| 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 | 34.8 | Very low | 29.9 | Very low | 224 Ų | 224 | 157.6 Ų | 157.6 | 100% | 1.103 | 83% | 0.833 | S | S | * | * | 0 | 123 | 0 | -77.3 | 172.4 | -92.5 | 0 | 0 | 108.1 | |||||
| 2 | L | 26.6 | Very low | 29.4 | Very low | 183 Ų | 183 | 158.9 Ų | 158.9 | 96% | 0.958 | 83% | 0.826 | S | S | * | * | trans | -127.6 | 103.8 | 163.7 | -87 | 156.7 | 0 | 0 | 0 | 103.1 | ||||
| 3 | E | 27.9 | Very low | 29.1 | Very low | 177 Ų | 177 | 157.8 Ų | 157.8 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | trans | -87.2 | 157.6 | -173.5 | -75.2 | -177.8 | 95.4 | 0 | 0 | 112 | ||||
| 4 | A | 34.8 | Very low | 28.6 | Very low | 100 Ų | 100 | 154.9 Ų | 154.9 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | -72.3 | 135.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | K6 | A4-K6 PolarHBondContact O-N 3.31Š| ||
| 5 | E | 29.1 | Very low | 28.3 | Very low | 155 Ų | 155 | 154.7 Ų | 154.7 | 72% | 0.724 | 81% | 0.806 | S | S | * | * | trans | -76.9 | 113.9 | 176.5 | -80.7 | -162.2 | 115.6 | 0 | 0 | 112.7 | V7 | E5-V7 HydrophobicContact CB-CG2 3.97Š| ||
| 6 | K | 48.7 | Very low | 28.2 | Very low | 209 Ų | 209 | 159 Ų | 159 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -69.2 | 114.6 | 139 | -71.1 | 172 | 178.1 | 168.7 | 0 | 107.2 | A4 | A4-K6 PolarHBondContact O-N 3.31Š| ||
| 7 | V | 28.4 | Very low | 28.1 | Very low | 111 Ų | 111 | 153.6 Ų | 153.6 | 67% | 0.673 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -87.6 | 114.9 | -164.6 | -179.7 | 0 | 0 | 0 | 0 | 113.9 | E5 | E5-V7 HydrophobicContact CB-CG2 3.97Š|
| 8 | V | 25.1 | Very low | 27.9 | Very low | 140 Ų | 140 | 155.5 Ų | 155.5 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | -149.3 | 137 | 138.4 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 9 | A | 24.2 | Very low | 27.8 | Very low | 76 Ų | 76 | 153 Ų | 153 | 63% | 0.628 | 79% | 0.791 | S | S | * | * | trans | -109.5 | 165.4 | -162.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 10 | T | 24.9 | Very low | 27.7 | Very low | 131 Ų | 131 | 152.1 Ų | 152.1 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -166.9 | 126.9 | 136.6 | 13 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 11 | R | 24.4 | Very low | 27.6 | Very low | 228 Ų | 228 | 152.7 Ų | 152.7 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | 35.7 | 141.9 | 135.2 | -66.2 | 178.6 | 172.4 | 177.9 | -2.1 | 119.8 | ||||
| 12 | K | 23.7 | Very low | 28 | Very low | 173 Ų | 173 | 146.7 Ų | 146.7 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | cis | -177.7 | 150.5 | 32.7 | -142.2 | -173.6 | 175.6 | -172.3 | 0 | 113.9 | ||||
| 13 | I | 25.1 | Very low | 28.1 | Very low | 144 Ų | 144 | 144.6 Ų | 144.6 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | 59.7 | 172.4 | 166.5 | -9 | 179.5 | 0 | 0 | 0 | 114.6 | ||||
| 14 | T | 22.3 | Very low | 28.3 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | cis | -151.5 | 147.9 | 1.9 | -44.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 15 | Q | 24 | Very low | 28 | Very low | 153 Ų | 153 | 142.9 Ų | 142.9 | 72% | 0.715 | 75% | 0.75 | S | S | * | * | cis | 107.5 | 118.1 | 20.5 | -144.1 | -152.8 | 43.4 | 0 | 0 | 115.3 | ||||
| 16 | R | 26.7 | Very low | 28 | Very low | 223 Ų | 223 | 143 Ų | 143 | 84% | 0.842 | 75% | 0.748 | S | S | * | * | trans | 68.7 | 160.4 | 165.9 | -76.1 | 179.3 | 158.9 | 172.6 | -6.3 | 119.1 | ||||
| 17 | A | 26.4 | Very low | 27 | Very low | 68 Ų | 68 | 140.9 Ų | 140.9 | 56% | 0.562 | 74% | 0.741 | S | S | * | * | cis | -177.5 | 178.6 | -28.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 18 | F | 25.6 | Very low | 27 | Very low | 187 Ų | 187 | 141.9 Ų | 141.9 | 82% | 0.82 | 75% | 0.747 | S | S | * | * | trans | 71.1 | 124.2 | 172.5 | -65.3 | -88 | 0 | 0 | 0 | 115.4 | ||||
| 19 | C | 26 | Very low | 27.1 | Very low | 108 Ų | 108 | 142.9 Ų | 142.9 | 73% | 0.73 | 74% | 0.742 | S | S | * | * | 83.7 | 117.8 | 53.9 | -67.3 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 20 | C | 25.8 | Very low | 27.2 | Very low | 135 Ų | 135 | 146.7 Ų | 146.7 | 91% | 0.912 | 75% | 0.751 | S | S | * | * | trans | -164 | 130.2 | 143.1 | -97.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 21 | L | 25.4 | Very low | 27.5 | Very low | 165 Ų | 165 | 148.6 Ų | 148.6 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | trans | -125.1 | 174.5 | 155 | -92 | 170.9 | 0 | 0 | 0 | 104.5 | ||||
| 22 | P | 43.8 | Very low | 27.7 | Very low | 97 Ų | 97 | 145 Ų | 145 | 63% | 0.63 | 75% | 0.746 | S | S | * | * | cis | -133.2 | -142.3 | 8.2 | 23.9 | 4.3 | 0 | 0 | 0 | 111.9 | ||||
| 23 | D | 27.9 | Very low | 28.3 | Very low | 139 Ų | 139 | 148.5 Ų | 148.5 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | trans | 86.2 | 128.8 | 158.6 | -53.9 | -9.4 | 0 | 0 | 0 | 116.4 | ||||
| 24 | D | 31.6 | Very low | 28.8 | Very low | 134 Ų | 134 | 149.1 Ų | 149.1 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | cis | 174.8 | 169.2 | -9.9 | -134 | -2.6 | 0 | 0 | 0 | 104.1 | ||||
| 25 | L | 29.3 | Very low | 29.8 | Very low | 107 Ų | 107 | 149.6 Ų | 149.6 | 56% | 0.56 | 76% | 0.759 | S | S | * | * | cis | -171.9 | 153.4 | 15.3 | -169.7 | 53.6 | 0 | 0 | 0 | 110.7 | ||||
| 26 | K | 28.4 | Very low | 30.7 | Very low | 157 Ų | 157 | 147.5 Ų | 147.5 | 68% | 0.683 | 75% | 0.752 | S | S | * | * | trans | 65.7 | 155.1 | 161.6 | -76.1 | 150.9 | -165.6 | 163.8 | 0 | 118.8 | ||||
| 27 | H | 28.1 | Very low | 31.8 | Very low | 166 Ų | 166 | 140.7 Ų | 140.7 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | cis | -131.3 | 174 | -3.1 | -86.1 | -64.9 | 0 | 0 | 0 | 108.5 | ||||
| 28 | V | 27.8 | Very low | 33 | Very low | 131 Ų | 131 | 140.7 Ų | 140.7 | 79% | 0.794 | 74% | 0.735 | S | S | * | * | cis | -141.2 | 148.4 | 21.7 | 178.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 29 | E | 27.9 | Very low | 34.2 | Very low | 161 Ų | 161 | 137.1 Ų | 137.1 | 75% | 0.752 | 72% | 0.724 | S | S | * | * | trans | -102.3 | 134.6 | 167.3 | -175.6 | -157 | 151.1 | 0 | 0 | 110.4 | ||||
| 30 | L | 26.6 | Very low | 35.3 | Very low | 156 Ų | 156 | 137.6 Ų | 137.6 | 82% | 0.817 | 72% | 0.718 | S | S | * | * | trans | -161.8 | 100.7 | 149.8 | -114.5 | 164.1 | 0 | 0 | 0 | 113.5 | ||||
| 31 | K | 31.5 | Very low | 36.6 | Very low | 171 Ų | 171 | 135.9 Ų | 135.9 | 74% | 0.743 | 70% | 0.7 | S | S | * | * | trans | 18.3 | 125 | 154.5 | -66.2 | 172.3 | 178.4 | 169.9 | 0 | 119.7 | ||||
| 32 | L | 27.5 | Very low | 38.1 | Very low | 154 Ų | 154 | 130.9 Ų | 130.9 | 81% | 0.806 | 68% | 0.679 | S | S | * | * | -149.9 | 126.6 | 116.2 | -113.4 | 157.9 | 0 | 0 | 0 | 110.4 | M34 | L32-M34 HydrophobicContact CD2-CG 4.42Š| |||
| 33 | R | 36.8 | Very low | 39 | Very low | 246 Ų | 246 | 131.8 Ų | 131.8 | 93% | 0.928 | 68% | 0.675 | S | S | * | * | trans | -97.2 | 114.6 | 166.9 | -77.7 | -176.4 | 177.9 | 176 | -1.8 | 107.9 | ||||
| 34 | M | 35.1 | Very low | 40.7 | Very low | 156 Ų | 156 | 129.8 Ų | 129.8 | 77% | 0.768 | 66% | 0.664 | S | S | * | * | trans | -133.8 | 147.9 | 154.6 | -69.5 | -166.1 | -68.4 | 0 | 0 | 108 | L32 | L32-M34 HydrophobicContact CD2-CG 4.42Š| ||
| 35 | T | 43.4 | Very low | 42.4 | Very low | 127 Ų | 127 | 129.3 Ų | 129.3 | 78% | 0.779 | 66% | 0.657 | S | S | * | * | trans | -92.3 | 107.5 | -176.2 | 46.4 | 0 | 0 | 0 | 0 | 109.7 | S37 | T35-S37 VanDerWaalsContact C-N 3.34Å; T35-S37 PolarHBondContact O-N 3.19Å | ||
| 36 | D | 43.7 | Very low | 44.2 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 58% | 0.583 | 66% | 0.657 | S | S | * | * | trans | -76.5 | 84.1 | 174.9 | -81.7 | -49.6 | 0 | 0 | 0 | 111.3 | S38 L39 | D36-S38 PolarHBondContact O-N 2.94Å; D36-L39 HydrophobicContact CB-CD1 4.07Å; D36-L39 HydrophobicContact CB-CG 4.31Å; D36-L39 PolarHBondContact O-N 2.93Å | ||
| 37 | S | 48.3 | Very low | 46.2 | Very low | 81 Ų | 81 | 127.2 Ų | 127.2 | 57% | 0.566 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -60.2 | -9.4 | 171 | -48.4 | 0 | 0 | 0 | 0 | 113.6 | T35 | T35-S37 VanDerWaalsContact C-N 3.34Å; T35-S37 PolarHBondContact O-N 3.19Å |
| 38 | S | 52.7 | Low | 48.5 | Very low | 67 Ų | 67 | 124.9 Ų | 124.9 | 47% | 0.469 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -72 | -45.3 | 174.4 | 44.7 | 0 | 0 | 0 | 0 | 112.6 | D36 L40 N41 S42 | D36-S38 PolarHBondContact O-N 2.94Å; S38-L40 PolarHBondContact O-N 3.17Å; S38-N41 PolarHBondContact O-N 3.03Å; S38-S42 PolarHBondContact O-N 2.96Å |
| 39 | L | 50.8 | Low | 50.5 | Low | 112 Ų | 112 | 125.1 Ų | 125.1 | 59% | 0.586 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -62.8 | -45.5 | -176.7 | -72.6 | 169.4 | 0 | 0 | 0 | 111.5 | D36 N41 S42 E43 | D36-L39 HydrophobicContact CB-CD1 4.07Å; D36-L39 HydrophobicContact CB-CG 4.31Å; D36-L39 PolarHBondContact O-N 2.93Å; L39-N41 VanDerWaalsContact C-N 3.26Å; L39-N41 PolarHBondContact O-N 2.88Å; L39-S42 PolarHBondContact O-N 2.86Å; L39-S42 VanDerWaalsContact O-N 3.15Å; L39-E43 WeakPolarHBondContact O-CG 3.44Å; L39-E43 PolarHBondContact O-N 2.93Å |
| 40 | L | 47.9 | Very low | 52.6 | Low | 118 Ų | 118 | 123.5 Ų | 123.5 | 62% | 0.618 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -58.2 | -35.1 | 176.7 | -96.9 | 162.1 | 0 | 0 | 0 | 113.1 | S38 L44 | S38-L40 PolarHBondContact O-N 3.17Å; L40-L44 WeakPolarHBondContact O-CB 3.44Å; L40-L44 PolarHBondContact O-N 2.68Å |
| 41 | N | 53.2 | Low | 55.3 | Low | 100 Ų | 100 | 122.7 Ų | 122.7 | 54% | 0.535 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -70.3 | -45.2 | 176.3 | -72.3 | -6 | 0 | 0 | 0 | 111 | S38 L39 E43 L44 E45 | S38-N41 PolarHBondContact O-N 3.03Å; L39-N41 VanDerWaalsContact C-N 3.26Å; L39-N41 PolarHBondContact O-N 2.88Å; N41-E43 VanDerWaalsContact C-N 3.35Å; N41-E43 PolarHBondContact O-N 2.78Å; N41-L44 WeakPolarHBondContact O-CB 3.04Å; N41-L44 PolarHBondContact O-N 2.98Å; N41-L44 VanDerWaalsContact O-N 3.14Å; N41-E45 WeakPolarHBondContact O-CG 3.47Å; N41-E45 PolarHBondContact O-N 3.16Å |
| 42 | S | 57.4 | Low | 57.8 | Low | 60 Ų | 60 | 120.1 Ų | 120.1 | 42% | 0.42 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66 | -34.5 | 178.9 | -62 | 0 | 0 | 0 | 0 | 113.1 | S38 L39 L44 E45 L46 | S38-S42 PolarHBondContact O-N 2.96Å; L39-S42 PolarHBondContact O-N 2.86Å; L39-S42 VanDerWaalsContact O-N 3.15Å; S42-L44 VanDerWaalsContact C-N 3.35Å; S42-E45 PolarHBondContact O-N 2.85Å; S42-L46 WeakPolarHBondContact O-CB 3.47Å; S42-L46 VanDerWaalsContact O-CG 3.27Å; S42-L46 WeakPolarHBondContact O-CG 3.45Å; S42-L46 PolarHBondContact O-N 3.33Å |
| 43 | E | 63.6 | Low | 60.1 | Low | 115 Ų | 115 | 119.6 Ų | 119.6 | 54% | 0.537 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.7 | -40.1 | 171 | -70.6 | 177.8 | 139.5 | 0 | 0 | 111.6 | L39 N41 Q47 | L39-E43 WeakPolarHBondContact O-CG 3.44Å; L39-E43 PolarHBondContact O-N 2.93Å; N41-E43 VanDerWaalsContact C-N 3.35Å; N41-E43 PolarHBondContact O-N 2.78Å; E43-Q47 WeakPolarHBondContact O-CG 3.48Å; E43-Q47 PolarHBondContact O-N 3.07Å |
| 44 | L | 62.8 | Low | 62.2 | Low | 97 Ų | 97 | 113.7 Ų | 113.7 | 51% | 0.508 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -71.5 | -32.9 | 177.9 | -147.2 | 76.3 | 0 | 0 | 0 | 113 | L40 N41 S42 Q48 | L40-L44 WeakPolarHBondContact O-CB 3.44Å; L40-L44 PolarHBondContact O-N 2.68Å; N41-L44 WeakPolarHBondContact O-CB 3.04Å; N41-L44 PolarHBondContact O-N 2.98Å; N41-L44 VanDerWaalsContact O-N 3.14Å; S42-L44 VanDerWaalsContact C-N 3.35Å; L44-Q48 WeakPolarHBondContact O-CG 3.49Å; L44-Q48 PolarHBondContact O-N 3.37Å; L44-Q48 PolarHBondContact O-NE2 3.46Å |
| 45 | E | 66.8 | Low | 64.4 | Low | 124 Ų | 124 | 111.6 Ų | 111.6 | 58% | 0.579 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69.4 | -43.2 | 173.5 | -74.2 | 171.6 | 163.4 | 0 | 0 | 111.3 | N41 S42 Q48 Q49 | N41-E45 WeakPolarHBondContact O-CG 3.47Å; N41-E45 PolarHBondContact O-N 3.16Å; S42-E45 PolarHBondContact O-N 2.85Å; E45-Q48 PolarHBondContact O-N 3.37Å; E45-Q49 WeakPolarHBondContact O-CB 3.12Å; E45-Q49 PolarHBondContact O-N 2.92Å |
| 46 | L | 68.3 | Low | 66.1 | Low | 105 Ų | 105 | 110.7 Ų | 110.7 | 55% | 0.55 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.5 | -44.4 | 174.7 | -74.9 | 168.2 | 0 | 0 | 0 | 111.8 | S42 Q49 E50 | S42-L46 WeakPolarHBondContact O-CB 3.47Å; S42-L46 VanDerWaalsContact O-CG 3.27Å; S42-L46 WeakPolarHBondContact O-CG 3.45Å; S42-L46 PolarHBondContact O-N 3.33Å; L46-Q49 PolarHBondContact O-N 2.97Å; L46-E50 PolarHBondContact O-N 2.87Å |
| 47 | Q | 69 | Low | 67.7 | Low | 116 Ų | 116 | 108.9 Ų | 108.9 | 54% | 0.542 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 176.5 | -75.1 | 173.6 | 1.5 | 0 | 0 | 112.3 | E43 Q49 E50 E51 | E43-Q47 WeakPolarHBondContact O-CG 3.48Å; E43-Q47 PolarHBondContact O-N 3.07Å; Q47-Q49 VanDerWaalsContact C-N 3.29Å; Q47-Q49 PolarHBondContact O-N 2.91Å; Q47-E50 PolarHBondContact O-N 3.3Å; Q47-E51 PolarHBondContact O-N 2.95Å |
| 48 | Q | 77.8 | Confident | 69.1 | Low | 116 Ų | 116 | 110.6 Ų | 110.6 | 54% | 0.542 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.9 | -35.2 | 174.9 | -76.5 | 168.2 | 93.9 | 0 | 0 | 112.5 | L44 E45 L52 | L44-Q48 WeakPolarHBondContact O-CG 3.49Å; L44-Q48 PolarHBondContact O-N 3.37Å; L44-Q48 PolarHBondContact O-NE2 3.46Å; E45-Q48 PolarHBondContact O-N 3.37Å; Q48-L52 VanDerWaalsContact O-CB 3.31Å; Q48-L52 WeakPolarHBondContact O-CB 3.32Å; Q48-L52 PolarHBondContact O-N 2.79Å |
| 49 | Q | 69.7 | Low | 70.1 | Confident | 136 Ų | 136 | 112.6 Ų | 112.6 | 64% | 0.636 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -70.3 | -37.5 | 176.3 | -164.3 | 178.4 | -95.6 | 0 | 0 | 112 | E45 L46 Q47 Y53 | E45-Q49 WeakPolarHBondContact O-CB 3.12Å; E45-Q49 PolarHBondContact O-N 2.92Å; L46-Q49 PolarHBondContact O-N 2.97Å; Q47-Q49 VanDerWaalsContact C-N 3.29Å; Q47-Q49 PolarHBondContact O-N 2.91Å; Q49-Y53 VanDerWaalsContact O-CB 3.27Å; Q49-Y53 WeakPolarHBondContact O-CB 3.2Å; Q49-Y53 PolarHBondContact O-N 2.91Å |
| 50 | E | 72.7 | Confident | 70.8 | Confident | 128 Ų | 128 | 110.4 Ų | 110.4 | 60% | 0.598 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.9 | -42.5 | 172.5 | -73.5 | -169.9 | 165.7 | 0 | 0 | 112.2 | L46 Q47 Y53 Q54 | L46-E50 PolarHBondContact O-N 2.87Å; Q47-E50 PolarHBondContact O-N 3.3Å; E50-Y53 PolarHBondContact O-N 2.84Å; E50-Q54 WeakPolarHBondContact O-CB 3.34Å; E50-Q54 WeakPolarHBondContact O-CG 2.93Å; E50-Q54 PolarHBondContact O-N 2.92Å |
| 51 | E | 81.4 | Confident | 71.5 | Confident | 139 Ų | 139 | 109.9 Ų | 109.9 | 65% | 0.65 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62 | -43.6 | 174.1 | -74.6 | -169.5 | 160.8 | 0 | 0 | 111.9 | Q47 Y53 Q54 Q55 | Q47-E51 PolarHBondContact O-N 2.95Å; E51-Y53 VanDerWaalsContact C-N 3.34Å; E51-Y53 PolarHBondContact O-N 3.04Å; E51-Q54 PolarHBondContact O-N 3.49Å; E51-Q55 WeakPolarHBondContact O-CB 3.37Å; E51-Q55 PolarHBondContact O-N 2.98Å |
| 52 | L | 84.5 | Confident | 71.6 | Confident | 117 Ų | 117 | 106.8 Ų | 106.8 | 61% | 0.613 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.4 | -39.5 | 176.1 | -173 | 67.3 | 0 | 0 | 0 | 111.5 | Q48 Q55 M56 | Q48-L52 VanDerWaalsContact O-CB 3.31Å; Q48-L52 WeakPolarHBondContact O-CB 3.32Å; Q48-L52 PolarHBondContact O-N 2.79Å; L52-Q55 PolarHBondContact O-N 2.84Å; L52-M56 WeakPolarHBondContact O-CB 3.41Å; L52-M56 PolarHBondContact O-N 2.85Å |
| 53 | Y | 76.6 | Confident | 71.4 | Confident | 143 Ų | 143 | 111 Ų | 111 | 56% | 0.561 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66 | -44.5 | 175.5 | -179 | -109 | 0 | 0 | 0 | 111.9 | Q49 E50 E51 Q55 M56 L57 | Q49-Y53 VanDerWaalsContact O-CB 3.27Å; Q49-Y53 WeakPolarHBondContact O-CB 3.2Å; Q49-Y53 PolarHBondContact O-N 2.91Å; E50-Y53 PolarHBondContact O-N 2.84Å; E51-Y53 VanDerWaalsContact C-N 3.34Å; E51-Y53 PolarHBondContact O-N 3.04Å; Y53-Q55 VanDerWaalsContact C-N 3.35Å; Y53-Q55 PolarHBondContact O-N 2.91Å; Y53-M56 HydrophobicContact CD2-CE 4.39Å; Y53-M56 PolarHBondContact O-N 3.42Å; Y53-L57 HydrophobicContact CD1-CD1 3.89Å; Y53-L57 HydrophobicContact CE1-CD1 3.48Å; Y53-L57 VanDerWaalsContact CE1-CD1 3.48Å; Y53-L57 HydrophobicContact CE1-CG 4.21Å; Y53-L57 WeakPolarHBondContact O-CB 3Å; Y53-L57 WeakPolarHBondContact O-CG 3.37Å; Y53-L57 PolarHBondContact O-N 3.35Å |
| 54 | Q | 79.7 | Confident | 70.8 | Confident | 121 Ų | 121 | 111.6 Ų | 111.6 | 57% | 0.565 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.4 | -41.7 | 172.3 | -74.6 | -169.9 | 26.7 | 0 | 0 | 111.8 | E50 E51 L57 L58 | E50-Q54 WeakPolarHBondContact O-CB 3.34Å; E50-Q54 WeakPolarHBondContact O-CG 2.93Å; E50-Q54 PolarHBondContact O-N 2.92Å; E51-Q54 PolarHBondContact O-N 3.49Å; Q54-L57 PolarHBondContact O-N 2.84Å; Q54-L58 WeakPolarHBondContact O-CB 3.48Å; Q54-L58 VanDerWaalsContact O-CG 3.28Å; Q54-L58 WeakPolarHBondContact O-CG 3.38Å; Q54-L58 PolarHBondContact O-N 2.68Å |
| 55 | Q | 83.1 | Confident | 70 | Confident | 112 Ų | 112 | 114.6 Ų | 114.6 | 52% | 0.523 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.3 | -39.6 | 177.1 | -170.7 | 176.3 | 102.5 | 0 | 0 | 111.6 | E51 L52 Y53 L58 Q59 | E51-Q55 WeakPolarHBondContact O-CB 3.37Å; E51-Q55 PolarHBondContact O-N 2.98Å; L52-Q55 PolarHBondContact O-N 2.84Å; Y53-Q55 VanDerWaalsContact C-N 3.35Å; Y53-Q55 PolarHBondContact O-N 2.91Å; Q55-L58 PolarHBondContact O-N 3.39Å; Q55-Q59 WeakPolarHBondContact O-CB 3.23Å; Q55-Q59 WeakPolarHBondContact O-CG 3.43Å; Q55-Q59 PolarHBondContact O-N 2.71Å |
| 56 | M | 77.4 | Confident | 68.8 | Low | 109 Ų | 109 | 113 Ų | 113 | 54% | 0.537 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67 | -39.4 | 174.5 | -166.7 | -174.5 | 73.4 | 0 | 0 | 112.1 | L52 Y53 T60 | L52-M56 WeakPolarHBondContact O-CB 3.41Å; L52-M56 PolarHBondContact O-N 2.85Å; Y53-M56 HydrophobicContact CD2-CE 4.39Å; Y53-M56 PolarHBondContact O-N 3.42Å; M56-T60 WeakPolarHBondContact O-CB 3.37Å; M56-T60 PolarHBondContact O-N 3.23Å; M56-T60 PolarHBondContact O-OG1 2.82Å |
| 57 | L | 78.3 | Confident | 67.7 | Low | 70 Ų | 70 | 115.8 Ų | 115.8 | 37% | 0.366 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.7 | -48 | 171.3 | -77.8 | 173.7 | 0 | 0 | 0 | 111 | Y53 Q54 Q59 T60 M61 | Y53-L57 HydrophobicContact CD1-CD1 3.89Å; Y53-L57 HydrophobicContact CE1-CD1 3.48Å; Y53-L57 VanDerWaalsContact CE1-CD1 3.48Å; Y53-L57 HydrophobicContact CE1-CG 4.21Å; Y53-L57 WeakPolarHBondContact O-CB 3Å; Y53-L57 WeakPolarHBondContact O-CG 3.37Å; Y53-L57 PolarHBondContact O-N 3.35Å; Q54-L57 PolarHBondContact O-N 2.84Å; L57-Q59 PolarHBondContact O-N 2.83Å; L57-T60 CarbonylContact O-C 3.53Å; L57-T60 WeakPolarHBondContact O-CB 3.44Å; L57-T60 PolarHBondContact O-N 2.87Å; L57-T60 VanDerWaalsContact O-N 3.13Å; L57-M61 WeakPolarHBondContact O-CB 3.32Å; L57-M61 VanDerWaalsContact O-CG 3.32Å; L57-M61 WeakPolarHBondContact O-CG 3.47Å; L57-M61 PolarHBondContact O-N 2.85Å |
| 58 | L | 77.9 | Confident | 66.7 | Low | 117 Ų | 117 | 114.4 Ų | 114.4 | 61% | 0.613 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.3 | -42 | 178.5 | -75.1 | 165.1 | 0 | 0 | 0 | 112.3 | Q54 Q55 T60 M61 G62 | Q54-L58 WeakPolarHBondContact O-CB 3.48Å; Q54-L58 VanDerWaalsContact O-CG 3.28Å; Q54-L58 WeakPolarHBondContact O-CG 3.38Å; Q54-L58 PolarHBondContact O-N 2.68Å; Q55-L58 PolarHBondContact O-N 3.39Å; L58-T60 VanDerWaalsContact C-N 3.34Å; L58-M61 PolarHBondContact O-N 3.48Å; L58-G62 PolarHBondContact O-N 3.39Å |
| 59 | Q | 73.5 | Confident | 65.3 | Low | 109 Ų | 109 | 111.6 Ų | 111.6 | 51% | 0.509 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.6 | -36.9 | 172.7 | -73.2 | -176.2 | 21.6 | 0 | 0 | 112.3 | Q55 L57 K63 | Q55-Q59 WeakPolarHBondContact O-CB 3.23Å; Q55-Q59 WeakPolarHBondContact O-CG 3.43Å; Q55-Q59 PolarHBondContact O-N 2.71Å; L57-Q59 PolarHBondContact O-N 2.83Å; Q59-K63 WeakPolarHBondContact O-CG 3.43Å; Q59-K63 PolarHBondContact O-N 3.5Å |
| 60 | T | 66.1 | Low | 64.6 | Low | 66 Ų | 66 | 108.6 Ų | 108.6 | 41% | 0.405 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68 | -44.9 | 176.3 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | M56 L57 L58 K63 L64 | M56-T60 WeakPolarHBondContact O-CB 3.37Å; M56-T60 PolarHBondContact O-N 3.23Å; M56-T60 PolarHBondContact O-OG1 2.82Å; L57-T60 CarbonylContact O-C 3.53Å; L57-T60 WeakPolarHBondContact O-CB 3.44Å; L57-T60 PolarHBondContact O-N 2.87Å; L57-T60 VanDerWaalsContact O-N 3.13Å; L58-T60 VanDerWaalsContact C-N 3.34Å; T60-K63 PolarHBondContact O-N 2.84Å; T60-L64 HydrophobicContact CG2-CD1 4.12Å; T60-L64 WeakPolarHBondContact O-CB 3.27Å; T60-L64 VanDerWaalsContact O-CG 3.28Å; T60-L64 WeakPolarHBondContact O-CG 3.39Å; T60-L64 PolarHBondContact O-N 3.02Å |
| 61 | M | 60.8 | Low | 63.9 | Low | 107 Ų | 107 | 105.4 Ų | 105.4 | 53% | 0.527 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 174.6 | -69.3 | 176.1 | 73.3 | 0 | 0 | 111.8 | L57 L58 L64 Q65 | L57-M61 WeakPolarHBondContact O-CB 3.32Å; L57-M61 VanDerWaalsContact O-CG 3.32Å; L57-M61 WeakPolarHBondContact O-CG 3.47Å; L57-M61 PolarHBondContact O-N 2.85Å; L58-M61 PolarHBondContact O-N 3.48Å; M61-L64 PolarHBondContact O-N 2.74Å; M61-Q65 WeakPolarHBondContact O-CG 3.45Å; M61-Q65 PolarHBondContact O-N 3.17Å |
| 62 | G | 57.2 | Low | 63.3 | Low | 36 Ų | 36 | 101.4 Ų | 101.4 | 37% | 0.371 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L58 Q65 S66 | L58-G62 PolarHBondContact O-N 3.39Å; G62-Q65 PolarHBondContact O-N 3.14Å; G62-S66 PolarHBondContact O-N 2.65Å |
| 63 | K | 53 | Low | 63 | Low | 148 Ų | 148 | 100.5 Ų | 100.5 | 64% | 0.643 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65 | -41.7 | 173.7 | -76.6 | 176.3 | 177.6 | 176.1 | 0 | 112.4 | Q59 T60 Q65 S66 E67 | Q59-K63 WeakPolarHBondContact O-CG 3.43Å; Q59-K63 PolarHBondContact O-N 3.5Å; T60-K63 PolarHBondContact O-N 2.84Å; K63-Q65 PolarHBondContact O-N 2.82Å; K63-S66 WeakPolarHBondContact CA-OG 3.34Å; K63-S66 PolarHBondContact O-N 2.94Å; K63-S66 PolarHBondContact O-OG 2.85Å; K63-E67 PolarHBondContact O-N 2.84Å |
| 64 | L | 50.6 | Low | 63.3 | Low | 128 Ų | 128 | 94.3 Ų | 94.3 | 67% | 0.67 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.3 | -24.7 | 174.1 | -73.1 | 167.7 | 0 | 0 | 0 | 113.2 | T60 M61 | T60-L64 HydrophobicContact CG2-CD1 4.12Å; T60-L64 WeakPolarHBondContact O-CB 3.27Å; T60-L64 VanDerWaalsContact O-CG 3.28Å; T60-L64 WeakPolarHBondContact O-CG 3.39Å; T60-L64 PolarHBondContact O-N 3.02Å; M61-L64 PolarHBondContact O-N 2.74Å |
| 65 | Q | 45.5 | Very low | 63.6 | Low | 159 Ų | 159 | 96.8 Ų | 96.8 | 74% | 0.743 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -81.4 | -20.5 | 172.2 | -73.8 | 174.2 | -1.1 | 0 | 0 | 113.4 | M61 G62 K63 | M61-Q65 WeakPolarHBondContact O-CG 3.45Å; M61-Q65 PolarHBondContact O-N 3.17Å; G62-Q65 PolarHBondContact O-N 3.14Å; K63-Q65 PolarHBondContact O-N 2.82Å |
| 66 | S | 42.2 | Very low | 63.9 | Low | 91 Ų | 91 | 91.7 Ų | 91.7 | 64% | 0.636 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -87.7 | -14.1 | 178.3 | 58.7 | 0 | 0 | 0 | 0 | 115.3 | G62 K63 | G62-S66 PolarHBondContact O-N 2.65Å; K63-S66 WeakPolarHBondContact CA-OG 3.34Å; K63-S66 PolarHBondContact O-N 2.94Å; K63-S66 PolarHBondContact O-OG 2.85Å |
| 67 | E | 44 | Very low | 64.7 | Low | 163 Ų | 163 | 91.2 Ų | 91.2 | 76% | 0.762 | 48% | 0.482 | S | S | * | . | trans | -117.8 | 73 | 176.5 | -69.1 | -164.9 | 160.6 | 0 | 0 | 112.2 | K63 P69 | K63-E67 PolarHBondContact O-N 2.84Å; E67-P69 VanDerWaalsContact O-CD 3.28Å; E67-P69 WeakPolarHBondContact O-CD 3.4Å | ||
| 68 | S | 47.9 | Very low | 65.5 | Low | 88 Ų | 88 | 90.4 Ų | 90.4 | 62% | 0.615 | 48% | 0.48 | S | S | * | . | trans | -76.5 | 111.5 | 162.1 | 55.7 | 0 | 0 | 0 | 0 | 109.8 | D70 | S68-D70 PolarHBondContact O-N 2.91Å; S68-D70 VanDerWaalsContact O-N 3.12Å | ||
| 69 | P | 50 | Low | 66.3 | Low | 56 Ų | 56 | 85 Ų | 85 | 36% | 0.364 | 45% | 0.453 | S | S | . | . | trans | -84.2 | 96.7 | -168.4 | 32.3 | -34 | 0 | 0 | 0 | 111.9 | E67 S71 R209 | E67-P69 VanDerWaalsContact O-CD 3.28Å; E67-P69 WeakPolarHBondContact O-CD 3.4Å; P69-S71 PolarHBondContact O-N 3.32Å; P69-R209 VanDerWaalsContact CG-NH1 3.35Å | ||
| 70 | D | 54.9 | Low | 67.4 | Low | 73 Ų | 73 | 80.1 Ų | 80.1 | 39% | 0.39 | 43% | 0.43 | S | S | . | . | trans | 45.2 | 52.3 | 173.5 | -57.7 | -41.9 | 0 | 0 | 0 | 114.2 | S68 T72 M210 K211 | S68-D70 PolarHBondContact O-N 2.91Å; S68-D70 VanDerWaalsContact O-N 3.12Å; D70-T72 PolarHBondContact O-N 3.44Å; D70-M210 HydrophobicContact CB-CB 4.15Å; D70-M210 PolarHBondContact O-N 2.64Å; D70-K211 VanDerWaalsContact OD2-CD 3.3Å; D70-K211 WeakPolarHBondContact OD2-CD 3.45Å; D70-K211 WeakPolarHBondContact OD2-CE 3.33Å; D70-K211 IonicContact OD2-NZ 3.15Å; D70-K211 PolarHBondContact OD2-NZ 2.93Å | ||
| 71 | S | 58.1 | Low | 68.9 | Low | 62 Ų | 62 | 77 Ų | 77 | 43% | 0.434 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 104.8 | 166.5 | 55.4 | 0 | 0 | 0 | 0 | 109.4 | P69 I208 | P69-S71 PolarHBondContact O-N 3.32Å; S71-I208 CarbonylContact C-O 3.53Å; S71-I208 WeakPolarHBondContact CA-O 3.4Å |
| 72 | T | 68.4 | Low | 70.6 | Confident | 54 Ų | 54 | 71.9 Ų | 71.9 | 33% | 0.331 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 127.3 | 179.5 | -68.4 | 0 | 0 | 0 | 0 | 110.3 | D70 I74 I208 M210 | D70-T72 PolarHBondContact O-N 3.44Å; T72-I74 HydrophobicContact CG2-CG2 4.04Å; T72-I74 PolarHBondContact O-N 2.85Å; T72-I208 PolarHBondContact N-O 2.63Å; T72-I208 WeakPolarHBondContact O-CG1 3.46Å; T72-I208 PolarHBondContact O-N 2.99Å; T72-M210 HydrophobicContact CG2-SD 4.47Å; T72-M210 PolarHBondContact OG1-SD 2.83Å |
| 73 | L | 77.9 | Confident | 72.5 | Confident | 98 Ų | 98 | 72.8 Ų | 72.8 | 51% | 0.513 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 117.4 | 169.4 | -169.3 | 81.6 | 0 | 0 | 0 | 109 | E205 | L73-E205 HydrophobicContact CD1-CB 3.89Å; L73-E205 HydrophobicContact CD2-CB 4.31Å; L73-E205 HydrophobicContact CG-CB 3.99Å |
| 74 | I | 82.6 | Confident | 74.6 | Confident | 14 Ų | 14 | 65.7 Ų | 65.7 | 7% | 0.072 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 150 | 175.1 | 65 | 159.2 | 0 | 0 | 0 | 111.2 | T72 P76 S100 V152 E205 Q206 I208 | T72-I74 HydrophobicContact CG2-CG2 4.04Å; T72-I74 PolarHBondContact O-N 2.85Å; I74-P76 HydrophobicContact CD1-CB 4.47Å; I74-S100 WeakPolarHBondContact CD1-OG 3.41Å; I74-V152 HydrophobicContact CD1-CG1 4.11Å; I74-E205 CarbonylContact O-C 3.55Å; I74-E205 WeakPolarHBondContact O-CA 3.48Å; I74-Q206 HydrophobicContact CG1-CB 4.48Å; I74-Q206 WeakPolarHBondContact CG1-O 3.41Å; I74-Q206 PolarHBondContact N-O 2.91Å; I74-Q206 PolarHBondContact O-N 2.92Å; I74-I208 HydrophobicContact CD1-CD1 3.69Å; I74-I208 HydrophobicContact CD1-CG1 4.12Å; I74-I208 HydrophobicContact CD1-CG2 4.06Å; I74-I208 HydrophobicContact CG1-CD1 4.11Å; I74-I208 HydrophobicContact CG1-CG1 4.01Å; I74-I208 HydrophobicContact CG1-CG2 4.07Å; I74-I208 HydrophobicContact CG2-CD1 4.02Å; I74-I208 HydrophobicContact CG2-CG1 4.01Å |
| 75 | R | 86.1 | Confident | 76.7 | Confident | 173 Ų | 173 | 63.2 Ų | 63.2 | 65% | 0.653 | 33% | 0.333 | S | S | * | . | trans | -105.2 | 102.5 | 163.9 | -161.5 | 172.6 | -171.5 | -159.4 | 2.4 | 108.9 | V203 E205 | R75-V203 HydrophobicContact CG-CG1 4.11Å; R75-V203 PolarHBondContact NE-O 3.1Å; R75-V203 PolarHBondContact NH2-O 2.66Å; R75-E205 HydrophobicContact CB-CG 4.22Å; R75-E205 HydrophobicContact CG-CG 4.24Å | ||
| 76 | P | 89.6 | Confident | 79 | Confident | 5 Ų | 5 | 56.7 Ų | 56.7 | 3% | 0.032 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 152.7 | -173.9 | 32.6 | -37.1 | 0 | 0 | 0 | 111.3 | I74 C98 V152 V203 | I74-P76 HydrophobicContact CD1-CB 4.47Å; P76-C98 HydrophobicContact CB-CB 3.9Å; P76-C98 HydrophobicContact CG-CB 4.39Å; P76-V152 HydrophobicContact CB-CB 4.28Å; P76-V152 HydrophobicContact CB-CG1 3.67Å; P76-V152 HydrophobicContact CB-CG2 3.55Å; P76-V152 HydrophobicContact CG-CG2 3.75Å; P76-V203 HydrophobicContact CG-CG1 4.36Å; P76-V203 WeakPolarHBondContact O-CG1 3.42Å |
| 77 | Q | 93.6 | Very high | 81.3 | Confident | 99 Ų | 99 | 54.9 Ų | 54.9 | 46% | 0.463 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 129.3 | 179.5 | -58.1 | 175.2 | 14.8 | 0 | 0 | 110.9 | G79 C98 Q99 | Q77-G79 PolarHBondContact O-N 2.79Å; Q77-C98 CarbonylContact O-C 3.6Å; Q77-C98 VanDerWaalsContact O-CA 3.27Å; Q77-C98 WeakPolarHBondContact O-CA 3.17Å; Q77-C98 VanDerWaalsContact O-CB 3.3Å; Q77-C98 WeakPolarHBondContact O-CB 3.19Å; Q77-Q99 HydrophobicContact CB-CG 3.74Å; Q77-Q99 PolarHBondContact N-O 3.43Å; Q77-Q99 PolarHBondContact O-N 3.47Å |
| 78 | P | 95.9 | Very high | 83.1 | Confident | 52 Ų | 52 | 52.2 Ų | 52.2 | 34% | 0.338 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.3 | 118.4 | 174.1 | -34.9 | 40.8 | 0 | 0 | 0 | 115.2 | K198 F199 V203 | P78-K198 HydrophobicContact CB-CB 4.21Å; P78-F199 HydrophobicContact CB-CB 4.06Å; P78-F199 HydrophobicContact CB-CD2 4.47Å; P78-F199 HydrophobicContact CG-CB 4.15Å; P78-F199 HydrophobicContact CG-CD2 4.18Å; P78-F199 HydrophobicContact CG-CG 4.36Å; P78-V203 HydrophobicContact CG-CG2 3.56Å |
| 79 | G | 94.9 | Very high | 84.6 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -76.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q77 I97 F158 K198 | Q77-G79 PolarHBondContact O-N 2.79Å; G79-I97 CarbonylContact C-O 3.57Å; G79-I97 WeakPolarHBondContact CA-O 3.48Å; G79-I97 PolarHBondContact N-O 2.61Å; G79-I97 VanDerWaalsContact N-O 3.14Å; G79-F158 VanDerWaalsContact C-CZ 3.45Å; G79-K198 WeakPolarHBondContact O-CD 3.39Å; G79-K198 WeakPolarHBondContact O-CG 3.42Å |
| 80 | L | 96.2 | Very high | 86.5 | Confident | 7 Ų | 7 | 54.6 Ų | 54.6 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 154 | 178.4 | 65.3 | 84.8 | 0 | 0 | 0 | 111 | V82 I97 F158 Q168 I172 V193 K198 | L80-V82 HydrophobicContact CD1-CG2 3.47Å; L80-V82 VanDerWaalsContact CD1-CG2 3.47Å; L80-I97 HydrophobicContact CD1-CB 4.07Å; L80-I97 HydrophobicContact CD1-CD1 4.07Å; L80-I97 HydrophobicContact CD1-CG1 4.15Å; L80-I97 HydrophobicContact CG-CB 4.18Å; L80-I97 PolarHBondContact N-O 2.78Å; L80-I97 PolarHBondContact O-N 2.85Å; L80-F158 HydrophobicContact CB-CZ 4.44Å; L80-F158 HydrophobicContact CD2-CE2 3.96Å; L80-F158 HydrophobicContact CD2-CZ 4.08Å; L80-F158 HydrophobicContact CG-CE2 4.06Å; L80-F158 HydrophobicContact CG-CZ 4.2Å; L80-Q168 HydrophobicContact CD2-CG 4.19Å; L80-I172 HydrophobicContact CD1-CG1 4.5Å; L80-V193 HydrophobicContact CB-CG1 4.38Å; L80-V193 HydrophobicContact CD1-CG1 4.32Å; L80-K198 CarbonylContact C-O 3.55Å |
| 81 | C | 97 | Very high | 88.2 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 123.2 | 175.5 | -173.3 | 0 | 0 | 0 | 0 | 109.5 | I95 N96 L194 R197 K198 | C81-I95 WeakPolarHBondContact CA-O 3.49Å; C81-N96 PolarHBondContact SG-OD1 3.46Å; C81-L194 HydrophobicContact CB-CB 4.4Å; C81-L194 HydrophobicContact CB-CD1 4.06Å; C81-L194 HydrophobicContact CB-CG 4.39Å; C81-L194 PolarHBondContact O-N 2.88Å; C81-R197 WeakPolarHBondContact CB-O 3.35Å; C81-K198 PolarHBondContact N-O 2.91Å |
| 82 | V | 97.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 133.4 | 174.7 | -171.2 | 0 | 0 | 0 | 0 | 108.4 | L80 F94 I95 I97 I172 W191 | L80-V82 HydrophobicContact CD1-CG2 3.47Å; L80-V82 VanDerWaalsContact CD1-CG2 3.47Å; V82-F94 CarbonylContact O-C 3.56Å; V82-F94 VanDerWaalsContact O-CA 3.27Å; V82-F94 WeakPolarHBondContact O-CA 3.35Å; V82-I95 HydrophobicContact CB-CB 4.24Å; V82-I95 PolarHBondContact N-O 2.74Å; V82-I95 PolarHBondContact O-N 2.94Å; V82-I97 HydrophobicContact CG2-CD1 4.2Å; V82-I97 HydrophobicContact CG2-CG1 4.49Å; V82-I172 HydrophobicContact CG1-CG2 4.07Å; V82-I172 HydrophobicContact CG2-CD1 4.08Å; V82-I172 HydrophobicContact CG2-CG1 3.89Å; V82-I172 HydrophobicContact CG2-CG2 4.01Å; V82-W191 HydrophobicContact CG1-CB 3.62Å; V82-W191 HydrophobicContact CG1-CG 3.93Å |
| 83 | K | 96.6 | Very high | 91.3 | Very high | 55 Ų | 55 | 53.3 Ų | 53.3 | 24% | 0.239 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 128.5 | 167.2 | -179.3 | 178.4 | 178.3 | 174.1 | 0 | 109.8 | F94 W191 K192 L194 | K83-F94 HydrophobicContact CB-CD1 3.89Å; K83-F94 HydrophobicContact CB-CE1 3.71Å; K83-F94 HydrophobicContact CD-CE1 3.75Å; K83-F94 HydrophobicContact CD-CZ 3.85Å; K83-F94 HydrophobicContact CG-CD1 4.12Å; K83-F94 HydrophobicContact CG-CE1 3.65Å; K83-F94 HydrophobicContact CG-CZ 3.97Å; K83-W191 CarbonylContact O-C 3.55Å; K83-W191 WeakPolarHBondContact O-CA 3.4Å; K83-K192 PolarHBondContact N-O 2.83Å; K83-K192 PolarHBondContact O-N 3.47Å; K83-L194 HydrophobicContact CB-CD2 4.1Å |
| 84 | T | 96.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | -166.3 | 168.3 | -166 | 0 | 0 | 0 | 0 | 110.5 | V93 I95 L187 N188 | T84-V93 CarbonylContact C-O 3.55Å; T84-V93 HydrophobicContact CG2-CB 4.12Å; T84-V93 HydrophobicContact CG2-CG1 4.36Å; T84-V93 PolarHBondContact N-O 2.96Å; T84-V93 PolarHBondContact O-N 3.45Å; T84-I95 HydrophobicContact CG2-CD1 4.46Å; T84-L187 HydrophobicContact CG2-CB 4.49Å; T84-L187 HydrophobicContact CG2-CD2 4.41Å; T84-N188 PolarHBondContact OG1-O 3.14Å |
| 85 | F | 95.3 | Very high | 92.9 | Very high | 76 Ų | 76 | 48.4 Ų | 48.4 | 33% | 0.333 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 149.1 | 175.2 | -58.7 | -92.8 | 0 | 0 | 0 | 109.9 | Q91 K92 N188 | F85-Q91 CarbonylContact C-O 3.6Å; F85-Q91 WeakPolarHBondContact CA-O 3.48Å; F85-K92 HydrophobicContact CD1-CG 4.22Å; F85-K92 HydrophobicContact CE1-CG 3.83Å; F85-N188 HydrophobicContact CB-CB 4.46Å; F85-N188 WeakPolarHBondContact O-CB 3.45Å; F85-N188 PolarHBondContact O-N 3.24Å |
| 86 | S | 93.2 | Very high | 93.4 | Very high | 22 Ų | 22 | 40.2 Ų | 40.2 | 15% | 0.154 | 21% | 0.214 | C | C | . | . | B | Isolated β-bridge | trans | -78.4 | 146.5 | 165.4 | 57.1 | 0 | 0 | 0 | 0 | 110.7 | K90 Q91 E186 | S86-K90 WeakPolarHBondContact O-CA 3.47Å; S86-K90 PolarHBondContact O-N 3.4Å; S86-Q91 PolarHBondContact N-O 2.87Å; S86-Q91 PolarHBondContact OG-N 3.18Å; S86-E186 WeakPolarHBondContact CA-O 3.34Å |
| 87 | E | 90.6 | Very high | 93.8 | Very high | 52 Ų | 52 | 40 Ų | 40 | 24% | 0.243 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 155 | 167.7 | -63.7 | -63.4 | 167.6 | 0 | 0 | 109.7 | K90 E186 N188 | E87-K90 WeakPolarHBondContact OE2-CE 3.34Å; E87-K90 WeakPolarHBondContact OE2-CG 3.4Å; E87-E186 PolarHBondContact N-O 3.01Å; E87-N188 HydrophobicContact CG-CB 4.26Å; E87-N188 PolarHBondContact OE1-ND2 3.3Å |
| 88 | P | 81.8 | Confident | 93.9 | Very high | 108 Ų | 108 | 35.2 Ų | 35.2 | 70% | 0.701 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -75.7 | -0.8 | -13.6 | 34.6 | -36.7 | 0 | 0 | 0 | 113.2 | K90 | P88-K90 VanDerWaalsContact C-N 3.32Å; P88-K90 PolarHBondContact O-N 2.99Å |
| 89 | G | 80.3 | Confident | 93.9 | Very high | 49 Ų | 49 | 33.6 Ų | 33.6 | 51% | 0.505 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -14.2 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q91 | G89-Q91 PolarHBondContact O-N 3.33Š|
| 90 | K | 88.6 | Confident | 93.8 | Very high | 144 Ų | 144 | 34 Ų | 34 | 63% | 0.626 | 18% | 0.181 | S | C | * | . | trans | 51 | 29 | -179.5 | -61.3 | -172.6 | 178 | -176.7 | 0 | 114.6 | S86 E87 P88 | S86-K90 WeakPolarHBondContact O-CA 3.47Å; S86-K90 PolarHBondContact O-N 3.4Å; E87-K90 WeakPolarHBondContact OE2-CE 3.34Å; E87-K90 WeakPolarHBondContact OE2-CG 3.4Å; P88-K90 VanDerWaalsContact C-N 3.32Å; P88-K90 PolarHBondContact O-N 2.99Å | ||
| 91 | Q | 91.3 | Very high | 93.6 | Very high | 123 Ų | 123 | 38.2 Ų | 38.2 | 58% | 0.575 | 21% | 0.207 | S | C | * | . | trans | -77.1 | 144.3 | 175 | -56.5 | -177.4 | -0.2 | 0 | 0 | 109.2 | F85 S86 G89 V93 | F85-Q91 CarbonylContact C-O 3.6Å; F85-Q91 WeakPolarHBondContact CA-O 3.48Å; S86-Q91 PolarHBondContact N-O 2.87Å; S86-Q91 PolarHBondContact OG-N 3.18Å; G89-Q91 PolarHBondContact O-N 3.33Å; Q91-V93 PolarHBondContact O-N 2.94Å | ||
| 92 | K | 94.9 | Very high | 93.2 | Very high | 34 Ų | 34 | 39.9 Ų | 39.9 | 15% | 0.148 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 124.9 | 180 | -65.5 | 166.7 | -170 | 169.4 | 0 | 109.4 | F85 F94 D140 C146 T147 | F85-K92 HydrophobicContact CD1-CG 4.22Å; F85-K92 HydrophobicContact CE1-CG 3.83Å; K92-F94 HydrophobicContact CB-CE2 4.15Å; K92-D140 WeakPolarHBondContact CD-OD2 3.32Å; K92-D140 WeakPolarHBondContact CE-OD2 3.46Å; K92-D140 IonicContact NZ-OD1 3.75Å; K92-D140 IonicContact NZ-OD2 2.68Å; K92-D140 PolarHBondContact NZ-OD2 2.96Å; K92-C146 HydrophobicContact CB-CB 3.75Å; K92-C146 WeakPolarHBondContact O-CB 3.5Å; K92-T147 PolarHBondContact O-N 2.79Å; K92-T147 VanDerWaalsContact O-N 3.16Å |
| 93 | V | 96.3 | Very high | 92.8 | Very high | 6 Ų | 6 | 40.2 Ų | 40.2 | 4% | 0.036 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 136.6 | 174.7 | 178.1 | 0 | 0 | 0 | 0 | 109 | T84 Q91 I95 T147 Y149 L187 | T84-V93 CarbonylContact C-O 3.55Å; T84-V93 HydrophobicContact CG2-CB 4.12Å; T84-V93 HydrophobicContact CG2-CG1 4.36Å; T84-V93 PolarHBondContact N-O 2.96Å; T84-V93 PolarHBondContact O-N 3.45Å; Q91-V93 PolarHBondContact O-N 2.94Å; V93-I95 HydrophobicContact CG1-CG1 4.41Å; V93-T147 CarbonylContact C-O 3.56Å; V93-T147 WeakPolarHBondContact CA-O 3.42Å; V93-Y149 HydrophobicContact CG1-CD2 3.79Å; V93-Y149 HydrophobicContact CG1-CE2 3.79Å; V93-L187 HydrophobicContact CB-CD2 4.25Å; V93-L187 HydrophobicContact CG1-CD2 4.09Å; V93-L187 HydrophobicContact CG2-CD2 4.01Å |
| 94 | F | 97.2 | Very high | 92.4 | Very high | 8 Ų | 8 | 40.2 Ų | 40.2 | 4% | 0.035 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 139.2 | 173.2 | -65.9 | -94.6 | 0 | 0 | 0 | 109.9 | V82 K83 K92 D140 C146 T147 A148 Y149 L194 L200 | V82-F94 CarbonylContact O-C 3.56Å; V82-F94 VanDerWaalsContact O-CA 3.27Å; V82-F94 WeakPolarHBondContact O-CA 3.35Å; K83-F94 HydrophobicContact CB-CD1 3.89Å; K83-F94 HydrophobicContact CB-CE1 3.71Å; K83-F94 HydrophobicContact CD-CE1 3.75Å; K83-F94 HydrophobicContact CD-CZ 3.85Å; K83-F94 HydrophobicContact CG-CD1 4.12Å; K83-F94 HydrophobicContact CG-CE1 3.65Å; K83-F94 HydrophobicContact CG-CZ 3.97Å; K92-F94 HydrophobicContact CB-CE2 4.15Å; F94-D140 HydrophobicContact CZ-CB 4.45Å; F94-C146 HydrophobicContact CD2-CB 4.02Å; F94-C146 HydrophobicContact CE2-CB 3.81Å; F94-C146 VanDerWaalsContact CE2-SG 3.52Å; F94-T147 PolarHBondContact N-O 3.22Å; F94-A148 HydrophobicContact CB-CB 4.4Å; F94-A148 CarbonylContact O-C 3.55Å; F94-A148 VanDerWaalsContact O-CA 3.32Å; F94-A148 WeakPolarHBondContact O-CA 3.5Å; F94-Y149 PolarHBondContact O-N 3.2Å; F94-L194 HydrophobicContact CD1-CD1 4.19Å; F94-L194 HydrophobicContact CE1-CD1 4.02Å; F94-L200 HydrophobicContact CB-CB 4.39Å; F94-L200 HydrophobicContact CB-CD2 3.81Å; F94-L200 HydrophobicContact CD1-CD2 3.99Å; F94-L200 HydrophobicContact CD2-CD2 3.33Å; F94-L200 HydrophobicContact CE1-CD2 4.37Å; F94-L200 HydrophobicContact CE2-CD2 3.77Å; F94-L200 HydrophobicContact CG-CD2 3.44Å; F94-L200 VanDerWaalsContact CG-CD2 3.44Å; F94-L200 HydrophobicContact CZ-CD2 4.26Å |
| 95 | I | 97.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 110.9 | 178.1 | -53.5 | 169.3 | 0 | 0 | 0 | 107.2 | C81 V82 T84 V93 I97 Y149 V151 V176 L179 L187 | C81-I95 WeakPolarHBondContact CA-O 3.49Å; V82-I95 HydrophobicContact CB-CB 4.24Å; V82-I95 PolarHBondContact N-O 2.74Å; V82-I95 PolarHBondContact O-N 2.94Å; T84-I95 HydrophobicContact CG2-CD1 4.46Å; V93-I95 HydrophobicContact CG1-CG1 4.41Å; I95-I97 HydrophobicContact CG2-CG1 4.08Å; I95-I97 PolarHBondContact O-N 3.38Å; I95-Y149 WeakPolarHBondContact CA-O 3.2Å; I95-V151 HydrophobicContact CG2-CB 4.47Å; I95-V151 HydrophobicContact CG2-CG2 3.76Å; I95-V176 HydrophobicContact CD1-CG2 3.64Å; I95-L179 HydrophobicContact CB-CD1 4.47Å; I95-L179 HydrophobicContact CD1-CD1 3.91Å; I95-L179 HydrophobicContact CG1-CD1 3.82Å; I95-L179 HydrophobicContact CG2-CD1 3.87Å; I95-L187 HydrophobicContact CD1-CD1 4.31Å |
| 96 | N | 97.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 99.6 | 176.1 | -64 | -36.8 | 0 | 0 | 0 | 108.3 | C81 C98 Y149 D150 V151 F199 L200 | C81-N96 PolarHBondContact SG-OD1 3.46Å; N96-C98 PolarHBondContact O-N 3.44Å; N96-Y149 PolarHBondContact N-O 3.41Å; N96-D150 WeakPolarHBondContact CB-OD1 3.44Å; N96-D150 PolarHBondContact ND2-OD1 2.91Å; N96-V151 PolarHBondContact O-N 2.81Å; N96-F199 HydrophobicContact CB-CD2 3.58Å; N96-F199 HydrophobicContact CB-CE2 3.62Å; N96-F199 HydrophobicContact CB-CG 4.33Å; N96-F199 HydrophobicContact CB-CZ 4.38Å; N96-F199 WeakPolarHBondContact ND2-CZ 3.07Å; N96-F199 WeakPolarHBondContact OD1-CA 3.3Å; N96-L200 PolarHBondContact ND2-O 3.3Å; N96-L200 PolarHBondContact OD1-N 2.96Å |
| 97 | I | 97.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 112.5 | 174.2 | -54 | -174.5 | 0 | 0 | 0 | 108 | G79 L80 V82 I95 V151 I153 F158 V171 I172 | G79-I97 CarbonylContact C-O 3.57Å; G79-I97 WeakPolarHBondContact CA-O 3.48Å; G79-I97 PolarHBondContact N-O 2.61Å; G79-I97 VanDerWaalsContact N-O 3.14Å; L80-I97 HydrophobicContact CD1-CB 4.07Å; L80-I97 HydrophobicContact CD1-CD1 4.07Å; L80-I97 HydrophobicContact CD1-CG1 4.15Å; L80-I97 HydrophobicContact CG-CB 4.18Å; L80-I97 PolarHBondContact N-O 2.78Å; L80-I97 PolarHBondContact O-N 2.85Å; V82-I97 HydrophobicContact CG2-CD1 4.2Å; V82-I97 HydrophobicContact CG2-CG1 4.49Å; I95-I97 HydrophobicContact CG2-CG1 4.08Å; I95-I97 PolarHBondContact O-N 3.38Å; I97-V151 WeakPolarHBondContact CA-O 3.27Å; I97-I153 HydrophobicContact CG2-CD1 4.1Å; I97-I153 HydrophobicContact CG2-CG1 4.48Å; I97-F158 HydrophobicContact CB-CE2 4.49Å; I97-F158 HydrophobicContact CG2-CD2 4.02Å; I97-F158 HydrophobicContact CG2-CE2 3.93Å; I97-V171 HydrophobicContact CD1-CG1 4.13Å; I97-V171 HydrophobicContact CG2-CG1 4.11Å; I97-I172 HydrophobicContact CD1-CB 4.45Å; I97-I172 HydrophobicContact CD1-CG1 3.89Å |
| 98 | C | 95.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 163.7 | -175.6 | -58.9 | 0 | 0 | 0 | 0 | 110.8 | P76 Q77 N96 V151 V152 I153 | P76-C98 HydrophobicContact CB-CB 3.9Å; P76-C98 HydrophobicContact CG-CB 4.39Å; Q77-C98 CarbonylContact O-C 3.6Å; Q77-C98 VanDerWaalsContact O-CA 3.27Å; Q77-C98 WeakPolarHBondContact O-CA 3.17Å; Q77-C98 VanDerWaalsContact O-CB 3.3Å; Q77-C98 WeakPolarHBondContact O-CB 3.19Å; N96-C98 PolarHBondContact O-N 3.44Å; C98-V151 PolarHBondContact N-O 2.92Å; C98-V152 HydrophobicContact CB-CG2 4.38Å; C98-V152 WeakPolarHBondContact O-CA 3.49Å; C98-I153 PolarHBondContact O-N 2.86Å |
| 99 | Q | 95.4 | Very high | 91.8 | Very high | 17 Ų | 17 | 44.3 Ų | 44.3 | 8% | 0.079 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 146.8 | -176.8 | 65.9 | 178 | 15.7 | 0 | 0 | 112.6 | Q77 I153 Q155 F158 | Q77-Q99 HydrophobicContact CB-CG 3.74Å; Q77-Q99 PolarHBondContact N-O 3.43Å; Q77-Q99 PolarHBondContact O-N 3.47Å; Q99-I153 WeakPolarHBondContact CA-O 3.39Å; Q99-Q155 HydrophobicContact CB-CB 4.39Å; Q99-Q155 HydrophobicContact CB-CG 4.42Å; Q99-Q155 HydrophobicContact CG-CG 4.34Å; Q99-F158 HydrophobicContact CB-CB 4.06Å; Q99-F158 HydrophobicContact CB-CD1 4.33Å; Q99-F158 HydrophobicContact CB-CG 4.17Å |
| 100 | S | 93.6 | Very high | 92.3 | Very high | 11 Ų | 11 | 44 Ų | 44 | 8% | 0.077 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 147.7 | 169.2 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | I74 S102 I153 N154 Q155 | I74-S100 WeakPolarHBondContact CD1-OG 3.41Å; S100-S102 VanDerWaalsContact C-N 3.28Å; S100-S102 PolarHBondContact OG-N 3.39Å; S100-S102 VanDerWaalsContact OG-N 3.14Å; S100-I153 PolarHBondContact N-O 3.13Å; S100-N154 CarbonylContact O-C 3.54Å; S100-N154 WeakPolarHBondContact O-CA 3.4Å; S100-Q155 PolarHBondContact O-N 3.22Å |
| 101 | T | 91.8 | Very high | 92.3 | Very high | 97 Ų | 97 | 43.1 Ų | 43.1 | 60% | 0.595 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -17.3 | 170 | 50.5 | 0 | 0 | 0 | 0 | 112.7 | V103 Q155 | T101-V103 VanDerWaalsContact C-N 3.33Å; T101-Q155 HydrophobicContact CG2-CB 4.11Å |
| 102 | S | 88.1 | Confident | 92.2 | Very high | 34 Ų | 34 | 43.1 Ų | 43.1 | 24% | 0.238 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -9.2 | -179.8 | -49.3 | 0 | 0 | 0 | 0 | 113.9 | S100 | S100-S102 VanDerWaalsContact C-N 3.28Å; S100-S102 PolarHBondContact OG-N 3.39Å; S100-S102 VanDerWaalsContact OG-N 3.14Å |
| 103 | V | 89.1 | Confident | 91.9 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -90.6 | 125.9 | 168.3 | 178.3 | 0 | 0 | 0 | 0 | 107.5 | T101 P129 V152 N154 I208 | T101-V103 VanDerWaalsContact C-N 3.33Å; V103-P129 HydrophobicContact CG1-CB 4.26Å; V103-P129 WeakPolarHBondContact CG1-O 3.48Å; V103-V152 HydrophobicContact CG2-CG1 4.07Å; V103-N154 WeakPolarHBondContact O-CB 3.44Å; V103-N154 PolarHBondContact O-ND2 2.94Å; V103-I208 HydrophobicContact CG2-CD1 4.03Å |
| 104 | P | 88.8 | Confident | 91.5 | Very high | 55 Ų | 55 | 45.6 Ų | 45.6 | 36% | 0.357 | 25% | 0.25 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 144.2 | -178.3 | 26 | -33.8 | 0 | 0 | 0 | 111.2 | P129 | P104-P129 HydrophobicContact CG-CB 3.94Å; P104-P129 HydrophobicContact CG-CG 4.27Å |
| 105 | P | 91 | Very high | 91 | Very high | 85 Ų | 85 | 47.8 Ų | 47.8 | 55% | 0.552 | 26% | 0.264 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 148.9 | 174.7 | 28.6 | -34.3 | 0 | 0 | 0 | 110.9 | N154 | P105-N154 HydrophobicContact CB-CB 4.36Š|
| 106 | P | 90.5 | Very high | 90.5 | Very high | 15 Ų | 15 | 54 Ų | 54 | 10% | 0.097 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 169.2 | 163.7 | 33.4 | -35.3 | 0 | 0 | 0 | 110.6 | Y126 F157 | P106-Y126 HydrophobicContact CB-CE1 4.27Å; P106-Y126 WeakPolarHBondContact CB-OH 3.3Å; P106-F157 HydrophobicContact CG-CB 4.23Å; P106-F157 HydrophobicContact CG-CD1 4.04Å; P106-F157 HydrophobicContact CG-CD2 3.5Å; P106-F157 VanDerWaalsContact CG-CD2 3.5Å; P106-F157 HydrophobicContact CG-CE1 4.27Å; P106-F157 HydrophobicContact CG-CE2 3.76Å; P106-F157 HydrophobicContact CG-CG 3.66Å; P106-F157 HydrophobicContact CG-CZ 4.14Å |
| 107 | P | 88.7 | Confident | 89.9 | Confident | 84 Ų | 84 | 55.3 Ų | 55.3 | 55% | 0.545 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 149.5 | 168.7 | -21.5 | 33.1 | 0 | 0 | 0 | 111.3 | L109 Y126 | P107-L109 PolarHBondContact O-N 2.93Å; P107-Y126 HydrophobicContact CB-CE2 4.08Å; P107-Y126 HydrophobicContact CG-CE2 4.37Å; P107-Y126 WeakPolarHBondContact O-CE2 3.47Å; P107-Y126 PolarHBondContact O-OH 3.41Å |
| 108 | D | 87.5 | Confident | 89.1 | Confident | 146 Ų | 146 | 59 Ų | 59 | 78% | 0.781 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 139.8 | 173.8 | -109 | -49.5 | 0 | 0 | 0 | 110.8 | K160 | D108-K160 IonicContact OD1-NZ 3.42Å; D108-K160 PolarHBondContact OD1-NZ 2.99Å |
| 109 | L | 87.3 | Confident | 88.4 | Confident | 15 Ų | 15 | 66.2 Ų | 66.2 | 8% | 0.079 | 35% | 0.353 | C | S | . | . | trans | -135.5 | 127.6 | -177.4 | -169.8 | 71 | 0 | 0 | 0 | 107.5 | P107 E113 L114 L117 Y126 K160 F167 F170 | P107-L109 PolarHBondContact O-N 2.93Å; L109-E113 HydrophobicContact CD1-CB 3.56Å; L109-E113 HydrophobicContact CG-CB 4.26Å; L109-L114 HydrophobicContact CD2-CB 3.87Å; L109-L114 HydrophobicContact CD2-CD1 3.96Å; L109-L114 HydrophobicContact CD2-CG 4.44Å; L109-L114 HydrophobicContact CG-CB 4.29Å; L109-L117 HydrophobicContact CD2-CD1 4.3Å; L109-Y126 HydrophobicContact CB-CE2 3.86Å; L109-Y126 HydrophobicContact CD1-CD2 4.11Å; L109-Y126 HydrophobicContact CD1-CE2 4.07Å; L109-Y126 HydrophobicContact CD2-CD1 4.46Å; L109-Y126 HydrophobicContact CD2-CD2 4.49Å; L109-Y126 HydrophobicContact CD2-CE1 4.13Å; L109-Y126 HydrophobicContact CD2-CE2 4.19Å; L109-Y126 HydrophobicContact CG-CE2 4.27Å; L109-K160 WeakPolarHBondContact O-CE 3.3Å; L109-K160 PolarHBondContact O-NZ 2.9Å; L109-F167 HydrophobicContact CB-CE1 4.47Å; L109-F167 HydrophobicContact CD2-CE1 4.4Å; L109-F167 WeakPolarHBondContact O-CZ 3.43Å; L109-F170 HydrophobicContact CD2-CE1 4.39Å | ||
| 110 | S | 90.3 | Very high | 87.5 | Confident | 41 Ų | 41 | 67.8 Ų | 67.8 | 29% | 0.287 | 37% | 0.366 | S | S | . | . | trans | -74.2 | 174.5 | 171.4 | 66.4 | 0 | 0 | 0 | 0 | 111.5 | E112 E113 L114 F167 | S110-E112 VanDerWaalsContact C-N 3.31Å; S110-E113 WeakPolarHBondContact CB-OE2 3.24Å; S110-E113 PolarHBondContact N-OE2 2.69Å; S110-E113 WeakPolarHBondContact OG-CB 3.4Å; S110-E113 VanDerWaalsContact OG-CD 3.22Å; S110-E113 VanDerWaalsContact OG-CG 3.23Å; S110-E113 WeakPolarHBondContact OG-CG 3.49Å; S110-E113 PolarHBondContact OG-N 2.91Å; S110-E113 PolarHBondContact OG-OE2 2.83Å; S110-L114 WeakPolarHBondContact O-CB 3.28Å; S110-L114 PolarHBondContact O-N 3.26Å; S110-F167 WeakPolarHBondContact O-CZ 3.34Å | ||
| 111 | R | 88.3 | Confident | 86 | Confident | 127 Ų | 127 | 73.7 Ų | 73.7 | 48% | 0.479 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -73.4 | -32.1 | 175 | -179.8 | 179.7 | 170.8 | 119.5 | -2.6 | 110.7 | L114 V115 D164 L166 F167 | R111-L114 PolarHBondContact O-N 2.92Å; R111-V115 WeakPolarHBondContact O-CG2 3.44Å; R111-V115 PolarHBondContact O-N 3.19Å; R111-D164 IonicContact CZ-OD2 2.73Å; R111-D164 IonicContact NE-OD2 2.7Å; R111-D164 IonicContact NH1-OD1 3.34Å; R111-D164 PolarHBondContact NH1-OD1 2.9Å; R111-D164 IonicContact NH1-OD2 3.63Å; R111-D164 PolarHBondContact NH1-OD2 3.28Å; R111-L166 HydrophobicContact CG-CD2 4.16Å; R111-F167 HydrophobicContact CB-CE2 4.38Å |
| 112 | E | 89.4 | Confident | 84.8 | Confident | 123 Ų | 123 | 72 Ų | 72 | 58% | 0.575 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -71.6 | -47.1 | -177.5 | -64.9 | 60.9 | -138.4 | 0 | 0 | 110.4 | S110 L114 V115 Q116 | S110-E112 VanDerWaalsContact C-N 3.31Å; E112-L114 VanDerWaalsContact C-N 3.33Å; E112-L114 PolarHBondContact O-N 3.12Å; E112-V115 PolarHBondContact O-N 3.23Å; E112-Q116 WeakPolarHBondContact O-CG 3.49Å; E112-Q116 PolarHBondContact O-N 2.67Å |
| 113 | E | 88 | Confident | 83.9 | Confident | 92 Ų | 92 | 73.1 Ų | 73.1 | 43% | 0.43 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.2 | -36.1 | 171.9 | -67.1 | 158.2 | 135.8 | 0 | 0 | 111.6 | L109 S110 Q116 L117 | L109-E113 HydrophobicContact CD1-CB 3.56Å; L109-E113 HydrophobicContact CG-CB 4.26Å; S110-E113 WeakPolarHBondContact CB-OE2 3.24Å; S110-E113 PolarHBondContact N-OE2 2.69Å; S110-E113 WeakPolarHBondContact OG-CB 3.4Å; S110-E113 VanDerWaalsContact OG-CD 3.22Å; S110-E113 VanDerWaalsContact OG-CG 3.23Å; S110-E113 WeakPolarHBondContact OG-CG 3.49Å; S110-E113 PolarHBondContact OG-N 2.91Å; S110-E113 PolarHBondContact OG-OE2 2.83Å; E113-Q116 PolarHBondContact O-N 2.96Å; E113-L117 WeakPolarHBondContact O-CB 3.26Å; E113-L117 PolarHBondContact O-N 3Å |
| 114 | L | 88.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.9 | -37.4 | 174 | 177.7 | 59.2 | 0 | 0 | 0 | 112.3 | L109 S110 R111 E112 L118 L166 F167 F170 | L109-L114 HydrophobicContact CD2-CB 3.87Å; L109-L114 HydrophobicContact CD2-CD1 3.96Å; L109-L114 HydrophobicContact CD2-CG 4.44Å; L109-L114 HydrophobicContact CG-CB 4.29Å; S110-L114 WeakPolarHBondContact O-CB 3.28Å; S110-L114 PolarHBondContact O-N 3.26Å; R111-L114 PolarHBondContact O-N 2.92Å; E112-L114 VanDerWaalsContact C-N 3.33Å; E112-L114 PolarHBondContact O-N 3.12Å; L114-L118 HydrophobicContact CD1-CD1 3.96Å; L114-L118 HydrophobicContact CD1-CG 4.04Å; L114-L118 HydrophobicContact CG-CD1 3.99Å; L114-L118 HydrophobicContact CG-CG 4.49Å; L114-L118 WeakPolarHBondContact O-CB 3.48Å; L114-L118 VanDerWaalsContact O-CG 3.25Å; L114-L118 WeakPolarHBondContact O-CG 3.46Å; L114-L118 PolarHBondContact O-N 3.14Å; L114-L166 HydrophobicContact CD2-CD2 4.03Å; L114-L166 HydrophobicContact CD2-CG 3.88Å; L114-L166 HydrophobicContact CG-CD2 4.2Å; L114-L166 HydrophobicContact CG-CG 4.34Å; L114-F167 HydrophobicContact CB-CE2 4.5Å; L114-F167 HydrophobicContact CB-CZ 4.21Å; L114-F167 HydrophobicContact CD2-CB 4.47Å; L114-F167 HydrophobicContact CD2-CD1 3.82Å; L114-F167 HydrophobicContact CD2-CD2 3.65Å; L114-F167 HydrophobicContact CD2-CE1 3.84Å; L114-F167 HydrophobicContact CD2-CE2 3.67Å; L114-F167 HydrophobicContact CD2-CG 3.72Å; L114-F167 HydrophobicContact CD2-CZ 3.76Å; L114-F170 HydrophobicContact CD1-CB 3.93Å; L114-F170 HydrophobicContact CD1-CD1 3.78Å; L114-F170 HydrophobicContact CD1-CD2 3.61Å; L114-F170 HydrophobicContact CD1-CE1 4.14Å; L114-F170 HydrophobicContact CD1-CE2 3.98Å; L114-F170 HydrophobicContact CD1-CG 3.49Å; L114-F170 VanDerWaalsContact CD1-CG 3.49Å; L114-F170 HydrophobicContact CD1-CZ 4.23Å; L114-F170 HydrophobicContact CD2-CB 4.16Å; L114-F170 HydrophobicContact CD2-CD1 4.47Å; L114-F170 HydrophobicContact CD2-CG 4.4Å |
| 115 | V | 87.6 | Confident | 82.3 | Confident | 53 Ų | 53 | 75.2 Ų | 75.2 | 32% | 0.321 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.2 | -42 | 173.3 | 170 | 0 | 0 | 0 | 0 | 110.8 | R111 E112 L118 Q119 L166 | R111-V115 WeakPolarHBondContact O-CG2 3.44Å; R111-V115 PolarHBondContact O-N 3.19Å; E112-V115 PolarHBondContact O-N 3.23Å; V115-L118 PolarHBondContact O-N 2.93Å; V115-Q119 WeakPolarHBondContact O-CB 3.34Å; V115-Q119 VanDerWaalsContact O-CG 3.28Å; V115-Q119 WeakPolarHBondContact O-CG 3.5Å; V115-Q119 PolarHBondContact O-N 3.14Å; V115-L166 HydrophobicContact CG2-CD2 3.71Å |
| 116 | Q | 86.6 | Confident | 81.9 | Confident | 132 Ų | 132 | 72.6 Ų | 72.6 | 62% | 0.617 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.4 | -44.2 | 176.3 | -69.9 | 173.4 | -5.6 | 0 | 0 | 112 | E112 E113 Q119 S120 | E112-Q116 WeakPolarHBondContact O-CG 3.49Å; E112-Q116 PolarHBondContact O-N 2.67Å; E113-Q116 PolarHBondContact O-N 2.96Å; Q116-Q119 CarbonylContact O-C 3.43Å; Q116-Q119 PolarHBondContact O-N 3.36Å; Q116-S120 PolarHBondContact O-N 3.35Å |
| 117 | L | 84.5 | Confident | 81.6 | Confident | 28 Ų | 28 | 79.7 Ų | 79.7 | 15% | 0.147 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 175.6 | -176 | 167.7 | 0 | 0 | 0 | 112 | L109 E113 Q119 S120 P123 Y126 F170 | L109-L117 HydrophobicContact CD2-CD1 4.3Å; E113-L117 WeakPolarHBondContact O-CB 3.26Å; E113-L117 PolarHBondContact O-N 3Å; L117-Q119 PolarHBondContact O-N 3.06Å; L117-S120 PolarHBondContact O-N 2.89Å; L117-S120 PolarHBondContact O-OG 3.39Å; L117-P123 HydrophobicContact CD2-CB 4Å; L117-P123 HydrophobicContact CG-CB 4.4Å; L117-Y126 HydrophobicContact CD1-CD1 4.27Å; L117-Y126 HydrophobicContact CD1-CG 4.05Å; L117-F170 HydrophobicContact CD1-CE2 4.42Å; L117-F170 HydrophobicContact CD1-CZ 4.37Å; L117-F170 HydrophobicContact CD2-CE2 3.9Å |
| 118 | L | 81.7 | Confident | 81.7 | Confident | 76 Ų | 76 | 76.7 Ų | 76.7 | 40% | 0.398 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -4.6 | 175.9 | -69.5 | 170.7 | 0 | 0 | 0 | 113.5 | L114 V115 L166 F170 L173 | L114-L118 HydrophobicContact CD1-CD1 3.96Å; L114-L118 HydrophobicContact CD1-CG 4.04Å; L114-L118 HydrophobicContact CG-CD1 3.99Å; L114-L118 HydrophobicContact CG-CG 4.49Å; L114-L118 WeakPolarHBondContact O-CB 3.48Å; L114-L118 VanDerWaalsContact O-CG 3.25Å; L114-L118 WeakPolarHBondContact O-CG 3.46Å; L114-L118 PolarHBondContact O-N 3.14Å; V115-L118 PolarHBondContact O-N 2.93Å; L118-L166 HydrophobicContact CD1-CD1 3.77Å; L118-L166 HydrophobicContact CD1-CG 4.22Å; L118-F170 HydrophobicContact CD2-CD2 4.31Å; L118-L173 HydrophobicContact CD2-CD2 4.27Å |
| 119 | Q | 80.7 | Confident | 81.8 | Confident | 153 Ų | 153 | 71.9 Ų | 71.9 | 72% | 0.715 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.9 | -3.4 | 178.3 | -71.2 | 179.5 | -20.5 | 0 | 0 | 113.3 | V115 Q116 L117 | V115-Q119 WeakPolarHBondContact O-CB 3.34Å; V115-Q119 VanDerWaalsContact O-CG 3.28Å; V115-Q119 WeakPolarHBondContact O-CG 3.5Å; V115-Q119 PolarHBondContact O-N 3.14Å; Q116-Q119 CarbonylContact O-C 3.43Å; Q116-Q119 PolarHBondContact O-N 3.36Å; L117-Q119 PolarHBondContact O-N 3.06Å |
| 120 | S | 77.1 | Confident | 82.1 | Confident | 50 Ų | 50 | 73.5 Ų | 73.5 | 35% | 0.35 | 38% | 0.384 | S | S | . | . | trans | -85.3 | 144.5 | -176.8 | 62.6 | 0 | 0 | 0 | 0 | 112.6 | Q116 L117 D122 | Q116-S120 PolarHBondContact O-N 3.35Å; L117-S120 PolarHBondContact O-N 2.89Å; L117-S120 PolarHBondContact O-OG 3.39Å; S120-D122 VanDerWaalsContact C-N 3.25Å; S120-D122 WeakPolarHBondContact CB-O 3.33Å; S120-D122 PolarHBondContact O-N 2.96Å; S120-D122 PolarHBondContact OG-O 3.35Å | ||
| 121 | E | 61.6 | Low | 82.2 | Confident | 135 Ų | 135 | 72.7 Ų | 72.7 | 63% | 0.631 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -60.2 | -38.3 | 170.1 | -73.8 | -62.2 | 139.7 | 0 | 0 | 111.6 | P123 R287 | E121-P123 WeakPolarHBondContact O-CD 3.42Å; E121-R287 IonicContact OE1-NH2 2.78Å; E121-R287 PolarHBondContact OE1-NH2 3.4Å; E121-R287 IonicContact OE2-CZ 3.56Å; E121-R287 IonicContact OE2-NH2 2.61Å; E121-R287 PolarHBondContact OE2-NH2 3.34Å |
| 122 | D | 66.3 | Low | 82.4 | Confident | 61 Ų | 61 | 68 Ų | 68 | 33% | 0.326 | 36% | 0.362 | S | S | . | . | trans | -109.3 | 104.1 | 168.9 | -179.5 | 23.1 | 0 | 0 | 0 | 111.5 | S120 S124 S289 | S120-D122 VanDerWaalsContact C-N 3.25Å; S120-D122 WeakPolarHBondContact CB-O 3.33Å; S120-D122 PolarHBondContact O-N 2.96Å; S120-D122 PolarHBondContact OG-O 3.35Å; D122-S124 VanDerWaalsContact C-N 3.32Å; D122-S124 VanDerWaalsContact CG-OG 3.32Å; D122-S124 WeakPolarHBondContact OD1-CA 3.3Å; D122-S124 WeakPolarHBondContact OD1-CB 3.46Å; D122-S124 PolarHBondContact OD1-N 3.37Å; D122-S124 PolarHBondContact OD1-OG 3.05Å; D122-S124 PolarHBondContact OD2-OG 3.32Å; D122-S124 VanDerWaalsContact OD2-OG 3.09Å; D122-S289 VanDerWaalsContact CG-OG 3.23Å; D122-S289 VanDerWaalsContact OD1-CB 3.31Å; D122-S289 WeakPolarHBondContact OD1-CB 3.25Å; D122-S289 PolarHBondContact OD1-OG 2.81Å | ||
| 123 | P | 68.6 | Low | 82.4 | Confident | 57 Ų | 57 | 62.6 Ų | 62.6 | 37% | 0.37 | 34% | 0.339 | S | S | . | . | trans | -88.9 | 6.4 | 170.3 | 34.8 | -35.1 | 0 | 0 | 0 | 113 | L117 E121 G125 | L117-P123 HydrophobicContact CD2-CB 4Å; L117-P123 HydrophobicContact CG-CB 4.4Å; E121-P123 WeakPolarHBondContact O-CD 3.42Å; P123-G125 VanDerWaalsContact C-N 3.32Å; P123-G125 PolarHBondContact O-N 3.01Å | ||
| 124 | S | 72.1 | Confident | 82.5 | Confident | 26 Ų | 26 | 65.6 Ų | 65.6 | 18% | 0.182 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -17.5 | -167 | 83.5 | 0 | 0 | 0 | 0 | 115 | D122 Y126 R127 | D122-S124 VanDerWaalsContact C-N 3.32Å; D122-S124 VanDerWaalsContact CG-OG 3.32Å; D122-S124 WeakPolarHBondContact OD1-CA 3.3Å; D122-S124 WeakPolarHBondContact OD1-CB 3.46Å; D122-S124 PolarHBondContact OD1-N 3.37Å; D122-S124 PolarHBondContact OD1-OG 3.05Å; D122-S124 PolarHBondContact OD2-OG 3.32Å; D122-S124 VanDerWaalsContact OD2-OG 3.09Å; S124-Y126 PolarHBondContact O-N 3.35Å; S124-Y126 VanDerWaalsContact O-N 3.15Å; S124-R127 PolarHBondContact O-NE 3.27Å; S124-R127 PolarHBondContact O-NH1 3.33Å; S124-R127 VanDerWaalsContact O-NH1 3.08Å; S124-R127 PolarHBondContact O-NH2 2.97Å |
| 125 | G | 72.3 | Confident | 82.8 | Confident | 80 Ų | 80 | 68.7 Ų | 68.7 | 83% | 0.825 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -17.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | P123 | P123-G125 VanDerWaalsContact C-N 3.32Å; P123-G125 PolarHBondContact O-N 3.01Å |
| 126 | Y | 82.3 | Confident | 83 | Confident | 31 Ų | 31 | 68.3 Ų | 68.3 | 12% | 0.122 | 37% | 0.368 | C | S | . | . | trans | -111.3 | 141.7 | 176.9 | -168.2 | -98.1 | 0 | 0 | 0 | 111.7 | P106 P107 L109 L117 S124 V128 F170 | P106-Y126 HydrophobicContact CB-CE1 4.27Å; P106-Y126 WeakPolarHBondContact CB-OH 3.3Å; P107-Y126 HydrophobicContact CB-CE2 4.08Å; P107-Y126 HydrophobicContact CG-CE2 4.37Å; P107-Y126 WeakPolarHBondContact O-CE2 3.47Å; P107-Y126 PolarHBondContact O-OH 3.41Å; L109-Y126 HydrophobicContact CB-CE2 3.86Å; L109-Y126 HydrophobicContact CD1-CD2 4.11Å; L109-Y126 HydrophobicContact CD1-CE2 4.07Å; L109-Y126 HydrophobicContact CD2-CD1 4.46Å; L109-Y126 HydrophobicContact CD2-CD2 4.49Å; L109-Y126 HydrophobicContact CD2-CE1 4.13Å; L109-Y126 HydrophobicContact CD2-CE2 4.19Å; L109-Y126 HydrophobicContact CG-CE2 4.27Å; L117-Y126 HydrophobicContact CD1-CD1 4.27Å; L117-Y126 HydrophobicContact CD1-CG 4.05Å; S124-Y126 PolarHBondContact O-N 3.35Å; S124-Y126 VanDerWaalsContact O-N 3.15Å; Y126-V128 HydrophobicContact CD1-CG2 4.16Å; Y126-V128 HydrophobicContact CE1-CG2 3.68Å; Y126-F170 HydrophobicContact CD1-CE1 4.33Å; Y126-F170 AromaticContact CD1-CZ 3.84Å; Y126-F170 HydrophobicContact CD1-CZ 3.84Å; Y126-F170 AromaticContact CE1-CE1 3.94Å; Y126-F170 HydrophobicContact CE1-CE1 3.94Å; Y126-F170 AromaticContact CE1-CZ 3.94Å; Y126-F170 HydrophobicContact CE1-CZ 3.94Å | ||
| 127 | R | 84.2 | Confident | 83.3 | Confident | 163 Ų | 163 | 66.6 Ų | 66.6 | 62% | 0.615 | 38% | 0.377 | S | S | * | . | trans | -133.4 | 130.1 | -178 | -60 | -63.4 | -177.3 | -144.8 | 5.4 | 110.8 | S124 | S124-R127 PolarHBondContact O-NE 3.27Å; S124-R127 PolarHBondContact O-NH1 3.33Å; S124-R127 VanDerWaalsContact O-NH1 3.08Å; S124-R127 PolarHBondContact O-NH2 2.97Å | ||
| 128 | V | 90.8 | Very high | 83.7 | Confident | 22 Ų | 22 | 67.6 Ų | 67.6 | 13% | 0.133 | 38% | 0.38 | C | S | . | . | trans | -100.7 | 114.6 | 174.9 | 176.3 | 0 | 0 | 0 | 0 | 109.7 | Y126 M130 F157 F170 V174 | Y126-V128 HydrophobicContact CD1-CG2 4.16Å; Y126-V128 HydrophobicContact CE1-CG2 3.68Å; V128-M130 HydrophobicContact CB-CE 3.93Å; V128-M130 HydrophobicContact CG1-CE 3.82Å; V128-M130 PolarHBondContact O-N 3.32Å; V128-F157 HydrophobicContact CB-CE1 4.45Å; V128-F157 HydrophobicContact CG1-CD1 4.16Å; V128-F157 HydrophobicContact CG1-CE1 3.54Å; V128-F157 HydrophobicContact CG1-CZ 4.27Å; V128-F157 HydrophobicContact CG2-CE1 3.97Å; V128-F157 HydrophobicContact CG2-CZ 3.84Å; V128-F170 HydrophobicContact CG2-CE1 4.19Å; V128-F170 HydrophobicContact CG2-CZ 4.32Å; V128-V174 HydrophobicContact CB-CG2 4.33Å; V128-V174 HydrophobicContact CG1-CG2 4.49Å; V128-V174 HydrophobicContact CG2-CG2 4.23Å | ||
| 129 | P | 90.8 | Very high | 84.1 | Confident | 45 Ų | 45 | 68 Ų | 68 | 29% | 0.292 | 39% | 0.386 | S | S | . | . | trans | -65.1 | 126.3 | 170.8 | -19 | 32.3 | 0 | 0 | 0 | 110.7 | V103 P104 | V103-P129 HydrophobicContact CG1-CB 4.26Å; V103-P129 WeakPolarHBondContact CG1-O 3.48Å; P104-P129 HydrophobicContact CG-CB 3.94Å; P104-P129 HydrophobicContact CG-CG 4.27Å | ||
| 130 | M | 93.6 | Very high | 84.2 | Confident | 49 Ų | 49 | 61.4 Ų | 61.4 | 24% | 0.241 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 147.9 | 177.5 | 66.5 | -175.6 | 77.1 | 0 | 0 | 111.9 | V128 L132 V151 V152 I153 V174 | V128-M130 HydrophobicContact CB-CE 3.93Å; V128-M130 HydrophobicContact CG1-CE 3.82Å; V128-M130 PolarHBondContact O-N 3.32Å; M130-L132 HydrophobicContact CG-CD2 4.06Å; M130-L132 HydrophobicContact CG-CG 4.24Å; M130-L132 HydrophobicContact SD-CD2 3.73Å; M130-L132 HydrophobicContact SD-CG 4.44Å; M130-V151 HydrophobicContact CB-CG1 4.3Å; M130-V151 HydrophobicContact SD-CG1 4.01Å; M130-V152 CarbonylContact C-O 3.53Å; M130-V152 VanDerWaalsContact CA-O 3.28Å; M130-V152 WeakPolarHBondContact CA-O 3.41Å; M130-I153 HydrophobicContact CB-CG2 3.87Å; M130-V174 HydrophobicContact CE-CB 4.11Å; M130-V174 HydrophobicContact CE-CG2 3.8Å |
| 131 | S | 91.8 | Very high | 84.5 | Confident | 24 Ų | 24 | 65 Ų | 65 | 17% | 0.168 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 140.2 | 161.2 | -172.7 | 0 | 0 | 0 | 0 | 109.5 | V151 V152 Q206 | S131-V151 CarbonylContact O-C 3.58Å; S131-V151 WeakPolarHBondContact O-CA 3.38Å; S131-V152 PolarHBondContact N-O 3.32Å; S131-V152 PolarHBondContact O-N 2.98Å; S131-Q206 PolarHBondContact OG-OE1 2.95Å |
| 132 | L | 93.2 | Very high | 85.5 | Confident | 29 Ų | 29 | 64.1 Ų | 64.1 | 15% | 0.152 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 100.6 | 175.2 | -63 | 176.1 | 0 | 0 | 0 | 108 | M130 V151 G178 L179 K182 | M130-L132 HydrophobicContact CG-CD2 4.06Å; M130-L132 HydrophobicContact CG-CG 4.24Å; M130-L132 HydrophobicContact SD-CD2 3.73Å; M130-L132 HydrophobicContact SD-CG 4.44Å; L132-V151 HydrophobicContact CD2-CB 4.46Å; L132-V151 HydrophobicContact CD2-CG1 4.04Å; L132-V151 HydrophobicContact CD2-CG2 3.8Å; L132-G178 VanDerWaalsContact CD1-O 3.24Å; L132-G178 WeakPolarHBondContact CD1-O 3.48Å; L132-L179 HydrophobicContact CB-CD2 4.36Å; L132-L179 HydrophobicContact CD2-CD2 3.97Å; L132-L179 HydrophobicContact CD2-CG 4.16Å; L132-K182 HydrophobicContact CB-CD 3.63Å; L132-K182 HydrophobicContact CD1-CB 3.85Å; L132-K182 HydrophobicContact CD1-CD 3.89Å; L132-K182 HydrophobicContact CD1-CG 4.44Å; L132-K182 HydrophobicContact CG-CD 4.43Å; L132-K182 PolarHBondContact O-NZ 3.03Å |
| 133 | G | 89.4 | Confident | 86.4 | Confident | 9 Ų | 9 | 66.4 Ų | 66.4 | 9% | 0.093 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 162 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D150 Y183 | G133-D150 WeakPolarHBondContact CA-O 3.42Å; G133-D150 PolarHBondContact N-O 3.3Å; G133-Y183 VanDerWaalsContact C-OH 3.25Å; G133-Y183 WeakPolarHBondContact O-CE2 3.28Å; G133-Y183 PolarHBondContact O-OH 2.85Å |
| 134 | E | 89.6 | Confident | 87.2 | Confident | 155 Ų | 155 | 68.3 Ų | 68.3 | 72% | 0.724 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 150.5 | 176.3 | -66.4 | -173.2 | 164 | 0 | 0 | 111.8 | H136 Y183 | E134-H136 PolarHBondContact O-N 2.89Å; E134-Y183 WeakPolarHBondContact CA-OH 3.44Å; E134-Y183 PolarHBondContact N-OH 2.86Å |
| 135 | P | 93.7 | Very high | 88.1 | Confident | 65 Ų | 65 | 70.2 Ų | 70.2 | 42% | 0.422 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 127.3 | 174.1 | 22.8 | -31.8 | 0 | 0 | 0 | 111.1 | T147 A148 Y149 | P135-T147 HydrophobicContact CB-CG2 3.68Å; P135-A148 WeakPolarHBondContact CA-O 3.37Å; P135-Y149 HydrophobicContact CB-CD1 4.18Å; P135-Y149 HydrophobicContact CB-CE1 3.54Å; P135-Y149 HydrophobicContact CG-CE1 4.13Å |
| 136 | H | 92.3 | Very high | 89.2 | Confident | 45 Ų | 45 | 67 Ų | 67 | 21% | 0.208 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 150.1 | 169.4 | 54.4 | 100.2 | 0 | 0 | 0 | 111.9 | E134 T147 A148 D150 | E134-H136 PolarHBondContact O-N 2.89Å; H136-T147 WeakPolarHBondContact O-CA 3.36Å; H136-A148 VanDerWaalsContact CE1-CB 3.44Å; H136-A148 WeakPolarHBondContact CE1-CB 3.47Å; H136-A148 PolarHBondContact N-O 2.86Å; H136-A148 PolarHBondContact O-N 2.86Å; H136-D150 IonicContact CD2-OD2 2.82Å; H136-D150 IonicContact CE1-OD1 2.68Å; H136-D150 IonicContact NE2-OD1 3.64Å; H136-D150 PolarHBondContact NE2-OD1 3.49Å; H136-D150 IonicContact NE2-OD2 3.48Å; H136-D150 PolarHBondContact NE2-OD2 3.06Å |
| 137 | A | 93.3 | Very high | 89.8 | Confident | 96 Ų | 96 | 67.2 Ų | 67.2 | 79% | 0.793 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 117.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 138 | E | 93.3 | Very high | 90.4 | Very high | 48 Ų | 48 | 59.5 Ų | 59.5 | 22% | 0.224 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 165.5 | -171.5 | -86.1 | -63.8 | 159.1 | 0 | 0 | 112.1 | G145 C146 A148 L200 G201 | E138-G145 CarbonylContact O-C 3.58Å; E138-G145 WeakPolarHBondContact O-CA 3.45Å; E138-C146 VanDerWaalsContact C-SG 3.56Å; E138-C146 PolarHBondContact N-O 3.27Å; E138-C146 PolarHBondContact O-N 3.47Å; E138-C146 PolarHBondContact O-SG 3.43Å; E138-A148 HydrophobicContact CB-CB 4.33Å; E138-A148 HydrophobicContact CG-CB 4.09Å; E138-L200 HydrophobicContact CB-CD2 3.81Å; E138-L200 HydrophobicContact CB-CG 4Å; E138-L200 HydrophobicContact CG-CD2 4.46Å; E138-L200 HydrophobicContact CG-CG 4.19Å; E138-G201 WeakPolarHBondContact OE1-CA 3.38Å |
| 139 | T | 90.4 | Very high | 90.6 | Very high | 84 Ų | 84 | 59.2 Ų | 59.2 | 52% | 0.515 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 126.4 | -177.8 | -57.5 | 0 | 0 | 0 | 0 | 111.2 | ||
| 140 | D | 81.7 | Confident | 90.8 | Very high | 15 Ų | 15 | 57.2 Ų | 57.2 | 8% | 0.08 | 34% | 0.343 | C | S | . | . | trans | -79.8 | 170.9 | 176.7 | 97.7 | -20.5 | 0 | 0 | 0 | 112.8 | K92 F94 N142 S143 Q144 | K92-D140 WeakPolarHBondContact CD-OD2 3.32Å; K92-D140 WeakPolarHBondContact CE-OD2 3.46Å; K92-D140 IonicContact NZ-OD1 3.75Å; K92-D140 IonicContact NZ-OD2 2.68Å; K92-D140 PolarHBondContact NZ-OD2 2.96Å; F94-D140 HydrophobicContact CZ-CB 4.45Å; D140-N142 PolarHBondContact O-N 2.75Å; D140-N142 WeakPolarHBondContact OD1-CA 3.33Å; D140-N142 WeakPolarHBondContact OD1-CB 3.26Å; D140-N142 PolarHBondContact OD1-N 2.82Å; D140-S143 PolarHBondContact O-N 2.88Å; D140-Q144 PolarHBondContact N-O 2.91Å; D140-Q144 PolarHBondContact OD1-N 2.82Å | ||
| 141 | N | 83.1 | Confident | 91 | Very high | 125 Ų | 125 | 54.9 Ų | 54.9 | 67% | 0.668 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -10.2 | -176.3 | -67.3 | 3.9 | 0 | 0 | 0 | 114.4 | R197 | N141-R197 PolarHBondContact OD1-NH1 3.12Å; N141-R197 PolarHBondContact OD1-NH2 2.9Å |
| 142 | N | 83.9 | Confident | 91.2 | Very high | 118 Ų | 118 | 53.7 Ų | 53.7 | 63% | 0.631 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | 17.8 | 176.7 | -63.7 | 18.2 | 0 | 0 | 0 | 111.5 | D140 Q144 | D140-N142 PolarHBondContact O-N 2.75Å; D140-N142 WeakPolarHBondContact OD1-CA 3.33Å; D140-N142 WeakPolarHBondContact OD1-CB 3.26Å; D140-N142 PolarHBondContact OD1-N 2.82Å; N142-Q144 HydrophobicContact CB-CG 4.43Å; N142-Q144 PolarHBondContact O-N 3.48Å |
| 143 | S | 84 | Confident | 91.3 | Very high | 108 Ų | 108 | 52.4 Ų | 52.4 | 76% | 0.755 | 32% | 0.316 | S | S | * | . | S | Bend | trans | 59.7 | 27.7 | -176 | -55.3 | 0 | 0 | 0 | 0 | 114.3 | D140 | D140-S143 PolarHBondContact O-N 2.88Š|
| 144 | Q | 86.4 | Confident | 91.6 | Very high | 98 Ų | 98 | 52.2 Ų | 52.2 | 46% | 0.458 | 31% | 0.313 | S | S | . | . | trans | -100.7 | 134.8 | 177.6 | -61.4 | -179.8 | 9.3 | 0 | 0 | 110.7 | D140 N142 | D140-Q144 PolarHBondContact N-O 2.91Å; D140-Q144 PolarHBondContact OD1-N 2.82Å; N142-Q144 HydrophobicContact CB-CG 4.43Å; N142-Q144 PolarHBondContact O-N 3.48Å | ||
| 145 | G | 90.9 | Very high | 91.9 | Very high | 66 Ų | 66 | 47.1 Ų | 47.1 | 68% | 0.68 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 142.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E138 | E138-G145 CarbonylContact O-C 3.58Å; E138-G145 WeakPolarHBondContact O-CA 3.45Å |
| 146 | C | 94.6 | Very high | 91.9 | Very high | 11 Ų | 11 | 49 Ų | 49 | 7% | 0.074 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 163.7 | 179.4 | 59.6 | 0 | 0 | 0 | 0 | 110.1 | K92 F94 E138 | K92-C146 HydrophobicContact CB-CB 3.75Å; K92-C146 WeakPolarHBondContact O-CB 3.5Å; F94-C146 HydrophobicContact CD2-CB 4.02Å; F94-C146 HydrophobicContact CE2-CB 3.81Å; F94-C146 VanDerWaalsContact CE2-SG 3.52Å; E138-C146 VanDerWaalsContact C-SG 3.56Å; E138-C146 PolarHBondContact N-O 3.27Å; E138-C146 PolarHBondContact O-N 3.47Å; E138-C146 PolarHBondContact O-SG 3.43Å |
| 147 | T | 94.8 | Very high | 92 | Very high | 37 Ų | 37 | 47.3 Ų | 47.3 | 23% | 0.227 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 133.6 | 177 | -48.7 | 0 | 0 | 0 | 0 | 109.9 | K92 V93 F94 P135 H136 Y149 | K92-T147 PolarHBondContact O-N 2.79Å; K92-T147 VanDerWaalsContact O-N 3.16Å; V93-T147 CarbonylContact C-O 3.56Å; V93-T147 WeakPolarHBondContact CA-O 3.42Å; F94-T147 PolarHBondContact N-O 3.22Å; P135-T147 HydrophobicContact CB-CG2 3.68Å; H136-T147 WeakPolarHBondContact O-CA 3.36Å; T147-Y149 HydrophobicContact CG2-CD2 4.28Å; T147-Y149 HydrophobicContact CG2-CE2 3.6Å |
| 148 | A | 96.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 146.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | F94 P135 H136 E138 L200 | F94-A148 HydrophobicContact CB-CB 4.4Å; F94-A148 CarbonylContact O-C 3.55Å; F94-A148 VanDerWaalsContact O-CA 3.32Å; F94-A148 WeakPolarHBondContact O-CA 3.5Å; P135-A148 WeakPolarHBondContact CA-O 3.37Å; H136-A148 VanDerWaalsContact CE1-CB 3.44Å; H136-A148 WeakPolarHBondContact CE1-CB 3.47Å; H136-A148 PolarHBondContact N-O 2.86Å; H136-A148 PolarHBondContact O-N 2.86Å; E138-A148 HydrophobicContact CB-CB 4.33Å; E138-A148 HydrophobicContact CG-CB 4.09Å; A148-L200 HydrophobicContact CB-CD2 4.46Å |
| 149 | Y | 96.3 | Very high | 92.2 | Very high | 16 Ų | 16 | 44.3 Ų | 44.3 | 6% | 0.063 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 134.5 | 176.3 | -65.6 | -91.3 | 0 | 0 | 0 | 109.9 | V93 F94 I95 N96 P135 T147 L179 Y183 L185 | V93-Y149 HydrophobicContact CG1-CD2 3.79Å; V93-Y149 HydrophobicContact CG1-CE2 3.79Å; F94-Y149 PolarHBondContact O-N 3.2Å; I95-Y149 WeakPolarHBondContact CA-O 3.2Å; N96-Y149 PolarHBondContact N-O 3.41Å; P135-Y149 HydrophobicContact CB-CD1 4.18Å; P135-Y149 HydrophobicContact CB-CE1 3.54Å; P135-Y149 HydrophobicContact CG-CE1 4.13Å; T147-Y149 HydrophobicContact CG2-CD2 4.28Å; T147-Y149 HydrophobicContact CG2-CE2 3.6Å; Y149-L179 HydrophobicContact CD1-CD1 4.49Å; Y149-L179 HydrophobicContact CD1-CD2 3.73Å; Y149-L179 HydrophobicContact CD2-CD1 4.4Å; Y149-L179 HydrophobicContact CG-CD1 3.96Å; Y149-L179 HydrophobicContact CG-CD2 4Å; Y149-Y183 HydrophobicContact CD1-CD2 4.11Å; Y149-Y183 AromaticContact CD1-CE2 3.91Å; Y149-Y183 HydrophobicContact CD1-CE2 3.91Å; Y149-Y183 AromaticContact CE1-CD2 3.71Å; Y149-Y183 HydrophobicContact CE1-CD2 3.71Å; Y149-Y183 AromaticContact CE1-CE2 3.88Å; Y149-Y183 HydrophobicContact CE1-CE2 3.88Å; Y149-Y183 HydrophobicContact CE1-CG 4.33Å; Y149-L185 HydrophobicContact CE1-CD1 4.18Å; Y149-L185 HydrophobicContact CE2-CD1 4.21Å; Y149-L185 WeakPolarHBondContact OH-CD1 3.35Å |
| 150 | D | 95.6 | Very high | 92.2 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 102.8 | -177.2 | -65.1 | -16.4 | 0 | 0 | 0 | 111 | N96 G133 H136 F199 S204 Q206 | N96-D150 WeakPolarHBondContact CB-OD1 3.44Å; N96-D150 PolarHBondContact ND2-OD1 2.91Å; G133-D150 WeakPolarHBondContact CA-O 3.42Å; G133-D150 PolarHBondContact N-O 3.3Å; H136-D150 IonicContact CD2-OD2 2.82Å; H136-D150 IonicContact CE1-OD1 2.68Å; H136-D150 IonicContact NE2-OD1 3.64Å; H136-D150 PolarHBondContact NE2-OD1 3.49Å; H136-D150 IonicContact NE2-OD2 3.48Å; H136-D150 PolarHBondContact NE2-OD2 3.06Å; D150-F199 WeakPolarHBondContact OD1-CE2 3.04Å; D150-F199 VanDerWaalsContact OD1-CZ 3.23Å; D150-F199 WeakPolarHBondContact OD1-CZ 3.35Å; D150-F199 WeakPolarHBondContact OD2-CZ 3.43Å; D150-S204 PolarHBondContact OD2-OG 3.29Å; D150-Q206 PolarHBondContact O-NE2 2.8Å |
| 151 | V | 96.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 124.9 | 178.3 | 179.8 | 0 | 0 | 0 | 0 | 109 | I95 N96 I97 C98 M130 S131 L132 I153 L179 | I95-V151 HydrophobicContact CG2-CB 4.47Å; I95-V151 HydrophobicContact CG2-CG2 3.76Å; N96-V151 PolarHBondContact O-N 2.81Å; I97-V151 WeakPolarHBondContact CA-O 3.27Å; C98-V151 PolarHBondContact N-O 2.92Å; M130-V151 HydrophobicContact CB-CG1 4.3Å; M130-V151 HydrophobicContact SD-CG1 4.01Å; S131-V151 CarbonylContact O-C 3.58Å; S131-V151 WeakPolarHBondContact O-CA 3.38Å; L132-V151 HydrophobicContact CD2-CB 4.46Å; L132-V151 HydrophobicContact CD2-CG1 4.04Å; L132-V151 HydrophobicContact CD2-CG2 3.8Å; V151-I153 HydrophobicContact CG1-CG2 4.13Å; V151-L179 HydrophobicContact CG2-CD1 3.91Å; V151-L179 HydrophobicContact CG2-CD2 4.25Å; V151-L179 HydrophobicContact CG2-CG 4.1Å |
| 152 | V | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 119.5 | 179.2 | -167.8 | 0 | 0 | 0 | 0 | 110.1 | I74 P76 C98 V103 M130 S131 | I74-V152 HydrophobicContact CD1-CG1 4.11Å; P76-V152 HydrophobicContact CB-CB 4.28Å; P76-V152 HydrophobicContact CB-CG1 3.67Å; P76-V152 HydrophobicContact CB-CG2 3.55Å; P76-V152 HydrophobicContact CG-CG2 3.75Å; C98-V152 HydrophobicContact CB-CG2 4.38Å; C98-V152 WeakPolarHBondContact O-CA 3.49Å; V103-V152 HydrophobicContact CG2-CG1 4.07Å; M130-V152 CarbonylContact C-O 3.53Å; M130-V152 VanDerWaalsContact CA-O 3.28Å; M130-V152 WeakPolarHBondContact CA-O 3.41Å; S131-V152 PolarHBondContact N-O 3.32Å; S131-V152 PolarHBondContact O-N 2.98Å |
| 153 | I | 95.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 170.1 | 176.7 | 74.3 | -178 | 0 | 0 | 0 | 111.1 | I97 C98 Q99 S100 M130 V151 F157 F158 V171 | I97-I153 HydrophobicContact CG2-CD1 4.1Å; I97-I153 HydrophobicContact CG2-CG1 4.48Å; C98-I153 PolarHBondContact O-N 2.86Å; Q99-I153 WeakPolarHBondContact CA-O 3.39Å; S100-I153 PolarHBondContact N-O 3.13Å; M130-I153 HydrophobicContact CB-CG2 3.87Å; V151-I153 HydrophobicContact CG1-CG2 4.13Å; I153-F157 HydrophobicContact CD1-CD1 3.88Å; I153-F157 HydrophobicContact CD1-CE1 4.27Å; I153-F157 HydrophobicContact CG1-CD1 4.47Å; I153-F158 HydrophobicContact CD1-CB 3.98Å; I153-F158 HydrophobicContact CD1-CD2 3.88Å; I153-F158 HydrophobicContact CD1-CG 4.44Å; I153-F158 HydrophobicContact CG1-CB 4Å; I153-F158 HydrophobicContact CG1-CD2 4.26Å; I153-V171 HydrophobicContact CD1-CG1 3.59Å; I153-V171 HydrophobicContact CD1-CG2 4.29Å |
| 154 | N | 95.6 | Very high | 93.9 | Very high | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.027 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 140 | 173.7 | 173.1 | -93.6 | 0 | 0 | 0 | 112.3 | S100 V103 P105 D156 F157 F158 | S100-N154 CarbonylContact O-C 3.54Å; S100-N154 WeakPolarHBondContact O-CA 3.4Å; V103-N154 WeakPolarHBondContact O-CB 3.44Å; V103-N154 PolarHBondContact O-ND2 2.94Å; P105-N154 HydrophobicContact CB-CB 4.36Å; N154-D156 PolarHBondContact OD1-N 3.36Å; N154-F157 HydrophobicContact CB-CB 4.16Å; N154-F157 PolarHBondContact OD1-N 3.38Å; N154-F157 VanDerWaalsContact OD1-N 3.1Å; N154-F158 PolarHBondContact O-N 2.9Å |
| 155 | Q | 95.6 | Very high | 94.2 | Very high | 48 Ų | 48 | 39.2 Ų | 39.2 | 22% | 0.224 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.9 | -49.6 | -177.2 | -173.1 | 179.9 | -86.7 | 0 | 0 | 114.2 | Q99 S100 T101 F157 F158 Q159 | Q99-Q155 HydrophobicContact CB-CB 4.39Å; Q99-Q155 HydrophobicContact CB-CG 4.42Å; Q99-Q155 HydrophobicContact CG-CG 4.34Å; S100-Q155 PolarHBondContact O-N 3.22Å; T101-Q155 HydrophobicContact CG2-CB 4.11Å; Q155-F157 VanDerWaalsContact C-N 3.32Å; Q155-F157 PolarHBondContact O-N 3Å; Q155-F158 WeakPolarHBondContact O-CB 3.42Å; Q155-F158 PolarHBondContact O-N 2.97Å; Q155-F158 VanDerWaalsContact O-N 3.16Å; Q155-Q159 WeakPolarHBondContact O-CG 3.5Å; Q155-Q159 PolarHBondContact O-N 3.31Å |
| 156 | D | 94.6 | Very high | 94.1 | Very high | 104 Ų | 104 | 38.3 Ų | 38.3 | 56% | 0.556 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -72.3 | -32.9 | -172.9 | -54.3 | -56.4 | 0 | 0 | 0 | 111.1 | N154 Q159 K160 | N154-D156 PolarHBondContact OD1-N 3.36Å; D156-Q159 PolarHBondContact O-N 3.01Å; D156-K160 PolarHBondContact O-N 3.16Å |
| 157 | F | 94.6 | Very high | 94.1 | Very high | 10 Ų | 10 | 38.1 Ų | 38.1 | 4% | 0.044 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.7 | -41.6 | 168.6 | -175.5 | -118.3 | 0 | 0 | 0 | 112.7 | P106 V128 I153 N154 Q155 K160 S161 F170 V171 | P106-F157 HydrophobicContact CG-CB 4.23Å; P106-F157 HydrophobicContact CG-CD1 4.04Å; P106-F157 HydrophobicContact CG-CD2 3.5Å; P106-F157 VanDerWaalsContact CG-CD2 3.5Å; P106-F157 HydrophobicContact CG-CE1 4.27Å; P106-F157 HydrophobicContact CG-CE2 3.76Å; P106-F157 HydrophobicContact CG-CG 3.66Å; P106-F157 HydrophobicContact CG-CZ 4.14Å; V128-F157 HydrophobicContact CB-CE1 4.45Å; V128-F157 HydrophobicContact CG1-CD1 4.16Å; V128-F157 HydrophobicContact CG1-CE1 3.54Å; V128-F157 HydrophobicContact CG1-CZ 4.27Å; V128-F157 HydrophobicContact CG2-CE1 3.97Å; V128-F157 HydrophobicContact CG2-CZ 3.84Å; I153-F157 HydrophobicContact CD1-CD1 3.88Å; I153-F157 HydrophobicContact CD1-CE1 4.27Å; I153-F157 HydrophobicContact CG1-CD1 4.47Å; N154-F157 HydrophobicContact CB-CB 4.16Å; N154-F157 PolarHBondContact OD1-N 3.38Å; N154-F157 VanDerWaalsContact OD1-N 3.1Å; Q155-F157 VanDerWaalsContact C-N 3.32Å; Q155-F157 PolarHBondContact O-N 3Å; F157-K160 WeakPolarHBondContact O-CB 3.39Å; F157-K160 PolarHBondContact O-N 3.1Å; F157-S161 PolarHBondContact O-N 2.96Å; F157-F170 HydrophobicContact CZ-CD1 4.35Å; F157-F170 HydrophobicContact CZ-CE1 4.09Å; F157-V171 HydrophobicContact CD1-CG2 4.3Å; F157-V171 HydrophobicContact CE1-CG2 3.54Å; F157-V171 HydrophobicContact CZ-CG2 3.73Å |
| 158 | F | 95.8 | Very high | 94 | Very high | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.8 | -39.1 | 171.9 | -173.6 | -90.5 | 0 | 0 | 0 | 112.4 | G79 L80 I97 Q99 I153 N154 Q155 K160 S161 Q162 | G79-F158 VanDerWaalsContact C-CZ 3.45Å; L80-F158 HydrophobicContact CB-CZ 4.44Å; L80-F158 HydrophobicContact CD2-CE2 3.96Å; L80-F158 HydrophobicContact CD2-CZ 4.08Å; L80-F158 HydrophobicContact CG-CE2 4.06Å; L80-F158 HydrophobicContact CG-CZ 4.2Å; I97-F158 HydrophobicContact CB-CE2 4.49Å; I97-F158 HydrophobicContact CG2-CD2 4.02Å; I97-F158 HydrophobicContact CG2-CE2 3.93Å; Q99-F158 HydrophobicContact CB-CB 4.06Å; Q99-F158 HydrophobicContact CB-CD1 4.33Å; Q99-F158 HydrophobicContact CB-CG 4.17Å; I153-F158 HydrophobicContact CD1-CB 3.98Å; I153-F158 HydrophobicContact CD1-CD2 3.88Å; I153-F158 HydrophobicContact CD1-CG 4.44Å; I153-F158 HydrophobicContact CG1-CB 4Å; I153-F158 HydrophobicContact CG1-CD2 4.26Å; N154-F158 PolarHBondContact O-N 2.9Å; Q155-F158 WeakPolarHBondContact O-CB 3.42Å; Q155-F158 PolarHBondContact O-N 2.97Å; Q155-F158 VanDerWaalsContact O-N 3.16Å; F158-K160 VanDerWaalsContact C-N 3.27Å; F158-K160 PolarHBondContact O-N 2.91Å; F158-S161 PolarHBondContact O-N 2.95Å; F158-S161 PolarHBondContact O-OG 3.03Å; F158-Q162 HydrophobicContact CD1-CG 3.94Å; F158-Q162 HydrophobicContact CE1-CG 3.47Å; F158-Q162 VanDerWaalsContact CE1-CG 3.47Å; F158-Q162 VanDerWaalsContact CE1-NE2 3.35Å; F158-Q162 HydrophobicContact CZ-CG 3.87Å; F158-Q162 WeakPolarHBondContact O-CG 3.4Å; F158-Q162 PolarHBondContact O-N 3.07Å |
| 159 | Q | 94.5 | Very high | 93.9 | Very high | 77 Ų | 77 | 43.4 Ų | 43.4 | 36% | 0.36 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -70 | -22.4 | 175.8 | -64.9 | -58.7 | -43 | 0 | 0 | 113 | Q155 D156 K163 | Q155-Q159 WeakPolarHBondContact O-CG 3.5Å; Q155-Q159 PolarHBondContact O-N 3.31Å; D156-Q159 PolarHBondContact O-N 3.01Å; Q159-K163 WeakPolarHBondContact O-CD 3.37Å; Q159-K163 VanDerWaalsContact O-CE 3.3Å; Q159-K163 WeakPolarHBondContact O-CE 3.36Å; Q159-K163 WeakPolarHBondContact O-CG 3.31Å |
| 160 | K | 91.1 | Very high | 93.8 | Very high | 62 Ų | 62 | 43 Ų | 43 | 27% | 0.27 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -71.9 | -47.6 | 168.2 | -169.3 | 173.8 | -178.5 | 177.9 | 0 | 110.4 | D108 L109 D156 F157 F158 Q162 K163 F167 | D108-K160 IonicContact OD1-NZ 3.42Å; D108-K160 PolarHBondContact OD1-NZ 2.99Å; L109-K160 WeakPolarHBondContact O-CE 3.3Å; L109-K160 PolarHBondContact O-NZ 2.9Å; D156-K160 PolarHBondContact O-N 3.16Å; F157-K160 WeakPolarHBondContact O-CB 3.39Å; F157-K160 PolarHBondContact O-N 3.1Å; F158-K160 VanDerWaalsContact C-N 3.27Å; F158-K160 PolarHBondContact O-N 2.91Å; K160-Q162 VanDerWaalsContact C-N 3.3Å; K160-Q162 PolarHBondContact O-N 3.25Å; K160-K163 PolarHBondContact O-N 3.46Å; K160-K163 VanDerWaalsContact O-N 3.07Å; K160-F167 HydrophobicContact CD-CE1 4.42Å |
| 161 | S | 92.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.3 | -25.6 | -179.6 | 73.9 | 0 | 0 | 0 | 0 | 114.4 | F157 F158 K163 Q168 | F157-S161 PolarHBondContact O-N 2.96Å; F158-S161 PolarHBondContact O-N 2.95Å; F158-S161 PolarHBondContact O-OG 3.03Å; S161-K163 PolarHBondContact O-N 3.06Å; S161-Q168 WeakPolarHBondContact O-CB 3.43Å |
| 162 | Q | 91.3 | Very high | 93.7 | Very high | 78 Ų | 78 | 43 Ų | 43 | 36% | 0.364 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -8 | 172.9 | -67.7 | -73.8 | 39.2 | 0 | 0 | 114.5 | F158 K160 | F158-Q162 HydrophobicContact CD1-CG 3.94Å; F158-Q162 HydrophobicContact CE1-CG 3.47Å; F158-Q162 VanDerWaalsContact CE1-CG 3.47Å; F158-Q162 VanDerWaalsContact CE1-NE2 3.35Å; F158-Q162 HydrophobicContact CZ-CG 3.87Å; F158-Q162 WeakPolarHBondContact O-CG 3.4Å; F158-Q162 PolarHBondContact O-N 3.07Å; K160-Q162 VanDerWaalsContact C-N 3.3Å; K160-Q162 PolarHBondContact O-N 3.25Å |
| 163 | K | 91.6 | Very high | 93.6 | Very high | 171 Ų | 171 | 45 Ų | 45 | 74% | 0.743 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | -26.7 | 179.5 | -65.1 | 169 | -172.3 | 169.9 | 0 | 113.5 | Q159 K160 S161 | Q159-K163 WeakPolarHBondContact O-CD 3.37Å; Q159-K163 VanDerWaalsContact O-CE 3.3Å; Q159-K163 WeakPolarHBondContact O-CE 3.36Å; Q159-K163 WeakPolarHBondContact O-CG 3.31Å; K160-K163 PolarHBondContact O-N 3.46Å; K160-K163 VanDerWaalsContact O-N 3.07Å; S161-K163 PolarHBondContact O-N 3.06Å |
| 164 | D | 92.5 | Very high | 93.5 | Very high | 28 Ų | 28 | 46.1 Ų | 46.1 | 15% | 0.15 | 23% | 0.229 | C | C | . | . | trans | -125.4 | 117.1 | 179.6 | -168.6 | -26.4 | 0 | 0 | 0 | 110.5 | R111 L166 F167 Q168 | R111-D164 IonicContact CZ-OD2 2.73Å; R111-D164 IonicContact NE-OD2 2.7Å; R111-D164 IonicContact NH1-OD1 3.34Å; R111-D164 PolarHBondContact NH1-OD1 2.9Å; R111-D164 IonicContact NH1-OD2 3.63Å; R111-D164 PolarHBondContact NH1-OD2 3.28Å; D164-L166 PolarHBondContact O-N 3.12Å; D164-L166 VanDerWaalsContact O-N 3.12Å; D164-L166 WeakPolarHBondContact OD1-CB 3.44Å; D164-L166 PolarHBondContact OD1-N 3.04Å; D164-F167 HydrophobicContact CB-CB 4.34Å; D164-F167 HydrophobicContact CB-CD2 4.03Å; D164-F167 PolarHBondContact O-N 3.05Å; D164-Q168 PolarHBondContact O-N 3.39Å | ||
| 165 | P | 91.9 | Very high | 93.5 | Very high | 103 Ų | 103 | 45.9 Ų | 45.9 | 67% | 0.669 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -54.6 | -28.2 | 177 | -27.2 | 35.8 | 0 | 0 | 0 | 114.7 | Q168 Q169 | P165-Q168 PolarHBondContact O-N 2.95Å; P165-Q169 WeakPolarHBondContact O-CB 3.5Å; P165-Q169 PolarHBondContact O-N 2.91Å |
| 166 | L | 90.8 | Very high | 93.5 | Very high | 46 Ų | 46 | 43.7 Ų | 43.7 | 24% | 0.241 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.7 | -45.3 | 176.3 | -171.7 | 68.3 | 0 | 0 | 0 | 110.9 | R111 L114 V115 L118 D164 Q168 Q169 F170 | R111-L166 HydrophobicContact CG-CD2 4.16Å; L114-L166 HydrophobicContact CD2-CD2 4.03Å; L114-L166 HydrophobicContact CD2-CG 3.88Å; L114-L166 HydrophobicContact CG-CD2 4.2Å; L114-L166 HydrophobicContact CG-CG 4.34Å; V115-L166 HydrophobicContact CG2-CD2 3.71Å; L118-L166 HydrophobicContact CD1-CD1 3.77Å; L118-L166 HydrophobicContact CD1-CG 4.22Å; D164-L166 PolarHBondContact O-N 3.12Å; D164-L166 VanDerWaalsContact O-N 3.12Å; D164-L166 WeakPolarHBondContact OD1-CB 3.44Å; D164-L166 PolarHBondContact OD1-N 3.04Å; L166-Q168 VanDerWaalsContact C-N 3.33Å; L166-Q169 PolarHBondContact O-N 3.31Å; L166-F170 WeakPolarHBondContact O-CB 3.28Å; L166-F170 PolarHBondContact O-N 2.83Å |
| 167 | F | 92.7 | Very high | 93.4 | Very high | 7 Ų | 7 | 42.2 Ų | 42.2 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.8 | -33.3 | 173.1 | -82.9 | -91.3 | 0 | 0 | 0 | 111.9 | L109 S110 R111 L114 K160 D164 V171 | L109-F167 HydrophobicContact CB-CE1 4.47Å; L109-F167 HydrophobicContact CD2-CE1 4.4Å; L109-F167 WeakPolarHBondContact O-CZ 3.43Å; S110-F167 WeakPolarHBondContact O-CZ 3.34Å; R111-F167 HydrophobicContact CB-CE2 4.38Å; L114-F167 HydrophobicContact CB-CE2 4.5Å; L114-F167 HydrophobicContact CB-CZ 4.21Å; L114-F167 HydrophobicContact CD2-CB 4.47Å; L114-F167 HydrophobicContact CD2-CD1 3.82Å; L114-F167 HydrophobicContact CD2-CD2 3.65Å; L114-F167 HydrophobicContact CD2-CE1 3.84Å; L114-F167 HydrophobicContact CD2-CE2 3.67Å; L114-F167 HydrophobicContact CD2-CG 3.72Å; L114-F167 HydrophobicContact CD2-CZ 3.76Å; K160-F167 HydrophobicContact CD-CE1 4.42Å; D164-F167 HydrophobicContact CB-CB 4.34Å; D164-F167 HydrophobicContact CB-CD2 4.03Å; D164-F167 PolarHBondContact O-N 3.05Å; F167-V171 WeakPolarHBondContact O-CB 3.39Å; F167-V171 VanDerWaalsContact O-CG2 3.31Å; F167-V171 WeakPolarHBondContact O-CG2 3.46Å; F167-V171 PolarHBondContact O-N 2.83Å |
| 168 | Q | 94.1 | Very high | 93.3 | Very high | 52 Ų | 52 | 42.5 Ų | 42.5 | 24% | 0.243 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.3 | -47.9 | 172.6 | -166.8 | 175.7 | 89.8 | 0 | 0 | 111.4 | L80 S161 D164 P165 L166 V171 I172 | L80-Q168 HydrophobicContact CD2-CG 4.19Å; S161-Q168 WeakPolarHBondContact O-CB 3.43Å; D164-Q168 PolarHBondContact O-N 3.39Å; P165-Q168 PolarHBondContact O-N 2.95Å; L166-Q168 VanDerWaalsContact C-N 3.33Å; Q168-V171 PolarHBondContact O-N 3.26Å; Q168-I172 HydrophobicContact CG-CD1 4.21Å; Q168-I172 VanDerWaalsContact O-CG1 3.3Å; Q168-I172 WeakPolarHBondContact O-CG1 3.48Å; Q168-I172 PolarHBondContact O-N 3.4Å |
| 169 | Q | 93.3 | Very high | 93.2 | Very high | 97 Ų | 97 | 42.3 Ų | 42.3 | 45% | 0.453 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65 | -40.7 | 179.4 | -171.5 | 69.9 | -8.9 | 0 | 0 | 111.6 | P165 L166 I172 L173 W191 | P165-Q169 WeakPolarHBondContact O-CB 3.5Å; P165-Q169 PolarHBondContact O-N 2.91Å; L166-Q169 PolarHBondContact O-N 3.31Å; Q169-I172 PolarHBondContact O-N 2.83Å; Q169-L173 WeakPolarHBondContact O-CB 3.33Å; Q169-L173 PolarHBondContact O-N 2.86Å; Q169-W191 VanDerWaalsContact CD-CZ2 3.47Å; Q169-W191 HydrophobicContact CG-CZ2 4.34Å; Q169-W191 VanDerWaalsContact NE2-CZ2 3.26Å |
| 170 | F | 93.6 | Very high | 93.1 | Very high | 7 Ų | 7 | 39.9 Ų | 39.9 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.7 | -47.8 | 173.4 | 174.6 | -117.6 | 0 | 0 | 0 | 112.6 | L109 L114 L117 L118 Y126 V128 F157 L166 I172 L173 V174 | L109-F170 HydrophobicContact CD2-CE1 4.39Å; L114-F170 HydrophobicContact CD1-CB 3.93Å; L114-F170 HydrophobicContact CD1-CD1 3.78Å; L114-F170 HydrophobicContact CD1-CD2 3.61Å; L114-F170 HydrophobicContact CD1-CE1 4.14Å; L114-F170 HydrophobicContact CD1-CE2 3.98Å; L114-F170 HydrophobicContact CD1-CG 3.49Å; L114-F170 VanDerWaalsContact CD1-CG 3.49Å; L114-F170 HydrophobicContact CD1-CZ 4.23Å; L114-F170 HydrophobicContact CD2-CB 4.16Å; L114-F170 HydrophobicContact CD2-CD1 4.47Å; L114-F170 HydrophobicContact CD2-CG 4.4Å; L117-F170 HydrophobicContact CD1-CE2 4.42Å; L117-F170 HydrophobicContact CD1-CZ 4.37Å; L117-F170 HydrophobicContact CD2-CE2 3.9Å; L118-F170 HydrophobicContact CD2-CD2 4.31Å; Y126-F170 HydrophobicContact CD1-CE1 4.33Å; Y126-F170 AromaticContact CD1-CZ 3.84Å; Y126-F170 HydrophobicContact CD1-CZ 3.84Å; Y126-F170 AromaticContact CE1-CE1 3.94Å; Y126-F170 HydrophobicContact CE1-CE1 3.94Å; Y126-F170 AromaticContact CE1-CZ 3.94Å; Y126-F170 HydrophobicContact CE1-CZ 3.94Å; V128-F170 HydrophobicContact CG2-CE1 4.19Å; V128-F170 HydrophobicContact CG2-CZ 4.32Å; F157-F170 HydrophobicContact CZ-CD1 4.35Å; F157-F170 HydrophobicContact CZ-CE1 4.09Å; L166-F170 WeakPolarHBondContact O-CB 3.28Å; L166-F170 PolarHBondContact O-N 2.83Å; F170-I172 VanDerWaalsContact C-N 3.28Å; F170-I172 PolarHBondContact O-N 3.32Å; F170-L173 WeakPolarHBondContact O-CB 3.32Å; F170-L173 PolarHBondContact O-N 3.31Å; F170-L173 VanDerWaalsContact O-N 3.14Å; F170-V174 HydrophobicContact CD2-CG1 4.07Å; F170-V174 HydrophobicContact CE2-CG1 3.61Å; F170-V174 HydrophobicContact CZ-CG1 3.94Å; F170-V174 WeakPolarHBondContact O-CG2 3.49Å; F170-V174 PolarHBondContact O-N 3.49Å |
| 171 | V | 94.9 | Very high | 93.1 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.3 | -38.7 | 176.9 | 162.8 | 0 | 0 | 0 | 0 | 111.9 | I97 I153 F157 F167 Q168 V174 S175 | I97-V171 HydrophobicContact CD1-CG1 4.13Å; I97-V171 HydrophobicContact CG2-CG1 4.11Å; I153-V171 HydrophobicContact CD1-CG1 3.59Å; I153-V171 HydrophobicContact CD1-CG2 4.29Å; F157-V171 HydrophobicContact CD1-CG2 4.3Å; F157-V171 HydrophobicContact CE1-CG2 3.54Å; F157-V171 HydrophobicContact CZ-CG2 3.73Å; F167-V171 WeakPolarHBondContact O-CB 3.39Å; F167-V171 VanDerWaalsContact O-CG2 3.31Å; F167-V171 WeakPolarHBondContact O-CG2 3.46Å; F167-V171 PolarHBondContact O-N 2.83Å; Q168-V171 PolarHBondContact O-N 3.26Å; V171-V174 WeakPolarHBondContact O-CG2 3.4Å; V171-S175 WeakPolarHBondContact O-CB 3.48Å; V171-S175 PolarHBondContact O-N 2.87Å; V171-S175 PolarHBondContact O-OG 3.5Å |
| 172 | I | 95.9 | Very high | 93 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68 | -45 | 175.1 | -63.2 | 164.6 | 0 | 0 | 0 | 110.6 | L80 V82 I97 Q168 Q169 F170 S175 V176 W191 V193 | L80-I172 HydrophobicContact CD1-CG1 4.5Å; V82-I172 HydrophobicContact CG1-CG2 4.07Å; V82-I172 HydrophobicContact CG2-CD1 4.08Å; V82-I172 HydrophobicContact CG2-CG1 3.89Å; V82-I172 HydrophobicContact CG2-CG2 4.01Å; I97-I172 HydrophobicContact CD1-CB 4.45Å; I97-I172 HydrophobicContact CD1-CG1 3.89Å; Q168-I172 HydrophobicContact CG-CD1 4.21Å; Q168-I172 VanDerWaalsContact O-CG1 3.3Å; Q168-I172 WeakPolarHBondContact O-CG1 3.48Å; Q168-I172 PolarHBondContact O-N 3.4Å; Q169-I172 PolarHBondContact O-N 2.83Å; F170-I172 VanDerWaalsContact C-N 3.28Å; F170-I172 PolarHBondContact O-N 3.32Å; I172-S175 WeakPolarHBondContact O-CB 3.32Å; I172-S175 PolarHBondContact O-N 3.38Å; I172-V176 HydrophobicContact CG2-CG2 4.24Å; I172-V176 WeakPolarHBondContact O-CG2 3.28Å; I172-V176 PolarHBondContact O-N 2.79Å; I172-W191 HydrophobicContact CB-CZ2 4.05Å; I172-W191 HydrophobicContact CG2-CD2 3.71Å; I172-W191 HydrophobicContact CG2-CE3 4.22Å; I172-W191 HydrophobicContact CG2-CG 4.11Å; I172-W191 HydrophobicContact CG2-CH2 4.19Å; I172-W191 HydrophobicContact CG2-CZ2 3.65Å; I172-W191 HydrophobicContact CG2-CZ3 4.45Å; I172-V193 HydrophobicContact CD1-CG2 3.57Å |
| 173 | L | 93.6 | Very high | 92.9 | Very high | 43 Ų | 43 | 46.9 Ų | 46.9 | 23% | 0.225 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.4 | -53.4 | 179.9 | -178.8 | 63.3 | 0 | 0 | 0 | 112 | L118 Q169 F170 S175 V176 E177 W191 | L118-L173 HydrophobicContact CD2-CD2 4.27Å; Q169-L173 WeakPolarHBondContact O-CB 3.33Å; Q169-L173 PolarHBondContact O-N 2.86Å; F170-L173 WeakPolarHBondContact O-CB 3.32Å; F170-L173 PolarHBondContact O-N 3.31Å; F170-L173 VanDerWaalsContact O-N 3.14Å; L173-S175 PolarHBondContact O-N 3.38Å; L173-V176 WeakPolarHBondContact O-CB 3.45Å; L173-V176 PolarHBondContact O-N 3.13Å; L173-V176 VanDerWaalsContact O-N 3.12Å; L173-E177 HydrophobicContact CD1-CG 4.39Å; L173-E177 VanDerWaalsContact CD1-OE1 3.26Å; L173-E177 WeakPolarHBondContact CD1-OE1 3.36Å; L173-E177 WeakPolarHBondContact CG-OE1 3.42Å; L173-E177 WeakPolarHBondContact O-CG 3.44Å; L173-E177 PolarHBondContact O-N 3.48Å; L173-W191 HydrophobicContact CB-CH2 4.01Å; L173-W191 HydrophobicContact CD1-CH2 3.91Å; L173-W191 HydrophobicContact CD1-CZ3 4.42Å |
| 174 | V | 93.9 | Very high | 92.8 | Very high | 23 Ų | 23 | 44.2 Ų | 44.2 | 14% | 0.139 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.6 | -26.6 | 179.3 | -58.9 | 0 | 0 | 0 | 0 | 112.8 | V128 M130 F170 V171 G178 | V128-V174 HydrophobicContact CB-CG2 4.33Å; V128-V174 HydrophobicContact CG1-CG2 4.49Å; V128-V174 HydrophobicContact CG2-CG2 4.23Å; M130-V174 HydrophobicContact CE-CB 4.11Å; M130-V174 HydrophobicContact CE-CG2 3.8Å; F170-V174 HydrophobicContact CD2-CG1 4.07Å; F170-V174 HydrophobicContact CE2-CG1 3.61Å; F170-V174 HydrophobicContact CZ-CG1 3.94Å; F170-V174 WeakPolarHBondContact O-CG2 3.49Å; F170-V174 PolarHBondContact O-N 3.49Å; V171-V174 WeakPolarHBondContact O-CG2 3.4Å; V174-G178 PolarHBondContact O-N 2.72Å |
| 175 | S | 96.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.007 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -73 | -37.9 | 174 | -59.9 | 0 | 0 | 0 | 0 | 112 | V171 I172 L173 L179 | V171-S175 WeakPolarHBondContact O-CB 3.48Å; V171-S175 PolarHBondContact O-N 2.87Å; V171-S175 PolarHBondContact O-OG 3.5Å; I172-S175 WeakPolarHBondContact O-CB 3.32Å; I172-S175 PolarHBondContact O-N 3.38Å; L173-S175 PolarHBondContact O-N 3.38Å; S175-L179 WeakPolarHBondContact O-CG 3.37Å; S175-L179 PolarHBondContact O-N 2.88Å |
| 176 | V | 94.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.3 | -51.8 | 174 | 168.7 | 0 | 0 | 0 | 0 | 109.8 | I95 I172 L173 G178 L179 E180 L187 W191 | I95-V176 HydrophobicContact CD1-CG2 3.64Å; I172-V176 HydrophobicContact CG2-CG2 4.24Å; I172-V176 WeakPolarHBondContact O-CG2 3.28Å; I172-V176 PolarHBondContact O-N 2.79Å; L173-V176 WeakPolarHBondContact O-CB 3.45Å; L173-V176 PolarHBondContact O-N 3.13Å; L173-V176 VanDerWaalsContact O-N 3.12Å; V176-G178 VanDerWaalsContact C-N 3.33Å; V176-G178 PolarHBondContact O-N 2.91Å; V176-L179 PolarHBondContact O-N 2.86Å; V176-L179 VanDerWaalsContact O-N 3.13Å; V176-E180 HydrophobicContact CG1-CG 4.44Å; V176-E180 WeakPolarHBondContact O-CG 3.48Å; V176-E180 PolarHBondContact O-N 3.32Å; V176-L187 HydrophobicContact CG1-CB 3.85Å; V176-L187 HydrophobicContact CG1-CD1 4.1Å; V176-W191 HydrophobicContact CB-CZ3 4.49Å; V176-W191 HydrophobicContact CG2-CE3 4.12Å; V176-W191 HydrophobicContact CG2-CZ3 4.05Å |
| 177 | E | 92.1 | Very high | 92.8 | Very high | 74 Ų | 74 | 41 Ų | 41 | 35% | 0.346 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.9 | -38.4 | 178.9 | -69.3 | 169.6 | -179.2 | 0 | 0 | 112.3 | L173 L179 E180 N181 R189 | L173-E177 HydrophobicContact CD1-CG 4.39Å; L173-E177 VanDerWaalsContact CD1-OE1 3.26Å; L173-E177 WeakPolarHBondContact CD1-OE1 3.36Å; L173-E177 WeakPolarHBondContact CG-OE1 3.42Å; L173-E177 WeakPolarHBondContact O-CG 3.44Å; L173-E177 PolarHBondContact O-N 3.48Å; E177-L179 VanDerWaalsContact C-N 3.34Å; E177-L179 PolarHBondContact O-N 3.46Å; E177-E180 PolarHBondContact O-N 2.98Å; E177-N181 WeakPolarHBondContact O-CB 3.49Å; E177-N181 PolarHBondContact O-N 3.21Å; E177-N181 PolarHBondContact O-ND2 3.23Å; E177-R189 IonicContact OE1-NH1 3.17Å |
| 178 | G | 92.6 | Very high | 92.7 | Very high | 16 Ų | 16 | 42.7 Ų | 42.7 | 17% | 0.165 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.5 | -43.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L132 V174 V176 K182 | L132-G178 VanDerWaalsContact CD1-O 3.24Å; L132-G178 WeakPolarHBondContact CD1-O 3.48Å; V174-G178 PolarHBondContact O-N 2.72Å; V176-G178 VanDerWaalsContact C-N 3.33Å; V176-G178 PolarHBondContact O-N 2.91Å; G178-K182 VanDerWaalsContact O-CB 3.3Å; G178-K182 WeakPolarHBondContact O-CB 3.46Å; G178-K182 PolarHBondContact O-N 2.9Å |
| 179 | L | 94.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -70.4 | -40.9 | 177.5 | -70.8 | 172.8 | 0 | 0 | 0 | 112.7 | I95 L132 Y149 V151 S175 V176 E177 K182 Y183 L187 | I95-L179 HydrophobicContact CB-CD1 4.47Å; I95-L179 HydrophobicContact CD1-CD1 3.91Å; I95-L179 HydrophobicContact CG1-CD1 3.82Å; I95-L179 HydrophobicContact CG2-CD1 3.87Å; L132-L179 HydrophobicContact CB-CD2 4.36Å; L132-L179 HydrophobicContact CD2-CD2 3.97Å; L132-L179 HydrophobicContact CD2-CG 4.16Å; Y149-L179 HydrophobicContact CD1-CD1 4.49Å; Y149-L179 HydrophobicContact CD1-CD2 3.73Å; Y149-L179 HydrophobicContact CD2-CD1 4.4Å; Y149-L179 HydrophobicContact CG-CD1 3.96Å; Y149-L179 HydrophobicContact CG-CD2 4Å; V151-L179 HydrophobicContact CG2-CD1 3.91Å; V151-L179 HydrophobicContact CG2-CD2 4.25Å; V151-L179 HydrophobicContact CG2-CG 4.1Å; S175-L179 WeakPolarHBondContact O-CG 3.37Å; S175-L179 PolarHBondContact O-N 2.88Å; V176-L179 PolarHBondContact O-N 2.86Å; V176-L179 VanDerWaalsContact O-N 3.13Å; E177-L179 VanDerWaalsContact C-N 3.34Å; E177-L179 PolarHBondContact O-N 3.46Å; L179-K182 PolarHBondContact O-N 3.44Å; L179-Y183 HydrophobicContact CD2-CD2 3.94Å; L179-Y183 HydrophobicContact CD2-CE2 3.76Å; L179-Y183 WeakPolarHBondContact O-CB 3.35Å; L179-Y183 PolarHBondContact O-N 3.39Å; L179-L187 HydrophobicContact CB-CD1 4.41Å |
| 180 | E | 91.8 | Very high | 92.5 | Very high | 26 Ų | 26 | 46.9 Ų | 46.9 | 12% | 0.121 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.8 | -48.4 | 174.9 | -70.6 | 173.2 | 132.6 | 0 | 0 | 111.4 | V176 E177 S184 L185 L187 R189 | V176-E180 HydrophobicContact CG1-CG 4.44Å; V176-E180 WeakPolarHBondContact O-CG 3.48Å; V176-E180 PolarHBondContact O-N 3.32Å; E177-E180 PolarHBondContact O-N 2.98Å; E180-S184 WeakPolarHBondContact O-CA 3.27Å; E180-S184 PolarHBondContact O-N 2.84Å; E180-L185 WeakPolarHBondContact CB-O 3.42Å; E180-L185 HydrophobicContact CG-CB 4.38Å; E180-L185 WeakPolarHBondContact CG-O 3.49Å; E180-L185 PolarHBondContact O-N 2.83Å; E180-L185 VanDerWaalsContact O-N 3.14Å; E180-L187 HydrophobicContact CG-CB 4.12Å; E180-L187 HydrophobicContact CG-CD1 4.06Å; E180-L187 HydrophobicContact CG-CG 3.93Å; E180-L187 PolarHBondContact OE1-N 2.89Å; E180-R189 IonicContact OE1-CZ 2.66Å; E180-R189 IonicContact OE1-NH2 2.74Å; E180-R189 PolarHBondContact OE1-NH2 3.14Å; E180-R189 IonicContact OE2-CZ 3.95Å; E180-R189 IonicContact OE2-NH1 2.74Å; E180-R189 IonicContact OE2-NH2 3.02Å; E180-R189 PolarHBondContact OE2-NH2 3.45Å |
| 181 | N | 89.9 | Confident | 92.5 | Very high | 122 Ų | 122 | 48 Ų | 48 | 65% | 0.652 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -66 | -41 | 177.7 | -73.9 | -57.2 | 0 | 0 | 0 | 112.7 | E177 | E177-N181 WeakPolarHBondContact O-CB 3.49Å; E177-N181 PolarHBondContact O-N 3.21Å; E177-N181 PolarHBondContact O-ND2 3.23Å |
| 182 | K | 91.3 | Very high | 92.6 | Very high | 105 Ų | 105 | 55.3 Ų | 55.3 | 46% | 0.457 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -70.7 | -38.6 | -179.3 | -175 | 179.3 | -179.6 | -157.3 | 0 | 113 | L132 G178 L179 | L132-K182 HydrophobicContact CB-CD 3.63Å; L132-K182 HydrophobicContact CD1-CB 3.85Å; L132-K182 HydrophobicContact CD1-CD 3.89Å; L132-K182 HydrophobicContact CD1-CG 4.44Å; L132-K182 HydrophobicContact CG-CD 4.43Å; L132-K182 PolarHBondContact O-NZ 3.03Å; G178-K182 VanDerWaalsContact O-CB 3.3Å; G178-K182 WeakPolarHBondContact O-CB 3.46Å; G178-K182 PolarHBondContact O-N 2.9Å; L179-K182 PolarHBondContact O-N 3.44Å |
| 183 | Y | 89.4 | Confident | 92.6 | Very high | 59 Ų | 59 | 57.7 Ų | 57.7 | 23% | 0.231 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -113.4 | 7.8 | -170.3 | -63.8 | -63.1 | 0 | 0 | 0 | 114.1 | G133 E134 Y149 L179 L185 | G133-Y183 VanDerWaalsContact C-OH 3.25Å; G133-Y183 WeakPolarHBondContact O-CE2 3.28Å; G133-Y183 PolarHBondContact O-OH 2.85Å; E134-Y183 WeakPolarHBondContact CA-OH 3.44Å; E134-Y183 PolarHBondContact N-OH 2.86Å; Y149-Y183 HydrophobicContact CD1-CD2 4.11Å; Y149-Y183 AromaticContact CD1-CE2 3.91Å; Y149-Y183 HydrophobicContact CD1-CE2 3.91Å; Y149-Y183 AromaticContact CE1-CD2 3.71Å; Y149-Y183 HydrophobicContact CE1-CD2 3.71Å; Y149-Y183 AromaticContact CE1-CE2 3.88Å; Y149-Y183 HydrophobicContact CE1-CE2 3.88Å; Y149-Y183 HydrophobicContact CE1-CG 4.33Å; L179-Y183 HydrophobicContact CD2-CD2 3.94Å; L179-Y183 HydrophobicContact CD2-CE2 3.76Å; L179-Y183 WeakPolarHBondContact O-CB 3.35Å; L179-Y183 PolarHBondContact O-N 3.39Å; Y183-L185 VanDerWaalsContact C-N 3.28Å; Y183-L185 PolarHBondContact O-N 2.78Å |
| 184 | S | 89.6 | Confident | 92.6 | Very high | 115 Ų | 115 | 58 Ų | 58 | 80% | 0.804 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 44.1 | -176 | -59 | 0 | 0 | 0 | 0 | 112.9 | E180 | E180-S184 WeakPolarHBondContact O-CA 3.27Å; E180-S184 PolarHBondContact O-N 2.84Å |
| 185 | L | 89.6 | Confident | 92.5 | Very high | 47 Ų | 47 | 66.6 Ų | 66.6 | 25% | 0.246 | 33% | 0.329 | C | S | . | . | trans | -95.6 | 164 | -179 | -53.3 | 170 | 0 | 0 | 0 | 111.3 | Y149 E180 Y183 L187 | Y149-L185 HydrophobicContact CE1-CD1 4.18Å; Y149-L185 HydrophobicContact CE2-CD1 4.21Å; Y149-L185 WeakPolarHBondContact OH-CD1 3.35Å; E180-L185 WeakPolarHBondContact CB-O 3.42Å; E180-L185 HydrophobicContact CG-CB 4.38Å; E180-L185 WeakPolarHBondContact CG-O 3.49Å; E180-L185 PolarHBondContact O-N 2.83Å; E180-L185 VanDerWaalsContact O-N 3.14Å; Y183-L185 VanDerWaalsContact C-N 3.28Å; Y183-L185 PolarHBondContact O-N 2.78Å; L185-L187 HydrophobicContact CB-CG 4.35Å | ||
| 186 | E | 92.3 | Very high | 92.2 | Very high | 55 Ų | 55 | 74.5 Ų | 74.5 | 26% | 0.257 | 37% | 0.371 | S | S | . | . | trans | -125 | 118 | 166 | -56.3 | -179.5 | 153.8 | 0 | 0 | 107.5 | S86 E87 R271 | S86-E186 WeakPolarHBondContact CA-O 3.34Å; E87-E186 PolarHBondContact N-O 3.01Å; E186-R271 IonicContact OE1-CZ 3.79Å; E186-R271 IonicContact OE1-NE 2.71Å; E186-R271 IonicContact OE1-NH1 3.01Å; E186-R271 PolarHBondContact OE1-NH1 2.92Å; E186-R271 IonicContact OE1-NH2 3.73Å; E186-R271 PolarHBondContact OE1-NH2 2.95Å; E186-R271 IonicContact OE2-CZ 3.04Å; E186-R271 IonicContact OE2-NH1 3.05Å; E186-R271 PolarHBondContact OE2-NH1 3.13Å; E186-R271 IonicContact OE2-NH2 2.98Å; E186-R271 PolarHBondContact OE2-NH2 2.74Å | ||
| 187 | L | 92 | Very high | 91.9 | Very high | 8 Ų | 8 | 78.6 Ų | 78.6 | 4% | 0.042 | 39% | 0.387 | C | S | . | . | B | Isolated β-bridge | trans | -118.2 | 135 | -173.8 | -64.7 | 178.8 | 0 | 0 | 0 | 111.3 | T84 V93 I95 V176 L179 E180 L185 R189 | T84-L187 HydrophobicContact CG2-CB 4.49Å; T84-L187 HydrophobicContact CG2-CD2 4.41Å; V93-L187 HydrophobicContact CB-CD2 4.25Å; V93-L187 HydrophobicContact CG1-CD2 4.09Å; V93-L187 HydrophobicContact CG2-CD2 4.01Å; I95-L187 HydrophobicContact CD1-CD1 4.31Å; V176-L187 HydrophobicContact CG1-CB 3.85Å; V176-L187 HydrophobicContact CG1-CD1 4.1Å; L179-L187 HydrophobicContact CB-CD1 4.41Å; E180-L187 HydrophobicContact CG-CB 4.12Å; E180-L187 HydrophobicContact CG-CD1 4.06Å; E180-L187 HydrophobicContact CG-CG 3.93Å; E180-L187 PolarHBondContact OE1-N 2.89Å; L185-L187 HydrophobicContact CB-CG 4.35Å; L187-R189 PolarHBondContact O-NE 2.86Å |
| 188 | N | 91.8 | Very high | 91.9 | Very high | 42 Ų | 42 | 81.5 Ų | 81.5 | 23% | 0.225 | 40% | 0.398 | C | S | . | . | trans | -68.7 | 141.1 | -178.6 | -164.9 | -49.7 | 0 | 0 | 0 | 110.8 | T84 F85 E87 D190 | T84-N188 PolarHBondContact OG1-O 3.14Å; F85-N188 HydrophobicContact CB-CB 4.46Å; F85-N188 WeakPolarHBondContact O-CB 3.45Å; F85-N188 PolarHBondContact O-N 3.24Å; E87-N188 HydrophobicContact CG-CB 4.26Å; E87-N188 PolarHBondContact OE1-ND2 3.3Å; N188-D190 WeakPolarHBondContact OD1-CB 3.36Å; N188-D190 PolarHBondContact OD1-N 3.42Å | ||
| 189 | R | 91.7 | Very high | 92 | Very high | 105 Ų | 105 | 81.8 Ų | 81.8 | 40% | 0.396 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -87.4 | -12 | -177.1 | -51.4 | -60.8 | 161.4 | 142.2 | -3.2 | 113.5 | E177 E180 L187 W191 | E177-R189 IonicContact OE1-NH1 3.17Å; E180-R189 IonicContact OE1-CZ 2.66Å; E180-R189 IonicContact OE1-NH2 2.74Å; E180-R189 PolarHBondContact OE1-NH2 3.14Å; E180-R189 IonicContact OE2-CZ 3.95Å; E180-R189 IonicContact OE2-NH1 2.74Å; E180-R189 IonicContact OE2-NH2 3.02Å; E180-R189 PolarHBondContact OE2-NH2 3.45Å; L187-R189 PolarHBondContact O-NE 2.86Å; R189-W191 HydrophobicContact CB-CZ3 4.29Å; R189-W191 PolarHBondContact O-N 2.85Å |
| 190 | D | 91.1 | Very high | 91.9 | Very high | 133 Ų | 133 | 82 Ų | 82 | 71% | 0.711 | 40% | 0.396 | S | S | * | . | trans | -77.1 | 50.5 | 173 | -72.6 | -31.3 | 0 | 0 | 0 | 112.7 | N188 | N188-D190 WeakPolarHBondContact OD1-CB 3.36Å; N188-D190 PolarHBondContact OD1-N 3.42Å | ||
| 191 | W | 94.5 | Very high | 91.8 | Very high | 29 Ų | 29 | 82.3 Ų | 82.3 | 11% | 0.11 | 41% | 0.406 | C | S | . | . | trans | -74.9 | 158.2 | -176.8 | 60.3 | 64.9 | 0 | 0 | 0 | 113.7 | V82 K83 Q169 I172 L173 V176 R189 | V82-W191 HydrophobicContact CG1-CB 3.62Å; V82-W191 HydrophobicContact CG1-CG 3.93Å; K83-W191 CarbonylContact O-C 3.55Å; K83-W191 WeakPolarHBondContact O-CA 3.4Å; Q169-W191 VanDerWaalsContact CD-CZ2 3.47Å; Q169-W191 HydrophobicContact CG-CZ2 4.34Å; Q169-W191 VanDerWaalsContact NE2-CZ2 3.26Å; I172-W191 HydrophobicContact CB-CZ2 4.05Å; I172-W191 HydrophobicContact CG2-CD2 3.71Å; I172-W191 HydrophobicContact CG2-CE3 4.22Å; I172-W191 HydrophobicContact CG2-CG 4.11Å; I172-W191 HydrophobicContact CG2-CH2 4.19Å; I172-W191 HydrophobicContact CG2-CZ2 3.65Å; I172-W191 HydrophobicContact CG2-CZ3 4.45Å; L173-W191 HydrophobicContact CB-CH2 4.01Å; L173-W191 HydrophobicContact CD1-CH2 3.91Å; L173-W191 HydrophobicContact CD1-CZ3 4.42Å; V176-W191 HydrophobicContact CB-CZ3 4.49Å; V176-W191 HydrophobicContact CG2-CE3 4.12Å; V176-W191 HydrophobicContact CG2-CZ3 4.05Å; R189-W191 HydrophobicContact CB-CZ3 4.29Å; R189-W191 PolarHBondContact O-N 2.85Å | ||
| 192 | K | 95.4 | Very high | 91.5 | Very high | 157 Ų | 157 | 81.2 Ų | 81.2 | 68% | 0.683 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 113.1 | -178.7 | -63.2 | -177.8 | -177.1 | 176.4 | 0 | 110.7 | K83 | K83-K192 PolarHBondContact N-O 2.83Å; K83-K192 PolarHBondContact O-N 3.47Å |
| 193 | V | 96.5 | Very high | 91.1 | Very high | 51 Ų | 51 | 77.8 Ų | 77.8 | 31% | 0.309 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 128.7 | 173.6 | -175.5 | 0 | 0 | 0 | 0 | 109.7 | L80 I172 K195 | L80-V193 HydrophobicContact CB-CG1 4.38Å; L80-V193 HydrophobicContact CD1-CG1 4.32Å; I172-V193 HydrophobicContact CD1-CG2 3.57Å; V193-K195 PolarHBondContact O-N 2.99Å |
| 194 | L | 94.5 | Very high | 90.3 | Very high | 48 Ų | 48 | 77.5 Ų | 77.5 | 25% | 0.251 | 40% | 0.402 | S | S | . | . | trans | -80 | 118.2 | -179 | -58.9 | -173.2 | 0 | 0 | 0 | 111.1 | C81 K83 F94 R197 | C81-L194 HydrophobicContact CB-CB 4.4Å; C81-L194 HydrophobicContact CB-CD1 4.06Å; C81-L194 HydrophobicContact CB-CG 4.39Å; C81-L194 PolarHBondContact O-N 2.88Å; K83-L194 HydrophobicContact CB-CD2 4.1Å; F94-L194 HydrophobicContact CD1-CD1 4.19Å; F94-L194 HydrophobicContact CE1-CD1 4.02Å; L194-R197 HydrophobicContact CB-CB 4.4Å; L194-R197 WeakPolarHBondContact CB-O 3.49Å; L194-R197 HydrophobicContact CD1-CB 4.14Å; L194-R197 HydrophobicContact CD1-CG 4.44Å | ||
| 195 | K | 90.3 | Very high | 89.8 | Confident | 204 Ų | 204 | 77.8 Ų | 77.8 | 89% | 0.887 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -71 | -33.4 | 179.9 | -61.4 | -173.6 | 178.8 | -175.2 | 0 | 113.7 | V193 | V193-K195 PolarHBondContact O-N 2.99Š|
| 196 | N | 89.9 | Confident | 88.9 | Confident | 167 Ų | 167 | 76.2 Ų | 76.2 | 89% | 0.893 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -106.8 | 5 | -170.4 | -60.6 | 6 | 0 | 0 | 0 | 113.7 | ||
| 197 | R | 89.8 | Confident | 88 | Confident | 88 Ų | 88 | 78.6 Ų | 78.6 | 33% | 0.332 | 40% | 0.397 | S | S | . | . | trans | -147.7 | 117.3 | -178.4 | 179.9 | 173.6 | -71.3 | 164.7 | 5.9 | 109.4 | C81 N141 L194 F199 L200 | C81-R197 WeakPolarHBondContact CB-O 3.35Å; N141-R197 PolarHBondContact OD1-NH1 3.12Å; N141-R197 PolarHBondContact OD1-NH2 2.9Å; L194-R197 HydrophobicContact CB-CB 4.4Å; L194-R197 WeakPolarHBondContact CB-O 3.49Å; L194-R197 HydrophobicContact CD1-CB 4.14Å; L194-R197 HydrophobicContact CD1-CG 4.44Å; R197-F199 VanDerWaalsContact CD-O 3.32Å; R197-F199 WeakPolarHBondContact CD-O 3.49Å; R197-F199 WeakPolarHBondContact CG-O 3.43Å; R197-L200 VanDerWaalsContact NH1-CD1 3.26Å | ||
| 198 | K | 92.5 | Very high | 86.9 | Confident | 134 Ų | 134 | 78.8 Ų | 78.8 | 58% | 0.583 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -87.9 | -14.9 | 179.5 | -68.9 | -173 | 170.9 | -169.6 | 0 | 114.5 | P78 G79 L80 C81 | P78-K198 HydrophobicContact CB-CB 4.21Å; G79-K198 WeakPolarHBondContact O-CD 3.39Å; G79-K198 WeakPolarHBondContact O-CG 3.42Å; L80-K198 CarbonylContact C-O 3.55Å; C81-K198 PolarHBondContact N-O 2.91Å |
| 199 | F | 94.3 | Very high | 85.7 | Confident | 22 Ų | 22 | 82.1 Ų | 82.1 | 10% | 0.096 | 41% | 0.407 | C | S | . | . | trans | -152.9 | 139.5 | -178.6 | -165.7 | -87.3 | 0 | 0 | 0 | 108.9 | P78 N96 D150 R197 G201 S202 V203 | P78-F199 HydrophobicContact CB-CB 4.06Å; P78-F199 HydrophobicContact CB-CD2 4.47Å; P78-F199 HydrophobicContact CG-CB 4.15Å; P78-F199 HydrophobicContact CG-CD2 4.18Å; P78-F199 HydrophobicContact CG-CG 4.36Å; N96-F199 HydrophobicContact CB-CD2 3.58Å; N96-F199 HydrophobicContact CB-CE2 3.62Å; N96-F199 HydrophobicContact CB-CG 4.33Å; N96-F199 HydrophobicContact CB-CZ 4.38Å; N96-F199 WeakPolarHBondContact ND2-CZ 3.07Å; N96-F199 WeakPolarHBondContact OD1-CA 3.3Å; D150-F199 WeakPolarHBondContact OD1-CE2 3.04Å; D150-F199 VanDerWaalsContact OD1-CZ 3.23Å; D150-F199 WeakPolarHBondContact OD1-CZ 3.35Å; D150-F199 WeakPolarHBondContact OD2-CZ 3.43Å; R197-F199 VanDerWaalsContact CD-O 3.32Å; R197-F199 WeakPolarHBondContact CD-O 3.49Å; R197-F199 WeakPolarHBondContact CG-O 3.43Å; F199-G201 WeakPolarHBondContact CD1-O 3.3Å; F199-S202 VanDerWaalsContact CE1-C 3.46Å; F199-V203 HydrophobicContact CD1-CG2 3.96Å; F199-V203 HydrophobicContact CD2-CG2 4Å; F199-V203 HydrophobicContact CE1-CG2 4Å; F199-V203 HydrophobicContact CE2-CG2 4.02Å; F199-V203 HydrophobicContact CG-CG2 3.98Å; F199-V203 HydrophobicContact CZ-CB 4.39Å; F199-V203 HydrophobicContact CZ-CG2 4.03Å | ||
| 200 | L | 92.8 | Very high | 84.1 | Confident | 5 Ų | 5 | 81.1 Ų | 81.1 | 3% | 0.026 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -102.9 | 128.5 | 166.8 | -175.8 | 69.9 | 0 | 0 | 0 | 109.4 | F94 N96 E138 A148 R197 | F94-L200 HydrophobicContact CB-CB 4.39Å; F94-L200 HydrophobicContact CB-CD2 3.81Å; F94-L200 HydrophobicContact CD1-CD2 3.99Å; F94-L200 HydrophobicContact CD2-CD2 3.33Å; F94-L200 HydrophobicContact CE1-CD2 4.37Å; F94-L200 HydrophobicContact CE2-CD2 3.77Å; F94-L200 HydrophobicContact CG-CD2 3.44Å; F94-L200 VanDerWaalsContact CG-CD2 3.44Å; F94-L200 HydrophobicContact CZ-CD2 4.26Å; N96-L200 PolarHBondContact ND2-O 3.3Å; N96-L200 PolarHBondContact OD1-N 2.96Å; E138-L200 HydrophobicContact CB-CD2 3.81Å; E138-L200 HydrophobicContact CB-CG 4Å; E138-L200 HydrophobicContact CG-CD2 4.46Å; E138-L200 HydrophobicContact CG-CG 4.19Å; A148-L200 HydrophobicContact CB-CD2 4.46Å; R197-L200 VanDerWaalsContact NH1-CD1 3.26Å |
| 201 | G | 88.7 | Confident | 82.4 | Confident | 32 Ų | 32 | 81 Ų | 81 | 33% | 0.33 | 40% | 0.401 | S | S | . | . | S | Bend | trans | 92.4 | -159.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | E138 F199 | E138-G201 WeakPolarHBondContact OE1-CA 3.38Å; F199-G201 WeakPolarHBondContact CD1-O 3.3Å |
| 202 | S | 83.9 | Confident | 80.2 | Confident | 99 Ų | 99 | 84.3 Ų | 84.3 | 69% | 0.692 | 43% | 0.428 | S | S | * | . | trans | -99.6 | 132 | 177.3 | -65.9 | 0 | 0 | 0 | 0 | 111.5 | F199 S204 | F199-S202 VanDerWaalsContact CE1-C 3.46Å; S202-S204 PolarHBondContact O-N 2.88Å | ||
| 203 | V | 82 | Confident | 77.9 | Confident | 33 Ų | 33 | 85.8 Ų | 85.8 | 20% | 0.2 | 43% | 0.43 | C | S | . | . | trans | -67.8 | 98.7 | 177.7 | -176.1 | 0 | 0 | 0 | 0 | 109.9 | R75 P76 P78 F199 | R75-V203 HydrophobicContact CG-CG1 4.11Å; R75-V203 PolarHBondContact NE-O 3.1Å; R75-V203 PolarHBondContact NH2-O 2.66Å; P76-V203 HydrophobicContact CG-CG1 4.36Å; P76-V203 WeakPolarHBondContact O-CG1 3.42Å; P78-V203 HydrophobicContact CG-CG2 3.56Å; F199-V203 HydrophobicContact CD1-CG2 3.96Å; F199-V203 HydrophobicContact CD2-CG2 4Å; F199-V203 HydrophobicContact CE1-CG2 4Å; F199-V203 HydrophobicContact CE2-CG2 4.02Å; F199-V203 HydrophobicContact CG-CG2 3.98Å; F199-V203 HydrophobicContact CZ-CB 4.39Å; F199-V203 HydrophobicContact CZ-CG2 4.03Å | ||
| 204 | S | 74.2 | Confident | 75.3 | Confident | 53 Ų | 53 | 88.8 Ų | 88.8 | 37% | 0.371 | 45% | 0.45 | S | S | . | . | trans | -70.6 | 165.5 | 174.4 | 65.2 | 0 | 0 | 0 | 0 | 111.7 | D150 S202 | D150-S204 PolarHBondContact OD2-OG 3.29Å; S202-S204 PolarHBondContact O-N 2.88Å | ||
| 205 | E | 77.4 | Confident | 72.9 | Confident | 122 Ų | 122 | 92.5 Ų | 92.5 | 57% | 0.57 | 48% | 0.475 | S | S | * | . | trans | -93.8 | 131.2 | 171 | -64.4 | 177.9 | 140.9 | 0 | 0 | 108.8 | L73 I74 R75 | L73-E205 HydrophobicContact CD1-CB 3.89Å; L73-E205 HydrophobicContact CD2-CB 4.31Å; L73-E205 HydrophobicContact CG-CB 3.99Å; I74-E205 CarbonylContact O-C 3.55Å; I74-E205 WeakPolarHBondContact O-CA 3.48Å; R75-E205 HydrophobicContact CB-CG 4.22Å; R75-E205 HydrophobicContact CG-CG 4.24Å | ||
| 206 | Q | 70.5 | Confident | 70.5 | Confident | 13 Ų | 13 | 90.5 Ų | 90.5 | 6% | 0.061 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 135.3 | 179.1 | -68.7 | -165.6 | 4.5 | 0 | 0 | 110.4 | I74 S131 D150 I208 | I74-Q206 HydrophobicContact CG1-CB 4.48Å; I74-Q206 WeakPolarHBondContact CG1-O 3.41Å; I74-Q206 PolarHBondContact N-O 2.91Å; I74-Q206 PolarHBondContact O-N 2.92Å; S131-Q206 PolarHBondContact OG-OE1 2.95Å; D150-Q206 PolarHBondContact O-NE2 2.8Å; Q206-I208 HydrophobicContact CB-CG2 4.28Å; Q206-I208 PolarHBondContact O-N 3.09Å |
| 207 | N | 75 | Confident | 68.3 | Low | 106 Ų | 106 | 90.5 Ų | 90.5 | 57% | 0.567 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 103.2 | 175.2 | -149.4 | -25.4 | 0 | 0 | 0 | 109 | ||
| 208 | I | 68.2 | Low | 66.2 | Low | 11 Ų | 11 | 94.7 Ų | 94.7 | 6% | 0.056 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 144.6 | -175.5 | 64.7 | 160.1 | 0 | 0 | 0 | 111.5 | S71 T72 I74 V103 Q206 | S71-I208 CarbonylContact C-O 3.53Å; S71-I208 WeakPolarHBondContact CA-O 3.4Å; T72-I208 PolarHBondContact N-O 2.63Å; T72-I208 WeakPolarHBondContact O-CG1 3.46Å; T72-I208 PolarHBondContact O-N 2.99Å; I74-I208 HydrophobicContact CD1-CD1 3.69Å; I74-I208 HydrophobicContact CD1-CG1 4.12Å; I74-I208 HydrophobicContact CD1-CG2 4.06Å; I74-I208 HydrophobicContact CG1-CD1 4.11Å; I74-I208 HydrophobicContact CG1-CG1 4.01Å; I74-I208 HydrophobicContact CG1-CG2 4.07Å; I74-I208 HydrophobicContact CG2-CD1 4.02Å; I74-I208 HydrophobicContact CG2-CG1 4.01Å; V103-I208 HydrophobicContact CG2-CD1 4.03Å; Q206-I208 HydrophobicContact CB-CG2 4.28Å; Q206-I208 PolarHBondContact O-N 3.09Å |
| 209 | R | 67.6 | Low | 63.6 | Low | 113 Ų | 113 | 96.3 Ų | 96.3 | 43% | 0.426 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 108 | 174 | -172.7 | -169.7 | 171.7 | 116.1 | 1.7 | 108.8 | P69 K211 | P69-R209 VanDerWaalsContact CG-NH1 3.35Å; R209-K211 VanDerWaalsContact C-N 3.28Å; R209-K211 WeakPolarHBondContact CD-O 3.4Å; R209-K211 WeakPolarHBondContact CG-O 3.25Å; R209-K211 PolarHBondContact NE-O 3.08Å; R209-K211 PolarHBondContact O-N 3.19Å |
| 210 | M | 56.8 | Low | 61 | Low | 84 Ų | 84 | 102.3 Ų | 102.3 | 41% | 0.414 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -65.6 | -30.3 | -173.4 | -66.9 | -174.5 | 67.1 | 0 | 0 | 113.6 | D70 T72 | D70-M210 HydrophobicContact CB-CB 4.15Å; D70-M210 PolarHBondContact O-N 2.64Å; T72-M210 HydrophobicContact CG2-SD 4.47Å; T72-M210 PolarHBondContact OG1-SD 2.83Å |
| 211 | K | 56 | Low | 58.2 | Low | 130 Ų | 130 | 107.9 Ų | 107.9 | 57% | 0.565 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -99.4 | 119 | 175.9 | -70.2 | 168.7 | 179.7 | 158.3 | 0 | 109.9 | D70 R209 | D70-K211 VanDerWaalsContact OD2-CD 3.3Å; D70-K211 WeakPolarHBondContact OD2-CD 3.45Å; D70-K211 WeakPolarHBondContact OD2-CE 3.33Å; D70-K211 IonicContact OD2-NZ 3.15Å; D70-K211 PolarHBondContact OD2-NZ 2.93Å; R209-K211 VanDerWaalsContact C-N 3.28Å; R209-K211 WeakPolarHBondContact CD-O 3.4Å; R209-K211 WeakPolarHBondContact CG-O 3.25Å; R209-K211 PolarHBondContact NE-O 3.08Å; R209-K211 PolarHBondContact O-N 3.19Å |
| 212 | S | 47.8 | Very low | 55.8 | Low | 98 Ų | 98 | 114.6 Ų | 114.6 | 69% | 0.685 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 144.4 | 159.7 | 44.3 | 0 | 0 | 0 | 0 | 109.2 | ||
| 213 | R | 48.3 | Very low | 53.2 | Low | 188 Ų | 188 | 115.8 Ų | 115.8 | 71% | 0.709 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 131.1 | 168.1 | -69.9 | -175.5 | -179 | -154.4 | 2.1 | 106.6 | V215 | R213-V215 PolarHBondContact O-N 3.07Å; R213-V215 VanDerWaalsContact O-N 3.11Å |
| 214 | P | 41.4 | Very low | 51.1 | Low | 114 Ų | 114 | 119.4 Ų | 119.4 | 74% | 0.74 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 122.4 | 161.5 | 26.2 | -31.9 | 0 | 0 | 0 | 106.2 | I216 | P214-I216 PolarHBondContact O-N 3.48Š|
| 215 | V | 44.1 | Very low | 49.1 | Very low | 127 Ų | 127 | 125.3 Ų | 125.3 | 77% | 0.77 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 129.6 | 176 | 178.9 | 0 | 0 | 0 | 0 | 106.4 | R213 Q217 | R213-V215 PolarHBondContact O-N 3.07Å; R213-V215 VanDerWaalsContact O-N 3.11Å; V215-Q217 PolarHBondContact O-N 3.19Å |
| 216 | I | 40 | Very low | 46.8 | Very low | 161 Ų | 161 | 123.2 Ų | 123.2 | 83% | 0.826 | 66% | 0.66 | S | S | * | * | trans | -72.3 | 88.9 | 166.2 | -60.5 | 175.5 | 0 | 0 | 0 | 105.2 | P214 | P214-I216 PolarHBondContact O-N 3.48Š| ||
| 217 | Q | 43.3 | Very low | 45.3 | Very low | 168 Ų | 168 | 127.5 Ų | 127.5 | 79% | 0.785 | 70% | 0.698 | S | S | * | * | trans | -77.1 | 122.8 | 169.4 | -174.7 | 169.1 | -4.6 | 0 | 0 | 107 | V215 L219 | V215-Q217 PolarHBondContact O-N 3.19Å; Q217-L219 PolarHBondContact O-N 3.37Å | ||
| 218 | E | 44.7 | Very low | 43.2 | Very low | 176 Ų | 176 | 129.5 Ų | 129.5 | 82% | 0.822 | 71% | 0.714 | S | S | * | * | trans | -63.8 | 123.4 | -178.2 | -63.6 | -170.3 | 156.6 | 0 | 0 | 110 | Q220 | E218-Q220 PolarHBondContact O-N 3.19Š| ||
| 219 | L | 37.8 | Very low | 41.5 | Very low | 168 Ų | 168 | 138 Ų | 138 | 88% | 0.88 | 75% | 0.753 | S | S | * | * | trans | -71.1 | 109.3 | 171.5 | -69.3 | 173 | 0 | 0 | 0 | 107.8 | Q217 | Q217-L219 PolarHBondContact O-N 3.37Š| ||
| 220 | Q | 41.2 | Very low | 40.3 | Very low | 147 Ų | 147 | 137.1 Ų | 137.1 | 69% | 0.687 | 77% | 0.77 | S | S | * | * | trans | -53.9 | 128.2 | 176 | -69.5 | 179.5 | -10.5 | 0 | 0 | 110.1 | E218 H222 | E218-Q220 PolarHBondContact O-N 3.19Å; Q220-H222 PolarHBondContact O-N 2.99Å | ||
| 221 | P | 34.1 | Very low | 39.3 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | trans | -71.8 | 97.4 | 178.5 | 28.3 | -33.6 | 0 | 0 | 0 | 110.2 | C223 | P221-C223 PolarHBondContact O-N 3.39Š| ||
| 222 | H | 37.1 | Very low | 37.9 | Very low | 173 Ų | 173 | 136.6 Ų | 136.6 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | trans | -61.2 | 100.5 | 177.4 | -60.4 | -54 | 0 | 0 | 0 | 111.7 | Q220 | Q220-H222 PolarHBondContact O-N 2.99Š| ||
| 223 | C | 28.9 | Very low | 37 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | trans | -76.5 | 134.2 | 163.7 | -74.9 | 0 | 0 | 0 | 0 | 109.9 | P221 | P221-C223 PolarHBondContact O-N 3.39Š| ||
| 224 | P | 39.3 | Very low | 36.4 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | trans | -96.4 | 169.1 | -166.5 | 38.3 | -38.5 | 0 | 0 | 0 | 114.8 | ||||
| 225 | L | 32.3 | Very low | 36.1 | Very low | 177 Ų | 177 | 143.7 Ų | 143.7 | 93% | 0.927 | 80% | 0.802 | S | S | * | * | trans | 74.3 | 134.4 | -178.6 | -73 | 63.1 | 0 | 0 | 0 | 114.3 | ||||
| 226 | G | 29.3 | Very low | 35.5 | Very low | 77 Ų | 77 | 143.1 Ų | 143.1 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | cis | -147.3 | 161.8 | 2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 227 | A | 38.2 | Very low | 35.4 | Very low | 103 Ų | 103 | 140.8 Ų | 140.8 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -88.8 | 136.2 | -161.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 228 | V | 31.8 | Very low | 35.4 | Very low | 149 Ų | 149 | 140.5 Ų | 140.5 | 90% | 0.903 | 80% | 0.795 | S | S | * | * | trans | -134.5 | 162 | 146.5 | -167.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 229 | Q | 31.8 | Very low | 35.8 | Very low | 188 Ų | 188 | 138.5 Ų | 138.5 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -80 | 152.2 | -157.2 | -66.2 | 165 | -15.8 | 0 | 0 | 116.3 | ||||
| 230 | A | 42.5 | Very low | 37 | Very low | 96 Ų | 96 | 134.4 Ų | 134.4 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | trans | -44.5 | 135.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 231 | S | 34.6 | Very low | 38.5 | Very low | 105 Ų | 105 | 133.5 Ų | 133.5 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | -167 | 158 | 130.9 | 30.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 232 | S | 27.8 | Very low | 40.7 | Very low | 97 Ų | 97 | 128 Ų | 128 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | trans | 42.8 | 90.7 | 170.9 | 56.9 | 0 | 0 | 0 | 0 | 117.9 | H234 | S232-H234 PolarHBondContact O-N 2.67Š| ||
| 233 | W | 28.4 | Very low | 43 | Very low | 221 Ų | 221 | 125.6 Ų | 125.6 | 84% | 0.837 | 72% | 0.719 | S | S | * | * | trans | -77.4 | 101.6 | 162.1 | -70.6 | 80 | 0 | 0 | 0 | 110.1 | E235 | W233-E235 WeakPolarHBondContact CZ3-OE2 3.28Š| ||
| 234 | H | 34.9 | Very low | 45.7 | Very low | 177 Ų | 177 | 121.7 Ų | 121.7 | 82% | 0.819 | 69% | 0.693 | S | S | * | * | trans | -105.8 | 115.6 | 154.1 | -73.5 | -95.8 | 0 | 0 | 0 | 106.4 | S232 | S232-H234 PolarHBondContact O-N 2.67Š| ||
| 235 | E | 36 | Very low | 48 | Very low | 152 Ų | 152 | 118.6 Ų | 118.6 | 71% | 0.71 | 67% | 0.674 | S | S | * | * | trans | -129.5 | 112.9 | -177.9 | -162.9 | 153.5 | -140.3 | 0 | 0 | 110 | W233 | W233-E235 WeakPolarHBondContact CZ3-OE2 3.28Š| ||
| 236 | T | 32.5 | Very low | 50.6 | Low | 115 Ų | 115 | 113.4 Ų | 113.4 | 71% | 0.706 | 65% | 0.647 | S | S | * | * | trans | -74.6 | 142.8 | -171.9 | -51.4 | 0 | 0 | 0 | 0 | 111 | L238 | T236-L238 PolarHBondContact O-N 3.23Å; T236-L238 VanDerWaalsContact O-N 3.07Å | ||
| 237 | T | 36.5 | Very low | 53.4 | Low | 111 Ų | 111 | 113.8 Ų | 113.8 | 68% | 0.681 | 63% | 0.63 | S | S | * | * | trans | -59.7 | 109.1 | 166 | 41.8 | 0 | 0 | 0 | 0 | 109.8 | E239 | T237-E239 PolarHBondContact O-N 3Å; T237-E239 VanDerWaalsContact O-N 3.16Å | ||
| 238 | L | 43.5 | Very low | 55.7 | Low | 162 Ų | 162 | 111.3 Ų | 111.3 | 85% | 0.848 | 60% | 0.604 | S | S | * | * | trans | -71.9 | 109.6 | -179.4 | -67.9 | 176.2 | 0 | 0 | 0 | 110.6 | T236 | T236-L238 PolarHBondContact O-N 3.23Å; T236-L238 VanDerWaalsContact O-N 3.07Å | ||
| 239 | E | 53.1 | Low | 58.2 | Low | 135 Ų | 135 | 109.3 Ų | 109.3 | 63% | 0.631 | 59% | 0.585 | S | S | * | * | trans | -59.8 | 133.4 | 169.9 | -64.2 | 165.2 | 167 | 0 | 0 | 109.9 | T237 I241 H292 | T237-E239 PolarHBondContact O-N 3Å; T237-E239 VanDerWaalsContact O-N 3.16Å; E239-I241 PolarHBondContact O-N 2.76Å; E239-H292 HydrophobicContact CB-CB 4.17Å; E239-H292 HydrophobicContact CG-CB 4.37Å; E239-H292 IonicContact OE2-CD2 3.73Å; E239-H292 PolarHBondContact OE2-CD2 2.93Å; E239-H292 IonicContact OE2-CG 2.64Å | ||
| 240 | V | 63.3 | Low | 60.7 | Low | 82 Ų | 82 | 102.6 Ų | 102.6 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | trans | -80.4 | 111.7 | 175.6 | -174.2 | 0 | 0 | 0 | 0 | 108.4 | P242 Y291 H292 | V240-P242 WeakPolarHBondContact O-CD 3.4Å; V240-Y291 HydrophobicContact CB-CD1 4.17Å; V240-Y291 HydrophobicContact CB-CE1 4.2Å; V240-Y291 HydrophobicContact CG1-CD1 4.01Å; V240-Y291 HydrophobicContact CG1-CE1 3.67Å; V240-Y291 WeakPolarHBondContact O-CA 3.42Å; V240-Y291 WeakPolarHBondContact O-CD1 3.48Å; V240-H292 PolarHBondContact O-N 3.45Å | ||
| 241 | I | 73.1 | Confident | 62.3 | Low | 127 Ų | 127 | 103.5 Ų | 103.5 | 65% | 0.651 | 56% | 0.556 | S | S | * | * | trans | -70.9 | 121.1 | 170.9 | -56.3 | 176.6 | 0 | 0 | 0 | 107.8 | E239 H292 L293 | E239-I241 PolarHBondContact O-N 2.76Å; I241-H292 WeakPolarHBondContact CA-O 3.38Å; I241-L293 HydrophobicContact CG2-CD1 3.93Å | ||
| 242 | P | 80.4 | Confident | 64.1 | Low | 7 Ų | 7 | 104.3 Ų | 104.3 | 5% | 0.045 | 56% | 0.556 | C | S | . | * | trans | -70.1 | 153.6 | 178.4 | 28.9 | -33.4 | 0 | 0 | 0 | 111.2 | V240 C244 I262 K263 L264 Y291 H292 L293 | V240-P242 WeakPolarHBondContact O-CD 3.4Å; P242-C244 PolarHBondContact O-N 2.82Å; P242-I262 HydrophobicContact CB-CG2 3.72Å; P242-I262 HydrophobicContact CG-CG2 3.63Å; P242-K263 WeakPolarHBondContact CB-O 3.49Å; P242-L264 HydrophobicContact CB-CD2 3.83Å; P242-L264 HydrophobicContact CG-CD2 4.23Å; P242-Y291 HydrophobicContact CB-CD1 3.64Å; P242-Y291 HydrophobicContact CB-CE1 4.25Å; P242-Y291 HydrophobicContact CB-CG 4.12Å; P242-Y291 HydrophobicContact CG-CD1 4.29Å; P242-H292 WeakPolarHBondContact CD-O 3.42Å; P242-L293 HydrophobicContact CG-CB 3.83Å; P242-L293 HydrophobicContact CG-CD1 4.2Å; P242-L293 HydrophobicContact CG-CD2 4.43Å; P242-L293 HydrophobicContact CG-CG 4.38Å | ||
| 243 | E | 85.7 | Confident | 66.6 | Low | 123 Ų | 123 | 103.1 Ų | 103.1 | 58% | 0.575 | 56% | 0.559 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -68.3 | 106.4 | 173.6 | -164.4 | -167.4 | 154.7 | 0 | 0 | 109 | K263 | E243-K263 HydrophobicContact CB-CB 4.34Å; E243-K263 HydrophobicContact CB-CD 4.3Å; E243-K263 HydrophobicContact CB-CG 4.44Å; E243-K263 PolarHBondContact O-N 2.87Å; E243-K263 WeakPolarHBondContact OE1-CE 3.31Å; E243-K263 IonicContact OE1-NZ 3.7Å; E243-K263 PolarHBondContact OE1-NZ 3.17Å; E243-K263 WeakPolarHBondContact OE2-CD 3.46Å; E243-K263 WeakPolarHBondContact OE2-CE 3.27Å; E243-K263 IonicContact OE2-NZ 3.68Å; E243-K263 PolarHBondContact OE2-NZ 2.88Å |
| 244 | C | 85.5 | Confident | 69 | Low | 41 Ų | 41 | 100.5 Ų | 100.5 | 28% | 0.277 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112 | 132.7 | 180 | 179.9 | 0 | 0 | 0 | 0 | 110.5 | P242 E261 I262 L293 | P242-C244 PolarHBondContact O-N 2.82Å; C244-E261 CarbonylContact C-O 3.59Å; C244-E261 WeakPolarHBondContact CA-O 3.43Å; C244-I262 HydrophobicContact CB-CG1 4.25Å; C244-L293 HydrophobicContact CB-CD1 4.12Å; C244-L293 HydrophobicContact CB-CD2 4Å |
| 245 | S | 87.8 | Confident | 71.3 | Confident | 45 Ų | 45 | 94.1 Ų | 94.1 | 32% | 0.315 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 123.7 | 171.5 | 47.4 | 0 | 0 | 0 | 0 | 110.6 | E261 | S245-E261 PolarHBondContact N-O 2.68Å; S245-E261 PolarHBondContact O-N 3.48Å |
| 246 | L | 86.8 | Confident | 73.8 | Confident | 68 Ų | 68 | 92.5 Ų | 92.5 | 36% | 0.356 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 127.3 | 172.9 | -61.6 | -178.5 | 0 | 0 | 0 | 110 | L258 I259 A260 I295 H297 | L246-L258 HydrophobicContact CB-CD1 4.18Å; L246-L258 HydrophobicContact CD2-CD1 4.42Å; L246-I259 CarbonylContact C-O 3.55Å; L246-I259 WeakPolarHBondContact CA-O 3.44Å; L246-A260 HydrophobicContact CD2-CB 3.58Å; L246-I295 HydrophobicContact CD2-CD1 4.28Å; L246-H297 HydrophobicContact CD1-CB 4.07Å |
| 247 | L | 87.2 | Confident | 76.4 | Confident | 86 Ų | 86 | 91.8 Ų | 91.8 | 45% | 0.45 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 153 | 176.2 | -59.2 | 175.2 | 0 | 0 | 0 | 109.2 | I259 | L247-I259 HydrophobicContact CB-CB 4.33Å; L247-I259 PolarHBondContact N-O 3.19Å; L247-I259 PolarHBondContact O-N 3.15Å |
| 248 | V | 87.7 | Confident | 78.7 | Confident | 50 Ų | 50 | 86.6 Ų | 86.6 | 30% | 0.303 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 127.3 | -177.7 | 178.7 | 0 | 0 | 0 | 0 | 109 | P250 P251 P255 L258 F299 | V248-P250 CarbonylContact O-C 3.5Å; V248-P251 WeakPolarHBondContact O-CA 3.47Å; V248-P255 HydrophobicContact CG1-CB 3.55Å; V248-L258 HydrophobicContact CG2-CD1 4.27Å; V248-F299 HydrophobicContact CG2-CE2 3.63Å; V248-F299 HydrophobicContact CG2-CZ 4.15Å |
| 249 | E | 83.2 | Confident | 81 | Confident | 108 Ų | 108 | 79.9 Ų | 79.9 | 51% | 0.505 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 135.3 | 174.8 | -64.7 | -162.2 | 149.3 | 0 | 0 | 110.9 | E256 Y257 I259 | E249-E256 PolarHBondContact O-N 3.25Å; E249-Y257 PolarHBondContact N-O 2.98Å; E249-Y257 PolarHBondContact O-N 3.48Å; E249-I259 HydrophobicContact CG-CD1 3.91Å |
| 250 | P | 84.5 | Confident | 82.6 | Confident | 47 Ų | 47 | 73.5 Ų | 73.5 | 31% | 0.305 | 41% | 0.411 | S | S | . | . | S | Bend | cis | -65.1 | 147.5 | -13.5 | 29.9 | -35.6 | 0 | 0 | 0 | 111.9 | V248 T252 H254 | V248-P250 CarbonylContact O-C 3.5Å; P250-T252 PolarHBondContact O-N 3.05Å; P250-T252 VanDerWaalsContact O-N 3.13Å; P250-H254 WeakPolarHBondContact CD-O 3.47Å; P250-H254 WeakPolarHBondContact CG-O 3.48Å |
| 251 | P | 75.5 | Confident | 83.8 | Confident | 115 Ų | 115 | 73 Ų | 73 | 75% | 0.747 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -71.4 | -6.2 | -177.5 | 29.6 | -37 | 0 | 0 | 0 | 114 | V248 | V248-P251 WeakPolarHBondContact O-CA 3.47Š|
| 252 | T | 72.9 | Confident | 84.7 | Confident | 122 Ų | 122 | 67 Ų | 67 | 75% | 0.748 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -141.6 | 126.6 | 174.4 | 50.6 | 0 | 0 | 0 | 0 | 110.2 | P250 | P250-T252 PolarHBondContact O-N 3.05Å; P250-T252 VanDerWaalsContact O-N 3.13Å |
| 253 | G | 79.3 | Confident | 85 | Confident | 72 Ų | 72 | 70.5 Ų | 70.5 | 74% | 0.742 | 39% | 0.387 | S | S | * | . | S | Bend | trans | 120.7 | -143.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 254 | H | 78.9 | Confident | 85 | Confident | 166 Ų | 166 | 64.6 Ų | 64.6 | 77% | 0.769 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -86.2 | 135.7 | 169.6 | -62.2 | -81.3 | 0 | 0 | 0 | 109 | P250 E256 | P250-H254 WeakPolarHBondContact CD-O 3.47Å; P250-H254 WeakPolarHBondContact CG-O 3.48Å; H254-E256 PolarHBondContact O-N 3.28Å |
| 255 | P | 84.4 | Confident | 84.8 | Confident | 43 Ų | 43 | 66.1 Ų | 66.1 | 28% | 0.279 | 37% | 0.369 | S | S | . | . | trans | -71.4 | 128.2 | 176.7 | 31 | -35.1 | 0 | 0 | 0 | 109.9 | V248 F299 V323 | V248-P255 HydrophobicContact CG1-CB 3.55Å; P255-F299 HydrophobicContact CB-CE1 4.17Å; P255-F299 HydrophobicContact CB-CZ 4.34Å; P255-F299 HydrophobicContact CG-CD1 4.03Å; P255-F299 HydrophobicContact CG-CE1 3.69Å; P255-F299 HydrophobicContact CG-CZ 4.31Å; P255-V323 HydrophobicContact CB-CG2 4.32Å; P255-V323 HydrophobicContact CG-CG1 4.36Å | ||
| 256 | E | 87.8 | Confident | 84.2 | Confident | 117 Ų | 117 | 66.6 Ų | 66.6 | 55% | 0.547 | 38% | 0.38 | S | S | . | . | trans | -104.1 | -31.6 | 176.7 | -66.1 | 178.8 | -175.1 | 0 | 0 | 110.9 | E249 H254 V323 | E249-E256 PolarHBondContact O-N 3.25Å; H254-E256 PolarHBondContact O-N 3.28Å; E256-V323 PolarHBondContact O-N 3.22Å | ||
| 257 | Y | 86.9 | Confident | 83.7 | Confident | 101 Ų | 101 | 63.6 Ų | 63.6 | 40% | 0.396 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 137.7 | -180 | -57.3 | -83.6 | 0 | 0 | 0 | 111.7 | E249 T320 M321 P322 | E249-Y257 PolarHBondContact N-O 2.98Å; E249-Y257 PolarHBondContact O-N 3.48Å; Y257-T320 HydrophobicContact CD1-CG2 3.97Å; Y257-T320 HydrophobicContact CG-CG2 4.46Å; Y257-M321 WeakPolarHBondContact CA-O 3.43Å; Y257-P322 HydrophobicContact CD1-CB 4.19Å; Y257-P322 HydrophobicContact CD1-CG 4.28Å; Y257-P322 HydrophobicContact CE1-CB 4.11Å; Y257-P322 HydrophobicContact CE1-CG 4.12Å |
| 258 | L | 86.5 | Confident | 82.9 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 126.6 | 162.7 | 178.3 | 66.2 | 0 | 0 | 0 | 108 | L246 V248 H297 F299 V301 M321 V323 | L246-L258 HydrophobicContact CB-CD1 4.18Å; L246-L258 HydrophobicContact CD2-CD1 4.42Å; V248-L258 HydrophobicContact CG2-CD1 4.27Å; L258-H297 HydrophobicContact CD2-CB 3.59Å; L258-F299 HydrophobicContact CB-CD2 4.5Å; L258-F299 HydrophobicContact CD1-CD2 4.06Å; L258-F299 HydrophobicContact CD1-CE2 4.34Å; L258-F299 HydrophobicContact CD2-CD2 4.42Å; L258-V301 HydrophobicContact CB-CG1 4.38Å; L258-V301 HydrophobicContact CD2-CG1 4.21Å; L258-M321 HydrophobicContact CB-CE 4.31Å; L258-M321 HydrophobicContact CD2-CE 3.74Å; L258-M321 HydrophobicContact CG-CE 3.78Å; L258-M321 PolarHBondContact N-O 2.94Å; L258-M321 PolarHBondContact O-N 2.7Å; L258-V323 HydrophobicContact CB-CG2 4.29Å |
| 259 | I | 90.3 | Very high | 82.2 | Confident | 22 Ų | 22 | 62.3 Ų | 62.3 | 11% | 0.113 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 117.9 | 179.5 | -56.7 | 178.1 | 0 | 0 | 0 | 108.6 | L246 L247 E249 E261 T318 V319 T320 | L246-I259 CarbonylContact C-O 3.55Å; L246-I259 WeakPolarHBondContact CA-O 3.44Å; L247-I259 HydrophobicContact CB-CB 4.33Å; L247-I259 PolarHBondContact N-O 3.19Å; L247-I259 PolarHBondContact O-N 3.15Å; E249-I259 HydrophobicContact CG-CD1 3.91Å; I259-E261 HydrophobicContact CG2-CG 4.5Å; I259-T318 HydrophobicContact CG2-CG2 3.7Å; I259-V319 CarbonylContact C-O 3.58Å; I259-V319 VanDerWaalsContact CA-O 3.31Å; I259-V319 WeakPolarHBondContact CA-O 3.27Å; I259-T320 HydrophobicContact CG1-CG2 4.3Å |
| 260 | A | 87.6 | Confident | 81.9 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 116.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | L246 L282 T318 V319 M321 | L246-A260 HydrophobicContact CD2-CB 3.58Å; A260-L282 HydrophobicContact CB-CD2 3.6Å; A260-T318 CarbonylContact O-C 3.55Å; A260-T318 WeakPolarHBondContact O-CA 3.2Å; A260-V319 HydrophobicContact CB-CB 4.32Å; A260-V319 PolarHBondContact N-O 3.46Å; A260-V319 PolarHBondContact O-N 2.99Å; A260-M321 HydrophobicContact CB-CE 3.95Å |
| 261 | E | 88.9 | Confident | 81.4 | Confident | 72 Ų | 72 | 66 Ų | 66 | 34% | 0.336 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 121.6 | 167.1 | -64.9 | -160.8 | 127.7 | 0 | 0 | 109.5 | C244 S245 I259 I316 T318 | C244-E261 CarbonylContact C-O 3.59Å; C244-E261 WeakPolarHBondContact CA-O 3.43Å; S245-E261 PolarHBondContact N-O 2.68Å; S245-E261 PolarHBondContact O-N 3.48Å; I259-E261 HydrophobicContact CG2-CG 4.5Å; E261-I316 HydrophobicContact CB-CG2 4.39Å; E261-T318 HydrophobicContact CG-CG2 4.35Å |
| 262 | I | 90.9 | Very high | 81.3 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 117.8 | -174.8 | -51.5 | 166.2 | 0 | 0 | 0 | 108.7 | P242 C244 L264 L282 L284 L293 I316 L317 | P242-I262 HydrophobicContact CB-CG2 3.72Å; P242-I262 HydrophobicContact CG-CG2 3.63Å; C244-I262 HydrophobicContact CB-CG1 4.25Å; I262-L264 HydrophobicContact CG2-CD2 3.93Å; I262-L264 HydrophobicContact CG2-CG 4.12Å; I262-L282 HydrophobicContact CD1-CD2 4.24Å; I262-L284 HydrophobicContact CD1-CD2 4.07Å; I262-L284 HydrophobicContact CG2-CD2 3.86Å; I262-L293 HydrophobicContact CD1-CD2 3.64Å; I262-L293 HydrophobicContact CG1-CD2 4.03Å; I262-L293 HydrophobicContact CG2-CD2 4.27Å; I262-I316 WeakPolarHBondContact O-CA 3.15Å; I262-L317 HydrophobicContact CB-CB 4.41Å; I262-L317 HydrophobicContact CD1-CD2 4.29Å; I262-L317 PolarHBondContact N-O 3.15Å; I262-L317 PolarHBondContact O-N 3.16Å |
| 263 | K | 87.1 | Confident | 81.7 | Confident | 81 Ų | 81 | 57.5 Ų | 57.5 | 35% | 0.352 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 124.3 | 179.8 | -52.5 | -174.9 | -158.2 | 164.8 | 0 | 110.3 | P242 E243 P265 I316 | P242-K263 WeakPolarHBondContact CB-O 3.49Å; E243-K263 HydrophobicContact CB-CB 4.34Å; E243-K263 HydrophobicContact CB-CD 4.3Å; E243-K263 HydrophobicContact CB-CG 4.44Å; E243-K263 PolarHBondContact O-N 2.87Å; E243-K263 WeakPolarHBondContact OE1-CE 3.31Å; E243-K263 IonicContact OE1-NZ 3.7Å; E243-K263 PolarHBondContact OE1-NZ 3.17Å; E243-K263 WeakPolarHBondContact OE2-CD 3.46Å; E243-K263 WeakPolarHBondContact OE2-CE 3.27Å; E243-K263 IonicContact OE2-NZ 3.68Å; E243-K263 PolarHBondContact OE2-NZ 2.88Å; K263-P265 VanDerWaalsContact C-CD 3.42Å; K263-P265 WeakPolarHBondContact O-CD 3.37Å; K263-I316 HydrophobicContact CG-CG1 4.35Å |
| 264 | L | 86.1 | Confident | 82 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -128.2 | 58.2 | -172.1 | -59.8 | 166.8 | 0 | 0 | 0 | 110.9 | P242 I262 V267 L273 L284 Y291 Y310 Q315 L317 | P242-L264 HydrophobicContact CB-CD2 3.83Å; P242-L264 HydrophobicContact CG-CD2 4.23Å; I262-L264 HydrophobicContact CG2-CD2 3.93Å; I262-L264 HydrophobicContact CG2-CG 4.12Å; L264-V267 HydrophobicContact CB-CB 4.25Å; L264-V267 HydrophobicContact CB-CG2 3.95Å; L264-V267 WeakPolarHBondContact O-CB 3.4Å; L264-V267 PolarHBondContact O-N 3.14Å; L264-V267 VanDerWaalsContact O-N 3.14Å; L264-L273 HydrophobicContact CD1-CD1 3.78Å; L264-L273 HydrophobicContact CD1-CD2 3.92Å; L264-L284 HydrophobicContact CD1-CD2 3.82Å; L264-L284 HydrophobicContact CD2-CD2 3.73Å; L264-L284 HydrophobicContact CG-CD2 4.33Å; L264-Y291 HydrophobicContact CB-CD2 4.42Å; L264-Y291 HydrophobicContact CD2-CD2 3.74Å; L264-Y291 HydrophobicContact CD2-CE2 4.49Å; L264-Y291 HydrophobicContact CD2-CG 3.8Å; L264-Y310 HydrophobicContact CB-CE2 4.44Å; L264-Y310 HydrophobicContact CD1-CE2 4.2Å; L264-Q315 CarbonylContact C-O 3.58Å; L264-Q315 WeakPolarHBondContact CA-O 3.23Å; L264-Q315 PolarHBondContact N-O 2.89Å; L264-L317 HydrophobicContact CD1-CB 3.74Å; L264-L317 HydrophobicContact CD1-CD2 4.36Å | ||
| 265 | P | 81.1 | Confident | 82.4 | Confident | 73 Ų | 73 | 51.4 Ų | 51.4 | 47% | 0.474 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 142.8 | -175.6 | 25.4 | -31.9 | 0 | 0 | 0 | 111.4 | K263 V267 Y291 | K263-P265 VanDerWaalsContact C-CD 3.42Å; K263-P265 WeakPolarHBondContact O-CD 3.37Å; P265-V267 VanDerWaalsContact C-N 3.29Å; P265-V267 PolarHBondContact O-N 2.89Å; P265-Y291 WeakPolarHBondContact CD-OH 3.42Å; P265-Y291 WeakPolarHBondContact CG-OH 3.36Å; P265-Y291 WeakPolarHBondContact O-CE2 3.38Å; P265-Y291 PolarHBondContact O-OH 3.18Å |
| 266 | G | 74.2 | Confident | 82.4 | Confident | 54 Ų | 54 | 54.2 Ų | 54.2 | 56% | 0.557 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | -17.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | S268 Q315 | G266-S268 PolarHBondContact O-N 2.96Å; G266-Q315 VanDerWaalsContact N-NE2 3.16Å |
| 267 | V | 77.6 | Confident | 82.3 | Confident | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.03 | 28% | 0.278 | C | S | . | . | trans | -70.7 | 128.2 | 170.9 | 176 | 0 | 0 | 0 | 0 | 110.2 | L264 P265 S269 L273 A286 L290 Y291 Y310 Q315 | L264-V267 HydrophobicContact CB-CB 4.25Å; L264-V267 HydrophobicContact CB-CG2 3.95Å; L264-V267 WeakPolarHBondContact O-CB 3.4Å; L264-V267 PolarHBondContact O-N 3.14Å; L264-V267 VanDerWaalsContact O-N 3.14Å; P265-V267 VanDerWaalsContact C-N 3.29Å; P265-V267 PolarHBondContact O-N 2.89Å; V267-S269 WeakPolarHBondContact CG1-O 3.46Å; V267-L273 HydrophobicContact CG1-CD2 4.06Å; V267-L273 HydrophobicContact CG1-CG 4.32Å; V267-L273 HydrophobicContact CG2-CD2 4.34Å; V267-A286 HydrophobicContact CG2-CB 4.29Å; V267-L290 HydrophobicContact CG2-CD1 4.44Å; V267-Y291 HydrophobicContact CG2-CD2 4.38Å; V267-Y310 WeakPolarHBondContact CB-OH 3.43Å; V267-Y310 HydrophobicContact CG1-CE1 4.23Å; V267-Y310 WeakPolarHBondContact CG1-OH 3.37Å; V267-Y310 PolarHBondContact O-OH 3.49Å; V267-Q315 PolarHBondContact O-NE2 2.93Å | ||
| 268 | S | 69.8 | Low | 81.7 | Confident | 90 Ų | 90 | 46.4 Ų | 46.4 | 63% | 0.629 | 27% | 0.27 | S | S | * | . | trans | -106.4 | -11.6 | -175.3 | 61.5 | 0 | 0 | 0 | 0 | 114.2 | G266 K312 | G266-S268 PolarHBondContact O-N 2.96Å; S268-K312 PolarHBondContact O-NZ 2.57Å | ||
| 269 | S | 73.4 | Confident | 81.3 | Confident | 20 Ų | 20 | 52 Ų | 52 | 14% | 0.14 | 30% | 0.296 | C | S | . | . | trans | -148.1 | 150.2 | -176.9 | -158.3 | 0 | 0 | 0 | 0 | 111.2 | V267 R271 S272 K312 | V267-S269 WeakPolarHBondContact CG1-O 3.46Å; S269-R271 PolarHBondContact O-N 3.39Å; S269-S272 PolarHBondContact O-OG 2.95Å; S269-K312 PolarHBondContact OG-NZ 2.78Å | ||
| 270 | S | 75.9 | Confident | 80.9 | Confident | 62 Ų | 62 | 54.5 Ų | 54.5 | 43% | 0.434 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -72.7 | -18 | 170.4 | 47.8 | 0 | 0 | 0 | 0 | 112.6 | S272 L273 | S270-S272 PolarHBondContact O-N 2.66Å; S270-L273 WeakPolarHBondContact O-CB 3.37Å; S270-L273 PolarHBondContact O-N 2.91Å |
| 271 | R | 74.2 | Confident | 80.7 | Confident | 171 Ų | 171 | 59.3 Ų | 59.3 | 65% | 0.645 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -71 | -14.1 | -178.6 | -61.2 | -165 | -167.2 | 159.2 | 21.2 | 114.7 | E186 S269 | E186-R271 IonicContact OE1-CZ 3.79Å; E186-R271 IonicContact OE1-NE 2.71Å; E186-R271 IonicContact OE1-NH1 3.01Å; E186-R271 PolarHBondContact OE1-NH1 2.92Å; E186-R271 IonicContact OE1-NH2 3.73Å; E186-R271 PolarHBondContact OE1-NH2 2.95Å; E186-R271 IonicContact OE2-CZ 3.04Å; E186-R271 IonicContact OE2-NH1 3.05Å; E186-R271 PolarHBondContact OE2-NH1 3.13Å; E186-R271 IonicContact OE2-NH2 2.98Å; E186-R271 PolarHBondContact OE2-NH2 2.74Å; S269-R271 PolarHBondContact O-N 3.39Å |
| 272 | S | 72.9 | Confident | 80.4 | Confident | 31 Ų | 31 | 55.9 Ų | 55.9 | 22% | 0.217 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -87.5 | -5.3 | 171.1 | 34.3 | 0 | 0 | 0 | 0 | 113 | S269 S270 A286 R287 | S269-S272 PolarHBondContact O-OG 2.95Å; S270-S272 PolarHBondContact O-N 2.66Å; S272-A286 CarbonylContact O-C 3.6Å; S272-A286 WeakPolarHBondContact O-CA 3.29Å; S272-R287 WeakPolarHBondContact CB-O 3.38Å; S272-R287 PolarHBondContact O-N 3.49Å |
| 273 | L | 82.2 | Confident | 80.2 | Confident | 27 Ų | 27 | 57 Ų | 57 | 14% | 0.141 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 128.5 | -179.7 | -55.9 | -178.5 | 0 | 0 | 0 | 110.3 | L264 V267 S270 L284 A286 Y310 L317 | L264-L273 HydrophobicContact CD1-CD1 3.78Å; L264-L273 HydrophobicContact CD1-CD2 3.92Å; V267-L273 HydrophobicContact CG1-CD2 4.06Å; V267-L273 HydrophobicContact CG1-CG 4.32Å; V267-L273 HydrophobicContact CG2-CD2 4.34Å; S270-L273 WeakPolarHBondContact O-CB 3.37Å; S270-L273 PolarHBondContact O-N 2.91Å; L273-L284 HydrophobicContact CB-CD1 4.21Å; L273-L284 HydrophobicContact CD2-CD1 4.46Å; L273-A286 HydrophobicContact CD2-CB 3.58Å; L273-Y310 HydrophobicContact CD1-CD2 3.77Å; L273-Y310 HydrophobicContact CD1-CE2 4.12Å; L273-Y310 HydrophobicContact CD1-CG 4.06Å; L273-L317 HydrophobicContact CD1-CD1 4.48Å; L273-L317 HydrophobicContact CD1-CD2 4.42Å |
| 274 | V | 84.8 | Confident | 80.1 | Confident | 65 Ų | 65 | 53.1 Ų | 53.1 | 39% | 0.394 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 122.5 | 166 | -177.1 | 0 | 0 | 0 | 0 | 106.6 | L284 T285 | V274-L284 WeakPolarHBondContact O-CA 3.47Å; V274-L284 WeakPolarHBondContact O-CD1 3.4Å; V274-T285 PolarHBondContact N-O 2.85Å; V274-T285 PolarHBondContact O-N 2.79Å |
| 275 | L | 88.6 | Confident | 80 | Confident | 45 Ų | 45 | 54.6 Ų | 54.6 | 24% | 0.236 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 120.4 | -177.4 | 178.8 | 78.7 | 0 | 0 | 0 | 108.6 | V277 L282 V283 L284 A308 L317 V319 | L275-V277 HydrophobicContact CD2-CG2 4.32Å; L275-V277 HydrophobicContact CG-CG2 4.39Å; L275-L282 HydrophobicContact CD1-CD1 3.88Å; L275-L282 HydrophobicContact CD1-CG 4.35Å; L275-V283 WeakPolarHBondContact CA-O 3.31Å; L275-L284 HydrophobicContact CB-CD1 4.1Å; L275-L284 HydrophobicContact CD1-CB 4.02Å; L275-L284 HydrophobicContact CD1-CD1 3.94Å; L275-A308 HydrophobicContact CD2-CB 3.66Å; L275-L317 HydrophobicContact CD1-CD2 4.25Å; L275-V319 HydrophobicContact CD1-CG2 4.23Å; L275-V319 HydrophobicContact CD2-CG1 3.99Å; L275-V319 HydrophobicContact CD2-CG2 3.69Å |
| 276 | D | 83.1 | Confident | 79.7 | Confident | 101 Ų | 101 | 51.2 Ų | 51.2 | 54% | 0.54 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 125.4 | 173.4 | -60.6 | -61.2 | 0 | 0 | 0 | 108.9 | V283 | D276-V283 HydrophobicContact CB-CB 4.39Å; D276-V283 PolarHBondContact N-O 3.09Å; D276-V283 PolarHBondContact O-N 3.18Å |
| 277 | V | 85.3 | Confident | 79.4 | Confident | 33 Ų | 33 | 54 Ų | 54 | 20% | 0.2 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 119.4 | 176.1 | -173.9 | 0 | 0 | 0 | 0 | 107.3 | L275 L282 V301 Q303 V319 M321 | L275-V277 HydrophobicContact CD2-CG2 4.32Å; L275-V277 HydrophobicContact CG-CG2 4.39Å; V277-L282 HydrophobicContact CB-CD1 4.41Å; V277-L282 HydrophobicContact CG1-CD1 4.48Å; V277-L282 HydrophobicContact CG2-CD1 3.78Å; V277-V301 HydrophobicContact CG1-CG2 3.93Å; V277-Q303 HydrophobicContact CG1-CG 4.43Å; V277-Q303 WeakPolarHBondContact O-CG 2.92Å; V277-Q303 PolarHBondContact O-OE1 3.15Å; V277-V319 HydrophobicContact CG2-CG1 4.41Å; V277-M321 HydrophobicContact CG1-CG 4.23Å; V277-M321 HydrophobicContact CG1-SD 3.89Å |
| 278 | G | 74.8 | Confident | 78.2 | Confident | 22 Ų | 22 | 57.4 Ų | 57.4 | 23% | 0.227 | 31% | 0.305 | C | S | . | . | trans | -101.3 | -172.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R281 V301 | G278-R281 WeakPolarHBondContact CA-O 3.44Å; G278-R281 PolarHBondContact N-O 2.94Å; G278-V301 VanDerWaalsContact O-CG2 3.29Å; G278-V301 WeakPolarHBondContact O-CG2 3.38Å | ||
| 279 | E | 79.1 | Confident | 77.5 | Confident | 119 Ų | 119 | 55.5 Ų | 55.5 | 56% | 0.556 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -65.7 | -45.3 | 178 | -62.4 | -176.1 | -178.4 | 0 | 0 | 112 | H297 L300 V301 | E279-H297 PolarHBondContact O-CE1 2.83Å; E279-L300 HydrophobicContact CB-CD2 4.1Å; E279-L300 CarbonylContact O-C 3.53Å; E279-L300 VanDerWaalsContact O-CA 3.25Å; E279-L300 WeakPolarHBondContact O-CA 3.35Å; E279-V301 PolarHBondContact O-N 2.73Å |
| 280 | D | 81.3 | Confident | 77 | Confident | 73 Ų | 73 | 58.5 Ų | 58.5 | 39% | 0.39 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -125.3 | 10.2 | -175.5 | 71.3 | -27.2 | 0 | 0 | 0 | 113.6 | F296 H297 L300 | D280-F296 CarbonylContact O-C 3.48Å; D280-F296 VanDerWaalsContact O-CA 3.22Å; D280-F296 WeakPolarHBondContact O-CA 3.27Å; D280-H297 PolarHBondContact O-N 3.38Å; D280-L300 HydrophobicContact CB-CD2 4.34Å |
| 281 | R | 82.9 | Confident | 76.9 | Confident | 101 Ų | 101 | 57.4 Ų | 57.4 | 38% | 0.381 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 136.4 | -168.6 | -172.4 | -175.7 | 179 | -156 | 1.8 | 112.1 | G278 V283 D294 I295 F296 H297 | G278-R281 WeakPolarHBondContact CA-O 3.44Å; G278-R281 PolarHBondContact N-O 2.94Å; R281-V283 HydrophobicContact CG-CG2 4.18Å; R281-D294 IonicContact CZ-OD1 3.74Å; R281-D294 IonicContact CZ-OD2 3.81Å; R281-D294 IonicContact NE-OD1 3.98Å; R281-D294 PolarHBondContact NE-OD1 2.86Å; R281-D294 IonicContact NE-OD2 2.63Å; R281-D294 IonicContact NH2-OD1 3.33Å; R281-D294 PolarHBondContact NH2-OD1 2.87Å; R281-D294 VanDerWaalsContact NH2-OD1 3.15Å; R281-D294 IonicContact NH2-OD2 3.04Å; R281-D294 PolarHBondContact NH2-OD2 2.85Å; R281-I295 CarbonylContact C-O 3.58Å; R281-I295 WeakPolarHBondContact CA-O 3.38Å; R281-F296 HydrophobicContact CB-CD1 3.98Å; R281-F296 HydrophobicContact CB-CE1 4Å; R281-F296 HydrophobicContact CG-CD1 4.2Å; R281-F296 HydrophobicContact CG-CE1 4.02Å; R281-F296 HydrophobicContact CG-CZ 4.23Å; R281-H297 PolarHBondContact N-CE1 2.87Å; R281-H297 PolarHBondContact N-NE2 3.07Å |
| 282 | L | 83.1 | Confident | 77.3 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 121.3 | 177.5 | -171.5 | 67.3 | 0 | 0 | 0 | 109.8 | A260 I262 L275 V277 I295 M321 | A260-L282 HydrophobicContact CB-CD2 3.6Å; I262-L282 HydrophobicContact CD1-CD2 4.24Å; L275-L282 HydrophobicContact CD1-CD1 3.88Å; L275-L282 HydrophobicContact CD1-CG 4.35Å; V277-L282 HydrophobicContact CB-CD1 4.41Å; V277-L282 HydrophobicContact CG1-CD1 4.48Å; V277-L282 HydrophobicContact CG2-CD1 3.78Å; L282-I295 HydrophobicContact CB-CG1 4.07Å; L282-I295 PolarHBondContact N-O 2.88Å; L282-I295 PolarHBondContact O-N 2.91Å; L282-I295 VanDerWaalsContact O-N 3.07Å; L282-M321 HydrophobicContact CD1-SD 3.97Å; L282-M321 HydrophobicContact CD2-CE 4.23Å |
| 283 | V | 85.8 | Confident | 77.7 | Confident | 23 Ų | 23 | 50.2 Ų | 50.2 | 14% | 0.139 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 130.6 | 179.2 | -171.4 | 0 | 0 | 0 | 0 | 110.1 | L275 D276 R281 L293 | L275-V283 WeakPolarHBondContact CA-O 3.31Å; D276-V283 HydrophobicContact CB-CB 4.39Å; D276-V283 PolarHBondContact N-O 3.09Å; D276-V283 PolarHBondContact O-N 3.18Å; R281-V283 HydrophobicContact CG-CG2 4.18Å; V283-L293 CarbonylContact C-O 3.59Å; V283-L293 VanDerWaalsContact CA-O 3.27Å; V283-L293 WeakPolarHBondContact CA-O 3.47Å |
| 284 | L | 86.3 | Confident | 77.9 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 132.9 | 175.8 | 176 | 77.5 | 0 | 0 | 0 | 110.3 | I262 L264 L273 V274 L275 H292 L293 L317 | I262-L284 HydrophobicContact CD1-CD2 4.07Å; I262-L284 HydrophobicContact CG2-CD2 3.86Å; L264-L284 HydrophobicContact CD1-CD2 3.82Å; L264-L284 HydrophobicContact CD2-CD2 3.73Å; L264-L284 HydrophobicContact CG-CD2 4.33Å; L273-L284 HydrophobicContact CB-CD1 4.21Å; L273-L284 HydrophobicContact CD2-CD1 4.46Å; V274-L284 WeakPolarHBondContact O-CA 3.47Å; V274-L284 WeakPolarHBondContact O-CD1 3.4Å; L275-L284 HydrophobicContact CB-CD1 4.1Å; L275-L284 HydrophobicContact CD1-CB 4.02Å; L275-L284 HydrophobicContact CD1-CD1 3.94Å; L284-H292 CarbonylContact O-C 3.56Å; L284-H292 WeakPolarHBondContact O-CA 3.39Å; L284-H292 PolarHBondContact O-ND1 2.83Å; L284-L293 HydrophobicContact CB-CB 4.15Å; L284-L293 PolarHBondContact N-O 2.85Å; L284-L293 PolarHBondContact O-N 3.11Å; L284-L317 HydrophobicContact CD1-CD2 3.63Å; L284-L317 HydrophobicContact CD2-CD2 4.03Å; L284-L317 HydrophobicContact CG-CD2 4.47Å |
| 285 | T | 83.3 | Confident | 77.6 | Confident | 32 Ų | 32 | 51.2 Ų | 51.2 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 126.1 | 173 | -64.8 | 0 | 0 | 0 | 0 | 110.4 | V274 R287 H292 | V274-T285 PolarHBondContact N-O 2.85Å; V274-T285 PolarHBondContact O-N 2.79Å; T285-R287 HydrophobicContact CG2-CG 4.29Å; T285-H292 PolarHBondContact OG1-ND1 3.07Å |
| 286 | A | 76.1 | Confident | 77 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 105.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V267 S272 L273 P288 S289 L290 Y291 | V267-A286 HydrophobicContact CG2-CB 4.29Å; S272-A286 CarbonylContact O-C 3.6Å; S272-A286 WeakPolarHBondContact O-CA 3.29Å; L273-A286 HydrophobicContact CD2-CB 3.58Å; A286-P288 CarbonylContact O-C 3.59Å; A286-S289 PolarHBondContact O-N 2.87Å; A286-L290 PolarHBondContact O-N 2.87Å; A286-Y291 HydrophobicContact CB-CD2 4.28Å; A286-Y291 PolarHBondContact N-O 3.37Å |
| 287 | R | 67.4 | Low | 76.8 | Confident | 114 Ų | 114 | 51 Ų | 51 | 43% | 0.43 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 139.9 | -175.8 | -67.8 | -174.6 | 174 | 175.6 | 0.3 | 112.9 | E121 S272 T285 | E121-R287 IonicContact OE1-NH2 2.78Å; E121-R287 PolarHBondContact OE1-NH2 3.4Å; E121-R287 IonicContact OE2-CZ 3.56Å; E121-R287 IonicContact OE2-NH2 2.61Å; E121-R287 PolarHBondContact OE2-NH2 3.34Å; S272-R287 WeakPolarHBondContact CB-O 3.38Å; S272-R287 PolarHBondContact O-N 3.49Å; T285-R287 HydrophobicContact CG2-CG 4.29Å |
| 288 | P | 51.1 | Low | 76.2 | Confident | 76 Ų | 76 | 54.8 Ų | 54.8 | 49% | 0.494 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -81 | 106.7 | -4.3 | 32.2 | -32.3 | 0 | 0 | 0 | 111.7 | A286 L290 | A286-P288 CarbonylContact O-C 3.59Å; P288-L290 VanDerWaalsContact C-N 3.31Å; P288-L290 PolarHBondContact O-N 3.47Å; P288-L290 VanDerWaalsContact O-N 3.09Å |
| 289 | S | 56.9 | Low | 76.4 | Confident | 49 Ų | 49 | 56.4 Ų | 56.4 | 34% | 0.343 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 33.9 | 157.3 | -35.3 | 0 | 0 | 0 | 0 | 116.6 | D122 A286 | D122-S289 VanDerWaalsContact CG-OG 3.23Å; D122-S289 VanDerWaalsContact OD1-CB 3.31Å; D122-S289 WeakPolarHBondContact OD1-CB 3.25Å; D122-S289 PolarHBondContact OD1-OG 2.81Å; A286-S289 PolarHBondContact O-N 2.87Å |
| 290 | L | 61.7 | Low | 76.5 | Confident | 84 Ų | 84 | 55.7 Ų | 55.7 | 44% | 0.44 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -36 | 178.4 | -72.9 | 179.1 | 0 | 0 | 0 | 113.2 | V267 A286 P288 | V267-L290 HydrophobicContact CG2-CD1 4.44Å; A286-L290 PolarHBondContact O-N 2.87Å; P288-L290 VanDerWaalsContact C-N 3.31Å; P288-L290 PolarHBondContact O-N 3.47Å; P288-L290 VanDerWaalsContact O-N 3.09Å |
| 291 | Y | 73.1 | Confident | 76.6 | Confident | 39 Ų | 39 | 52.6 Ų | 52.6 | 15% | 0.153 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 139.2 | -177.6 | -65.6 | -73.5 | 0 | 0 | 0 | 111.1 | V240 P242 L264 P265 V267 A286 | V240-Y291 HydrophobicContact CB-CD1 4.17Å; V240-Y291 HydrophobicContact CB-CE1 4.2Å; V240-Y291 HydrophobicContact CG1-CD1 4.01Å; V240-Y291 HydrophobicContact CG1-CE1 3.67Å; V240-Y291 WeakPolarHBondContact O-CA 3.42Å; V240-Y291 WeakPolarHBondContact O-CD1 3.48Å; P242-Y291 HydrophobicContact CB-CD1 3.64Å; P242-Y291 HydrophobicContact CB-CE1 4.25Å; P242-Y291 HydrophobicContact CB-CG 4.12Å; P242-Y291 HydrophobicContact CG-CD1 4.29Å; L264-Y291 HydrophobicContact CB-CD2 4.42Å; L264-Y291 HydrophobicContact CD2-CD2 3.74Å; L264-Y291 HydrophobicContact CD2-CE2 4.49Å; L264-Y291 HydrophobicContact CD2-CG 3.8Å; P265-Y291 WeakPolarHBondContact CD-OH 3.42Å; P265-Y291 WeakPolarHBondContact CG-OH 3.36Å; P265-Y291 WeakPolarHBondContact O-CE2 3.38Å; P265-Y291 PolarHBondContact O-OH 3.18Å; V267-Y291 HydrophobicContact CG2-CD2 4.38Å; A286-Y291 HydrophobicContact CB-CD2 4.28Å; A286-Y291 PolarHBondContact N-O 3.37Å |
| 292 | H | 82.8 | Confident | 76.6 | Confident | 48 Ų | 48 | 50.5 Ų | 50.5 | 22% | 0.222 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 135.1 | 162.5 | -174.9 | 54.6 | 0 | 0 | 0 | 109.1 | E239 V240 I241 P242 L284 T285 | E239-H292 HydrophobicContact CB-CB 4.17Å; E239-H292 HydrophobicContact CG-CB 4.37Å; E239-H292 IonicContact OE2-CD2 3.73Å; E239-H292 PolarHBondContact OE2-CD2 2.93Å; E239-H292 IonicContact OE2-CG 2.64Å; V240-H292 PolarHBondContact O-N 3.45Å; I241-H292 WeakPolarHBondContact CA-O 3.38Å; P242-H292 WeakPolarHBondContact CD-O 3.42Å; L284-H292 CarbonylContact O-C 3.56Å; L284-H292 WeakPolarHBondContact O-CA 3.39Å; L284-H292 PolarHBondContact O-ND1 2.83Å; T285-H292 PolarHBondContact OG1-ND1 3.07Å |
| 293 | L | 82.3 | Confident | 76.6 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 128 | 173.3 | -175.9 | 71.9 | 0 | 0 | 0 | 107.2 | I241 P242 C244 I262 V283 L284 I295 | I241-L293 HydrophobicContact CG2-CD1 3.93Å; P242-L293 HydrophobicContact CG-CB 3.83Å; P242-L293 HydrophobicContact CG-CD1 4.2Å; P242-L293 HydrophobicContact CG-CD2 4.43Å; P242-L293 HydrophobicContact CG-CG 4.38Å; C244-L293 HydrophobicContact CB-CD1 4.12Å; C244-L293 HydrophobicContact CB-CD2 4Å; I262-L293 HydrophobicContact CD1-CD2 3.64Å; I262-L293 HydrophobicContact CG1-CD2 4.03Å; I262-L293 HydrophobicContact CG2-CD2 4.27Å; V283-L293 CarbonylContact C-O 3.59Å; V283-L293 VanDerWaalsContact CA-O 3.27Å; V283-L293 WeakPolarHBondContact CA-O 3.47Å; L284-L293 HydrophobicContact CB-CB 4.15Å; L284-L293 PolarHBondContact N-O 2.85Å; L284-L293 PolarHBondContact O-N 3.11Å; L293-I295 HydrophobicContact CD1-CG2 3.68Å; L293-I295 HydrophobicContact CD2-CD1 4.06Å; L293-I295 HydrophobicContact CD2-CG1 4.31Å; L293-I295 HydrophobicContact CG-CD1 4.39Å; L293-I295 HydrophobicContact CG-CG1 4.24Å; L293-I295 HydrophobicContact CG-CG2 4.11Å |
| 294 | D | 85.8 | Confident | 76.2 | Confident | 71 Ų | 71 | 61.4 Ų | 61.4 | 38% | 0.38 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 106.1 | 170.6 | -179.5 | 12.8 | 0 | 0 | 0 | 107.1 | R281 | R281-D294 IonicContact CZ-OD1 3.74Å; R281-D294 IonicContact CZ-OD2 3.81Å; R281-D294 IonicContact NE-OD1 3.98Å; R281-D294 PolarHBondContact NE-OD1 2.86Å; R281-D294 IonicContact NE-OD2 2.63Å; R281-D294 IonicContact NH2-OD1 3.33Å; R281-D294 PolarHBondContact NH2-OD1 2.87Å; R281-D294 VanDerWaalsContact NH2-OD1 3.15Å; R281-D294 IonicContact NH2-OD2 3.04Å; R281-D294 PolarHBondContact NH2-OD2 2.85Å |
| 295 | I | 78.8 | Confident | 75.9 | Confident | 41 Ų | 41 | 66.3 Ų | 66.3 | 21% | 0.21 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 141.5 | -175.8 | 59.2 | 173 | 0 | 0 | 0 | 111.6 | L246 R281 L282 L293 | L246-I295 HydrophobicContact CD2-CD1 4.28Å; R281-I295 CarbonylContact C-O 3.58Å; R281-I295 WeakPolarHBondContact CA-O 3.38Å; L282-I295 HydrophobicContact CB-CG1 4.07Å; L282-I295 PolarHBondContact N-O 2.88Å; L282-I295 PolarHBondContact O-N 2.91Å; L282-I295 VanDerWaalsContact O-N 3.07Å; L293-I295 HydrophobicContact CD1-CG2 3.68Å; L293-I295 HydrophobicContact CD2-CD1 4.06Å; L293-I295 HydrophobicContact CD2-CG1 4.31Å; L293-I295 HydrophobicContact CG-CD1 4.39Å; L293-I295 HydrophobicContact CG-CG1 4.24Å; L293-I295 HydrophobicContact CG-CG2 4.11Å |
| 296 | F | 77 | Confident | 76 | Confident | 135 Ų | 135 | 66.1 Ų | 66.1 | 59% | 0.592 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 143.3 | 167 | -67.6 | -90.9 | 0 | 0 | 0 | 110.2 | D280 R281 | D280-F296 CarbonylContact O-C 3.48Å; D280-F296 VanDerWaalsContact O-CA 3.22Å; D280-F296 WeakPolarHBondContact O-CA 3.27Å; R281-F296 HydrophobicContact CB-CD1 3.98Å; R281-F296 HydrophobicContact CB-CE1 4Å; R281-F296 HydrophobicContact CG-CD1 4.2Å; R281-F296 HydrophobicContact CG-CE1 4.02Å; R281-F296 HydrophobicContact CG-CZ 4.23Å |
| 297 | H | 78.2 | Confident | 76.4 | Confident | 8 Ų | 8 | 69.7 Ų | 69.7 | 4% | 0.037 | 37% | 0.365 | C | S | . | . | trans | -122.2 | 147.4 | 177.8 | 45.4 | 76.5 | 0 | 0 | 0 | 112.2 | L246 L258 E279 D280 R281 F299 | L246-H297 HydrophobicContact CD1-CB 4.07Å; L258-H297 HydrophobicContact CD2-CB 3.59Å; E279-H297 PolarHBondContact O-CE1 2.83Å; D280-H297 PolarHBondContact O-N 3.38Å; R281-H297 PolarHBondContact N-CE1 2.87Å; R281-H297 PolarHBondContact N-NE2 3.07Å; H297-F299 PolarHBondContact ND1-O 3.09Å; H297-F299 PolarHBondContact O-N 2.54Å | ||
| 298 | P | 72.9 | Confident | 77.5 | Confident | 111 Ų | 111 | 66.8 Ų | 66.8 | 72% | 0.721 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -77.8 | 10 | -168.4 | 33.1 | -38.1 | 0 | 0 | 0 | 114.9 | ||
| 299 | F | 78.5 | Confident | 79.2 | Confident | 56 Ų | 56 | 69.8 Ų | 69.8 | 25% | 0.246 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -126.8 | 140.3 | -179.4 | -54.8 | -67.2 | 0 | 0 | 0 | 109.7 | V248 P255 L258 H297 V323 | V248-F299 HydrophobicContact CG2-CE2 3.63Å; V248-F299 HydrophobicContact CG2-CZ 4.15Å; P255-F299 HydrophobicContact CB-CE1 4.17Å; P255-F299 HydrophobicContact CB-CZ 4.34Å; P255-F299 HydrophobicContact CG-CD1 4.03Å; P255-F299 HydrophobicContact CG-CE1 3.69Å; P255-F299 HydrophobicContact CG-CZ 4.31Å; L258-F299 HydrophobicContact CB-CD2 4.5Å; L258-F299 HydrophobicContact CD1-CD2 4.06Å; L258-F299 HydrophobicContact CD1-CE2 4.34Å; L258-F299 HydrophobicContact CD2-CD2 4.42Å; H297-F299 PolarHBondContact ND1-O 3.09Å; H297-F299 PolarHBondContact O-N 2.54Å; F299-V323 HydrophobicContact CB-CG1 4.1Å; F299-V323 HydrophobicContact CB-CG2 4Å; F299-V323 HydrophobicContact CD1-CG1 4.43Å; F299-V323 HydrophobicContact CG-CG1 4.49Å; F299-V323 HydrophobicContact CG-CG2 4.2Å |
| 300 | L | 81.8 | Confident | 80.7 | Confident | 104 Ų | 104 | 69.1 Ų | 69.1 | 55% | 0.545 | 36% | 0.364 | S | S | . | . | trans | -75.6 | 126.8 | 166.3 | -61.1 | 172.7 | 0 | 0 | 0 | 108.2 | E279 D280 G324 | E279-L300 HydrophobicContact CB-CD2 4.1Å; E279-L300 CarbonylContact O-C 3.53Å; E279-L300 VanDerWaalsContact O-CA 3.25Å; E279-L300 WeakPolarHBondContact O-CA 3.35Å; D280-L300 HydrophobicContact CB-CD2 4.34Å; L300-G324 PolarHBondContact O-N 3.07Å | ||
| 301 | V | 82.4 | Confident | 81.6 | Confident | 9 Ų | 9 | 68.7 Ų | 68.7 | 6% | 0.055 | 36% | 0.362 | C | S | . | . | B | Isolated β-bridge | trans | -115.4 | 151.7 | -176.8 | -55.2 | 0 | 0 | 0 | 0 | 113.4 | L258 V277 G278 E279 Q303 M321 P322 | L258-V301 HydrophobicContact CB-CG1 4.38Å; L258-V301 HydrophobicContact CD2-CG1 4.21Å; V277-V301 HydrophobicContact CG1-CG2 3.93Å; G278-V301 VanDerWaalsContact O-CG2 3.29Å; G278-V301 WeakPolarHBondContact O-CG2 3.38Å; E279-V301 PolarHBondContact O-N 2.73Å; V301-Q303 PolarHBondContact O-N 3.32Å; V301-M321 HydrophobicContact CB-CB 3.9Å; V301-M321 HydrophobicContact CG1-CB 3.87Å; V301-M321 HydrophobicContact CG2-CB 4.13Å; V301-M321 HydrophobicContact CG2-SD 4.4Å; V301-P322 CarbonylContact C-O 3.56Å; V301-P322 VanDerWaalsContact CA-O 3.27Å; V301-P322 WeakPolarHBondContact CA-O 3.36Å; V301-P322 WeakPolarHBondContact CB-O 3.44Å |
| 302 | D | 82.8 | Confident | 81.8 | Confident | 57 Ų | 57 | 72.5 Ų | 72.5 | 31% | 0.305 | 38% | 0.379 | S | S | . | . | trans | -78.1 | 103 | 172.6 | -173.2 | -32.6 | 0 | 0 | 0 | 109.9 | D304 N305 S306 P322 | D302-D304 PolarHBondContact OD1-N 3.29Å; D302-D304 VanDerWaalsContact OD1-N 3.1Å; D302-N305 HydrophobicContact CB-CB 4.4Å; D302-N305 VanDerWaalsContact CG-ND2 3.3Å; D302-N305 PolarHBondContact OD1-N 3.47Å; D302-N305 PolarHBondContact OD1-ND2 2.73Å; D302-N305 PolarHBondContact OD2-ND2 3.16Å; D302-S306 WeakPolarHBondContact O-CB 3.31Å; D302-S306 PolarHBondContact O-N 2.96Å; D302-S306 PolarHBondContact O-OG 2.79Å; D302-P322 HydrophobicContact CB-CB 4.18Å; D302-P322 HydrophobicContact CB-CG 4.46Å; D302-P322 PolarHBondContact N-O 3.33Å | ||
| 303 | Q | 83.6 | Confident | 81.5 | Confident | 91 Ų | 91 | 75.4 Ų | 75.4 | 43% | 0.425 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -65.1 | -39.6 | -179.6 | -65.5 | 165.1 | 71.1 | 0 | 0 | 112.1 | V277 V301 N305 S306 | V277-Q303 HydrophobicContact CG1-CG 4.43Å; V277-Q303 WeakPolarHBondContact O-CG 2.92Å; V277-Q303 PolarHBondContact O-OE1 3.15Å; V301-Q303 PolarHBondContact O-N 3.32Å; Q303-N305 PolarHBondContact O-N 3.33Å; Q303-S306 PolarHBondContact O-N 2.88Å |
| 304 | D | 77.6 | Confident | 81.4 | Confident | 160 Ų | 160 | 78.9 Ų | 78.9 | 86% | 0.856 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -31.7 | -176.2 | -76.8 | -35.7 | 0 | 0 | 0 | 112.2 | D302 | D302-D304 PolarHBondContact OD1-N 3.29Å; D302-D304 VanDerWaalsContact OD1-N 3.1Å |
| 305 | N | 80.8 | Confident | 81.3 | Confident | 104 Ų | 104 | 78.2 Ų | 78.2 | 56% | 0.556 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 7.4 | 178.5 | -66.6 | -73.7 | 0 | 0 | 0 | 114.1 | D302 Q303 P322 | D302-N305 HydrophobicContact CB-CB 4.4Å; D302-N305 VanDerWaalsContact CG-ND2 3.3Å; D302-N305 PolarHBondContact OD1-N 3.47Å; D302-N305 PolarHBondContact OD1-ND2 2.73Å; D302-N305 PolarHBondContact OD2-ND2 3.16Å; Q303-N305 PolarHBondContact O-N 3.33Å; N305-P322 HydrophobicContact CB-CG 3.98Å; N305-P322 WeakPolarHBondContact O-CG 3.4Å |
| 306 | S | 84.4 | Confident | 81.6 | Confident | 27 Ų | 27 | 78.2 Ų | 78.2 | 19% | 0.189 | 42% | 0.421 | C | S | . | . | trans | -75.4 | 142.3 | 176 | -74.4 | 0 | 0 | 0 | 0 | 112.8 | D302 Q303 T320 M321 | D302-S306 WeakPolarHBondContact O-CB 3.31Å; D302-S306 PolarHBondContact O-N 2.96Å; D302-S306 PolarHBondContact O-OG 2.79Å; Q303-S306 PolarHBondContact O-N 2.88Å; S306-T320 WeakPolarHBondContact CA-O 3.4Å; S306-M321 WeakPolarHBondContact OG-CA 3.22Å | ||
| 307 | V | 85.3 | Confident | 82.1 | Confident | 76 Ų | 76 | 72.2 Ų | 72.2 | 46% | 0.461 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 127.2 | -174.6 | -179.4 | 0 | 0 | 0 | 0 | 111.4 | Q309 T320 | V307-Q309 HydrophobicContact CG1-CG 4.4Å; V307-T320 PolarHBondContact N-O 3.49Å; V307-T320 PolarHBondContact O-N 3.28Å |
| 308 | A | 89.7 | Confident | 82.7 | Confident | 54 Ų | 54 | 73.7 Ų | 73.7 | 45% | 0.446 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 136.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L275 L317 T318 V319 | L275-A308 HydrophobicContact CD2-CB 3.66Å; A308-L317 HydrophobicContact CB-CD1 4.32Å; A308-T318 CarbonylContact C-O 3.18Å; A308-T318 WeakPolarHBondContact CA-O 3.49Å; A308-V319 HydrophobicContact CB-CG1 4.37Å; A308-V319 HydrophobicContact CB-CG2 4.35Å |
| 309 | Q | 86.3 | Confident | 83.5 | Confident | 138 Ų | 138 | 68.4 Ų | 68.4 | 65% | 0.645 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 125.1 | 177.5 | -59.2 | -170.9 | 21.7 | 0 | 0 | 110.6 | V307 T318 | V307-Q309 HydrophobicContact CG1-CG 4.4Å; Q309-T318 PolarHBondContact N-O 2.73Å; Q309-T318 PolarHBondContact O-N 3.06Å |
| 310 | Y | 88.6 | Confident | 84 | Confident | 36 Ų | 36 | 67.9 Ų | 67.9 | 14% | 0.141 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 118.4 | 178.2 | -177.3 | -109.2 | 0 | 0 | 0 | 111.8 | L264 V267 L273 K312 Q315 I316 L317 | L264-Y310 HydrophobicContact CB-CE2 4.44Å; L264-Y310 HydrophobicContact CD1-CE2 4.2Å; V267-Y310 WeakPolarHBondContact CB-OH 3.43Å; V267-Y310 HydrophobicContact CG1-CE1 4.23Å; V267-Y310 WeakPolarHBondContact CG1-OH 3.37Å; V267-Y310 PolarHBondContact O-OH 3.49Å; L273-Y310 HydrophobicContact CD1-CD2 3.77Å; L273-Y310 HydrophobicContact CD1-CE2 4.12Å; L273-Y310 HydrophobicContact CD1-CG 4.06Å; Y310-K312 HydrophobicContact CD1-CG 4.1Å; Y310-K312 HydrophobicContact CE1-CG 4.02Å; Y310-Q315 WeakPolarHBondContact OH-CA 3.47Å; Y310-I316 WeakPolarHBondContact CD2-O 3.47Å; Y310-L317 HydrophobicContact CD2-CB 3.98Å; Y310-L317 HydrophobicContact CD2-CD1 4.41Å |
| 311 | N | 81.2 | Confident | 84.4 | Confident | 75 Ų | 75 | 63 Ų | 63 | 40% | 0.401 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 110.9 | 177.1 | -176.7 | -12.4 | 0 | 0 | 0 | 110.9 | S313 T314 Q315 I316 | N311-S313 VanDerWaalsContact C-N 3.31Å; N311-S313 PolarHBondContact O-N 3.19Å; N311-S313 PolarHBondContact OD1-N 3.01Å; N311-S313 PolarHBondContact OD1-OG 3.03Å; N311-T314 WeakPolarHBondContact CB-OG1 3.33Å; N311-T314 VanDerWaalsContact CG-OG1 3.27Å; N311-T314 PolarHBondContact ND2-OG1 3.06Å; N311-Q315 VanDerWaalsContact O-CA 3.26Å; N311-Q315 WeakPolarHBondContact O-CA 3.39Å; N311-Q315 PolarHBondContact O-N 3.29Å; N311-I316 PolarHBondContact N-O 2.82Å; N311-I316 PolarHBondContact O-N 3.21Å |
| 312 | K | 76.9 | Confident | 84.7 | Confident | 119 Ų | 119 | 63.7 Ų | 63.7 | 52% | 0.517 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -20.9 | -178.5 | -64.1 | -165.6 | 173.6 | -146.6 | 0 | 115.2 | S268 S269 Y310 | S268-K312 PolarHBondContact O-NZ 2.57Å; S269-K312 PolarHBondContact OG-NZ 2.78Å; Y310-K312 HydrophobicContact CD1-CG 4.1Å; Y310-K312 HydrophobicContact CE1-CG 4.02Å |
| 313 | S | 76.1 | Confident | 85 | Confident | 108 Ų | 108 | 62.2 Ų | 62.2 | 76% | 0.755 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -27.9 | -178.4 | 64.7 | 0 | 0 | 0 | 0 | 113.5 | N311 | N311-S313 VanDerWaalsContact C-N 3.31Å; N311-S313 PolarHBondContact O-N 3.19Å; N311-S313 PolarHBondContact OD1-N 3.01Å; N311-S313 PolarHBondContact OD1-OG 3.03Å |
| 314 | T | 81.3 | Confident | 84.7 | Confident | 76 Ų | 76 | 59.6 Ų | 59.6 | 47% | 0.466 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -15 | 171.3 | 60.1 | 0 | 0 | 0 | 0 | 113 | N311 I316 | N311-T314 WeakPolarHBondContact CB-OG1 3.33Å; N311-T314 VanDerWaalsContact CG-OG1 3.27Å; N311-T314 PolarHBondContact ND2-OG1 3.06Å; T314-I316 VanDerWaalsContact C-N 3.27Å; T314-I316 PolarHBondContact O-N 3.3Å |
| 315 | Q | 82.9 | Confident | 84 | Confident | 57 Ų | 57 | 57.7 Ų | 57.7 | 27% | 0.266 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 33.7 | -173.5 | -52.3 | -172.2 | -66.8 | 0 | 0 | 113.4 | L264 G266 V267 Y310 N311 | L264-Q315 CarbonylContact C-O 3.58Å; L264-Q315 WeakPolarHBondContact CA-O 3.23Å; L264-Q315 PolarHBondContact N-O 2.89Å; G266-Q315 VanDerWaalsContact N-NE2 3.16Å; V267-Q315 PolarHBondContact O-NE2 2.93Å; Y310-Q315 WeakPolarHBondContact OH-CA 3.47Å; N311-Q315 VanDerWaalsContact O-CA 3.26Å; N311-Q315 WeakPolarHBondContact O-CA 3.39Å; N311-Q315 PolarHBondContact O-N 3.29Å |
| 316 | I | 85.9 | Confident | 82.5 | Confident | 41 Ų | 41 | 58.4 Ų | 58.4 | 21% | 0.21 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 134.5 | 178.7 | -58.6 | 176.1 | 0 | 0 | 0 | 109.9 | E261 I262 K263 Y310 N311 T314 | E261-I316 HydrophobicContact CB-CG2 4.39Å; I262-I316 WeakPolarHBondContact O-CA 3.15Å; K263-I316 HydrophobicContact CG-CG1 4.35Å; Y310-I316 WeakPolarHBondContact CD2-O 3.47Å; N311-I316 PolarHBondContact N-O 2.82Å; N311-I316 PolarHBondContact O-N 3.21Å; T314-I316 VanDerWaalsContact C-N 3.27Å; T314-I316 PolarHBondContact O-N 3.3Å |
| 317 | L | 86.8 | Confident | 80.4 | Confident | 9 Ų | 9 | 60.2 Ų | 60.2 | 5% | 0.047 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 122.9 | 163.9 | 179.3 | 68.2 | 0 | 0 | 0 | 108.8 | I262 L264 L273 L275 L284 A308 Y310 V319 | I262-L317 HydrophobicContact CB-CB 4.41Å; I262-L317 HydrophobicContact CD1-CD2 4.29Å; I262-L317 PolarHBondContact N-O 3.15Å; I262-L317 PolarHBondContact O-N 3.16Å; L264-L317 HydrophobicContact CD1-CB 3.74Å; L264-L317 HydrophobicContact CD1-CD2 4.36Å; L273-L317 HydrophobicContact CD1-CD1 4.48Å; L273-L317 HydrophobicContact CD1-CD2 4.42Å; L275-L317 HydrophobicContact CD1-CD2 4.25Å; L284-L317 HydrophobicContact CD1-CD2 3.63Å; L284-L317 HydrophobicContact CD2-CD2 4.03Å; L284-L317 HydrophobicContact CG-CD2 4.47Å; A308-L317 HydrophobicContact CB-CD1 4.32Å; Y310-L317 HydrophobicContact CD2-CB 3.98Å; Y310-L317 HydrophobicContact CD2-CD1 4.41Å; L317-V319 HydrophobicContact CD2-CG2 4.13Å; L317-V319 HydrophobicContact CG-CG2 4.01Å |
| 318 | T | 90.1 | Very high | 78.2 | Confident | 39 Ų | 39 | 66.4 Ų | 66.4 | 24% | 0.239 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 123.1 | 172.1 | -53.2 | 0 | 0 | 0 | 0 | 108.4 | I259 A260 E261 A308 Q309 | I259-T318 HydrophobicContact CG2-CG2 3.7Å; A260-T318 CarbonylContact O-C 3.55Å; A260-T318 WeakPolarHBondContact O-CA 3.2Å; E261-T318 HydrophobicContact CG-CG2 4.35Å; A308-T318 CarbonylContact C-O 3.18Å; A308-T318 WeakPolarHBondContact CA-O 3.49Å; Q309-T318 PolarHBondContact N-O 2.73Å; Q309-T318 PolarHBondContact O-N 3.06Å |
| 319 | V | 90.4 | Very high | 77.6 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.006 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 116.3 | 176.4 | -165.5 | 0 | 0 | 0 | 0 | 108.5 | I259 A260 L275 V277 A308 L317 M321 | I259-V319 CarbonylContact C-O 3.58Å; I259-V319 VanDerWaalsContact CA-O 3.31Å; I259-V319 WeakPolarHBondContact CA-O 3.27Å; A260-V319 HydrophobicContact CB-CB 4.32Å; A260-V319 PolarHBondContact N-O 3.46Å; A260-V319 PolarHBondContact O-N 2.99Å; L275-V319 HydrophobicContact CD1-CG2 4.23Å; L275-V319 HydrophobicContact CD2-CG1 3.99Å; L275-V319 HydrophobicContact CD2-CG2 3.69Å; V277-V319 HydrophobicContact CG2-CG1 4.41Å; A308-V319 HydrophobicContact CB-CG1 4.37Å; A308-V319 HydrophobicContact CB-CG2 4.35Å; L317-V319 HydrophobicContact CD2-CG2 4.13Å; L317-V319 HydrophobicContact CG-CG2 4.01Å; V319-M321 HydrophobicContact CG1-CG 3.83Å; V319-M321 HydrophobicContact CG1-SD 4.14Å |
| 320 | T | 89.1 | Confident | 77.1 | Confident | 45 Ų | 45 | 63.3 Ų | 63.3 | 28% | 0.276 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 115.7 | 177.4 | -58 | 0 | 0 | 0 | 0 | 108.8 | Y257 I259 S306 V307 | Y257-T320 HydrophobicContact CD1-CG2 3.97Å; Y257-T320 HydrophobicContact CG-CG2 4.46Å; I259-T320 HydrophobicContact CG1-CG2 4.3Å; S306-T320 WeakPolarHBondContact CA-O 3.4Å; V307-T320 PolarHBondContact N-O 3.49Å; V307-T320 PolarHBondContact O-N 3.28Å |
| 321 | M | 91.1 | Very high | 76.5 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 113.2 | -172.9 | -59.2 | 168 | -76.9 | 0 | 0 | 108.7 | Y257 L258 A260 V277 L282 V301 S306 V319 V323 | Y257-M321 WeakPolarHBondContact CA-O 3.43Å; L258-M321 HydrophobicContact CB-CE 4.31Å; L258-M321 HydrophobicContact CD2-CE 3.74Å; L258-M321 HydrophobicContact CG-CE 3.78Å; L258-M321 PolarHBondContact N-O 2.94Å; L258-M321 PolarHBondContact O-N 2.7Å; A260-M321 HydrophobicContact CB-CE 3.95Å; V277-M321 HydrophobicContact CG1-CG 4.23Å; V277-M321 HydrophobicContact CG1-SD 3.89Å; L282-M321 HydrophobicContact CD1-SD 3.97Å; L282-M321 HydrophobicContact CD2-CE 4.23Å; V301-M321 HydrophobicContact CB-CB 3.9Å; V301-M321 HydrophobicContact CG1-CB 3.87Å; V301-M321 HydrophobicContact CG2-CB 4.13Å; V301-M321 HydrophobicContact CG2-SD 4.4Å; S306-M321 WeakPolarHBondContact OG-CA 3.22Å; V319-M321 HydrophobicContact CG1-CG 3.83Å; V319-M321 HydrophobicContact CG1-SD 4.14Å; M321-V323 PolarHBondContact O-N 3.17Å |
| 322 | P | 88.6 | Confident | 76.2 | Confident | 25 Ų | 25 | 64.2 Ų | 64.2 | 16% | 0.162 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 133.8 | 176.7 | -18 | 30.4 | 0 | 0 | 0 | 110.3 | Y257 V301 D302 N305 G324 | Y257-P322 HydrophobicContact CD1-CB 4.19Å; Y257-P322 HydrophobicContact CD1-CG 4.28Å; Y257-P322 HydrophobicContact CE1-CB 4.11Å; Y257-P322 HydrophobicContact CE1-CG 4.12Å; V301-P322 CarbonylContact C-O 3.56Å; V301-P322 VanDerWaalsContact CA-O 3.27Å; V301-P322 WeakPolarHBondContact CA-O 3.36Å; V301-P322 WeakPolarHBondContact CB-O 3.44Å; D302-P322 HydrophobicContact CB-CB 4.18Å; D302-P322 HydrophobicContact CB-CG 4.46Å; D302-P322 PolarHBondContact N-O 3.33Å; N305-P322 HydrophobicContact CB-CG 3.98Å; N305-P322 WeakPolarHBondContact O-CG 3.4Å; P322-G324 PolarHBondContact O-N 3.24Å |
| 323 | V | 89.1 | Confident | 76.2 | Confident | 26 Ų | 26 | 60.8 Ų | 60.8 | 16% | 0.158 | 41% | 0.414 | C | S | . | . | B | Isolated β-bridge | trans | -77.6 | 124.1 | 176.5 | 175.4 | 0 | 0 | 0 | 0 | 108.9 | P255 E256 L258 F299 M321 S325 | P255-V323 HydrophobicContact CB-CG2 4.32Å; P255-V323 HydrophobicContact CG-CG1 4.36Å; E256-V323 PolarHBondContact O-N 3.22Å; L258-V323 HydrophobicContact CB-CG2 4.29Å; F299-V323 HydrophobicContact CB-CG1 4.1Å; F299-V323 HydrophobicContact CB-CG2 4Å; F299-V323 HydrophobicContact CD1-CG1 4.43Å; F299-V323 HydrophobicContact CG-CG1 4.49Å; F299-V323 HydrophobicContact CG-CG2 4.2Å; M321-V323 PolarHBondContact O-N 3.17Å; V323-S325 PolarHBondContact O-N 2.94Å |
| 324 | G | 77.1 | Confident | 76.2 | Confident | 36 Ų | 36 | 57.6 Ų | 57.6 | 37% | 0.371 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 117.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | L300 P322 S326 | L300-G324 PolarHBondContact O-N 3.07Å; P322-G324 PolarHBondContact O-N 3.24Å; G324-S326 PolarHBondContact O-N 2.95Å; G324-S326 VanDerWaalsContact O-N 3.09Å |
| 325 | S | 61.6 | Low | 75.8 | Confident | 120 Ų | 120 | 56.3 Ų | 56.3 | 84% | 0.839 | 39% | 0.386 | S | S | * | . | trans | -66 | 112.6 | 177.4 | 47.3 | 0 | 0 | 0 | 0 | 109.8 | V323 G327 | V323-S325 PolarHBondContact O-N 2.94Å; S325-G327 VanDerWaalsContact C-N 3.31Å; S325-G327 PolarHBondContact O-N 3.27Å | ||
| 326 | S | 50.9 | Low | 75.3 | Confident | 119 Ų | 119 | 56.2 Ų | 56.2 | 83% | 0.832 | 40% | 0.395 | S | S | * | . | trans | -68 | 91.6 | 172 | 47.4 | 0 | 0 | 0 | 0 | 109.6 | G324 | G324-S326 PolarHBondContact O-N 2.95Å; G324-S326 VanDerWaalsContact O-N 3.09Å | ||
| 327 | G | 39.7 | Very low | 74.4 | Confident | 64 Ų | 64 | 57.5 Ų | 57.5 | 66% | 0.66 | 41% | 0.411 | S | S | * | . | trans | -56.3 | 140.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S325 | S325-G327 VanDerWaalsContact C-N 3.31Å; S325-G327 PolarHBondContact O-N 3.27Å | ||
| 328 | P | 38.3 | Very low | 73.3 | Confident | 206 Ų | 206 | 61.9 Ų | 61.9 | 100% | 1.338 | 44% | 0.444 | S | S | * | . | trans | -74.8 | 0 | -178.8 | 32.8 | -37.1 | 0 | 0 | 0 | 113.7 |
Retrieved 328 of 328 residues in 333.1 ms
(Link to these results)