204 HydrophobicContact CB-CB 4.43Å; A204-T206 PolarHBondContact O-N 3.02Å; A204-T206 VanDerWaalsContact O-N 3.09Å; A204-S242 VanDerWaalsContact CA-O 3.29Å; A204-S242 WeakPolarHBondContact CA-O 3.37Å; A204-N243 HydrophobicContact CB-CB 4.1Å; A204-N243 WeakPolarHBondContact CB-O 3.4Å; A204-H246 HydrophobicContact CB-CB 3.81Å |
| 205 | G | 97.3 | Very high | 96.7 | Very high | 13 Ų | 13 | 52.7 Ų | 52.7 | 13% | 0.134 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | -0.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | A203 R240 V241 S242 | A203-G205 PolarHBondContact O-N 2.86Å; G205-R240 PolarHBondContact O-NH2 3.4Å; G205-V241 VanDerWaalsContact CA-O 3.32Å; G205-V241 WeakPolarHBondContact CA-O 3.44Å; G205-V241 PolarHBondContact N-O 3.09Å; G205-V241 VanDerWaalsContact N-O 3.14Å; G205-S242 PolarHBondContact N-O 2.78Å; G205-S242 VanDerWaalsContact N-O 3.09Å |
| 206 | T | 98.3 | Very high | 96.7 | Very high | 32 Ų | 32 | 52 Ų | 52 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | trans | -80.9 | 147.4 | -178.4 | 63.8 | 0 | 0 | 0 | 0 | 112.5 | A203 A204 P223 V241 | A203-T206 HydrophobicContact CB-CG2 3.82Å; A203-T206 PolarHBondContact N-OG1 3.4Å; A203-T206 WeakPolarHBondContact O-CB 3.25Å; A203-T206 PolarHBondContact O-N 3.01Å; A203-T206 VanDerWaalsContact O-N 3.11Å; A203-T206 PolarHBondContact O-OG1 3.36Å; A204-T206 PolarHBondContact O-N 3.02Å; A204-T206 VanDerWaalsContact O-N 3.09Å; T206-P223 HydrophobicContact CG2-CG 4.39Å; T206-V241 WeakPolarHBondContact O-CG2 3.43Å; T206-V241 PolarHBondContact O-N 3.4Å; T206-V241 VanDerWaalsContact O-N 3.12Å | ||
| 207 | S | 98.1 | Very high | 96.9 | Very high | 29 Ų | 29 | 45.6 Ų | 45.6 | 20% | 0.203 | 24% | 0.244 | C | C | . | . | trans | -151.3 | 156 | 172.1 | 54.3 | 0 | 0 | 0 | 0 | 109.7 | P223 | S207-P223 WeakPolarHBondContact O-CG 2.92Š| ||
| 208 | G | 98.1 | Very high | 97.1 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 172.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | L186 V187 Q221 | L186-G208 WeakPolarHBondContact CA-O 3.47Å; V187-G208 PolarHBondContact N-O 3.48Å; V187-G208 PolarHBondContact O-N 2.8Å; G208-Q221 WeakPolarHBondContact CA-O 3.23Å |
| 209 | V | 98.4 | Very high | 97.2 | Very high | 43 Ų | 43 | 45.1 Ų | 45.1 | 26% | 0.261 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 131.8 | -179.7 | -173.5 | 0 | 0 | 0 | 0 | 108.8 | T185 L186 L211 V220 Q221 | T185-V209 WeakPolarHBondContact O-CA 3.48Å; L186-V209 HydrophobicContact CD2-CG2 3.87Å; V209-L211 HydrophobicContact CG1-CD2 4.39Å; V209-L211 PolarHBondContact O-N 3.11Å; V209-V220 WeakPolarHBondContact O-CA 3.43Å; V209-Q221 PolarHBondContact N-O 2.9Å; V209-Q221 VanDerWaalsContact N-O 3.17Å; V209-Q221 PolarHBondContact O-N 3.18Å |
| 210 | L | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 114.3 | 169.7 | 177.3 | 54.9 | 0 | 0 | 0 | 109.6 | L178 L181 G184 T185 A218 V220 | L178-L210 HydrophobicContact CD2-CD1 4.31Å; L181-L210 HydrophobicContact CB-CD2 4.1Å; G184-L210 WeakPolarHBondContact CA-O 3.45Å; G184-L210 PolarHBondContact N-O 2.97Å; T185-L210 PolarHBondContact O-N 3.11Å; T185-L210 VanDerWaalsContact O-N 3.1Å; L210-A218 HydrophobicContact CD1-CB 3.92Å; L210-V220 HydrophobicContact CD1-CG2 4.2Å |
| 211 | L | 98.3 | Very high | 97.4 | Very high | 51 Ų | 51 | 40.8 Ų | 40.8 | 27% | 0.267 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -49.1 | -173.2 | -66.4 | -178.5 | 0 | 0 | 0 | 113.6 | V183 V209 I219 Q221 Q227 | V183-L211 WeakPolarHBondContact CG1-O 3.42Å; V209-L211 HydrophobicContact CG1-CD2 4.39Å; V209-L211 PolarHBondContact O-N 3.11Å; L211-I219 HydrophobicContact CB-CG2 4.48Å; L211-I219 WeakPolarHBondContact CB-O 3.42Å; L211-I219 HydrophobicContact CD1-CG2 4.28Å; L211-I219 PolarHBondContact N-O 2.97Å; L211-Q221 HydrophobicContact CD1-CB 3.99Å; L211-Q221 HydrophobicContact CD2-CB 4.29Å; L211-Q221 HydrophobicContact CG-CB 4.06Å; L211-Q227 HydrophobicContact CD1-CG 3.94Å |
| 212 | R | 97.8 | Very high | 97.4 | Very high | 122 Ų | 122 | 40.9 Ų | 40.9 | 46% | 0.46 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | 164.9 | -179.8 | 61.6 | -179.3 | 179.5 | -88.2 | -3 | 110.9 | V214 I219 | R212-V214 HydrophobicContact CG-CG2 4.44Å; R212-I219 HydrophobicContact CG-CB 4.21Å; R212-I219 HydrophobicContact CG-CD1 3.96Å; R212-I219 HydrophobicContact CG-CG1 4.45Å; R212-I219 PolarHBondContact O-N 3.09Å |
| 213 | K | 96.9 | Very high | 97.4 | Very high | 72 Ų | 72 | 39.6 Ų | 39.6 | 31% | 0.313 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 135.8 | 174.9 | -57.4 | 175.8 | -172.5 | 172.3 | 0 | 109.1 | L178 G179 L181 T217 | L178-K213 WeakPolarHBondContact O-CE 3.48Å; L178-K213 PolarHBondContact O-NZ 3.36Å; G179-K213 VanDerWaalsContact C-NZ 3.35Å; G179-K213 PolarHBondContact O-NZ 3.32Å; L181-K213 VanDerWaalsContact O-CE 3.22Å; L181-K213 WeakPolarHBondContact O-CE 3.33Å; L181-K213 PolarHBondContact O-NZ 3.32Å; K213-T217 CarbonylContact C-O 3.58Å; K213-T217 VanDerWaalsContact CA-O 3.24Å; K213-T217 WeakPolarHBondContact CA-O 3.32Å |
| 214 | V | 96.2 | Very high | 97.4 | Very high | 57 Ų | 57 | 41 Ų | 41 | 35% | 0.345 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 123.7 | -178.7 | -177.2 | 0 | 0 | 0 | 0 | 108.2 | R212 G216 T217 | R212-V214 HydrophobicContact CG-CG2 4.44Å; V214-G216 PolarHBondContact O-N 3.22Å; V214-T217 PolarHBondContact N-O 3.15Å; V214-T217 WeakPolarHBondContact O-CA 3.02Å; V214-T217 WeakPolarHBondContact O-CB 3.42Å; V214-T217 PolarHBondContact O-N 3.47Å; V214-T217 PolarHBondContact O-OG1 2.78Å |
| 215 | N | 94.1 | Very high | 97.3 | Very high | 160 Ų | 160 | 46.9 Ų | 46.9 | 86% | 0.856 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47 | 51.6 | 171.1 | -58.3 | -14.6 | 0 | 0 | 0 | 114.2 | T217 | N215-T217 PolarHBondContact O-N 3.34Š|
| 216 | G | 92.8 | Very high | 97.4 | Very high | 32 Ų | 32 | 48.8 Ų | 48.8 | 33% | 0.33 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 11.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | V214 E232 | V214-G216 PolarHBondContact O-N 3.22Å; G216-E232 WeakPolarHBondContact O-CB 3.31Å; G216-E232 VanDerWaalsContact O-CG 3.29Å; G216-E232 WeakPolarHBondContact O-CG 3.44Å; G216-E232 PolarHBondContact O-N 3.47Å |
| 217 | T | 96.6 | Very high | 97.4 | Very high | 9 Ų | 9 | 50.4 Ų | 50.4 | 6% | 0.055 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 150.1 | 177.7 | 74.1 | 0 | 0 | 0 | 0 | 110.4 | K213 V214 N215 Q229 V230 L231 V290 | K213-T217 CarbonylContact C-O 3.58Å; K213-T217 VanDerWaalsContact CA-O 3.24Å; K213-T217 WeakPolarHBondContact CA-O 3.32Å; V214-T217 PolarHBondContact N-O 3.15Å; V214-T217 WeakPolarHBondContact O-CA 3.02Å; V214-T217 WeakPolarHBondContact O-CB 3.42Å; V214-T217 PolarHBondContact O-N 3.47Å; V214-T217 PolarHBondContact O-OG1 2.78Å; N215-T217 PolarHBondContact O-N 3.34Å; T217-Q229 PolarHBondContact OG1-NE2 3.25Å; T217-V230 CarbonylContact C-O 3.55Å; T217-V230 VanDerWaalsContact CA-O 3.3Å; T217-V230 WeakPolarHBondContact CA-O 3.43Å; T217-V230 WeakPolarHBondContact CB-O 3.37Å; T217-L231 HydrophobicContact CG2-CD2 4.43Å; T217-V290 HydrophobicContact CG2-CB 4.43Å; T217-V290 HydrophobicContact CG2-CG1 4.08Å; T217-V290 HydrophobicContact CG2-CG2 3.65Å |
| 218 | A | 97.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 137.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110 | L178 L210 Q229 V230 | L178-A218 HydrophobicContact CB-CB 3.73Å; L178-A218 HydrophobicContact CD1-CB 3.82Å; L178-A218 HydrophobicContact CG-CB 4.28Å; L210-A218 HydrophobicContact CD1-CB 3.92Å; A218-Q229 WeakPolarHBondContact O-CA 3.32Å; A218-V230 PolarHBondContact N-O 3.04Å; A218-V230 PolarHBondContact O-N 3.02Å |
| 219 | I | 98.1 | Very high | 97.3 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 118.4 | 175.5 | -62 | 173.1 | 0 | 0 | 0 | 108.3 | L211 R212 Q227 V228 Q229 M286 | L211-I219 HydrophobicContact CB-CG2 4.48Å; L211-I219 WeakPolarHBondContact CB-O 3.42Å; L211-I219 HydrophobicContact CD1-CG2 4.28Å; L211-I219 PolarHBondContact N-O 2.97Å; R212-I219 HydrophobicContact CG-CB 4.21Å; R212-I219 HydrophobicContact CG-CD1 3.96Å; R212-I219 HydrophobicContact CG-CG1 4.45Å; R212-I219 PolarHBondContact O-N 3.09Å; I219-Q227 HydrophobicContact CG2-CB 4.24Å; I219-V228 CarbonylContact C-O 3.54Å; I219-V228 WeakPolarHBondContact CA-O 3.24Å; I219-Q229 HydrophobicContact CG1-CB 4.31Å; I219-Q229 HydrophobicContact CG1-CG 4.28Å; I219-M286 HydrophobicContact CD1-CE 4.48Å; I219-M286 HydrophobicContact CD1-SD 3.83Å; I219-M286 HydrophobicContact CG1-SD 4.03Å; I219-M286 HydrophobicContact CG2-SD 4.01Å |
| 220 | V | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 134.3 | -179.3 | -178.5 | 0 | 0 | 0 | 0 | 109.8 | L178 V187 L190 V209 L210 V228 | L178-V220 HydrophobicContact CD1-CG2 4.03Å; L178-V220 HydrophobicContact CD2-CG2 3.9Å; V187-V220 HydrophobicContact CG2-CG1 4.12Å; L190-V220 HydrophobicContact CD1-CG2 4.33Å; L190-V220 HydrophobicContact CD2-CB 4.24Å; L190-V220 HydrophobicContact CD2-CG1 4.15Å; V209-V220 WeakPolarHBondContact O-CA 3.43Å; L210-V220 HydrophobicContact CD1-CG2 4.2Å; V220-V228 PolarHBondContact N-O 2.93Å; V220-V228 PolarHBondContact O-N 3.12Å |
| 221 | Q | 98.4 | Very high | 97.2 | Very high | 58 Ų | 58 | 51.9 Ų | 51.9 | 27% | 0.271 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 123.7 | 170 | -167.1 | 175.9 | 20.5 | 0 | 0 | 110.1 | G208 V209 L211 | G208-Q221 WeakPolarHBondContact CA-O 3.23Å; V209-Q221 PolarHBondContact N-O 2.9Å; V209-Q221 VanDerWaalsContact N-O 3.17Å; V209-Q221 PolarHBondContact O-N 3.18Å; L211-Q221 HydrophobicContact CD1-CB 3.99Å; L211-Q221 HydrophobicContact CD2-CB 4.29Å; L211-Q221 HydrophobicContact CG-CB 4.06Å |
| 222 | L | 98.2 | Very high | 97.1 | Very high | 15 Ų | 15 | 52.2 Ų | 52.2 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | trans | -77.7 | 163.4 | 174.4 | -64.6 | -176.6 | 0 | 0 | 0 | 111.7 | L190 Y200 I201 S224 K225 Q226 V228 | L190-L222 HydrophobicContact CD2-CD2 4.17Å; Y200-L222 HydrophobicContact CD1-CD1 4.3Å; Y200-L222 HydrophobicContact CD1-CD2 4.48Å; Y200-L222 HydrophobicContact CE1-CD1 4.43Å; Y200-L222 HydrophobicContact CG-CD2 4.28Å; I201-L222 HydrophobicContact CD1-CD2 4.05Å; I201-L222 HydrophobicContact CG1-CD2 4.04Å; L222-S224 PolarHBondContact O-N 3.21Å; L222-K225 WeakPolarHBondContact O-CA 3.1Å; L222-K225 PolarHBondContact O-N 3.41Å; L222-Q226 WeakPolarHBondContact CB-O 3.26Å; L222-Q226 PolarHBondContact N-O 3.04Å; L222-V228 HydrophobicContact CD1-CG2 3.57Å; L222-V228 HydrophobicContact CD2-CG2 4.38Å; L222-V228 HydrophobicContact CG-CG2 3.78Å | ||
| 223 | P | 97.9 | Very high | 97 | Very high | 69 Ų | 69 | 49.4 Ų | 49.4 | 45% | 0.448 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -25.4 | 172.7 | -24.8 | 29.2 | 0 | 0 | 0 | 114.5 | I201 T206 S207 K225 | I201-P223 HydrophobicContact CG1-CG 4.32Å; I201-P223 HydrophobicContact CG2-CG 4.25Å; T206-P223 HydrophobicContact CG2-CG 4.39Å; S207-P223 WeakPolarHBondContact O-CG 2.92Å; P223-K225 PolarHBondContact O-N 3.44Å |
| 224 | S | 97.1 | Very high | 97 | Very high | 77 Ų | 77 | 46 Ų | 46 | 54% | 0.538 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 3.5 | 174.2 | 58.9 | 0 | 0 | 0 | 0 | 113.9 | L222 Q226 | L222-S224 PolarHBondContact O-N 3.21Å; S224-Q226 PolarHBondContact O-N 3.11Å; S224-Q226 VanDerWaalsContact O-N 3.15Å |
| 225 | K | 97.9 | Very high | 97.1 | Very high | 138 Ų | 138 | 44 Ų | 44 | 60% | 0.6 | 24% | 0.24 | S | C | * | . | S | Bend | trans | 65.6 | -2.5 | -169.9 | -53.6 | 179.9 | 179.3 | -176.9 | 0 | 115.1 | L222 P223 L283 | L222-K225 WeakPolarHBondContact O-CA 3.1Å; L222-K225 PolarHBondContact O-N 3.41Å; P223-K225 PolarHBondContact O-N 3.44Å; K225-L283 HydrophobicContact CB-CD2 4.37Å |
| 226 | Q | 97.7 | Very high | 97.3 | Very high | 53 Ų | 53 | 36.4 Ų | 36.4 | 25% | 0.248 | 20% | 0.199 | C | C | . | . | trans | -68.5 | 136.9 | 173.3 | -175.2 | 172.3 | 19.5 | 0 | 0 | 110.5 | L222 S224 P284 | L222-Q226 WeakPolarHBondContact CB-O 3.26Å; L222-Q226 PolarHBondContact N-O 3.04Å; S224-Q226 PolarHBondContact O-N 3.11Å; S224-Q226 VanDerWaalsContact O-N 3.15Å; Q226-P284 HydrophobicContact CB-CG 4.43Å; Q226-P284 HydrophobicContact CG-CG 4.02Å | ||
| 227 | Q | 98.1 | Very high | 97.5 | Very high | 67 Ų | 67 | 35 Ų | 35 | 31% | 0.313 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 141.6 | 176.5 | -63.4 | 177.3 | 5.9 | 0 | 0 | 110.8 | L211 I219 M286 K287 | L211-Q227 HydrophobicContact CD1-CG 3.94Å; I219-Q227 HydrophobicContact CG2-CB 4.24Å; Q227-M286 HydrophobicContact CB-CB 4.2Å; Q227-M286 HydrophobicContact CB-CG 3.94Å; Q227-M286 WeakPolarHBondContact O-CA 3.34Å; Q227-K287 PolarHBondContact O-N 3.29Å |
| 228 | V | 97.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 133 | 178 | 179.8 | 0 | 0 | 0 | 0 | 109.6 | I219 V220 L222 V230 K287 Y289 | I219-V228 CarbonylContact C-O 3.54Å; I219-V228 WeakPolarHBondContact CA-O 3.24Å; V220-V228 PolarHBondContact N-O 2.93Å; V220-V228 PolarHBondContact O-N 3.12Å; L222-V228 HydrophobicContact CD1-CG2 3.57Å; L222-V228 HydrophobicContact CD2-CG2 4.38Å; L222-V228 HydrophobicContact CG-CG2 3.78Å; V228-V230 HydrophobicContact CG1-CG2 3.73Å; V228-K287 CarbonylContact C-O 3.49Å; V228-K287 VanDerWaalsContact CA-O 3.29Å; V228-K287 WeakPolarHBondContact CA-O 3.13Å; V228-K287 HydrophobicContact CG2-CB 4.4Å; V228-Y289 HydrophobicContact CG1-CD2 3.45Å; V228-Y289 VanDerWaalsContact CG1-CD2 3.45Å; V228-Y289 HydrophobicContact CG1-CE2 3.39Å |
| 229 | Q | 97.6 | Very high | 97.6 | Very high | 39 Ų | 39 | 35.6 Ų | 35.6 | 18% | 0.182 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 127.3 | 173.3 | -175.2 | -175 | 21 | 0 | 0 | 109.9 | T217 A218 I219 M286 K287 S288 Y289 V290 | T217-Q229 PolarHBondContact OG1-NE2 3.25Å; A218-Q229 WeakPolarHBondContact O-CA 3.32Å; I219-Q229 HydrophobicContact CG1-CB 4.31Å; I219-Q229 HydrophobicContact CG1-CG 4.28Å; Q229-M286 HydrophobicContact CB-CE 4.02Å; Q229-M286 HydrophobicContact CB-SD 4.06Å; Q229-K287 PolarHBondContact N-O 2.74Å; Q229-S288 PolarHBondContact OE1-OG 2.71Å; Q229-Y289 PolarHBondContact O-N 2.8Å; Q229-V290 HydrophobicContact CG-CG2 4.08Å |
| 230 | V | 97.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 159.8 | -176.5 | -174.9 | 0 | 0 | 0 | 0 | 109.1 | L178 I192 T217 A218 V228 C234 | L178-V230 HydrophobicContact CD1-CB 4.37Å; L178-V230 HydrophobicContact CD1-CG1 4.48Å; I192-V230 WeakPolarHBondContact O-CG1 3.45Å; T217-V230 CarbonylContact C-O 3.55Å; T217-V230 VanDerWaalsContact CA-O 3.3Å; T217-V230 WeakPolarHBondContact CA-O 3.43Å; T217-V230 WeakPolarHBondContact CB-O 3.37Å; A218-V230 PolarHBondContact N-O 3.04Å; A218-V230 PolarHBondContact O-N 3.02Å; V228-V230 HydrophobicContact CG1-CG2 3.73Å; V230-C234 HydrophobicContact CG1-CB 3.56Å; V230-C234 WeakPolarHBondContact CG1-SG 3.26Å |
| 231 | L | 96.9 | Very high | 97.6 | Very high | 62 Ų | 62 | 39.1 Ų | 39.1 | 33% | 0.325 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 145.5 | 170.7 | -64.3 | 175.9 | 0 | 0 | 0 | 111.1 | P194 T217 T233 C234 V290 | P194-L231 HydrophobicContact CG-CB 4.39Å; P194-L231 HydrophobicContact CG-CD1 4.01Å; T217-L231 HydrophobicContact CG2-CD2 4.43Å; L231-T233 PolarHBondContact O-N 3.23Å; L231-C234 WeakPolarHBondContact O-CB 3.38Å; L231-C234 PolarHBondContact O-N 3.14Å; L231-V290 HydrophobicContact CD2-CG1 4.18Å; L231-V290 HydrophobicContact CD2-CG2 4.11Å |
| 232 | E | 96.2 | Very high | 97.6 | Very high | 58 Ų | 58 | 36.7 Ų | 36.7 | 27% | 0.271 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -20.7 | 178.8 | 72.7 | -176.5 | 172.2 | 0 | 0 | 113.5 | I163 L178 G179 G216 C234 | I163-E232 HydrophobicContact CD1-CG 4.05Å; L178-E232 PolarHBondContact N-O 3.11Å; G179-E232 PolarHBondContact N-O 3.13Å; G216-E232 WeakPolarHBondContact O-CB 3.31Å; G216-E232 VanDerWaalsContact O-CG 3.29Å; G216-E232 WeakPolarHBondContact O-CG 3.44Å; G216-E232 PolarHBondContact O-N 3.47Å; E232-C234 VanDerWaalsContact C-N 3.26Å; E232-C234 PolarHBondContact O-N 3.46Å |
| 233 | T | 96.3 | Very high | 97.6 | Very high | 64 Ų | 64 | 38.6 Ų | 38.6 | 39% | 0.393 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -11 | 177.9 | 50.7 | 0 | 0 | 0 | 0 | 113.4 | I163 P194 L231 | I163-T233 HydrophobicContact CD1-CG2 3.87Å; P194-T233 WeakPolarHBondContact CG-OG1 3.41Å; L231-T233 PolarHBondContact O-N 3.23Å |
| 234 | C | 96.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -66.5 | 135.8 | 176.3 | -75.7 | 0 | 0 | 0 | 0 | 111.6 | P177 L178 E191 P194 V230 L231 E232 | P177-C234 WeakPolarHBondContact CA-O 3.29Å; L178-C234 HydrophobicContact CD1-CB 4.31Å; L178-C234 PolarHBondContact N-O 2.92Å; E191-C234 HydrophobicContact CB-CB 4.2Å; E191-C234 HydrophobicContact CG-CB 4.37Å; P194-C234 WeakPolarHBondContact CD-SG 3.25Å; P194-C234 VanDerWaalsContact N-SG 3.36Å; V230-C234 HydrophobicContact CG1-CB 3.56Å; V230-C234 WeakPolarHBondContact CG1-SG 3.26Å; L231-C234 WeakPolarHBondContact O-CB 3.38Å; L231-C234 PolarHBondContact O-N 3.14Å; E232-C234 VanDerWaalsContact C-N 3.26Å; E232-C234 PolarHBondContact O-N 3.46Å | ||
| 235 | I | 97.4 | Very high | 97.6 | Very high | 16 Ų | 16 | 38.5 Ų | 38.5 | 8% | 0.082 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 137.4 | -177.6 | -61.7 | -69.5 | 0 | 0 | 0 | 110.4 | R104 L105 A175 P177 E191 | R104-I235 HydrophobicContact CB-CG2 4.2Å; L105-I235 HydrophobicContact CB-CD1 4.09Å; L105-I235 HydrophobicContact CB-CG1 3.78Å; L105-I235 HydrophobicContact CB-CG2 4.39Å; L105-I235 HydrophobicContact CD2-CD1 3.8Å; L105-I235 HydrophobicContact CD2-CG1 3.97Å; L105-I235 HydrophobicContact CG-CD1 4.44Å; A175-I235 HydrophobicContact CB-CG2 4.26Å; P177-I235 HydrophobicContact CB-CD1 4.12Å; E191-I235 WeakPolarHBondContact CB-O 3.34Å; E191-I235 PolarHBondContact N-O 3.25Å; E191-I235 PolarHBondContact OE2-N 3.11Å |
| 236 | V | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 162.2 | 172.5 | -63.7 | 0 | 0 | 0 | 0 | 110.2 | A175 Y176 L178 L181 V187 L190 | A175-V236 VanDerWaalsContact CA-O 3.23Å; A175-V236 WeakPolarHBondContact CA-O 3.4Å; Y176-V236 PolarHBondContact N-O 3.21Å; Y176-V236 WeakPolarHBondContact O-CG2 3.11Å; Y176-V236 PolarHBondContact O-N 3.24Å; L178-V236 HydrophobicContact CD1-CG1 4.28Å; L178-V236 HydrophobicContact CD2-CB 4.32Å; L178-V236 HydrophobicContact CD2-CG1 3.61Å; L178-V236 HydrophobicContact CD2-CG2 3.74Å; L178-V236 HydrophobicContact CG-CG1 3.79Å; L178-V236 HydrophobicContact CG-CG2 4.2Å; L181-V236 HydrophobicContact CD1-CG2 3.46Å; L181-V236 VanDerWaalsContact CD1-CG2 3.46Å; V187-V236 HydrophobicContact CB-CB 4.21Å; V187-V236 HydrophobicContact CB-CG2 4.24Å; V187-V236 HydrophobicContact CG1-CB 4.41Å; V187-V236 HydrophobicContact CG1-CG2 3.89Å; L190-V236 HydrophobicContact CB-CG1 4.35Å; L190-V236 HydrophobicContact CD1-CG1 3.42Å; L190-V236 VanDerWaalsContact CD1-CG1 3.42Å; L190-V236 HydrophobicContact CG-CG1 4.48Å |
| 237 | T | 98.1 | Very high | 97.5 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 137.3 | 170.6 | -57.6 | 0 | 0 | 0 | 0 | 109.1 | T148 G173 D174 V187 N188 | T148-T237 HydrophobicContact CG2-CG2 3.94Å; G173-T237 WeakPolarHBondContact O-CG2 3.48Å; D174-T237 CarbonylContact O-C 3.54Å; D174-T237 WeakPolarHBondContact O-CA 3.42Å; V187-T237 CarbonylContact C-O 3.52Å; V187-T237 WeakPolarHBondContact CA-O 3.38Å; N188-T237 PolarHBondContact N-O 3.45Å; N188-T237 PolarHBondContact O-N 3.39Å; N188-T237 VanDerWaalsContact OD1-CB 3.26Å; N188-T237 WeakPolarHBondContact OD1-CB 3.34Å |
| 238 | V | 98.2 | Very high | 97.5 | Very high | 14 Ų | 14 | 43 Ų | 43 | 9% | 0.085 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 138.4 | -177.2 | 178.4 | 0 | 0 | 0 | 0 | 110.1 | A170 G173 D174 L181 | A170-V238 HydrophobicContact CB-CB 4.32Å; A170-V238 HydrophobicContact CB-CG1 4.31Å; A170-V238 HydrophobicContact CB-CG2 3.73Å; G173-V238 PolarHBondContact N-O 2.94Å; D174-V238 PolarHBondContact O-N 3.28Å; L181-V238 HydrophobicContact CD1-CG2 3.81Å; L181-V238 HydrophobicContact CD2-CG2 3.61Å; L181-V238 HydrophobicContact CG-CG2 4.39Å |
| 239 | G | 97.4 | Very high | 97.5 | Very high | 8 Ų | 8 | 48.7 Ų | 48.7 | 8% | 0.082 | 24% | 0.237 | C | C | . | . | S | Bend | trans | 102.6 | -167.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L186 V187 N188 | L186-G239 PolarHBondContact O-N 3.08Å; V187-G239 CarbonylContact C-O 3.59Å; N188-G239 PolarHBondContact ND2-O 2.8Å |
| 240 | R | 98.1 | Very high | 97.5 | Very high | 79 Ų | 79 | 53.5 Ų | 53.5 | 30% | 0.298 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -101.6 | 154.2 | -176.9 | -57.7 | -177.2 | 60.5 | -161.9 | -1.2 | 110 | T148 E149 L186 N188 G205 | T148-R240 CarbonylContact C-O 3.57Å; T148-R240 WeakPolarHBondContact CA-O 3.38Å; T148-R240 WeakPolarHBondContact CB-O 3.36Å; E149-R240 HydrophobicContact CB-CB 4.28Å; E149-R240 PolarHBondContact N-O 3.3Å; E149-R240 WeakPolarHBondContact OE2-CB 3.44Å; E149-R240 WeakPolarHBondContact OE2-CD 3.47Å; E149-R240 IonicContact OE2-CZ 3.86Å; E149-R240 IonicContact OE2-NE 3.74Å; E149-R240 IonicContact OE2-NH1 3.6Å; L186-R240 HydrophobicContact CD1-CG 4.2Å; N188-R240 VanDerWaalsContact ND2-C 3.27Å; N188-R240 PolarHBondContact ND2-O 2.77Å; G205-R240 PolarHBondContact O-NH2 3.4Å |
| 241 | V | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | -72.9 | 143.4 | 175 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | A131 V146 N188 A203 G205 T206 | A131-V241 HydrophobicContact CB-CG1 3.38Å; V146-V241 HydrophobicContact CG1-CG1 3.7Å; N188-V241 HydrophobicContact CB-CG2 3.7Å; N188-V241 PolarHBondContact ND2-N 3.32Å; A203-V241 VanDerWaalsContact O-CB 3.25Å; A203-V241 WeakPolarHBondContact O-CB 3.29Å; A203-V241 WeakPolarHBondContact O-CG1 3.42Å; G205-V241 VanDerWaalsContact CA-O 3.32Å; G205-V241 WeakPolarHBondContact CA-O 3.44Å; G205-V241 PolarHBondContact N-O 3.09Å; G205-V241 VanDerWaalsContact N-O 3.14Å; T206-V241 WeakPolarHBondContact O-CG2 3.43Å; T206-V241 PolarHBondContact O-N 3.4Å; T206-V241 VanDerWaalsContact O-N 3.12Å |
| 242 | S | 98 | Very high | 97.5 | Very high | 6 Ų | 6 | 56.4 Ų | 56.4 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -50.1 | 165 | 174.1 | 53.7 | 0 | 0 | 0 | 0 | 114.7 | D132 A147 T148 A204 G205 | D132-S242 PolarHBondContact N-OG 2.97Å; D132-S242 PolarHBondContact O-OG 3.01Å; A147-S242 VanDerWaalsContact O-CB 3.27Å; A147-S242 WeakPolarHBondContact O-CB 3.13Å; A147-S242 PolarHBondContact O-N 3.26Å; A147-S242 PolarHBondContact O-OG 3.26Å; T148-S242 WeakPolarHBondContact O-CB 3.4Å; A204-S242 VanDerWaalsContact CA-O 3.29Å; A204-S242 WeakPolarHBondContact CA-O 3.37Å; G205-S242 PolarHBondContact N-O 2.78Å; G205-S242 VanDerWaalsContact N-O 3.09Å |
| 243 | N | 97.4 | Very high | 97.6 | Very high | 55 Ų | 55 | 59.5 Ų | 59.5 | 29% | 0.294 | 31% | 0.307 | S | S | . | . | trans | 61.7 | 60.2 | 177.3 | -166 | 0.4 | 0 | 0 | 0 | 113.3 | S130 A204 D245 H246 | S130-N243 PolarHBondContact O-ND2 3.47Å; S130-N243 VanDerWaalsContact O-ND2 3.11Å; A204-N243 HydrophobicContact CB-CB 4.1Å; A204-N243 WeakPolarHBondContact CB-O 3.4Å; N243-D245 VanDerWaalsContact C-N 3.35Å; N243-D245 PolarHBondContact O-N 3.07Å; N243-H246 WeakPolarHBondContact O-CB 3.45Å; N243-H246 PolarHBondContact O-N 2.88Å | ||
| 244 | I | 97.9 | Very high | 97.7 | Very high | 53 Ų | 53 | 60.2 Ų | 60.2 | 27% | 0.272 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -60.8 | -43.6 | -176.3 | -50.3 | 166.4 | 0 | 0 | 0 | 112 | E149 H246 N247 | E149-I244 HydrophobicContact CG-CD1 3.52Å; E149-I244 HydrophobicContact CG-CG1 3.89Å; E149-I244 WeakPolarHBondContact OE1-CD1 3.24Å; E149-I244 VanDerWaalsContact OE2-CD1 3.29Å; E149-I244 WeakPolarHBondContact OE2-CD1 3.17Å; I244-H246 PolarHBondContact O-N 2.97Å; I244-H246 VanDerWaalsContact O-N 3.09Å; I244-N247 PolarHBondContact O-OD1 2.72Å |
| 245 | D | 97.7 | Very high | 97.7 | Very high | 91 Ų | 91 | 61.6 Ų | 61.6 | 49% | 0.487 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -78.8 | 11.3 | -173.9 | -66.3 | -46.9 | 0 | 0 | 0 | 113.5 | N243 N247 K248 R249 | N243-D245 VanDerWaalsContact C-N 3.35Å; N243-D245 PolarHBondContact O-N 3.07Å; D245-N247 PolarHBondContact O-N 3.32Å; D245-N247 VanDerWaalsContact O-N 3.12Å; D245-K248 HydrophobicContact CB-CD 4.43Å; D245-K248 PolarHBondContact O-N 3.19Å; D245-K248 WeakPolarHBondContact OD1-CD 3.44Å; D245-K248 WeakPolarHBondContact OD1-CE 3.36Å; D245-K248 IonicContact OD1-NZ 2.74Å; D245-K248 PolarHBondContact OD1-NZ 3.05Å; D245-R249 PolarHBondContact O-N 3.24Å |
| 246 | H | 97.5 | Very high | 97.7 | Very high | 73 Ų | 73 | 64.8 Ų | 64.8 | 34% | 0.338 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -53.7 | -34.1 | 175.2 | -171.3 | 86.5 | 0 | 0 | 0 | 112.6 | A204 N243 I244 R249 | A204-H246 HydrophobicContact CB-CB 3.81Å; N243-H246 WeakPolarHBondContact O-CB 3.45Å; N243-H246 PolarHBondContact O-N 2.88Å; I244-H246 PolarHBondContact O-N 2.97Å; I244-H246 VanDerWaalsContact O-N 3.09Å; H246-R249 WeakPolarHBondContact O-CB 3.47Å; H246-R249 PolarHBondContact O-N 2.78Å |
| 247 | N | 97.1 | Very high | 97.7 | Very high | 130 Ų | 130 | 67.6 Ų | 67.6 | 70% | 0.695 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -72.7 | -27.1 | 178.6 | 65.4 | -13.6 | 0 | 0 | 0 | 113.7 | I244 D245 R249 | I244-N247 PolarHBondContact O-OD1 2.72Å; D245-N247 PolarHBondContact O-N 3.32Å; D245-N247 VanDerWaalsContact O-N 3.12Å; N247-R249 VanDerWaalsContact C-N 3.27Å |
| 248 | K | 97.7 | Very high | 97.7 | Very high | 150 Ų | 150 | 73.4 Ų | 73.4 | 65% | 0.652 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -82.5 | -5.4 | 178.6 | -65.5 | 174.8 | -168.5 | 159.6 | 0 | 112.5 | D245 I250 | D245-K248 HydrophobicContact CB-CD 4.43Å; D245-K248 PolarHBondContact O-N 3.19Å; D245-K248 WeakPolarHBondContact OD1-CD 3.44Å; D245-K248 WeakPolarHBondContact OD1-CE 3.36Å; D245-K248 IonicContact OD1-NZ 2.74Å; D245-K248 PolarHBondContact OD1-NZ 3.05Å; K248-I250 PolarHBondContact O-N 2.89Å |
| 249 | R | 96.8 | Very high | 97.7 | Very high | 121 Ų | 121 | 79.6 Ų | 79.6 | 46% | 0.457 | 40% | 0.404 | S | S | . | . | trans | -64.3 | 120.1 | -177.8 | -176.3 | -175 | 178.7 | -174 | 4.5 | 112 | D245 H246 N247 | D245-R249 PolarHBondContact O-N 3.24Å; H246-R249 WeakPolarHBondContact O-CB 3.47Å; H246-R249 PolarHBondContact O-N 2.78Å; N247-R249 VanDerWaalsContact C-N 3.27Å | ||
| 250 | I | 97.9 | Very high | 97.6 | Very high | 140 Ų | 140 | 82.7 Ų | 82.7 | 72% | 0.718 | 42% | 0.418 | S | S | * | . | trans | -85.4 | 126.2 | 175 | -56.4 | 173.9 | 0 | 0 | 0 | 110.6 | K248 R256 | K248-I250 PolarHBondContact O-N 2.89Å; I250-R256 PolarHBondContact O-NH1 2.88Å | ||
| 251 | I | 97 | Very high | 97.6 | Very high | 53 Ų | 53 | 79.4 Ų | 79.4 | 27% | 0.272 | 41% | 0.408 | S | S | . | . | trans | -72.2 | -33.2 | 178.9 | -60.1 | -60.7 | 0 | 0 | 0 | 112.1 | K253 R256 N257 L260 | I251-K253 VanDerWaalsContact C-N 3.3Å; I251-K253 PolarHBondContact O-N 2.96Å; I251-R256 VanDerWaalsContact C-NH1 3.33Å; I251-R256 HydrophobicContact CG2-CB 3.92Å; I251-R256 HydrophobicContact CG2-CG 4.26Å; I251-R256 VanDerWaalsContact O-CD 3.25Å; I251-R256 WeakPolarHBondContact O-CD 3.36Å; I251-R256 PolarHBondContact O-NE 3.42Å; I251-R256 PolarHBondContact O-NH1 2.81Å; I251-N257 WeakPolarHBondContact CG2-OD1 3.45Å; I251-L260 HydrophobicContact CD1-CD1 4.38Å | ||
| 252 | G | 97.9 | Very high | 97.5 | Very high | 72 Ų | 72 | 83.4 Ų | 83.4 | 74% | 0.742 | 43% | 0.429 | S | S | * | . | trans | 75 | -69.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 253 | K | 98.1 | Very high | 97.5 | Very high | 123 Ų | 123 | 89.1 Ų | 89.1 | 54% | 0.535 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -123.1 | 150.8 | -176.5 | 68.8 | -178.3 | -179.7 | -176.8 | 0 | 113.3 | I251 G255 R256 | I251-K253 VanDerWaalsContact C-N 3.3Å; I251-K253 PolarHBondContact O-N 2.96Å; K253-G255 PolarHBondContact O-N 3.43Å; K253-G255 VanDerWaalsContact O-N 3.14Å; K253-R256 WeakPolarHBondContact O-CB 3.48Å; K253-R256 PolarHBondContact O-N 2.97Å |
| 254 | A | 97.6 | Very high | 97.5 | Very high | 79 Ų | 79 | 91.2 Ų | 91.2 | 65% | 0.653 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -55.6 | -33.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R256 N257 R258 | A254-R256 PolarHBondContact O-N 3.09Å; A254-N257 WeakPolarHBondContact O-CB 3.25Å; A254-N257 PolarHBondContact O-N 3.18Å; A254-N257 VanDerWaalsContact O-N 3.13Å; A254-R258 PolarHBondContact O-N 3.33Å |
| 255 | G | 98 | Very high | 97.4 | Very high | 29 Ų | 29 | 94.2 Ų | 94.2 | 30% | 0.299 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.1 | -32.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | K253 N257 R258 W259 | K253-G255 PolarHBondContact O-N 3.43Å; K253-G255 VanDerWaalsContact O-N 3.14Å; G255-N257 VanDerWaalsContact C-N 3.35Å; G255-N257 PolarHBondContact O-N 3.4Å; G255-R258 WeakPolarHBondContact O-CA 3.27Å; G255-R258 WeakPolarHBondContact O-CB 3.49Å; G255-R258 PolarHBondContact O-N 2.98Å; G255-R258 VanDerWaalsContact O-N 3.09Å; G255-W259 PolarHBondContact O-N 3.48Å |
| 256 | R | 97.5 | Very high | 97.4 | Very high | 82 Ų | 82 | 94.1 Ų | 94.1 | 31% | 0.309 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.8 | -36.9 | 177.8 | -173.4 | 175 | -70.7 | 153.5 | -5.3 | 111.4 | I250 I251 K253 A254 R258 W259 L260 | I250-R256 PolarHBondContact O-NH1 2.88Å; I251-R256 VanDerWaalsContact C-NH1 3.33Å; I251-R256 HydrophobicContact CG2-CB 3.92Å; I251-R256 HydrophobicContact CG2-CG 4.26Å; I251-R256 VanDerWaalsContact O-CD 3.25Å; I251-R256 WeakPolarHBondContact O-CD 3.36Å; I251-R256 PolarHBondContact O-NE 3.42Å; I251-R256 PolarHBondContact O-NH1 2.81Å; K253-R256 WeakPolarHBondContact O-CB 3.48Å; K253-R256 PolarHBondContact O-N 2.97Å; A254-R256 PolarHBondContact O-N 3.09Å; R256-R258 VanDerWaalsContact C-N 3.3Å; R256-R258 PolarHBondContact O-N 3.37Å; R256-W259 HydrophobicContact CB-CE3 4.27Å; R256-W259 HydrophobicContact CG-CE3 4.27Å; R256-W259 WeakPolarHBondContact O-CB 3.16Å; R256-W259 PolarHBondContact O-N 3.09Å; R256-L260 WeakPolarHBondContact O-CG 3.36Å; R256-L260 PolarHBondContact O-N 2.92Å; R256-L260 VanDerWaalsContact O-N 3.11Å |
| 257 | N | 97.6 | Very high | 97.3 | Very high | 59 Ų | 59 | 94.6 Ų | 94.6 | 32% | 0.316 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.7 | -37.3 | 170.8 | -76.2 | -18.2 | 0 | 0 | 0 | 111.9 | I251 A254 G255 W259 L260 G261 I262 | I251-N257 WeakPolarHBondContact CG2-OD1 3.45Å; A254-N257 WeakPolarHBondContact O-CB 3.25Å; A254-N257 PolarHBondContact O-N 3.18Å; A254-N257 VanDerWaalsContact O-N 3.13Å; G255-N257 VanDerWaalsContact C-N 3.35Å; G255-N257 PolarHBondContact O-N 3.4Å; N257-W259 VanDerWaalsContact C-N 3.33Å; N257-W259 PolarHBondContact O-N 3.32Å; N257-L260 PolarHBondContact O-N 3.06Å; N257-G261 PolarHBondContact O-N 3.28Å; N257-I262 HydrophobicContact CB-CB 4.41Å; N257-I262 PolarHBondContact O-N 2.83Å |
| 258 | R | 97.6 | Very high | 97.4 | Very high | 124 Ų | 124 | 94 Ų | 94 | 47% | 0.468 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.3 | -37.9 | 174.8 | -57.4 | -51.7 | -55.8 | -83.8 | -6.2 | 111.8 | G92 A254 G255 R256 L260 G261 I262 | G92-R258 WeakPolarHBondContact CA-O 3.31Å; G92-R258 PolarHBondContact N-O 3.45Å; A254-R258 PolarHBondContact O-N 3.33Å; G255-R258 WeakPolarHBondContact O-CA 3.27Å; G255-R258 WeakPolarHBondContact O-CB 3.49Å; G255-R258 PolarHBondContact O-N 2.98Å; G255-R258 VanDerWaalsContact O-N 3.09Å; R256-R258 VanDerWaalsContact C-N 3.3Å; R256-R258 PolarHBondContact O-N 3.37Å; R258-L260 VanDerWaalsContact C-N 3.33Å; R258-G261 PolarHBondContact O-N 2.82Å; R258-G261 VanDerWaalsContact O-N 3.07Å; R258-I262 WeakPolarHBondContact CD-O 3.31Å |
| 259 | W | 97.8 | Very high | 97.4 | Very high | 145 Ų | 145 | 96 Ų | 96 | 55% | 0.549 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.5 | -35.9 | 174.3 | -59.7 | -22.6 | 0 | 0 | 0 | 112.9 | G92 H93 G255 R256 N257 G261 | G92-W259 CarbonylContact C-O 3.55Å; G92-W259 WeakPolarHBondContact CA-O 3.49Å; H93-W259 PolarHBondContact N-O 3.12Å; G255-W259 PolarHBondContact O-N 3.48Å; R256-W259 HydrophobicContact CB-CE3 4.27Å; R256-W259 HydrophobicContact CG-CE3 4.27Å; R256-W259 WeakPolarHBondContact O-CB 3.16Å; R256-W259 PolarHBondContact O-N 3.09Å; N257-W259 VanDerWaalsContact C-N 3.33Å; N257-W259 PolarHBondContact O-N 3.32Å; W259-G261 PolarHBondContact O-N 3.23Å |
| 260 | L | 96.6 | Very high | 97.4 | Very high | 73 Ų | 73 | 97.3 Ų | 97.3 | 38% | 0.382 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -8.6 | 173 | -64.2 | 174.1 | 0 | 0 | 0 | 113.2 | I251 R256 N257 R258 I262 | I251-L260 HydrophobicContact CD1-CD1 4.38Å; R256-L260 WeakPolarHBondContact O-CG 3.36Å; R256-L260 PolarHBondContact O-N 2.92Å; R256-L260 VanDerWaalsContact O-N 3.11Å; N257-L260 PolarHBondContact O-N 3.06Å; R258-L260 VanDerWaalsContact C-N 3.33Å; L260-I262 HydrophobicContact CB-CD1 4.22Å; L260-I262 HydrophobicContact CB-CG1 4.32Å |
| 261 | G | 96.6 | Very high | 97.4 | Very high | 9 Ų | 9 | 100 Ų | 100 | 9% | 0.093 | 53% | 0.533 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | 21.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | G90 N257 R258 W259 | G90-G261 PolarHBondContact N-O 2.97Å; G90-G261 CarbonylContact O-C 3.59Å; G90-G261 WeakPolarHBondContact O-CA 3.33Å; N257-G261 PolarHBondContact O-N 3.28Å; R258-G261 PolarHBondContact O-N 2.82Å; R258-G261 VanDerWaalsContact O-N 3.07Å; W259-G261 PolarHBondContact O-N 3.23Å |
| 262 | I | 97.6 | Very high | 97.5 | Very high | 85 Ų | 85 | 105.8 Ų | 105.8 | 44% | 0.436 | 56% | 0.556 | S | S | . | * | B | Isolated β-bridge | trans | -96.2 | 122.2 | 176.3 | -56.2 | 170.7 | 0 | 0 | 0 | 108.2 | G88 N257 R258 L260 | G88-I262 CarbonylContact O-C 3.44Å; G88-I262 WeakPolarHBondContact O-CA 3.4Å; N257-I262 HydrophobicContact CB-CB 4.41Å; N257-I262 PolarHBondContact O-N 2.83Å; R258-I262 WeakPolarHBondContact CD-O 3.31Å; L260-I262 HydrophobicContact CB-CD1 4.22Å; L260-I262 HydrophobicContact CB-CG1 4.32Å |
| 263 | R | 97.1 | Very high | 97.5 | Very high | 125 Ų | 125 | 104 Ų | 104 | 47% | 0.472 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -87.5 | 153.8 | 175.7 | -67.7 | 172.8 | 63.9 | 179.5 | 1.8 | 110.2 | G88 I89 | G88-R263 PolarHBondContact O-N 2.83Å; I89-R263 WeakPolarHBondContact O-CD 3.29Å |
| 264 | P | 97.8 | Very high | 97.4 | Very high | 99 Ų | 99 | 101.3 Ų | 101.3 | 64% | 0.643 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 153.3 | 175.2 | 27.4 | -35.7 | 0 | 0 | 0 | 111.7 | ||
| 265 | S | 96.7 | Very high | 97.4 | Very high | 117 Ų | 117 | 107.4 Ų | 107.4 | 82% | 0.818 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 159.1 | 170.9 | -62.2 | 0 | 0 | 0 | 0 | 111.2 | ||
| 266 | S | 96.2 | Very high | 97.4 | Very high | 88 Ų | 88 | 107.3 Ų | 107.3 | 62% | 0.615 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 142.7 | 173.7 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | L268 | S266-L268 PolarHBondContact O-N 3.04Å; S266-L268 WeakPolarHBondContact OG-CB 3.46Å; S266-L268 PolarHBondContact OG-N 3.38Å |
| 267 | G | 97.1 | Very high | 97.4 | Very high | 84 Ų | 84 | 106.5 Ų | 106.5 | 87% | 0.866 | 57% | 0.565 | S | S | * | * | trans | -75.8 | -0.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | W269 | G267-W269 PolarHBondContact O-N 3.18Å; G267-W269 VanDerWaalsContact O-N 3.12Å | ||
| 268 | L | 97.9 | Very high | 97.4 | Very high | 116 Ų | 116 | 114.6 Ų | 114.6 | 61% | 0.607 | 59% | 0.591 | S | S | * | * | trans | -65.5 | 112.8 | 177.1 | 179.7 | 65.3 | 0 | 0 | 0 | 110 | S266 K270 | S266-L268 PolarHBondContact O-N 3.04Å; S266-L268 WeakPolarHBondContact OG-CB 3.46Å; S266-L268 PolarHBondContact OG-N 3.38Å; L268-K270 HydrophobicContact CG-CG 4.44Å | ||
| 269 | W | 98 | Very high | 97.4 | Very high | 192 Ų | 192 | 114.5 Ų | 114.5 | 73% | 0.727 | 59% | 0.594 | S | S | * | * | trans | -67.9 | 138.4 | 171.8 | -178.7 | 90.7 | 0 | 0 | 0 | 110.6 | G267 R271 | G267-W269 PolarHBondContact O-N 3.18Å; G267-W269 VanDerWaalsContact O-N 3.12Å; W269-R271 HydrophobicContact CH2-CB 3.77Å; W269-R271 HydrophobicContact CH2-CG 4.25Å; W269-R271 HydrophobicContact CZ2-CB 4.42Å; W269-R271 HydrophobicContact CZ3-CB 4.16Å | ||
| 270 | K | 97.4 | Very high | 97.3 | Very high | 150 Ų | 150 | 114.6 Ų | 114.6 | 65% | 0.652 | 60% | 0.604 | S | S | * | * | trans | -134.2 | 133.2 | 176 | -63.8 | -173.8 | 178.2 | -169.4 | 0 | 109.4 | L268 K272 | L268-K270 HydrophobicContact CG-CG 4.44Å; K270-K272 PolarHBondContact O-N 3.36Å | ||
| 271 | R | 97.8 | Very high | 97.4 | Very high | 196 Ų | 196 | 119.3 Ų | 119.3 | 74% | 0.74 | 62% | 0.621 | S | S | * | * | trans | -63.5 | 133 | 171.5 | -166.2 | -179.8 | -64.6 | 102.8 | -0.4 | 109.6 | W269 | W269-R271 HydrophobicContact CH2-CB 3.77Å; W269-R271 HydrophobicContact CH2-CG 4.25Å; W269-R271 HydrophobicContact CZ2-CB 4.42Å; W269-R271 HydrophobicContact CZ3-CB 4.16Å | ||
| 272 | K | 98.3 | Very high | 97.4 | Very high | 175 Ų | 175 | 124.7 Ų | 124.7 | 76% | 0.761 | 65% | 0.654 | S | S | * | * | trans | -63.9 | 134.2 | 172 | -68 | 177.5 | -178 | 173.2 | 0 | 108.8 | K270 A276 | K270-K272 PolarHBondContact O-N 3.36Å; K272-A276 HydrophobicContact CB-CB 3.89Å; K272-A276 HydrophobicContact CD-CB 4.35Å; K272-A276 HydrophobicContact CG-CB 4.31Å | ||
| 273 | G | 97.6 | Very high | 97.4 | Very high | 34 Ų | 34 | 126.5 Ų | 126.5 | 35% | 0.351 | 66% | 0.664 | S | S | . | * | trans | -101.4 | -172.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | W275 A276 | G273-W275 PolarHBondContact O-N 2.95Å; G273-W275 VanDerWaalsContact O-N 3.09Å; G273-A276 VanDerWaalsContact O-CB 3.31Å; G273-A276 WeakPolarHBondContact O-CB 3.27Å; G273-A276 PolarHBondContact O-N 3.41Å | ||
| 274 | G | 97.6 | Very high | 97.4 | Very high | 67 Ų | 67 | 123.7 Ų | 123.7 | 69% | 0.691 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -13.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | A276 K279 | G274-A276 VanDerWaalsContact C-N 3.28Å; G274-K279 WeakPolarHBondContact O-CE 3.42Å; G274-K279 PolarHBondContact O-NZ 2.78Å |
| 275 | W | 96.9 | Very high | 97.4 | Very high | 207 Ų | 207 | 124.3 Ų | 124.3 | 78% | 0.784 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -24.1 | 171.1 | 62.5 | -95.3 | 0 | 0 | 0 | 112.7 | G273 | G273-W275 PolarHBondContact O-N 2.95Å; G273-W275 VanDerWaalsContact O-N 3.09Å |
| 276 | A | 97.3 | Very high | 97.4 | Very high | 27 Ų | 27 | 122.3 Ų | 122.3 | 22% | 0.223 | 65% | 0.645 | C | S | . | * | trans | -74.1 | 162.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | K272 G273 G274 | K272-A276 HydrophobicContact CB-CB 3.89Å; K272-A276 HydrophobicContact CD-CB 4.35Å; K272-A276 HydrophobicContact CG-CB 4.31Å; G273-A276 VanDerWaalsContact O-CB 3.31Å; G273-A276 WeakPolarHBondContact O-CB 3.27Å; G273-A276 PolarHBondContact O-N 3.41Å; G274-A276 VanDerWaalsContact C-N 3.28Å | ||
| 277 | G | 97.2 | Very high | 97.4 | Very high | 65 Ų | 65 | 122.6 Ų | 122.6 | 67% | 0.67 | 64% | 0.635 | S | S | * | * | S | Bend | trans | 93.8 | 161.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113 | K279 | G277-K279 PolarHBondContact O-N 2.66Š|
| 278 | R | 97.9 | Very high | 97.4 | Very high | 228 Ų | 228 | 121.3 Ų | 121.3 | 86% | 0.86 | 61% | 0.613 | S | S | * | * | trans | -66.8 | 127.5 | -179.1 | -174.6 | 177.6 | -178.1 | 178.8 | -0.6 | 109.4 | I280 | R278-I280 HydrophobicContact CG-CG1 4.39Š| ||
| 279 | K | 97.3 | Very high | 97.2 | Very high | 123 Ų | 123 | 118 Ų | 118 | 54% | 0.535 | 59% | 0.592 | S | S | . | * | trans | -113.2 | 111.9 | 173.6 | -53.9 | -58.9 | -178.5 | -177.3 | 0 | 108.4 | G274 G277 | G274-K279 WeakPolarHBondContact O-CE 3.42Å; G274-K279 PolarHBondContact O-NZ 2.78Å; G277-K279 PolarHBondContact O-N 2.66Å | ||
| 280 | I | 97.6 | Very high | 96.9 | Very high | 146 Ų | 146 | 110.3 Ų | 110.3 | 75% | 0.749 | 57% | 0.567 | S | S | * | * | trans | -88.3 | 109.3 | 173.6 | -57.5 | 175.3 | 0 | 0 | 0 | 106.1 | R278 | R278-I280 HydrophobicContact CG-CG1 4.39Š| ||
| 281 | K | 97.2 | Very high | 96.4 | Very high | 173 Ų | 173 | 109.9 Ų | 109.9 | 75% | 0.752 | 57% | 0.572 | S | S | * | * | trans | -114.8 | 146.1 | 178.4 | -64.9 | -174.1 | 178.2 | -173.1 | 0 | 108.8 | ||||
| 282 | P | 97.8 | Very high | 95.3 | Very high | 122 Ų | 122 | 107.8 Ų | 107.8 | 79% | 0.792 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 160.5 | 168.4 | 29.2 | -35 | 0 | 0 | 0 | 110 | ||
| 283 | L | 96.9 | Very high | 94.2 | Very high | 123 Ų | 123 | 105 Ų | 105 | 64% | 0.644 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 137.2 | 173 | -72 | 171.9 | 0 | 0 | 0 | 109.4 | K225 | K225-L283 HydrophobicContact CB-CD2 4.37Š|
| 284 | P | 97.1 | Very high | 92.7 | Very high | 66 Ų | 66 | 108 Ų | 108 | 43% | 0.429 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -61.7 | 152.6 | 174.9 | 28.1 | -34.7 | 0 | 0 | 0 | 109.9 | Q226 | Q226-P284 HydrophobicContact CB-CG 4.43Å; Q226-P284 HydrophobicContact CG-CG 4.02Å |
| 285 | P | 97.4 | Very high | 91.2 | Very high | 112 Ų | 112 | 112.8 Ų | 112.8 | 73% | 0.727 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 157.8 | 177.6 | 26.4 | -34.8 | 0 | 0 | 0 | 111.3 | K287 | P285-K287 PolarHBondContact O-N 3.17Š|
| 286 | M | 97.1 | Very high | 89.2 | Confident | 74 Ų | 74 | 107.2 Ų | 107.2 | 37% | 0.365 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 133.3 | 176 | -179.7 | 179 | 74.6 | 0 | 0 | 110 | I219 Q227 Q229 | I219-M286 HydrophobicContact CD1-CE 4.48Å; I219-M286 HydrophobicContact CD1-SD 3.83Å; I219-M286 HydrophobicContact CG1-SD 4.03Å; I219-M286 HydrophobicContact CG2-SD 4.01Å; Q227-M286 HydrophobicContact CB-CB 4.2Å; Q227-M286 HydrophobicContact CB-CG 3.94Å; Q227-M286 WeakPolarHBondContact O-CA 3.34Å; Q229-M286 HydrophobicContact CB-CE 4.02Å; Q229-M286 HydrophobicContact CB-SD 4.06Å |
| 287 | K | 96.6 | Very high | 86.9 | Confident | 94 Ų | 94 | 110.3 Ų | 110.3 | 41% | 0.409 | 62% | 0.616 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.6 | 118.6 | 176.9 | -168.2 | 172.4 | -175.6 | -176.4 | 0 | 109.9 | Q227 V228 Q229 P285 Y289 | Q227-K287 PolarHBondContact O-N 3.29Å; V228-K287 CarbonylContact C-O 3.49Å; V228-K287 VanDerWaalsContact CA-O 3.29Å; V228-K287 WeakPolarHBondContact CA-O 3.13Å; V228-K287 HydrophobicContact CG2-CB 4.4Å; Q229-K287 PolarHBondContact N-O 2.74Å; P285-K287 PolarHBondContact O-N 3.17Å; K287-Y289 HydrophobicContact CD-CE2 3.91Å; K287-Y289 WeakPolarHBondContact CD-OH 3.3Å; K287-Y289 VanDerWaalsContact CE-CZ 3.48Å; K287-Y289 WeakPolarHBondContact CE-OH 3.33Å; K287-Y289 HydrophobicContact CG-CE2 3.94Å; K287-Y289 PolarHBondContact NZ-OH 2.79Å |
| 288 | S | 96.1 | Very high | 84.4 | Confident | 58 Ų | 58 | 118.2 Ų | 118.2 | 41% | 0.406 | 64% | 0.643 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.4 | 136 | 175.5 | -167.5 | 0 | 0 | 0 | 0 | 111.7 | Q229 V290 | Q229-S288 PolarHBondContact OE1-OG 2.71Å; S288-V290 PolarHBondContact OG-N 2.7Å |
| 289 | Y | 94.8 | Very high | 83.7 | Confident | 45 Ų | 45 | 112.7 Ų | 112.7 | 18% | 0.176 | 63% | 0.632 | C | S | . | * | trans | -111.8 | 8.9 | 172.7 | -68.7 | -80.3 | 0 | 0 | 0 | 112.6 | I192 Y200 V228 Q229 K287 | I192-Y289 HydrophobicContact CG2-CD1 3.28Å; I192-Y289 HydrophobicContact CG2-CD2 3.93Å; I192-Y289 HydrophobicContact CG2-CE1 3.54Å; I192-Y289 HydrophobicContact CG2-CE2 4.17Å; I192-Y289 HydrophobicContact CG2-CG 3.46Å; I192-Y289 VanDerWaalsContact CG2-CG 3.46Å; Y200-Y289 HydrophobicContact CE2-CE2 4.39Å; Y200-Y289 PolarHBondContact OH-OH 2.78Å; V228-Y289 HydrophobicContact CG1-CD2 3.45Å; V228-Y289 VanDerWaalsContact CG1-CD2 3.45Å; V228-Y289 HydrophobicContact CG1-CE2 3.39Å; Q229-Y289 PolarHBondContact O-N 2.8Å; K287-Y289 HydrophobicContact CD-CE2 3.91Å; K287-Y289 WeakPolarHBondContact CD-OH 3.3Å; K287-Y289 VanDerWaalsContact CE-CZ 3.48Å; K287-Y289 WeakPolarHBondContact CE-OH 3.33Å; K287-Y289 HydrophobicContact CG-CE2 3.94Å; K287-Y289 PolarHBondContact NZ-OH 2.79Å | ||
| 290 | V | 92.2 | Very high | 83 | Confident | 32 Ų | 32 | 112.2 Ų | 112.2 | 19% | 0.194 | 64% | 0.637 | C | S | . | * | trans | -90.8 | 123.1 | 178.1 | -177.1 | 0 | 0 | 0 | 0 | 107.3 | T217 Q229 L231 S288 L292 | T217-V290 HydrophobicContact CG2-CB 4.43Å; T217-V290 HydrophobicContact CG2-CG1 4.08Å; T217-V290 HydrophobicContact CG2-CG2 3.65Å; Q229-V290 HydrophobicContact CG-CG2 4.08Å; L231-V290 HydrophobicContact CD2-CG1 4.18Å; L231-V290 HydrophobicContact CD2-CG2 4.11Å; S288-V290 PolarHBondContact OG-N 2.7Å; V290-L292 PolarHBondContact O-N 2.85Å | ||
| 291 | N | 86.8 | Confident | 82.2 | Confident | 140 Ų | 140 | 110.3 Ų | 110.3 | 75% | 0.749 | 63% | 0.631 | S | S | * | * | trans | -77.3 | 115.2 | 169.8 | -63.5 | -19.1 | 0 | 0 | 0 | 106.6 | ||||
| 292 | L | 74.5 | Confident | 81.3 | Confident | 152 Ų | 152 | 106.6 Ų | 106.6 | 80% | 0.796 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 136.9 | 168.9 | -66 | 172.3 | 0 | 0 | 0 | 107.6 | V290 S294 | V290-L292 PolarHBondContact O-N 2.85Å; L292-S294 PolarHBondContact O-N 2.88Å |
| 293 | P | 75.3 | Confident | 80.3 | Confident | 116 Ų | 116 | 105.6 Ų | 105.6 | 75% | 0.753 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 131.7 | 168.8 | 24.4 | -31.4 | 0 | 0 | 0 | 107.6 | I295 | P293-I295 PolarHBondContact O-N 2.76Š|
| 294 | S | 65.6 | Low | 79.2 | Confident | 97 Ų | 97 | 104.5 Ų | 104.5 | 68% | 0.678 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 132.8 | 169.3 | 49.4 | 0 | 0 | 0 | 0 | 107.1 | L292 S296 | L292-S294 PolarHBondContact O-N 2.88Å; S294-S296 PolarHBondContact O-N 3.09Å |
| 295 | I | 66.4 | Low | 77.9 | Confident | 169 Ų | 169 | 107.2 Ų | 107.2 | 87% | 0.867 | 62% | 0.624 | S | S | * | * | trans | -65.7 | 85.1 | 171 | -58.6 | 166.6 | 0 | 0 | 0 | 105.5 | P293 A297 | P293-I295 PolarHBondContact O-N 2.76Å; I295-A297 VanDerWaalsContact C-N 3.34Å; I295-A297 PolarHBondContact O-N 3.08Å; I295-A297 VanDerWaalsContact O-N 3.11Å | ||
| 296 | S | 53.8 | Low | 76.4 | Confident | 90 Ų | 90 | 106.8 Ų | 106.8 | 63% | 0.629 | 62% | 0.616 | S | S | * | * | trans | -68.8 | 103.1 | 162.4 | -52.6 | 0 | 0 | 0 | 0 | 104 | S294 N298 | S294-S296 PolarHBondContact O-N 3.09Å; S296-N298 PolarHBondContact O-N 3.34Å; S296-N298 VanDerWaalsContact O-N 3.12Å | ||
| 297 | A | 49.8 | Very low | 74.6 | Confident | 92 Ų | 92 | 109.6 Ų | 109.6 | 76% | 0.76 | 64% | 0.637 | S | S | * | * | trans | -55.9 | 115.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | I295 | I295-A297 VanDerWaalsContact C-N 3.34Å; I295-A297 PolarHBondContact O-N 3.08Å; I295-A297 VanDerWaalsContact O-N 3.11Å | ||
| 298 | N | 43.9 | Very low | 72.6 | Confident | 230 Ų | 230 | 111 Ų | 111 | 100% | 1.23 | 66% | 0.658 | S | S | * | * | trans | -73.1 | 0 | 160.1 | -72.6 | -17.6 | 0 | 0 | 0 | 108.8 | S296 | S296-N298 PolarHBondContact O-N 3.34Å; S296-N298 VanDerWaalsContact O-N 3.12Å |
Retrieved 298 of 298 residues in 104.7 ms
(Link to these results)