| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.3 | Very low | 38.4 | Very low | 232 Ų | 232 | 150.5 Ų | 150.5 | 100% | 1.143 | 80% | 0.803 | S | S | * | * | 0 | 92.6 | 0 | -68.5 | -170 | 175.7 | 0 | 0 | 108 | |||||
| 2 | A | 40.9 | Very low | 38 | Very low | 94 Ų | 94 | 146.5 Ų | 146.5 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | trans | -93.1 | 103.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | L4 | A2-L4 VanDerWaalsContact C-N 3.32Å; A2-L4 PolarHBondContact O-N 3.07Å | ||
| 3 | F | 39.3 | Very low | 37.5 | Very low | 186 Ų | 186 | 146.8 Ų | 146.8 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | trans | -63.7 | 95.1 | 168.9 | -89 | -99.7 | 0 | 0 | 0 | 107.8 | L5 | F3-L5 PolarHBondContact O-N 2.84Š| ||
| 4 | L | 42.4 | Very low | 37.1 | Very low | 165 Ų | 165 | 147.1 Ų | 147.1 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | -69 | 83 | 162.5 | -69.5 | 172.3 | 0 | 0 | 0 | 106.2 | A2 S6 | A2-L4 VanDerWaalsContact C-N 3.32Å; A2-L4 PolarHBondContact O-N 3.07Å; L4-S6 PolarHBondContact O-N 2.62Å | ||
| 5 | L | 42 | Very low | 36.6 | Very low | 148 Ų | 148 | 148.7 Ų | 148.7 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | trans | -54.1 | 99.1 | 164.7 | -77.1 | 164.6 | 0 | 0 | 0 | 105.8 | F3 L7 | F3-L5 PolarHBondContact O-N 2.84Å; L5-L7 PolarHBondContact O-N 3.07Å | ||
| 6 | S | 39.8 | Very low | 36.6 | Very low | 90 Ų | 90 | 146.6 Ų | 146.6 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | trans | -50.4 | 109.3 | 172.5 | 57.8 | 0 | 0 | 0 | 0 | 106.4 | L4 R8 | L4-S6 PolarHBondContact O-N 2.62Å; S6-R8 PolarHBondContact O-N 3.23Å | ||
| 7 | L | 38.4 | Very low | 36.4 | Very low | 174 Ų | 174 | 143.9 Ų | 143.9 | 91% | 0.911 | 76% | 0.764 | S | S | * | * | trans | -59.8 | 80.7 | 166.5 | -80 | 138.8 | 0 | 0 | 0 | 106.4 | L5 P9 | L5-L7 PolarHBondContact O-N 3.07Å; L7-P9 WeakPolarHBondContact O-CD 3.14Å | ||
| 8 | R | 38.6 | Very low | 36.1 | Very low | 210 Ų | 210 | 144.7 Ų | 144.7 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | trans | -63.8 | 120.7 | 165.7 | -74.4 | -167.4 | 174.6 | 172.8 | -1 | 104.6 | S6 L10 | S6-R8 PolarHBondContact O-N 3.23Å; R8-L10 PolarHBondContact O-N 2.89Å | ||
| 9 | P | 38.4 | Very low | 35.9 | Very low | 106 Ų | 106 | 143.7 Ų | 143.7 | 69% | 0.688 | 76% | 0.763 | S | S | * | * | trans | -55.1 | 122.4 | 172.1 | 22.6 | -30.5 | 0 | 0 | 0 | 106.4 | L7 C11 | L7-P9 WeakPolarHBondContact O-CD 3.14Å; P9-C11 PolarHBondContact O-N 2.85Å | ||
| 10 | L | 33.7 | Very low | 35.7 | Very low | 163 Ų | 163 | 146.1 Ų | 146.1 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | trans | -65.4 | 82.3 | 169.2 | -79.1 | 160.3 | 0 | 0 | 0 | 106.1 | R8 V12 | R8-L10 PolarHBondContact O-N 2.89Å; L10-V12 HydrophobicContact CB-CG2 4.45Å; L10-V12 PolarHBondContact O-N 3.05Å | ||
| 11 | C | 29.1 | Very low | 35.5 | Very low | 87 Ų | 87 | 148.7 Ų | 148.7 | 59% | 0.588 | 77% | 0.768 | S | S | * | * | trans | -68 | 84.8 | 162.8 | -72.7 | 0 | 0 | 0 | 0 | 105.8 | P9 Q13 | P9-C11 PolarHBondContact O-N 2.85Å; C11-Q13 PolarHBondContact O-N 2.92Å | ||
| 12 | V | 33.5 | Very low | 35.2 | Very low | 103 Ų | 103 | 143.7 Ų | 143.7 | 62% | 0.624 | 74% | 0.742 | S | S | * | * | trans | -66 | 106.9 | 167 | -177.3 | 0 | 0 | 0 | 0 | 104.8 | L10 L14 | L10-V12 HydrophobicContact CB-CG2 4.45Å; L10-V12 PolarHBondContact O-N 3.05Å; V12-L14 HydrophobicContact CG1-CD1 4.24Å; V12-L14 PolarHBondContact O-N 3.27Å | ||
| 13 | Q | 32.2 | Very low | 34.8 | Very low | 151 Ų | 151 | 143 Ų | 143 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | trans | -55.5 | 99.9 | 160 | -86.2 | -179.5 | -28.1 | 0 | 0 | 105.6 | C11 Y15 | C11-Q13 PolarHBondContact O-N 2.92Å; Q13-Y15 HydrophobicContact CB-CE2 4.37Å; Q13-Y15 PolarHBondContact O-N 2.85Å | ||
| 14 | L | 32.1 | Very low | 34.5 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | trans | -70.9 | 83.8 | 178.6 | -137.9 | 84.2 | 0 | 0 | 0 | 105.9 | V12 | V12-L14 HydrophobicContact CG1-CD1 4.24Å; V12-L14 PolarHBondContact O-N 3.27Å | ||
| 15 | Y | 29.6 | Very low | 34.3 | Very low | 172 Ų | 172 | 137.3 Ų | 137.3 | 68% | 0.675 | 72% | 0.716 | S | S | * | * | trans | -54.8 | 137.5 | 158.3 | -77.7 | -87.9 | 0 | 0 | 0 | 106.5 | Q13 T17 | Q13-Y15 HydrophobicContact CB-CE2 4.37Å; Q13-Y15 PolarHBondContact O-N 2.85Å; Y15-T17 PolarHBondContact O-N 3.35Å | ||
| 16 | P | 35.8 | Very low | 34.1 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 74% | 0.74 | 72% | 0.715 | S | S | * | * | trans | -69.8 | 77.6 | -178.7 | 28.6 | -34.3 | 0 | 0 | 0 | 109.5 | ||||
| 17 | T | 33.6 | Very low | 34 | Very low | 102 Ų | 102 | 138 Ų | 138 | 63% | 0.626 | 71% | 0.712 | S | S | * | * | trans | -80.7 | 123.1 | 161.3 | 56.8 | 0 | 0 | 0 | 0 | 106.3 | Y15 D19 | Y15-T17 PolarHBondContact O-N 3.35Å; T17-D19 PolarHBondContact O-N 2.77Å; T17-D19 PolarHBondContact OG1-OD2 2.91Å | ||
| 18 | N | 31.5 | Very low | 33.9 | Very low | 157 Ų | 157 | 135.1 Ų | 135.1 | 84% | 0.84 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -69 | 49.1 | -171.5 | -70.4 | -72.7 | 0 | 0 | 0 | 113.4 | ||
| 19 | D | 32.5 | Very low | 33.9 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 67% | 0.674 | 69% | 0.691 | S | S | * | * | trans | -101.9 | 19.7 | -175.9 | -62 | -41.8 | 0 | 0 | 0 | 112.7 | T17 K21 | T17-D19 PolarHBondContact O-N 2.77Å; T17-D19 PolarHBondContact OG1-OD2 2.91Å; D19-K21 PolarHBondContact O-N 2.98Å | ||
| 20 | Y | 31.7 | Very low | 33.8 | Very low | 192 Ų | 192 | 130.7 Ų | 130.7 | 75% | 0.753 | 69% | 0.691 | S | S | * | * | trans | -74.7 | 56 | 166 | -146.5 | -92.8 | 0 | 0 | 0 | 110.9 | Q22 | Y20-Q22 HydrophobicContact CD1-CB 4.26Å; Y20-Q22 HydrophobicContact CD2-CB 4.4Å; Y20-Q22 HydrophobicContact CE1-CB 3.95Å; Y20-Q22 HydrophobicContact CE2-CB 4.08Å; Y20-Q22 HydrophobicContact CE2-CG 4.42Å; Y20-Q22 HydrophobicContact CG-CB 4.49Å; Y20-Q22 VanDerWaalsContact CZ-OE1 3.22Å; Y20-Q22 PolarHBondContact OH-OE1 2.91Å | ||
| 21 | K | 31.4 | Very low | 34 | Very low | 200 Ų | 200 | 131.7 Ų | 131.7 | 87% | 0.87 | 69% | 0.692 | S | S | * | * | trans | -90.2 | 51 | 148 | -65.9 | -172.1 | -178.1 | 179.7 | 0 | 107.4 | D19 S23 | D19-K21 PolarHBondContact O-N 2.98Å; K21-S23 PolarHBondContact O-N 2.92Å; K21-S23 VanDerWaalsContact O-N 3.15Å | ||
| 22 | Q | 32.7 | Very low | 34.5 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 59% | 0.593 | 70% | 0.695 | S | S | * | * | trans | -69.2 | 115 | 165.3 | -111.3 | 178.5 | 5.7 | 0 | 0 | 106.6 | Y20 L24 | Y20-Q22 HydrophobicContact CD1-CB 4.26Å; Y20-Q22 HydrophobicContact CD2-CB 4.4Å; Y20-Q22 HydrophobicContact CE1-CB 3.95Å; Y20-Q22 HydrophobicContact CE2-CB 4.08Å; Y20-Q22 HydrophobicContact CE2-CG 4.42Å; Y20-Q22 HydrophobicContact CG-CB 4.49Å; Y20-Q22 VanDerWaalsContact CZ-OE1 3.22Å; Y20-Q22 PolarHBondContact OH-OE1 2.91Å; Q22-L24 PolarHBondContact O-N 2.99Å | ||
| 23 | S | 31.7 | Very low | 34.3 | Very low | 79 Ų | 79 | 138.8 Ų | 138.8 | 55% | 0.552 | 71% | 0.705 | S | S | * | * | trans | -45 | 110.5 | -177.9 | -166.7 | 0 | 0 | 0 | 0 | 110.2 | K21 S25 | K21-S23 PolarHBondContact O-N 2.92Å; K21-S23 VanDerWaalsContact O-N 3.15Å; S23-S25 WeakPolarHBondContact CB-OG 3.07Å; S23-S25 PolarHBondContact O-N 2.91Å; S23-S25 WeakPolarHBondContact OG-CB 3.39Å; S23-S25 PolarHBondContact OG-OG 3.21Å | ||
| 24 | L | 34.5 | Very low | 34.5 | Very low | 149 Ų | 149 | 137.5 Ų | 137.5 | 78% | 0.78 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -63.9 | 8.4 | 169.6 | -106.2 | 110 | 0 | 0 | 0 | 112.6 | Q22 D26 I27 | Q22-L24 PolarHBondContact O-N 2.99Å; L24-D26 VanDerWaalsContact C-N 3.27Å; L24-D26 PolarHBondContact O-N 3.17Å; L24-I27 HydrophobicContact CD2-CD1 4.45Å; L24-I27 HydrophobicContact CG-CD1 4.47Å |
| 25 | S | 36.9 | Very low | 34.5 | Very low | 84 Ų | 84 | 133.1 Ų | 133.1 | 59% | 0.587 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -70.3 | -21.1 | 176 | 59.9 | 0 | 0 | 0 | 0 | 113.8 | S23 | S23-S25 WeakPolarHBondContact CB-OG 3.07Å; S23-S25 PolarHBondContact O-N 2.91Å; S23-S25 WeakPolarHBondContact OG-CB 3.39Å; S23-S25 PolarHBondContact OG-OG 3.21Å |
| 26 | D | 38.1 | Very low | 34.9 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 74% | 0.738 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -100.4 | -1.4 | -170.1 | -62 | 0.1 | 0 | 0 | 0 | 112.9 | L24 D28 | L24-D26 VanDerWaalsContact C-N 3.27Å; L24-D26 PolarHBondContact O-N 3.17Å; D26-D28 VanDerWaalsContact C-N 3.32Å; D26-D28 PolarHBondContact O-N 2.88Å |
| 27 | I | 37.7 | Very low | 35 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 59% | 0.585 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -80.1 | 94 | 167.1 | -58.9 | 173.6 | 0 | 0 | 0 | 106.2 | L24 S29 | L24-I27 HydrophobicContact CD2-CD1 4.45Å; L24-I27 HydrophobicContact CG-CD1 4.47Å; I27-S29 PolarHBondContact O-N 2.65Å |
| 28 | D | 36.8 | Very low | 35.2 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 60% | 0.604 | 72% | 0.715 | S | S | * | * | trans | -44.8 | 104.7 | 173.4 | -138.7 | -26.8 | 0 | 0 | 0 | 108.6 | D26 N30 E31 | D26-D28 VanDerWaalsContact C-N 3.32Å; D26-D28 PolarHBondContact O-N 2.88Å; D28-N30 PolarHBondContact O-N 3.07Å; D28-E31 PolarHBondContact O-N 3.28Å | ||
| 29 | S | 38.1 | Very low | 35.5 | Very low | 92 Ų | 92 | 141 Ų | 141 | 64% | 0.643 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -60.8 | -5.8 | -174.9 | 49.2 | 0 | 0 | 0 | 0 | 113.2 | I27 E31 L32 | I27-S29 PolarHBondContact O-N 2.65Å; S29-E31 VanDerWaalsContact C-N 3.31Å; S29-E31 PolarHBondContact O-N 3.09Å; S29-L32 WeakPolarHBondContact O-CB 3.29Å; S29-L32 PolarHBondContact O-N 3.02Å |
| 30 | N | 36 | Very low | 36.1 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -70.8 | -18.8 | 176.8 | -75.3 | -30 | 0 | 0 | 0 | 114.3 | D28 L32 | D28-N30 PolarHBondContact O-N 3.07Å; N30-L32 VanDerWaalsContact C-N 3.32Å |
| 31 | E | 39.2 | Very low | 36.8 | Very low | 184 Ų | 184 | 141.1 Ų | 141.1 | 86% | 0.86 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -85 | -7.6 | 172.3 | -68.3 | -162.1 | 163 | 0 | 0 | 113.3 | D28 S29 Y33 | D28-E31 PolarHBondContact O-N 3.28Å; S29-E31 VanDerWaalsContact C-N 3.31Å; S29-E31 PolarHBondContact O-N 3.09Å; E31-Y33 PolarHBondContact O-N 2.9Å |
| 32 | L | 38.3 | Very low | 37.3 | Very low | 127 Ų | 127 | 137.7 Ų | 137.7 | 67% | 0.665 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -80.6 | 40.9 | -176.1 | -126.3 | 91.2 | 0 | 0 | 0 | 113.4 | S29 N30 | S29-L32 WeakPolarHBondContact O-CB 3.29Å; S29-L32 PolarHBondContact O-N 3.02Å; N30-L32 VanDerWaalsContact C-N 3.32Å |
| 33 | Y | 29 | Very low | 38 | Very low | 212 Ų | 212 | 135.9 Ų | 135.9 | 83% | 0.831 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 81.1 | 116.1 | -179.2 | -55 | -91.9 | 0 | 0 | 0 | 114.1 | E31 | E31-Y33 PolarHBondContact O-N 2.9Š|
| 34 | P | 37.1 | Very low | 39 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | S | Bend | -152.8 | 104.2 | 80.8 | 35.7 | -14.4 | 0 | 0 | 0 | 113.8 | |||
| 35 | G | 33.1 | Very low | 39.9 | Very low | 58 Ų | 58 | 136.2 Ų | 136.2 | 60% | 0.598 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 160 | 47.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | V37 | G35-V37 VanDerWaalsContact C-N 3.28Å; G35-V37 PolarHBondContact O-N 2.71Å |
| 36 | K | 36.2 | Very low | 40.8 | Very low | 183 Ų | 183 | 135 Ų | 135 | 80% | 0.796 | 69% | 0.691 | S | S | * | * | trans | 40.1 | 45.1 | 152.3 | -56.9 | -175 | -179.5 | -179.2 | 0 | 116.7 | Y38 | K36-Y38 HydrophobicContact CB-CD2 4.18Å; K36-Y38 HydrophobicContact CB-CE2 4.2Å; K36-Y38 HydrophobicContact CG-CE2 4.27Å; K36-Y38 PolarHBondContact O-N 2.9Å | ||
| 37 | V | 38.8 | Very low | 41.7 | Very low | 126 Ų | 126 | 134 Ų | 134 | 76% | 0.764 | 70% | 0.703 | S | S | * | * | trans | -81.9 | 77.6 | 158.3 | -171.1 | 0 | 0 | 0 | 0 | 105.7 | G35 R39 | G35-V37 VanDerWaalsContact C-N 3.28Å; G35-V37 PolarHBondContact O-N 2.71Å; V37-R39 HydrophobicContact CG1-CG 4.27Å; V37-R39 PolarHBondContact O-N 3.48Å | ||
| 38 | Y | 37.2 | Very low | 42.8 | Very low | 198 Ų | 198 | 138.6 Ų | 138.6 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | trans | -63.9 | 89.8 | 160.3 | -74.4 | -90.7 | 0 | 0 | 0 | 105 | K36 S40 | K36-Y38 HydrophobicContact CB-CD2 4.18Å; K36-Y38 HydrophobicContact CB-CE2 4.2Å; K36-Y38 HydrophobicContact CG-CE2 4.27Å; K36-Y38 PolarHBondContact O-N 2.9Å; Y38-S40 PolarHBondContact O-N 3.4Å | ||
| 39 | R | 39.5 | Very low | 43.8 | Very low | 204 Ų | 204 | 136 Ų | 136 | 77% | 0.77 | 70% | 0.696 | S | S | * | * | trans | -55.7 | 104.4 | 157 | -77.9 | -172.6 | 177.7 | 179.1 | 1 | 103.5 | V37 W41 | V37-R39 HydrophobicContact CG1-CG 4.27Å; V37-R39 PolarHBondContact O-N 3.48Å; R39-W41 VanDerWaalsContact C-N 3.34Å; R39-W41 PolarHBondContact O-N 2.82Å; R39-W41 PolarHBondContact O-NE1 2.86Å | ||
| 40 | S | 44.6 | Very low | 44.7 | Very low | 99 Ų | 99 | 136.3 Ų | 136.3 | 69% | 0.692 | 69% | 0.691 | S | S | * | * | trans | -61 | 106 | 169.6 | 51.9 | 0 | 0 | 0 | 0 | 104.5 | Y38 N42 | Y38-S40 PolarHBondContact O-N 3.4Å; S40-N42 VanDerWaalsContact C-N 3.27Å; S40-N42 PolarHBondContact O-N 2.84Å | ||
| 41 | W | 45.6 | Very low | 45.6 | Very low | 220 Ų | 220 | 138.7 Ų | 138.7 | 83% | 0.833 | 69% | 0.69 | S | S | * | * | trans | -65 | 105.5 | 170.7 | -49.8 | -9.8 | 0 | 0 | 0 | 102.6 | R39 V43 | R39-W41 VanDerWaalsContact C-N 3.34Å; R39-W41 PolarHBondContact O-N 2.82Å; R39-W41 PolarHBondContact O-NE1 2.86Å; W41-V43 HydrophobicContact CB-CG2 3.94Å; W41-V43 PolarHBondContact O-N 3.28Å | ||
| 42 | N | 41.3 | Very low | 46.7 | Very low | 129 Ų | 129 | 138.4 Ų | 138.4 | 69% | 0.69 | 69% | 0.688 | S | S | * | * | trans | -66.9 | 76.4 | 164.6 | -101.4 | -8.2 | 0 | 0 | 0 | 104.7 | S40 D44 | S40-N42 VanDerWaalsContact C-N 3.27Å; S40-N42 PolarHBondContact O-N 2.84Å; N42-D44 PolarHBondContact O-N 3.49Å | ||
| 43 | V | 48 | Very low | 47.6 | Very low | 88 Ų | 88 | 135.9 Ų | 135.9 | 53% | 0.533 | 69% | 0.686 | S | S | . | * | trans | -71.1 | 116.8 | 161.3 | -174.6 | 0 | 0 | 0 | 0 | 102.7 | W41 L45 | W41-V43 HydrophobicContact CB-CG2 3.94Å; W41-V43 PolarHBondContact O-N 3.28Å; V43-L45 HydrophobicContact CB-CG 4.48Å; V43-L45 WeakPolarHBondContact O-CD1 3.48Å; V43-L45 WeakPolarHBondContact O-CG 3.42Å; V43-L45 PolarHBondContact O-N 2.84Å | ||
| 44 | D | 53.9 | Low | 48.4 | Very low | 158 Ų | 158 | 133.2 Ų | 133.2 | 85% | 0.845 | 68% | 0.676 | S | S | * | * | trans | -59.9 | 91.2 | 166.4 | -70.3 | -39.2 | 0 | 0 | 0 | 106.4 | N42 | N42-D44 PolarHBondContact O-N 3.49Š| ||
| 45 | L | 53.6 | Low | 49 | Very low | 78 Ų | 78 | 135.2 Ų | 135.2 | 41% | 0.408 | 67% | 0.674 | S | S | . | * | trans | -68.1 | 138.6 | -178.9 | -74.2 | 131.1 | 0 | 0 | 0 | 106.9 | V43 F49 | V43-L45 HydrophobicContact CB-CG 4.48Å; V43-L45 WeakPolarHBondContact O-CD1 3.48Å; V43-L45 WeakPolarHBondContact O-CG 3.42Å; V43-L45 PolarHBondContact O-N 2.84Å; L45-F49 HydrophobicContact CB-CB 4.1Å; L45-F49 HydrophobicContact CB-CD1 4.07Å; L45-F49 HydrophobicContact CB-CG 4.21Å; L45-F49 HydrophobicContact CD1-CD1 4.5Å; L45-F49 HydrophobicContact CD2-CB 4.46Å; L45-F49 HydrophobicContact CD2-CD1 3.55Å; L45-F49 HydrophobicContact CD2-CD2 4.04Å; L45-F49 HydrophobicContact CD2-CE1 3.62Å; L45-F49 HydrophobicContact CD2-CE2 4.1Å; L45-F49 HydrophobicContact CD2-CG 3.74Å; L45-F49 HydrophobicContact CD2-CZ 3.87Å; L45-F49 HydrophobicContact CG-CD1 4.24Å | ||
| 46 | P | 54.1 | Low | 49.9 | Very low | 58 Ų | 58 | 137.8 Ų | 137.8 | 38% | 0.377 | 68% | 0.68 | S | S | . | * | trans | -53.3 | 149.4 | -179.5 | -22.9 | 30.2 | 0 | 0 | 0 | 111.4 | W48 F49 | P46-W48 VanDerWaalsContact CB-CD1 3.44Å; P46-W48 HydrophobicContact CB-CD2 3.99Å; P46-W48 VanDerWaalsContact CB-CE2 3.45Å; P46-W48 HydrophobicContact CB-CG 3.99Å; P46-W48 HydrophobicContact CB-CZ2 4.03Å; P46-W48 HydrophobicContact CG-CZ2 3.74Å; P46-W48 PolarHBondContact O-N 2.89Å; P46-F49 VanDerWaalsContact O-CB 3.23Å; P46-F49 WeakPolarHBondContact O-CB 3.35Å; P46-F49 PolarHBondContact O-N 2.76Å | ||
| 47 | A | 58.5 | Low | 50.4 | Low | 118 Ų | 118 | 137 Ų | 137 | 98% | 0.975 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -19.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | F49 | A47-F49 VanDerWaalsContact C-N 3.34Š|
| 48 | W | 60.4 | Low | 50.9 | Low | 209 Ų | 209 | 139.2 Ų | 139.2 | 79% | 0.792 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -9.8 | 174.1 | 58.7 | -101.1 | 0 | 0 | 0 | 113.6 | P46 D50 | P46-W48 VanDerWaalsContact CB-CD1 3.44Å; P46-W48 HydrophobicContact CB-CD2 3.99Å; P46-W48 VanDerWaalsContact CB-CE2 3.45Å; P46-W48 HydrophobicContact CB-CG 3.99Å; P46-W48 HydrophobicContact CB-CZ2 4.03Å; P46-W48 HydrophobicContact CG-CZ2 3.74Å; P46-W48 PolarHBondContact O-N 2.89Å; W48-D50 PolarHBondContact O-N 2.84Å |
| 49 | F | 58.2 | Low | 51.1 | Low | 60 Ų | 60 | 140.3 Ų | 140.3 | 26% | 0.263 | 69% | 0.688 | S | S | . | * | S | Bend | trans | -82.4 | 103.7 | 179.1 | -168.2 | -87 | 0 | 0 | 0 | 109.5 | L45 P46 A47 R51 Y54 | L45-F49 HydrophobicContact CB-CB 4.1Å; L45-F49 HydrophobicContact CB-CD1 4.07Å; L45-F49 HydrophobicContact CB-CG 4.21Å; L45-F49 HydrophobicContact CD1-CD1 4.5Å; L45-F49 HydrophobicContact CD2-CB 4.46Å; L45-F49 HydrophobicContact CD2-CD1 3.55Å; L45-F49 HydrophobicContact CD2-CD2 4.04Å; L45-F49 HydrophobicContact CD2-CE1 3.62Å; L45-F49 HydrophobicContact CD2-CE2 4.1Å; L45-F49 HydrophobicContact CD2-CG 3.74Å; L45-F49 HydrophobicContact CD2-CZ 3.87Å; L45-F49 HydrophobicContact CG-CD1 4.24Å; P46-F49 VanDerWaalsContact O-CB 3.23Å; P46-F49 WeakPolarHBondContact O-CB 3.35Å; P46-F49 PolarHBondContact O-N 2.76Å; A47-F49 VanDerWaalsContact C-N 3.34Å; F49-R51 PolarHBondContact O-N 3.15Å; F49-Y54 HydrophobicContact CE1-CD2 4.11Å; F49-Y54 HydrophobicContact CE1-CG 4Å; F49-Y54 HydrophobicContact CE2-CD2 4.19Å; F49-Y54 HydrophobicContact CE2-CE2 4.46Å; F49-Y54 HydrophobicContact CZ-CD1 4.45Å; F49-Y54 AromaticContact CZ-CD2 3.37Å; F49-Y54 HydrophobicContact CZ-CD2 3.37Å; F49-Y54 AromaticContact CZ-CE2 3.85Å; F49-Y54 HydrophobicContact CZ-CE2 3.85Å; F49-Y54 AromaticContact CZ-CG 3.69Å; F49-Y54 HydrophobicContact CZ-CG 3.69Å |
| 50 | D | 56.4 | Low | 51.3 | Low | 98 Ų | 98 | 136.6 Ų | 136.6 | 52% | 0.524 | 68% | 0.683 | S | S | . | * | trans | -70.8 | 99.7 | 176.6 | -168.4 | -13 | 0 | 0 | 0 | 110 | W48 E52 A53 Y54 | W48-D50 PolarHBondContact O-N 2.84Å; D50-E52 PolarHBondContact O-N 2.79Å; D50-E52 WeakPolarHBondContact OD1-CB 3.44Å; D50-E52 PolarHBondContact OD1-N 2.9Å; D50-A53 HydrophobicContact CB-CB 3.91Å; D50-A53 PolarHBondContact O-N 2.63Å; D50-A53 PolarHBondContact OD1-N 3.05Å; D50-Y54 PolarHBondContact O-N 3.06Å | ||
| 51 | R | 54.6 | Low | 51.5 | Low | 181 Ų | 181 | 137.3 Ų | 137.3 | 68% | 0.683 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -25.6 | -179.9 | -158.1 | 179.9 | -170.6 | -178 | 5.9 | 111.7 | F49 | F49-R51 PolarHBondContact O-N 3.15Š|
| 52 | E | 61.5 | Low | 51.2 | Low | 177 Ų | 177 | 134.5 Ų | 134.5 | 83% | 0.827 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -33.5 | 178.8 | -61.1 | -173.7 | 175.8 | 0 | 0 | 111.5 | D50 Y54 | D50-E52 PolarHBondContact O-N 2.79Å; D50-E52 WeakPolarHBondContact OD1-CB 3.44Å; D50-E52 PolarHBondContact OD1-N 2.9Å; E52-Y54 VanDerWaalsContact C-N 3.26Å; E52-Y54 PolarHBondContact O-N 3.24Å |
| 53 | A | 57.6 | Low | 51.2 | Low | 75 Ų | 75 | 133.6 Ų | 133.6 | 62% | 0.62 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -25.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D50 Q55 | D50-A53 HydrophobicContact CB-CB 3.91Å; D50-A53 PolarHBondContact O-N 2.63Å; D50-A53 PolarHBondContact OD1-N 3.05Å; A53-Q55 VanDerWaalsContact C-N 3.3Å; A53-Q55 PolarHBondContact O-N 2.78Å |
| 54 | Y | 46.3 | Very low | 51.1 | Low | 156 Ų | 156 | 140.9 Ų | 140.9 | 61% | 0.612 | 70% | 0.699 | S | S | * | * | trans | -81.4 | 74.2 | 179.1 | -149.8 | -95.3 | 0 | 0 | 0 | 111.4 | F49 D50 E52 P56 | F49-Y54 HydrophobicContact CE1-CD2 4.11Å; F49-Y54 HydrophobicContact CE1-CG 4Å; F49-Y54 HydrophobicContact CE2-CD2 4.19Å; F49-Y54 HydrophobicContact CE2-CE2 4.46Å; F49-Y54 HydrophobicContact CZ-CD1 4.45Å; F49-Y54 AromaticContact CZ-CD2 3.37Å; F49-Y54 HydrophobicContact CZ-CD2 3.37Å; F49-Y54 AromaticContact CZ-CE2 3.85Å; F49-Y54 HydrophobicContact CZ-CE2 3.85Å; F49-Y54 AromaticContact CZ-CG 3.69Å; F49-Y54 HydrophobicContact CZ-CG 3.69Å; D50-Y54 PolarHBondContact O-N 3.06Å; E52-Y54 VanDerWaalsContact C-N 3.26Å; E52-Y54 PolarHBondContact O-N 3.24Å; Y54-P56 WeakPolarHBondContact O-CD 3.37Å | ||
| 55 | Q | 50.1 | Low | 50.7 | Low | 166 Ų | 166 | 142.8 Ų | 142.8 | 78% | 0.776 | 70% | 0.695 | S | S | * | * | trans | -61.6 | 122.6 | 162.2 | -77.3 | -172.7 | 7.9 | 0 | 0 | 108 | A53 M57 | A53-Q55 VanDerWaalsContact C-N 3.3Å; A53-Q55 PolarHBondContact O-N 2.78Å; Q55-M57 PolarHBondContact O-N 2.7Å | ||
| 56 | P | 50.8 | Low | 50.3 | Low | 112 Ų | 112 | 144.1 Ų | 144.1 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | trans | -58.8 | 108.7 | 171.4 | 23.9 | -30.7 | 0 | 0 | 0 | 106.6 | Y54 Q58 | Y54-P56 WeakPolarHBondContact O-CD 3.37Å; P56-Q58 PolarHBondContact O-N 2.83Å | ||
| 57 | M | 48.4 | Very low | 49.9 | Very low | 168 Ų | 168 | 148 Ų | 148 | 83% | 0.828 | 73% | 0.733 | S | S | * | * | trans | -54.4 | 109.8 | 178.2 | -158 | 168.9 | -174.3 | 0 | 0 | 105.8 | Q55 Y59 | Q55-M57 PolarHBondContact O-N 2.7Å; M57-Y59 VanDerWaalsContact C-N 3.28Å; M57-Y59 WeakPolarHBondContact O-CD2 3.13Å; M57-Y59 PolarHBondContact O-N 3.21Å | ||
| 58 | Q | 48.3 | Very low | 49.4 | Very low | 171 Ų | 171 | 144.7 Ų | 144.7 | 80% | 0.799 | 71% | 0.711 | S | S | * | * | trans | -60.6 | 102.6 | -178.7 | -132.7 | 177.8 | 2.8 | 0 | 0 | 104.2 | P56 N60 | P56-Q58 PolarHBondContact O-N 2.83Å; Q58-N60 PolarHBondContact O-N 2.85Å | ||
| 59 | Y | 41.2 | Very low | 48.8 | Very low | 221 Ų | 221 | 141 Ų | 141 | 87% | 0.867 | 70% | 0.7 | S | S | * | * | trans | -62.3 | 94.3 | 168.3 | -81.5 | -89.1 | 0 | 0 | 0 | 103.6 | M57 S61 | M57-Y59 VanDerWaalsContact C-N 3.28Å; M57-Y59 WeakPolarHBondContact O-CD2 3.13Å; M57-Y59 PolarHBondContact O-N 3.21Å; Y59-S61 PolarHBondContact O-N 3.01Å | ||
| 60 | N | 43.8 | Very low | 48.1 | Very low | 126 Ų | 126 | 145.7 Ų | 145.7 | 67% | 0.674 | 72% | 0.721 | S | S | * | * | trans | -48.2 | 116.7 | 162.2 | -86.6 | -17.3 | 0 | 0 | 0 | 103.1 | Q58 M62 | Q58-N60 PolarHBondContact O-N 2.85Å; N60-M62 HydrophobicContact CB-CG 4.47Å; N60-M62 PolarHBondContact O-N 2.84Å | ||
| 61 | S | 48.8 | Very low | 47.4 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | trans | -66.7 | 71.5 | 167.5 | 60.5 | 0 | 0 | 0 | 0 | 105.1 | Y59 D63 | Y59-S61 PolarHBondContact O-N 3.01Å; S61-D63 VanDerWaalsContact C-N 3.28Å; S61-D63 PolarHBondContact O-N 2.97Å | ||
| 62 | M | 39.6 | Very low | 47.5 | Very low | 161 Ų | 161 | 140.2 Ų | 140.2 | 79% | 0.793 | 72% | 0.723 | S | S | * | * | trans | -51.5 | 111 | 161.2 | -79.3 | -71.5 | -116.9 | 0 | 0 | 102.9 | N60 R64 | N60-M62 HydrophobicContact CB-CG 4.47Å; N60-M62 PolarHBondContact O-N 2.84Å; M62-R64 PolarHBondContact O-N 3.48Å | ||
| 63 | D | 42.4 | Very low | 47 | Very low | 109 Ų | 109 | 142 Ų | 142 | 58% | 0.583 | 72% | 0.723 | S | S | * | * | trans | -44 | 106.9 | -168.7 | -163.2 | -4.4 | 0 | 0 | 0 | 108.4 | S61 R65 | S61-D63 VanDerWaalsContact C-N 3.28Å; S61-D63 PolarHBondContact O-N 2.97Å; D63-R65 PolarHBondContact O-N 2.73Å; D63-R65 WeakPolarHBondContact OD1-CB 3.46Å; D63-R65 WeakPolarHBondContact OD1-CD 3.47Å; D63-R65 WeakPolarHBondContact OD1-CG 3.45Å; D63-R65 IonicContact OD1-NE 3.62Å | ||
| 64 | R | 44.8 | Very low | 46.4 | Very low | 242 Ų | 242 | 141 Ų | 141 | 91% | 0.913 | 72% | 0.719 | S | S | * | * | trans | -64.6 | 1 | 179.6 | -75.7 | -175.6 | 170.6 | -176.5 | -1.8 | 111.8 | M62 S66 | M62-R64 PolarHBondContact O-N 3.48Å; R64-S66 PolarHBondContact O-N 2.95Å | ||
| 65 | R | 46.3 | Very low | 46.4 | Very low | 198 Ų | 198 | 141 Ų | 141 | 75% | 0.747 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -66.2 | 100.6 | 173 | -68.1 | 176 | -173.9 | -173.2 | -0.9 | 108.6 | D63 | D63-R65 PolarHBondContact O-N 2.73Å; D63-R65 WeakPolarHBondContact OD1-CB 3.46Å; D63-R65 WeakPolarHBondContact OD1-CD 3.47Å; D63-R65 WeakPolarHBondContact OD1-CG 3.45Å; D63-R65 IonicContact OD1-NE 3.62Å |
| 66 | S | 44.6 | Very low | 46.1 | Very low | 106 Ų | 106 | 141.8 Ų | 141.8 | 74% | 0.741 | 72% | 0.723 | S | S | * | * | trans | 71.6 | 79.8 | 164.6 | 71.4 | 0 | 0 | 0 | 0 | 115.6 | R64 G68 | R64-S66 PolarHBondContact O-N 2.95Å; S66-G68 PolarHBondContact O-N 2.78Å | ||
| 67 | V | 46.7 | Very low | 46 | Very low | 138 Ų | 138 | 140.1 Ų | 140.1 | 84% | 0.836 | 71% | 0.711 | S | S | * | * | trans | -62.7 | 96.9 | 137.6 | -158.7 | 0 | 0 | 0 | 0 | 104.6 | F69 | V67-F69 PolarHBondContact O-N 3.29Š| ||
| 68 | G | 47.5 | Very low | 46 | Very low | 50 Ų | 50 | 136.8 Ų | 136.8 | 52% | 0.515 | 70% | 0.702 | S | S | . | * | trans | -54.1 | 117.4 | -176 | 0 | 0 | 0 | 0 | 0 | 109.3 | S66 F70 | S66-G68 PolarHBondContact O-N 2.78Å; G68-F70 PolarHBondContact O-N 2.96Å | ||
| 69 | F | 47.6 | Very low | 46 | Very low | 130 Ų | 130 | 135 Ų | 135 | 57% | 0.57 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -67.2 | 14.3 | 178.1 | -113.7 | -81.6 | 0 | 0 | 0 | 113.9 | V67 F79 | V67-F69 PolarHBondContact O-N 3.29Å; F69-F79 AromaticContact CD1-CE2 3.93Å; F69-F79 HydrophobicContact CD1-CE2 3.93Å; F69-F79 AromaticContact CD1-CZ 3.74Å; F69-F79 HydrophobicContact CD1-CZ 3.74Å; F69-F79 HydrophobicContact CE1-CD1 4.5Å; F69-F79 HydrophobicContact CE1-CD2 4.45Å; F69-F79 AromaticContact CE1-CE1 3.58Å; F69-F79 HydrophobicContact CE1-CE1 3.58Å; F69-F79 AromaticContact CE1-CE2 3.51Å; F69-F79 HydrophobicContact CE1-CE2 3.51Å; F69-F79 AromaticContact CE1-CZ 3Å; F69-F79 HydrophobicContact CE1-CZ 3Å; F69-F79 HydrophobicContact CE2-CZ 4.46Å; F69-F79 AromaticContact CZ-CE1 3.68Å; F69-F79 HydrophobicContact CZ-CE1 3.68Å; F69-F79 HydrophobicContact CZ-CE2 4.37Å; F69-F79 AromaticContact CZ-CZ 3.44Å; F69-F79 HydrophobicContact CZ-CZ 3.44Å; F69-F79 VanDerWaalsContact CZ-CZ 3.44Å |
| 70 | F | 43.4 | Very low | 46.5 | Very low | 159 Ų | 159 | 133.5 Ų | 133.5 | 70% | 0.697 | 69% | 0.69 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -112.5 | 102.5 | -179.3 | -60.4 | -80.3 | 0 | 0 | 0 | 107.2 | G68 | G68-F70 PolarHBondContact O-N 2.96Å |
| 71 | G | 42.2 | Very low | 46.4 | Very low | 33 Ų | 33 | 130.7 Ų | 130.7 | 34% | 0.34 | 69% | 0.691 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -50.1 | 149.2 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | R73 G74 | G71-R73 CarbonylContact O-C 3.57Å; G71-R73 PolarHBondContact O-N 2.83Å; G71-G74 PolarHBondContact O-N 3.27Å |
| 72 | S | 54.9 | Low | 46.3 | Very low | 132 Ų | 132 | 129.4 Ų | 129.4 | 92% | 0.923 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45.7 | -1.9 | -168.1 | 52.1 | 0 | 0 | 0 | 0 | 118.8 | ||
| 73 | R | 51.2 | Low | 46.6 | Very low | 214 Ų | 214 | 133.3 Ų | 133.3 | 81% | 0.808 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.5 | 24 | 174.9 | -67.2 | -171.1 | 169.5 | -173.7 | -2.2 | 114.5 | G71 K75 | G71-R73 CarbonylContact O-C 3.57Å; G71-R73 PolarHBondContact O-N 2.83Å; R73-K75 HydrophobicContact CB-CG 4.43Å; R73-K75 PolarHBondContact O-N 3.31Å; R73-K75 VanDerWaalsContact O-N 3.07Å |
| 74 | G | 45.5 | Very low | 46.5 | Very low | 53 Ų | 53 | 131.8 Ų | 131.8 | 55% | 0.546 | 70% | 0.703 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 64.6 | 13.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G71 K76 | G71-G74 PolarHBondContact O-N 3.27Å; G74-K76 PolarHBondContact O-N 3.44Å |
| 75 | K | 46.5 | Very low | 46.6 | Very low | 157 Ų | 157 | 129.7 Ų | 129.7 | 68% | 0.683 | 70% | 0.7 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.8 | 113.2 | 175.1 | -69.1 | -168.3 | 177.8 | -174.6 | 0 | 107.8 | R73 V77 | R73-K75 HydrophobicContact CB-CG 4.43Å; R73-K75 PolarHBondContact O-N 3.31Å; R73-K75 VanDerWaalsContact O-N 3.07Å; K75-V77 PolarHBondContact O-N 3.33Å |
| 76 | K | 44.8 | Very low | 46.4 | Very low | 182 Ų | 182 | 131.6 Ų | 131.6 | 79% | 0.791 | 71% | 0.707 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -50.1 | 113.4 | 173 | -153 | 173.4 | -170.2 | 178.2 | 0 | 107.6 | G74 | G74-K76 PolarHBondContact O-N 3.44Å |
| 77 | V | 46.8 | Very low | 46.6 | Very low | 77 Ų | 77 | 133.5 Ų | 133.5 | 47% | 0.467 | 71% | 0.709 | S | S | . | * | trans | -62.1 | 125.2 | 175.7 | -172.4 | 0 | 0 | 0 | 0 | 105.8 | K75 F79 | K75-V77 PolarHBondContact O-N 3.33Å; V77-F79 PolarHBondContact O-N 3.39Å | ||
| 78 | P | 49.7 | Very low | 46.3 | Very low | 99 Ų | 99 | 134.9 Ų | 134.9 | 64% | 0.643 | 71% | 0.706 | S | S | * | * | trans | -58.7 | 111 | 177.5 | 22.9 | -31.1 | 0 | 0 | 0 | 107.5 | F80 | P78-F80 VanDerWaalsContact C-N 3.32Å; P78-F80 PolarHBondContact O-N 2.71Å | ||
| 79 | F | 47.9 | Very low | 46 | Very low | 133 Ų | 133 | 136.9 Ų | 136.9 | 58% | 0.583 | 70% | 0.703 | S | S | * | * | trans | -61.4 | 102.4 | 165.6 | -80.7 | -97.9 | 0 | 0 | 0 | 105.9 | F69 V77 G81 A82 | F69-F79 AromaticContact CD1-CE2 3.93Å; F69-F79 HydrophobicContact CD1-CE2 3.93Å; F69-F79 AromaticContact CD1-CZ 3.74Å; F69-F79 HydrophobicContact CD1-CZ 3.74Å; F69-F79 HydrophobicContact CE1-CD1 4.5Å; F69-F79 HydrophobicContact CE1-CD2 4.45Å; F69-F79 AromaticContact CE1-CE1 3.58Å; F69-F79 HydrophobicContact CE1-CE1 3.58Å; F69-F79 AromaticContact CE1-CE2 3.51Å; F69-F79 HydrophobicContact CE1-CE2 3.51Å; F69-F79 AromaticContact CE1-CZ 3Å; F69-F79 HydrophobicContact CE1-CZ 3Å; F69-F79 HydrophobicContact CE2-CZ 4.46Å; F69-F79 AromaticContact CZ-CE1 3.68Å; F69-F79 HydrophobicContact CZ-CE1 3.68Å; F69-F79 HydrophobicContact CZ-CE2 4.37Å; F69-F79 AromaticContact CZ-CZ 3.44Å; F69-F79 HydrophobicContact CZ-CZ 3.44Å; F69-F79 VanDerWaalsContact CZ-CZ 3.44Å; V77-F79 PolarHBondContact O-N 3.39Å; F79-G81 PolarHBondContact O-N 3.4Å; F79-A82 PolarHBondContact O-N 2.92Å | ||
| 80 | F | 51 | Low | 45.9 | Very low | 190 Ų | 190 | 137.5 Ų | 137.5 | 83% | 0.833 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | 87.7 | 157.3 | -80.7 | -91.2 | 0 | 0 | 0 | 106.4 | P78 L87 | P78-F80 VanDerWaalsContact C-N 3.32Å; P78-F80 PolarHBondContact O-N 2.71Å; F80-L87 HydrophobicContact CD1-CD2 4.48Å; F80-L87 HydrophobicContact CE1-CD2 4.43Å |
| 81 | G | 41.8 | Very low | 45.9 | Very low | 67 Ų | 67 | 134.2 Ų | 134.2 | 69% | 0.691 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 170.7 | -14.1 | -164.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F79 R83 | F79-G81 PolarHBondContact O-N 3.4Å; G81-R83 VanDerWaalsContact C-N 3.25Å; G81-R83 PolarHBondContact O-N 2.92Å |
| 82 | A | 47.5 | Very low | 45.9 | Very low | 87 Ų | 87 | 136.3 Ų | 136.3 | 72% | 0.719 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -63.7 | 91.5 | 157.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | F79 | F79-A82 PolarHBondContact O-N 2.92Š|
| 83 | R | 45.2 | Very low | 44.9 | Very low | 243 Ų | 243 | 133.8 Ų | 133.8 | 92% | 0.917 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 42.3 | 89.4 | 158.8 | -156.4 | 176 | -172.3 | -178.6 | 1.8 | 115.4 | G81 K85 | G81-R83 VanDerWaalsContact C-N 3.25Å; G81-R83 PolarHBondContact O-N 2.92Å; R83-K85 PolarHBondContact O-N 2.73Å |
| 84 | G | 39.9 | Very low | 44.5 | Very low | 77 Ų | 77 | 132.7 Ų | 132.7 | 79% | 0.794 | 70% | 0.702 | S | S | * | * | trans | 78.4 | 12 | 143.9 | 0 | 0 | 0 | 0 | 0 | 119 | R86 | G84-R86 PolarHBondContact O-N 2.74Š| ||
| 85 | K | 48.9 | Very low | 44.2 | Very low | 198 Ų | 198 | 134.6 Ų | 134.6 | 86% | 0.861 | 71% | 0.707 | S | S | * | * | trans | -76.6 | 84.6 | 157.5 | -68.7 | -161.1 | -180 | -172.6 | 0 | 108.2 | R83 L87 | R83-K85 PolarHBondContact O-N 2.73Å; K85-L87 PolarHBondContact O-N 2.88Å | ||
| 86 | R | 41 | Very low | 43.6 | Very low | 238 Ų | 238 | 135.8 Ų | 135.8 | 90% | 0.898 | 71% | 0.708 | S | S | * | * | trans | -45 | 125.1 | 158.7 | -101.5 | 174.8 | 158.9 | 170.4 | -7.2 | 106 | G84 Q88 | G84-R86 PolarHBondContact O-N 2.74Å; R86-Q88 PolarHBondContact O-N 3.28Å | ||
| 87 | L | 48.7 | Very low | 42.9 | Very low | 147 Ų | 147 | 130.8 Ų | 130.8 | 77% | 0.77 | 69% | 0.688 | S | S | * | * | trans | -48.6 | 113.2 | 168.3 | -70.2 | 165.2 | 0 | 0 | 0 | 105.8 | F80 K85 M89 | F80-L87 HydrophobicContact CD1-CD2 4.48Å; F80-L87 HydrophobicContact CE1-CD2 4.43Å; K85-L87 PolarHBondContact O-N 2.88Å; L87-M89 PolarHBondContact O-N 3Å; L87-M89 VanDerWaalsContact O-N 3.07Å | ||
| 88 | Q | 40.8 | Very low | 42.5 | Very low | 166 Ų | 166 | 131.1 Ų | 131.1 | 78% | 0.776 | 70% | 0.698 | S | S | * | * | trans | -54.8 | 119.2 | 172.2 | -86.2 | 174.6 | -26.4 | 0 | 0 | 105.6 | R86 D90 | R86-Q88 PolarHBondContact O-N 3.28Å; Q88-D90 PolarHBondContact O-N 2.8Å; Q88-D90 VanDerWaalsContact O-N 3.09Å | ||
| 89 | M | 41.2 | Very low | 41.8 | Very low | 92 Ų | 92 | 133 Ų | 133 | 45% | 0.453 | 70% | 0.703 | S | S | . | * | G | 310 helix | trans | -72.3 | 2.3 | -176.5 | -141.2 | -167.7 | 172 | 0 | 0 | 111.8 | L87 A91 I92 Q97 | L87-M89 PolarHBondContact O-N 3Å; L87-M89 VanDerWaalsContact O-N 3.07Å; M89-A91 VanDerWaalsContact C-N 3.25Å; M89-A91 PolarHBondContact O-N 2.82Å; M89-I92 HydrophobicContact CE-CD1 4.36Å; M89-I92 HydrophobicContact CG-CD1 4.25Å; M89-Q97 HydrophobicContact CE-CB 4.41Å; M89-Q97 HydrophobicContact CE-CG 3.92Å; M89-Q97 PolarHBondContact O-NE2 3.05Å |
| 90 | D | 45.8 | Very low | 41 | Very low | 144 Ų | 144 | 130.4 Ų | 130.4 | 77% | 0.77 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -82.1 | 4.7 | -164.3 | -52.2 | -29.6 | 0 | 0 | 0 | 114.1 | Q88 | Q88-D90 PolarHBondContact O-N 2.8Å; Q88-D90 VanDerWaalsContact O-N 3.09Å |
| 91 | A | 43.2 | Very low | 40.1 | Very low | 90 Ų | 90 | 130.7 Ų | 130.7 | 74% | 0.744 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -131.3 | 12.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | M89 P93 | M89-A91 VanDerWaalsContact C-N 3.25Å; M89-A91 PolarHBondContact O-N 2.82Å; A91-P93 VanDerWaalsContact O-CD 3.29Å; A91-P93 WeakPolarHBondContact O-CD 3.23Å |
| 92 | I | 41.6 | Very low | 39.8 | Very low | 76 Ų | 76 | 133.2 Ų | 133.2 | 39% | 0.39 | 71% | 0.712 | S | S | . | * | S | Bend | trans | -77.9 | 115 | 162.7 | -54.2 | 172.3 | 0 | 0 | 0 | 105.3 | M89 E94 Q97 | M89-I92 HydrophobicContact CE-CD1 4.36Å; M89-I92 HydrophobicContact CG-CD1 4.25Å; I92-E94 PolarHBondContact O-N 3.25Å; I92-Q97 HydrophobicContact CB-CG 3.54Å; I92-Q97 HydrophobicContact CD1-CG 4.06Å; I92-Q97 HydrophobicContact CG1-CG 4.39Å; I92-Q97 HydrophobicContact CG2-CB 4.42Å; I92-Q97 HydrophobicContact CG2-CG 3.45Å; I92-Q97 VanDerWaalsContact CG2-CG 3.45Å |
| 93 | P | 33 | Very low | 39.1 | Very low | 80 Ų | 80 | 138.7 Ų | 138.7 | 52% | 0.519 | 72% | 0.72 | S | S | . | * | trans | -52.6 | 134 | 174.7 | 22 | -31.5 | 0 | 0 | 0 | 108.2 | A91 S95 Y96 | A91-P93 VanDerWaalsContact O-CD 3.29Å; A91-P93 WeakPolarHBondContact O-CD 3.23Å; P93-S95 PolarHBondContact O-N 3.35Å; P93-Y96 HydrophobicContact CG-CD2 4.46Å; P93-Y96 PolarHBondContact O-N 3.18Å | ||
| 94 | E | 43.2 | Very low | 38.6 | Very low | 191 Ų | 191 | 134.4 Ų | 134.4 | 89% | 0.893 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.5 | -19.5 | -173.4 | -72.9 | 174.1 | 149.5 | 0 | 0 | 113.5 | I92 Y96 | I92-E94 PolarHBondContact O-N 3.25Å; E94-Y96 VanDerWaalsContact C-N 3.3Å; E94-Y96 PolarHBondContact O-N 3.3Å |
| 95 | S | 38.9 | Very low | 38.1 | Very low | 92 Ų | 92 | 133.1 Ų | 133.1 | 64% | 0.643 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -17.9 | 174.2 | 53.4 | 0 | 0 | 0 | 0 | 115.4 | P93 | P93-S95 PolarHBondContact O-N 3.35Š|
| 96 | Y | 34.6 | Very low | 37.1 | Very low | 183 Ų | 183 | 129.3 Ų | 129.3 | 72% | 0.718 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.7 | 3.6 | -174 | -78.5 | -82.8 | 0 | 0 | 0 | 114.8 | P93 E94 A98 | P93-Y96 HydrophobicContact CG-CD2 4.46Å; P93-Y96 PolarHBondContact O-N 3.18Å; E94-Y96 VanDerWaalsContact C-N 3.3Å; E94-Y96 PolarHBondContact O-N 3.3Å; Y96-A98 PolarHBondContact O-N 3.29Å |
| 97 | Q | 29.9 | Very low | 36.5 | Very low | 77 Ų | 77 | 121.5 Ų | 121.5 | 36% | 0.36 | 68% | 0.676 | S | S | . | * | trans | -74.2 | 49.7 | 160.4 | -65.3 | -166.1 | 14.3 | 0 | 0 | 110.5 | M89 I92 D99 | M89-Q97 HydrophobicContact CE-CB 4.41Å; M89-Q97 HydrophobicContact CE-CG 3.92Å; M89-Q97 PolarHBondContact O-NE2 3.05Å; I92-Q97 HydrophobicContact CB-CG 3.54Å; I92-Q97 HydrophobicContact CD1-CG 4.06Å; I92-Q97 HydrophobicContact CG1-CG 4.39Å; I92-Q97 HydrophobicContact CG2-CB 4.42Å; I92-Q97 HydrophobicContact CG2-CG 3.45Å; I92-Q97 VanDerWaalsContact CG2-CG 3.45Å; Q97-D99 PolarHBondContact O-N 3.24Å | ||
| 98 | A | 38.8 | Very low | 35.5 | Very low | 84 Ų | 84 | 122 Ų | 122 | 69% | 0.694 | 68% | 0.675 | S | S | * | * | trans | -77.4 | 99.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 105.6 | Y96 G100 | Y96-A98 PolarHBondContact O-N 3.29Å; A98-G100 PolarHBondContact O-N 3.3Å | ||
| 99 | D | 35.2 | Very low | 35.2 | Very low | 139 Ų | 139 | 119.9 Ų | 119.9 | 74% | 0.743 | 68% | 0.675 | S | S | * | * | trans | -43.5 | 98.1 | 170 | -79.7 | -45.7 | 0 | 0 | 0 | 110.6 | Q97 K101 | Q97-D99 PolarHBondContact O-N 3.24Å; D99-K101 PolarHBondContact O-N 2.98Å | ||
| 100 | G | 30.8 | Very low | 34.7 | Very low | 78 Ų | 78 | 124 Ų | 124 | 80% | 0.804 | 69% | 0.691 | S | S | * | * | S | Bend | 54.4 | 2.2 | 110.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | A98 | A98-G100 PolarHBondContact O-N 3.3Š| |
| 101 | K | 32.8 | Very low | 33.9 | Very low | 195 Ų | 195 | 119.5 Ų | 119.5 | 85% | 0.848 | 67% | 0.67 | S | S | * | * | trans | -154.2 | 40.7 | 179.3 | -67.3 | -166.2 | -178.8 | 179.6 | 0 | 114.1 | D99 | D99-K101 PolarHBondContact O-N 2.98Š| ||
| 102 | N | 35.1 | Very low | 33.3 | Very low | 121 Ų | 121 | 117.2 Ų | 117.2 | 65% | 0.647 | 66% | 0.655 | S | S | * | * | trans | -115.9 | 63.6 | 174 | -92.5 | -14.7 | 0 | 0 | 0 | 112.4 | A105 | N102-A105 WeakPolarHBondContact OD1-CB 3.46Š| ||
| 103 | K | 33 | Very low | 32.9 | Very low | 202 Ų | 202 | 115.7 Ų | 115.7 | 88% | 0.878 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -91.8 | -23.2 | 166.3 | -72.2 | -162.9 | 177.4 | -174.7 | 0 | 114.1 | ||
| 104 | N | 33.1 | Very low | 33.2 | Very low | 152 Ų | 152 | 116.5 Ų | 116.5 | 81% | 0.813 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -127.9 | 10.4 | -177.8 | -63.7 | -7.3 | 0 | 0 | 0 | 114.1 | S106 | N104-S106 PolarHBondContact O-N 3.21Š|
| 105 | A | 30.2 | Very low | 32.9 | Very low | 51 Ų | 51 | 112.8 Ų | 112.8 | 42% | 0.421 | 64% | 0.638 | S | S | . | * | trans | -78.9 | 79.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | N102 C107 | N102-A105 WeakPolarHBondContact OD1-CB 3.46Å; A105-C107 VanDerWaalsContact CB-SG 3.5Å; A105-C107 PolarHBondContact O-N 3.4Å | ||
| 106 | S | 28.8 | Very low | 32.9 | Very low | 117 Ų | 117 | 110.4 Ų | 110.4 | 82% | 0.818 | 62% | 0.622 | S | S | * | * | trans | -62.3 | 73.2 | 144.8 | 55.7 | 0 | 0 | 0 | 0 | 105.9 | N104 H108 | N104-S106 PolarHBondContact O-N 3.21Å; S106-H108 VanDerWaalsContact C-N 3.35Å; S106-H108 PolarHBondContact O-N 3.16Å | ||
| 107 | C | 26.8 | Very low | 33.1 | Very low | 74 Ų | 74 | 106 Ų | 106 | 50% | 0.5 | 62% | 0.616 | S | S | . | * | trans | -58.9 | 105.8 | 171.3 | -71.2 | 0 | 0 | 0 | 0 | 104.8 | A105 P109 | A105-C107 VanDerWaalsContact CB-SG 3.5Å; A105-C107 PolarHBondContact O-N 3.4Å; C107-P109 WeakPolarHBondContact O-CD 3.4Å; C107-P109 VanDerWaalsContact O-N 3.11Å | ||
| 108 | H | 29.1 | Very low | 33.6 | Very low | 159 Ų | 159 | 108.7 Ų | 108.7 | 74% | 0.736 | 63% | 0.628 | S | S | * | * | trans | -45.6 | 122 | 148.2 | -120.8 | -89.9 | 0 | 0 | 0 | 105.2 | S106 F110 C111 | S106-H108 VanDerWaalsContact C-N 3.35Å; S106-H108 PolarHBondContact O-N 3.16Å; H108-F110 PolarHBondContact O-N 2.67Å; H108-C111 PolarHBondContact O-N 3.34Å; H108-C111 VanDerWaalsContact O-N 3.16Å | ||
| 109 | P | 33.5 | Very low | 33.4 | Very low | 120 Ų | 120 | 107.1 Ų | 107.1 | 78% | 0.779 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | 5.3 | -160.7 | 17.5 | -30.2 | 0 | 0 | 0 | 115.6 | C107 | C107-P109 WeakPolarHBondContact O-CD 3.4Å; C107-P109 VanDerWaalsContact O-N 3.11Å |
| 110 | F | 30.6 | Very low | 33.4 | Very low | 180 Ų | 180 | 103.4 Ų | 103.4 | 79% | 0.789 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.3 | 0.9 | -179.3 | -101.3 | -86.2 | 0 | 0 | 0 | 116.9 | H108 | H108-F110 PolarHBondContact O-N 2.67Š|
| 111 | C | 28.8 | Very low | 33.3 | Very low | 48 Ų | 48 | 101.7 Ų | 101.7 | 32% | 0.324 | 58% | 0.576 | S | S | . | * | trans | -122 | 96.1 | 175.5 | -92.3 | 0 | 0 | 0 | 0 | 111.6 | H108 A113 C135 | H108-C111 PolarHBondContact O-N 3.34Å; H108-C111 VanDerWaalsContact O-N 3.16Å; C111-A113 PolarHBondContact O-N 2.99Å; C111-C135 HydrophobicContact CB-CB 4.3Å; C111-C135 WeakPolarHBondContact CB-SG 3.14Å; C111-C135 WeakPolarHBondContact SG-CB 3.28Å; C111-C135 CovalentContact SG-SG 2.07Å; C111-C135 PolarHBondContact SG-SG 2.81Å | ||
| 112 | G | 30.9 | Very low | 33.1 | Very low | 43 Ų | 43 | 102 Ų | 102 | 44% | 0.443 | 57% | 0.572 | S | S | . | * | trans | -68.9 | 87.1 | 156.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | I114 M136 | G112-I114 PolarHBondContact O-N 2.8Å; G112-M136 WeakPolarHBondContact O-CG 3.32Å | ||
| 113 | A | 33.9 | Very low | 33.1 | Very low | 43 Ų | 43 | 99 Ų | 99 | 36% | 0.355 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.2 | 109.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | C111 L115 T134 L141 | C111-A113 PolarHBondContact O-N 2.99Å; A113-L115 PolarHBondContact O-N 3.05Å; A113-T134 WeakPolarHBondContact CA-O 3.15Å; A113-L141 HydrophobicContact CB-CD1 4.26Å |
| 114 | I | 39.1 | Very low | 33.3 | Very low | 97 Ų | 97 | 98.6 Ų | 98.6 | 50% | 0.497 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.3 | 113.6 | 176.2 | -63.6 | 170.4 | 0 | 0 | 0 | 107.3 | G112 S116 T134 M136 | G112-I114 PolarHBondContact O-N 2.8Å; I114-S116 PolarHBondContact O-N 2.85Å; I114-T134 PolarHBondContact N-O 2.86Å; I114-M136 HydrophobicContact CD1-CG 4.45Å; I114-M136 HydrophobicContact CD1-SD 3.73Å |
| 115 | L | 37.1 | Very low | 33.4 | Very low | 113 Ų | 113 | 94.5 Ų | 94.5 | 59% | 0.592 | 55% | 0.552 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73.9 | 97.7 | 173.6 | -82.4 | 148.8 | 0 | 0 | 0 | 109.3 | A113 Y131 Y133 | A113-L115 PolarHBondContact O-N 3.05Å; L115-Y131 HydrophobicContact CD2-CD1 4.43Å; L115-Y133 HydrophobicContact CD2-CD1 4.41Å; L115-Y133 HydrophobicContact CD2-CE1 3.89Å |
| 116 | S | 39.3 | Very low | 33.5 | Very low | 43 Ų | 43 | 96 Ų | 96 | 30% | 0.301 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106 | 117.1 | 168.3 | 60.7 | 0 | 0 | 0 | 0 | 110.1 | I114 Q118 | I114-S116 PolarHBondContact O-N 2.85Å; S116-Q118 PolarHBondContact O-N 2.75Å |
| 117 | P | 37.9 | Very low | 34 | Very low | 91 Ų | 91 | 94.6 Ų | 94.6 | 59% | 0.591 | 54% | 0.536 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65 | 121.9 | 167.7 | 26.5 | -30.5 | 0 | 0 | 0 | 108.4 | I129 Y131 | P117-I129 HydrophobicContact CB-CG2 4.34Å; P117-Y131 HydrophobicContact CB-CD1 4.33Å; P117-Y131 HydrophobicContact CB-CE1 4.16Å |
| 118 | Q | 41.3 | Very low | 34.6 | Very low | 132 Ų | 132 | 94.3 Ų | 94.3 | 62% | 0.617 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.2 | -37.5 | -179.1 | -84.2 | -169.7 | 3.6 | 0 | 0 | 112.7 | S116 H130 T132 | S116-Q118 PolarHBondContact O-N 2.75Å; Q118-H130 PolarHBondContact N-O 2.96Å; Q118-T132 VanDerWaalsContact CG-OG1 3.29Å; Q118-T132 WeakPolarHBondContact CG-OG1 3.2Å; Q118-T132 PolarHBondContact NE2-OG1 2.94Å |
| 119 | S | 34.3 | Very low | 35.2 | Very low | 52 Ų | 52 | 89.2 Ų | 89.2 | 36% | 0.364 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 140.9 | -179.6 | 54.3 | 0 | 0 | 0 | 0 | 111.1 | H130 | S119-H130 PolarHBondContact O-N 2.86Å |
| 120 | A | 34.7 | Very low | 35.6 | Very low | 61 Ų | 61 | 87.3 Ų | 87.3 | 50% | 0.504 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 111 | 164.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | L127 E128 I129 | A120-L127 HydrophobicContact CB-CD2 4.4Å; A120-L127 HydrophobicContact CB-CG 4.44Å; A120-E128 WeakPolarHBondContact CA-O 3.39Å; A120-I129 HydrophobicContact CB-CG1 4.34Å |
| 121 | C | 29.1 | Very low | 36.1 | Very low | 42 Ų | 42 | 82 Ų | 82 | 28% | 0.284 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 132.2 | 173.3 | -75.1 | 0 | 0 | 0 | 0 | 108.3 | E128 | C121-E128 PolarHBondContact N-O 2.89Å; C121-E128 PolarHBondContact O-N 3.02Å |
| 122 | R | 28.6 | Very low | 36.6 | Very low | 202 Ų | 202 | 81.7 Ų | 81.7 | 76% | 0.762 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100 | 91.7 | 173.9 | -139.4 | 174.4 | -165.1 | -164 | 4.5 | 108.4 | L126 L127 | R122-L126 CarbonylContact C-O 3.59Å; R122-L126 VanDerWaalsContact CA-O 3.29Å; R122-L126 WeakPolarHBondContact CA-O 3.29Å; R122-L127 HydrophobicContact CG-CD1 4.13Å |
| 123 | T | 36 | Very low | 37 | Very low | 56 Ų | 56 | 82.6 Ų | 82.6 | 34% | 0.344 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 123.2 | 179 | 29.4 | 0 | 0 | 0 | 0 | 108.4 | G125 L126 E128 | T123-G125 PolarHBondContact O-N 3.11Å; T123-G125 VanDerWaalsContact O-N 3.1Å; T123-L126 PolarHBondContact N-O 3.36Å; T123-L126 PolarHBondContact O-N 2.92Å; T123-E128 PolarHBondContact OG1-OE2 3.1Å; T123-E128 VanDerWaalsContact OG1-OE2 3.11Å |
| 124 | H | 36.9 | Very low | 37 | Very low | 195 Ų | 195 | 83 Ų | 83 | 90% | 0.903 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 30.9 | 175.8 | -58.9 | -84 | 0 | 0 | 0 | 115.9 | L126 | H124-L126 VanDerWaalsContact C-N 3.26Å; H124-L126 PolarHBondContact O-N 3.45Å |
| 125 | G | 34.3 | Very low | 36.8 | Very low | 65 Ų | 65 | 79 Ų | 79 | 67% | 0.67 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | -3.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T123 | T123-G125 PolarHBondContact O-N 3.11Å; T123-G125 VanDerWaalsContact O-N 3.1Å |
| 126 | L | 32.6 | Very low | 36.8 | Very low | 82 Ų | 82 | 80.4 Ų | 80.4 | 43% | 0.429 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 142.3 | 173.2 | -62.3 | 171.8 | 0 | 0 | 0 | 109.8 | R122 T123 H124 | R122-L126 CarbonylContact C-O 3.59Å; R122-L126 VanDerWaalsContact CA-O 3.29Å; R122-L126 WeakPolarHBondContact CA-O 3.29Å; T123-L126 PolarHBondContact N-O 3.36Å; T123-L126 PolarHBondContact O-N 2.92Å; H124-L126 VanDerWaalsContact C-N 3.26Å; H124-L126 PolarHBondContact O-N 3.45Å |
| 127 | L | 39.9 | Very low | 36.9 | Very low | 88 Ų | 88 | 84.6 Ų | 84.6 | 46% | 0.461 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 103.6 | 178.8 | -161 | 111.2 | 0 | 0 | 0 | 108.1 | A120 R122 I129 | A120-L127 HydrophobicContact CB-CD2 4.4Å; A120-L127 HydrophobicContact CB-CG 4.44Å; R122-L127 HydrophobicContact CG-CD1 4.13Å; L127-I129 HydrophobicContact CD2-CD1 3.8Å; L127-I129 HydrophobicContact CD2-CG1 3.66Å |
| 128 | E | 38.3 | Very low | 36.8 | Very low | 68 Ų | 68 | 83.4 Ų | 83.4 | 32% | 0.318 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 113.8 | 173.8 | -72.5 | 179.3 | 156 | 0 | 0 | 108.4 | A120 C121 T123 | A120-E128 WeakPolarHBondContact CA-O 3.39Å; C121-E128 PolarHBondContact N-O 2.89Å; C121-E128 PolarHBondContact O-N 3.02Å; T123-E128 PolarHBondContact OG1-OE2 3.1Å; T123-E128 VanDerWaalsContact OG1-OE2 3.11Å |
| 129 | I | 43.2 | Very low | 36.5 | Very low | 52 Ų | 52 | 84 Ų | 84 | 27% | 0.267 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 117.2 | 175.4 | -54.7 | 173.9 | 0 | 0 | 0 | 107.8 | P117 A120 L127 Y131 | P117-I129 HydrophobicContact CB-CG2 4.34Å; A120-I129 HydrophobicContact CB-CG1 4.34Å; L127-I129 HydrophobicContact CD2-CD1 3.8Å; L127-I129 HydrophobicContact CD2-CG1 3.66Å; I129-Y131 HydrophobicContact CB-CE2 4.04Å; I129-Y131 HydrophobicContact CG2-CD1 4.35Å; I129-Y131 HydrophobicContact CG2-CD2 4.32Å; I129-Y131 HydrophobicContact CG2-CE1 3.78Å; I129-Y131 HydrophobicContact CG2-CE2 3.76Å; I129-Y131 VanDerWaalsContact CG2-CZ 3.45Å |
| 130 | H | 40.4 | Very low | 36.5 | Very low | 81 Ų | 81 | 85.7 Ų | 85.7 | 38% | 0.375 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 116 | 172.6 | -86.2 | -99.6 | 0 | 0 | 0 | 109.9 | Q118 S119 | Q118-H130 PolarHBondContact N-O 2.96Å; S119-H130 PolarHBondContact O-N 2.86Å |
| 131 | Y | 41 | Very low | 36.6 | Very low | 67 Ų | 67 | 85.9 Ų | 85.9 | 26% | 0.263 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 137.7 | 168.3 | -57.4 | -79.5 | 0 | 0 | 0 | 109.1 | L115 P117 I129 | L115-Y131 HydrophobicContact CD2-CD1 4.43Å; P117-Y131 HydrophobicContact CB-CD1 4.33Å; P117-Y131 HydrophobicContact CB-CE1 4.16Å; I129-Y131 HydrophobicContact CB-CE2 4.04Å; I129-Y131 HydrophobicContact CG2-CD1 4.35Å; I129-Y131 HydrophobicContact CG2-CD2 4.32Å; I129-Y131 HydrophobicContact CG2-CE1 3.78Å; I129-Y131 HydrophobicContact CG2-CE2 3.76Å; I129-Y131 VanDerWaalsContact CG2-CZ 3.45Å |
| 132 | T | 39.3 | Very low | 36.9 | Very low | 43 Ų | 43 | 95 Ų | 95 | 26% | 0.264 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 133.3 | 164.5 | 40 | 0 | 0 | 0 | 0 | 107.5 | Q118 | Q118-T132 VanDerWaalsContact CG-OG1 3.29Å; Q118-T132 WeakPolarHBondContact CG-OG1 3.2Å; Q118-T132 PolarHBondContact NE2-OG1 2.94Å |
| 133 | Y | 39.3 | Very low | 37.4 | Very low | 61 Ų | 61 | 90.1 Ų | 90.1 | 24% | 0.239 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 123.9 | 176.9 | -62.9 | -88.6 | 0 | 0 | 0 | 107.3 | L115 P140 L141 D143 T145 | L115-Y133 HydrophobicContact CD2-CD1 4.41Å; L115-Y133 HydrophobicContact CD2-CE1 3.89Å; Y133-P140 CarbonylContact O-C 3.51Å; Y133-P140 WeakPolarHBondContact O-CA 3.16Å; Y133-L141 HydrophobicContact CG-CB 4.28Å; Y133-L141 PolarHBondContact O-N 3.05Å; Y133-D143 HydrophobicContact CD2-CB 4.4Å; Y133-D143 VanDerWaalsContact CD2-O 3.32Å; Y133-D143 WeakPolarHBondContact CD2-O 3.29Å; Y133-D143 HydrophobicContact CE2-CB 4.4Å; Y133-D143 WeakPolarHBondContact CE2-O 3.36Å; Y133-T145 PolarHBondContact OH-OG1 2.88Å |
| 134 | T | 35 | Very low | 37.3 | Very low | 51 Ų | 51 | 93.1 Ų | 93.1 | 31% | 0.313 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 120.9 | 168.9 | 48.9 | 0 | 0 | 0 | 0 | 107.6 | A113 I114 | A113-T134 WeakPolarHBondContact CA-O 3.15Å; I114-T134 PolarHBondContact N-O 2.86Å |
| 135 | C | 34.3 | Very low | 37.4 | Very low | 13 Ų | 13 | 87.2 Ų | 87.2 | 9% | 0.088 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 145.6 | 163.5 | -81.7 | 0 | 0 | 0 | 0 | 107.6 | C111 N137 G138 E139 L141 | C111-C135 HydrophobicContact CB-CB 4.3Å; C111-C135 WeakPolarHBondContact CB-SG 3.14Å; C111-C135 WeakPolarHBondContact SG-CB 3.28Å; C111-C135 CovalentContact SG-SG 2.07Å; C111-C135 PolarHBondContact SG-SG 2.81Å; C135-N137 PolarHBondContact O-N 3.35Å; C135-G138 PolarHBondContact O-N 2.07Å; C135-E139 PolarHBondContact N-O 3.08Å; C135-E139 VanDerWaalsContact N-O 3.07Å; C135-L141 WeakPolarHBondContact SG-CD1 3.47Å |
| 136 | M | 37.9 | Very low | 37.5 | Very low | 143 Ų | 143 | 88.5 Ų | 88.5 | 70% | 0.704 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -12.5 | 177.1 | -73.7 | -95.9 | -95.4 | 0 | 0 | 114.6 | G112 I114 G138 | G112-M136 WeakPolarHBondContact O-CG 3.32Å; I114-M136 HydrophobicContact CD1-CG 4.45Å; I114-M136 HydrophobicContact CD1-SD 3.73Å; M136-G138 PolarHBondContact O-N 3.07Å |
| 137 | N | 41.1 | Very low | 37.6 | Very low | 132 Ų | 132 | 91.7 Ų | 91.7 | 71% | 0.706 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | 6.7 | 171.5 | -66.3 | -8.2 | 0 | 0 | 0 | 113.9 | C135 E139 | C135-N137 PolarHBondContact O-N 3.35Å; N137-E139 PolarHBondContact O-N 2.93Å |
| 138 | G | 34.8 | Very low | 37 | Very low | 65 Ų | 65 | 97.8 Ų | 97.8 | 67% | 0.67 | 50% | 0.501 | S | S | * | . | S | Bend | trans | 78.5 | 2.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | C135 M136 | C135-G138 PolarHBondContact O-N 2.07Å; M136-G138 PolarHBondContact O-N 3.07Å |
| 139 | E | 35 | Very low | 36.8 | Very low | 144 Ų | 144 | 98.3 Ų | 98.3 | 67% | 0.673 | 52% | 0.517 | S | S | * | . | trans | -87.3 | 125.9 | 176.5 | -71.8 | -106.2 | 134 | 0 | 0 | 110.2 | C135 N137 L141 | C135-E139 PolarHBondContact N-O 3.08Å; C135-E139 VanDerWaalsContact N-O 3.07Å; N137-E139 PolarHBondContact O-N 2.93Å; E139-L141 PolarHBondContact O-N 3.19Å | ||
| 140 | P | 33.9 | Very low | 36.2 | Very low | 88 Ų | 88 | 102.6 Ų | 102.6 | 57% | 0.571 | 57% | 0.574 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -71.6 | 118.7 | 172.9 | 28.1 | -31.2 | 0 | 0 | 0 | 109.8 | Y133 R142 | Y133-P140 CarbonylContact O-C 3.51Å; Y133-P140 WeakPolarHBondContact O-CA 3.16Å; P140-R142 PolarHBondContact O-N 3.4Å |
| 141 | L | 37.2 | Very low | 35.9 | Very low | 66 Ų | 66 | 103.7 Ų | 103.7 | 35% | 0.346 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -66.6 | 112 | 168.9 | -106.4 | 147.7 | 0 | 0 | 0 | 107.5 | A113 Y133 C135 E139 D143 | A113-L141 HydrophobicContact CB-CD1 4.26Å; Y133-L141 HydrophobicContact CG-CB 4.28Å; Y133-L141 PolarHBondContact O-N 3.05Å; C135-L141 WeakPolarHBondContact SG-CD1 3.47Å; E139-L141 PolarHBondContact O-N 3.19Å; L141-D143 PolarHBondContact O-N 2.7Å |
| 142 | R | 35.9 | Very low | 35.7 | Very low | 233 Ų | 233 | 105.6 Ų | 105.6 | 88% | 0.879 | 60% | 0.601 | S | S | * | * | trans | -76.5 | 59.4 | 179.6 | -70.9 | -176.6 | 172.7 | -177.2 | -0.8 | 111.8 | P140 | P140-R142 PolarHBondContact O-N 3.4Š| ||
| 143 | D | 39 | Very low | 35.5 | Very low | 100 Ų | 100 | 109.1 Ų | 109.1 | 54% | 0.535 | 62% | 0.62 | S | S | . | * | trans | -122.2 | 88.2 | 168.9 | -74.6 | -33.8 | 0 | 0 | 0 | 108.7 | Y133 L141 T145 | Y133-D143 HydrophobicContact CD2-CB 4.4Å; Y133-D143 VanDerWaalsContact CD2-O 3.32Å; Y133-D143 WeakPolarHBondContact CD2-O 3.29Å; Y133-D143 HydrophobicContact CE2-CB 4.4Å; Y133-D143 WeakPolarHBondContact CE2-O 3.36Å; L141-D143 PolarHBondContact O-N 2.7Å; D143-T145 VanDerWaalsContact C-N 3.32Å; D143-T145 PolarHBondContact O-N 2.9Å; D143-T145 VanDerWaalsContact O-N 3.08Å | ||
| 144 | T | 34.8 | Very low | 35.3 | Very low | 118 Ų | 118 | 111.9 Ų | 111.9 | 72% | 0.724 | 64% | 0.642 | S | S | * | * | trans | -75.7 | 87.1 | 168.4 | 44.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 145 | T | 37.3 | Very low | 35.3 | Very low | 72 Ų | 72 | 115.7 Ų | 115.7 | 44% | 0.442 | 66% | 0.662 | S | S | . | * | trans | -87.9 | 101.3 | 166.7 | 40.1 | 0 | 0 | 0 | 0 | 108.6 | Y133 D143 E147 | Y133-T145 PolarHBondContact OH-OG1 2.88Å; D143-T145 VanDerWaalsContact C-N 3.32Å; D143-T145 PolarHBondContact O-N 2.9Å; D143-T145 VanDerWaalsContact O-N 3.08Å; T145-E147 PolarHBondContact O-N 2.84Å | ||
| 146 | S | 36.7 | Very low | 35.3 | Very low | 92 Ų | 92 | 122.5 Ų | 122.5 | 64% | 0.643 | 70% | 0.701 | S | S | * | * | trans | -79.2 | 107 | 168.9 | 60.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 147 | E | 35.1 | Very low | 35.2 | Very low | 149 Ų | 149 | 121.1 Ų | 121.1 | 70% | 0.696 | 70% | 0.7 | S | S | * | * | trans | -82.2 | 117.7 | 170.1 | -76.3 | -174.2 | 140.9 | 0 | 0 | 109.8 | T145 A149 | T145-E147 PolarHBondContact O-N 2.84Å; E147-A149 PolarHBondContact O-N 2.93Å | ||
| 148 | R | 27.7 | Very low | 34.7 | Very low | 216 Ų | 216 | 120.2 Ų | 120.2 | 82% | 0.815 | 70% | 0.7 | S | S | * | * | trans | -86.4 | 98.9 | 175.5 | -139 | -179.6 | -163.8 | -175.1 | 3.6 | 108 | G150 | R148-G150 PolarHBondContact O-N 2.8Š| ||
| 149 | A | 32.9 | Very low | 34.7 | Very low | 79 Ų | 79 | 124.8 Ų | 124.8 | 65% | 0.653 | 70% | 0.703 | S | S | * | * | trans | -71.3 | 108.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | E147 | E147-A149 PolarHBondContact O-N 2.93Š| ||
| 150 | G | 30.8 | Very low | 34.7 | Very low | 141 Ų | 141 | 123.1 Ų | 123.1 | 100% | 1.454 | 71% | 0.705 | S | S | * | * | trans | -114 | 0 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | R148 | R148-G150 PolarHBondContact O-N 2.8Š|
Retrieved 150 of 150 residues in 57.9 ms
(Link to these results)