| 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 | 34.6 | Very low | 42.6 | Very low | 249 Ų | 249 | 137.2 Ų | 137.2 | 100% | 1.227 | 87% | 0.866 | S | S | * | * | 0 | 138.9 | 0 | -83.8 | 163.7 | 168.2 | 0 | 0 | 108.8 | |||||
| 2 | A | 36.8 | Very low | 43.5 | Very low | 91 Ų | 91 | 140.4 Ų | 140.4 | 75% | 0.752 | 87% | 0.871 | S | S | * | * | trans | 68.1 | 104.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 3 | R | 37.9 | Very low | 44 | Very low | 256 Ų | 256 | 135 Ų | 135 | 97% | 0.966 | 86% | 0.859 | S | S | * | * | 70.4 | 112.6 | 83.1 | -79.6 | -177.9 | 162 | -172.5 | -5 | 110.5 | |||||
| 4 | G | 33.6 | Very low | 44.7 | Very low | 81 Ų | 81 | 137.6 Ų | 137.6 | 84% | 0.835 | 86% | 0.862 | S | S | * | * | 145.7 | 148.6 | 61.2 | 0 | 0 | 0 | 0 | 0 | 104.7 | |||||
| 5 | G | 38.3 | Very low | 45.2 | Very low | 77 Ų | 77 | 136.7 Ų | 136.7 | 79% | 0.794 | 86% | 0.855 | S | S | * | * | cis | 107 | 114.9 | 36.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 6 | A | 44.3 | Very low | 45.4 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 97% | 0.967 | 85% | 0.85 | S | S | * | * | trans | 75.6 | 140.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 7 | G | 39.2 | Very low | 45.7 | Very low | 63 Ų | 63 | 143.9 Ų | 143.9 | 65% | 0.649 | 86% | 0.855 | S | S | * | * | cis | -169.9 | 144 | 5.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 8 | R | 51.9 | Low | 46 | Very low | 249 Ų | 249 | 145.1 Ų | 145.1 | 94% | 0.94 | 86% | 0.855 | S | S | * | * | 37.9 | 133.8 | 120 | -55.9 | -174 | 87.1 | -170 | 5.8 | 116.6 | |||||
| 9 | A | 50.2 | Low | 46.3 | Very low | 95 Ų | 95 | 143.7 Ų | 143.7 | 79% | 0.785 | 84% | 0.843 | S | S | * | * | trans | 75.2 | 114.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 10 | V | 49.2 | Very low | 46.8 | Very low | 135 Ų | 135 | 147.1 Ų | 147.1 | 82% | 0.818 | 85% | 0.847 | S | S | * | * | -153.5 | 90.7 | 52.6 | 176.4 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 11 | A | 52.1 | Low | 46.9 | Very low | 96 Ų | 96 | 143.3 Ų | 143.3 | 79% | 0.793 | 84% | 0.84 | S | S | * | * | trans | -99.7 | 95.5 | 158.4 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 12 | L | 54 | Low | 47.5 | Very low | 176 Ų | 176 | 139.1 Ų | 139.1 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | trans | 171.5 | 71.9 | 162.2 | -94 | 155.6 | 0 | 0 | 0 | 107.8 | ||||
| 13 | G | 50.3 | Low | 48.2 | Very low | 70 Ų | 70 | 146.6 Ų | 146.6 | 72% | 0.722 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -150.7 | 6.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 14 | L | 52.8 | Low | 48.7 | Very low | 172 Ų | 172 | 140.2 Ų | 140.2 | 90% | 0.901 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -147.4 | 15 | -176.2 | -111.4 | 140.6 | 0 | 0 | 0 | 115.3 | ||
| 15 | V | 52.7 | Low | 49.5 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 75% | 0.752 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -122.1 | 15.7 | 175.1 | -167.2 | 0 | 0 | 0 | 0 | 112 | ||
| 16 | L | 48.9 | Very low | 49.9 | Very low | 149 Ų | 149 | 145 Ų | 145 | 78% | 0.78 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -121.9 | 41.3 | 176.3 | -146.1 | 79.5 | 0 | 0 | 0 | 112.6 | L19 | L16-L19 HydrophobicContact CD1-CD1 4.49Š|
| 17 | R | 50.6 | Low | 49.9 | Very low | 246 Ų | 246 | 147.6 Ų | 147.6 | 93% | 0.928 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -134.2 | 25.5 | 163.5 | -80.7 | -150 | 174.2 | 179.4 | 0.5 | 113.3 | ||
| 18 | L | 50.3 | Low | 50.1 | Low | 165 Ų | 165 | 148.4 Ų | 148.4 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -126.7 | 5 | 170.5 | -72.9 | 171.8 | 0 | 0 | 0 | 113.3 | ||
| 19 | L | 52.6 | Low | 49.9 | Very low | 120 Ų | 120 | 141 Ų | 141 | 63% | 0.628 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -112.1 | -6.7 | -174.8 | -69.9 | 177.3 | 0 | 0 | 0 | 115.7 | L16 | L16-L19 HydrophobicContact CD1-CD1 4.49Š|
| 20 | F | 55.4 | Low | 49.7 | Very low | 210 Ų | 210 | 141.8 Ų | 141.8 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -147.8 | 90.4 | 173 | -76.2 | -82 | 0 | 0 | 0 | 110.7 | ||
| 21 | G | 49.2 | Very low | 49.8 | Very low | 68 Ų | 68 | 139.1 Ų | 139.1 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -177.4 | 108.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 22 | L | 47.1 | Very low | 49.2 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | trans | 79.9 | 72.8 | 172.1 | -63.3 | 114.5 | 0 | 0 | 0 | 117.4 | T24 | L22-T24 PolarHBondContact O-N 2.96Š| ||
| 23 | R | 50.8 | Low | 48.8 | Very low | 248 Ų | 248 | 135.4 Ų | 135.4 | 94% | 0.936 | 78% | 0.784 | S | S | * | * | trans | -50.2 | 108.2 | 134.1 | -171.8 | -171.7 | -159.3 | -149.4 | 4.9 | 110.5 | ||||
| 24 | T | 50.2 | Low | 48.6 | Very low | 122 Ų | 122 | 137 Ų | 137 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | -154.5 | 97.7 | 147.9 | 47.8 | 0 | 0 | 0 | 0 | 104.9 | L22 | L22-T24 PolarHBondContact O-N 2.96Š| ||
| 25 | G | 49.6 | Very low | 48.1 | Very low | 74 Ų | 74 | 134.2 Ų | 134.2 | 76% | 0.763 | 76% | 0.763 | S | S | * | * | 91 | 67.8 | 92.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | E27 | G25-E27 PolarHBondContact O-N 3.42Å; G25-E27 VanDerWaalsContact O-N 3.07Å | |||
| 26 | L | 46.9 | Very low | 48.1 | Very low | 183 Ų | 183 | 137.7 Ų | 137.7 | 96% | 0.958 | 76% | 0.762 | S | S | * | * | trans | -79.7 | 82.9 | 163.8 | -155.9 | 73.4 | 0 | 0 | 0 | 105.3 | A28 | L26-A28 PolarHBondContact O-N 3.46Š| ||
| 27 | E | 43.9 | Very low | 48.2 | Very low | 173 Ų | 173 | 134.7 Ų | 134.7 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 125 | 168.9 | -169.1 | 77.4 | 121.8 | 0 | 0 | 106.8 | G25 A29 | G25-E27 PolarHBondContact O-N 3.42Å; G25-E27 VanDerWaalsContact O-N 3.07Å; E27-A29 PolarHBondContact O-N 3.34Å |
| 28 | A | 44.4 | Very low | 48.2 | Very low | 80 Ų | 80 | 130.5 Ų | 130.5 | 66% | 0.661 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 127 | 171.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | L26 P30 | L26-A28 PolarHBondContact O-N 3.46Å; A28-P30 WeakPolarHBondContact O-CD 3.45Å; A28-P30 VanDerWaalsContact O-N 3.13Å |
| 29 | A | 46.5 | Very low | 48.4 | Very low | 93 Ų | 93 | 128.4 Ų | 128.4 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 122.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | E27 | E27-A29 PolarHBondContact O-N 3.34Š|
| 30 | P | 46.7 | Very low | 48.9 | Very low | 111 Ų | 111 | 128.3 Ų | 128.3 | 72% | 0.721 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 147 | 172.5 | 25.9 | -30.5 | 0 | 0 | 0 | 107.5 | A28 | A28-P30 WeakPolarHBondContact O-CD 3.45Å; A28-P30 VanDerWaalsContact O-N 3.13Å |
| 31 | A | 51.6 | Low | 48.6 | Very low | 79 Ų | 79 | 121.6 Ų | 121.6 | 65% | 0.653 | 73% | 0.734 | S | S | * | * | trans | -44.8 | 160.2 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109 | A33 | A31-A33 PolarHBondContact O-N 3.12Š| ||
| 32 | P | 38.9 | Very low | 48.7 | Very low | 117 Ų | 117 | 123.9 Ų | 123.9 | 76% | 0.76 | 74% | 0.739 | S | S | * | * | trans | -61.5 | 81.6 | 171.1 | 27.9 | -33.7 | 0 | 0 | 0 | 108.9 | H34 | P32-H34 VanDerWaalsContact C-N 3.32Å; P32-H34 PolarHBondContact O-CD2 2.84Å; P32-H34 PolarHBondContact O-N 3.23Å; P32-H34 VanDerWaalsContact O-N 3.11Å | ||
| 33 | A | 46.2 | Very low | 49.3 | Very low | 77 Ų | 77 | 128.1 Ų | 128.1 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | trans | -70.4 | 103.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 102.4 | A31 T35 | A31-A33 PolarHBondContact O-N 3.12Å; A33-T35 PolarHBondContact O-N 2.84Å; A33-T35 VanDerWaalsContact O-N 3.09Å | ||
| 34 | H | 46.2 | Very low | 49.4 | Very low | 103 Ų | 103 | 120.3 Ų | 120.3 | 48% | 0.477 | 73% | 0.733 | S | S | . | * | trans | -46.4 | 122.9 | 169.2 | -79 | -110.7 | 0 | 0 | 0 | 107.5 | P32 R36 W65 | P32-H34 VanDerWaalsContact C-N 3.32Å; P32-H34 PolarHBondContact O-CD2 2.84Å; P32-H34 PolarHBondContact O-N 3.23Å; P32-H34 VanDerWaalsContact O-N 3.11Å; H34-R36 PolarHBondContact O-N 2.91Å; H34-W65 HydrophobicContact CB-CH2 3.47Å; H34-W65 VanDerWaalsContact CB-CH2 3.47Å; H34-W65 HydrophobicContact CB-CZ2 3.62Å; H34-W65 HydrophobicContact CB-CZ3 3.98Å; H34-W65 AromaticContact CG-CZ2 3.79Å; H34-W65 AromaticContact ND1-CE2 3.47Å; H34-W65 AromaticContact ND1-CZ2 3.24Å; H34-W65 WeakPolarHBondContact ND1-CZ2 3.28Å; H34-W65 AromaticContact ND1-NE1 3.61Å | ||
| 35 | T | 41.5 | Very low | 49.9 | Very low | 115 Ų | 115 | 121.3 Ų | 121.3 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | trans | -57.6 | 116.7 | -165.6 | -67.7 | 0 | 0 | 0 | 0 | 108.8 | A33 V37 | A33-T35 PolarHBondContact O-N 2.84Å; A33-T35 VanDerWaalsContact O-N 3.09Å; T35-V37 WeakPolarHBondContact O-CG2 3.36Å; T35-V37 PolarHBondContact O-N 3.39Å | ||
| 36 | R | 52.4 | Low | 50.9 | Low | 197 Ų | 197 | 122.6 Ų | 122.6 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | trans | -61.2 | 95.7 | 176.1 | -168.1 | 177.7 | -169.3 | 156.8 | 4.8 | 109.2 | H34 Q38 Y59 | H34-R36 PolarHBondContact O-N 2.91Å; R36-Q38 PolarHBondContact O-N 2.04Å; R36-Y59 HydrophobicContact CG-CE2 4.5Å | ||
| 37 | V | 50.4 | Low | 52.4 | Low | 85 Ų | 85 | 114.7 Ų | 114.7 | 52% | 0.515 | 69% | 0.691 | S | S | . | * | trans | -70.1 | 93.3 | 176 | -176.1 | 0 | 0 | 0 | 0 | 108.1 | T35 V39 Y59 | T35-V37 WeakPolarHBondContact O-CG2 3.36Å; T35-V37 PolarHBondContact O-N 3.39Å; V37-V39 HydrophobicContact CG1-CG2 3.79Å; V37-V39 PolarHBondContact O-N 3.17Å; V37-Y59 PolarHBondContact N-OH 3.07Å; V37-Y59 VanDerWaalsContact O-CE2 3.29Å; V37-Y59 WeakPolarHBondContact O-CE2 3.45Å; V37-Y59 PolarHBondContact O-OH 3.42Å | ||
| 38 | Q | 50.6 | Low | 54.1 | Low | 158 Ų | 158 | 110.5 Ų | 110.5 | 74% | 0.738 | 68% | 0.678 | S | S | * | * | trans | -73 | 93 | 168.4 | -66.9 | -161 | -59.8 | 0 | 0 | 109.9 | R36 S40 | R36-Q38 PolarHBondContact O-N 2.04Å; Q38-S40 PolarHBondContact O-N 2.77Å | ||
| 39 | V | 55.4 | Low | 55.4 | Low | 121 Ų | 121 | 112.8 Ų | 112.8 | 73% | 0.733 | 68% | 0.684 | S | S | * | * | trans | -84.7 | 90.4 | 160.6 | -172.5 | 0 | 0 | 0 | 0 | 108 | V37 G41 | V37-V39 HydrophobicContact CG1-CG2 3.79Å; V37-V39 PolarHBondContact O-N 3.17Å; V39-G41 PolarHBondContact O-N 3Å | ||
| 40 | S | 64.1 | Low | 56.7 | Low | 118 Ų | 118 | 114.2 Ų | 114.2 | 83% | 0.825 | 68% | 0.679 | S | S | * | * | trans | -77 | 108.5 | 162.7 | -74 | 0 | 0 | 0 | 0 | 108.7 | Q38 | Q38-S40 PolarHBondContact O-N 2.77Š| ||
| 41 | G | 49.1 | Very low | 58.4 | Low | 69 Ų | 69 | 110.7 Ų | 110.7 | 71% | 0.711 | 66% | 0.655 | S | S | * | * | trans | -163.8 | 130.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V39 | V39-G41 PolarHBondContact O-N 3Š| ||
| 42 | S | 50.1 | Low | 59.9 | Low | 117 Ų | 117 | 108.6 Ų | 108.6 | 82% | 0.818 | 63% | 0.632 | S | S | * | * | trans | -74.1 | 126.7 | -165.3 | 46.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 43 | R | 60.8 | Low | 62.2 | Low | 251 Ų | 251 | 107.5 Ų | 107.5 | 95% | 0.947 | 62% | 0.616 | S | S | * | * | S | Bend | trans | 32.1 | 110.4 | 150.9 | -149.4 | 156.4 | -177.3 | 136.5 | -2.1 | 118.3 | ||
| 44 | A | 52.5 | Low | 64.3 | Low | 84 Ų | 84 | 103.9 Ų | 103.9 | 69% | 0.694 | 59% | 0.587 | S | S | * | * | S | Bend | trans | 81.9 | 118.9 | -176 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 45 | D | 59.7 | Low | 66.1 | Low | 142 Ų | 142 | 105.6 Ų | 105.6 | 76% | 0.759 | 60% | 0.598 | S | S | * | * | cis | -158.3 | 132.9 | 14.6 | -89.8 | -38.8 | 0 | 0 | 0 | 107.2 | ||||
| 46 | S | 70.4 | Confident | 67.9 | Low | 102 Ų | 102 | 105.7 Ų | 105.7 | 71% | 0.713 | 60% | 0.599 | S | S | * | * | trans | 56.2 | 149.1 | 167 | 50.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 47 | C | 79.5 | Confident | 69.3 | Low | 17 Ų | 17 | 99.1 Ų | 99.1 | 12% | 0.115 | 58% | 0.583 | C | S | . | * | S | Bend | trans | -59.5 | 151.4 | 166.8 | -69.3 | 0 | 0 | 0 | 0 | 110.4 | T51 Q53 C60 | C47-T51 VanDerWaalsContact CB-OG1 3.31Å; C47-T51 WeakPolarHBondContact CB-OG1 3.26Å; C47-Q53 HydrophobicContact CB-CB 4.23Å; C47-Q53 WeakPolarHBondContact SG-CB 3.46Å; C47-Q53 WeakPolarHBondContact SG-CG 3.42Å; C47-C60 VanDerWaalsContact CA-SG 3.55Å; C47-C60 HydrophobicContact CB-CB 3.77Å; C47-C60 WeakPolarHBondContact CB-SG 3.36Å; C47-C60 VanDerWaalsContact SG-CA 3.56Å; C47-C60 WeakPolarHBondContact SG-CB 3.4Å; C47-C60 CovalentContact SG-SG 2.02Å; C47-C60 PolarHBondContact SG-SG 2.94Å |
| 48 | P | 79.8 | Confident | 70.7 | Confident | 85 Ų | 85 | 96.7 Ų | 96.7 | 55% | 0.552 | 58% | 0.575 | S | S | * | * | trans | -46.7 | 150.9 | 169.2 | -26.2 | 31.5 | 0 | 0 | 0 | 112 | D50 T51 | P48-D50 PolarHBondContact O-N 3.12Å; P48-T51 VanDerWaalsContact CD-OG1 3.23Å; P48-T51 WeakPolarHBondContact CD-OG1 3.47Å; P48-T51 PolarHBondContact O-N 2.99Å; P48-T51 PolarHBondContact O-OG1 2.95Å | ||
| 49 | T | 71.8 | Confident | 72.4 | Confident | 128 Ų | 128 | 92 Ų | 92 | 79% | 0.785 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -24.2 | -174.5 | 44 | 0 | 0 | 0 | 0 | 114.5 | L63 | T49-L63 WeakPolarHBondContact O-CD1 3.37Š|
| 50 | D | 73.4 | Confident | 73.9 | Confident | 122 Ų | 122 | 88 Ų | 88 | 65% | 0.652 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 15.9 | -177.9 | -51.7 | -40.1 | 0 | 0 | 0 | 113.2 | P48 L63 | P48-D50 PolarHBondContact O-N 3.12Å; D50-L63 PolarHBondContact O-N 3.16Å; D50-L63 VanDerWaalsContact O-N 3.07Å |
| 51 | T | 81.4 | Confident | 74.9 | Confident | 37 Ų | 37 | 82.4 Ų | 82.4 | 23% | 0.227 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 140.9 | -177.2 | 54.3 | 0 | 0 | 0 | 0 | 112 | C47 P48 V61 | C47-T51 VanDerWaalsContact CB-OG1 3.31Å; C47-T51 WeakPolarHBondContact CB-OG1 3.26Å; P48-T51 VanDerWaalsContact CD-OG1 3.23Å; P48-T51 WeakPolarHBondContact CD-OG1 3.47Å; P48-T51 PolarHBondContact O-N 2.99Å; P48-T51 PolarHBondContact O-OG1 2.95Å; T51-V61 CarbonylContact C-O 3.57Å; T51-V61 VanDerWaalsContact C-O 3.32Å; T51-V61 WeakPolarHBondContact CA-O 3.23Å; T51-V61 WeakPolarHBondContact CB-O 3.47Å |
| 52 | F | 83.4 | Confident | 76.5 | Confident | 36 Ų | 36 | 81 Ų | 81 | 16% | 0.158 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 136 | 172.2 | 175.6 | -105.4 | 0 | 0 | 0 | 110.9 | C60 V61 L63 S77 D78 | F52-C60 CarbonylContact O-C 3.32Å; F52-C60 VanDerWaalsContact O-CA 3.27Å; F52-C60 WeakPolarHBondContact O-CA 3.26Å; F52-V61 HydrophobicContact CB-CG2 3.9Å; F52-V61 HydrophobicContact CD1-CG2 3.84Å; F52-V61 HydrophobicContact CG-CG2 4.38Å; F52-V61 PolarHBondContact N-O 2.87Å; F52-V61 PolarHBondContact O-N 3.28Å; F52-L63 HydrophobicContact CB-CD2 4.13Å; F52-S77 WeakPolarHBondContact CZ-O 3.42Å; F52-D78 HydrophobicContact CD1-CB 4.19Å; F52-D78 HydrophobicContact CE1-CB 4.2Å |
| 53 | Q | 87.8 | Confident | 77.8 | Confident | 94 Ų | 94 | 79.6 Ų | 79.6 | 44% | 0.439 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 117.3 | 175.4 | -168 | 162.4 | 25.1 | 0 | 0 | 110.9 | C47 L55 G58 Y59 | C47-Q53 HydrophobicContact CB-CB 4.23Å; C47-Q53 WeakPolarHBondContact SG-CB 3.46Å; C47-Q53 WeakPolarHBondContact SG-CG 3.42Å; Q53-L55 PolarHBondContact O-N 3.36Å; Q53-G58 PolarHBondContact NE2-O 3.49Å; Q53-G58 VanDerWaalsContact NE2-O 3.11Å; Q53-Y59 CarbonylContact C-O 3.47Å; Q53-Y59 WeakPolarHBondContact CA-O 3.31Å |
| 54 | C | 89.3 | Confident | 78.3 | Confident | 1 Ų | 1 | 71.9 Ų | 71.9 | 1% | 0.007 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 135.5 | 172.6 | -57.4 | 0 | 0 | 0 | 0 | 111 | T56 S57 G58 Y59 C73 S77 | C54-T56 PolarHBondContact O-N 3.45Å; C54-S57 WeakPolarHBondContact CB-OG 3.25Å; C54-G58 VanDerWaalsContact O-CA 3.3Å; C54-G58 WeakPolarHBondContact O-CA 3.45Å; C54-G58 PolarHBondContact O-N 3.47Å; C54-Y59 WeakPolarHBondContact CB-O 3.34Å; C54-Y59 PolarHBondContact N-O 3.22Å; C54-Y59 PolarHBondContact SG-O 3.49Å; C54-Y59 VanDerWaalsContact SG-O 3.34Å; C54-C73 VanDerWaalsContact CA-SG 3.5Å; C54-C73 HydrophobicContact CB-CB 3.71Å; C54-C73 WeakPolarHBondContact CB-SG 3.24Å; C54-C73 VanDerWaalsContact SG-CA 3.51Å; C54-C73 WeakPolarHBondContact SG-CB 3.05Å; C54-C73 CovalentContact SG-SG 2.03Å; C54-C73 PolarHBondContact SG-SG 3.18Å; C54-S77 VanDerWaalsContact CA-OG 3.3Å; C54-S77 WeakPolarHBondContact CA-OG 3.45Å |
| 55 | L | 84.4 | Confident | 79.8 | Confident | 139 Ų | 139 | 69.5 Ų | 69.5 | 73% | 0.728 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -41.6 | -169.1 | -68.6 | 172.6 | 0 | 0 | 0 | 112.7 | Q53 D75 S77 | Q53-L55 PolarHBondContact O-N 3.36Å; L55-D75 PolarHBondContact N-OD2 2.89Å; L55-S77 PolarHBondContact N-OG 2.59Å |
| 56 | T | 80.4 | Confident | 80.8 | Confident | 117 Ų | 117 | 67.5 Ų | 67.5 | 72% | 0.718 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -45.4 | -173.4 | -51.2 | 0 | 0 | 0 | 0 | 112 | C54 D75 | C54-T56 PolarHBondContact O-N 3.45Å; T56-D75 VanDerWaalsContact CB-CG 3.48Å; T56-D75 WeakPolarHBondContact CB-OD2 3.44Å; T56-D75 PolarHBondContact N-OD2 3.44Å; T56-D75 WeakPolarHBondContact OG1-CB 3.44Å; T56-D75 PolarHBondContact OG1-OD2 3.4Å |
| 57 | S | 81.1 | Confident | 81.3 | Confident | 59 Ų | 59 | 64 Ų | 64 | 41% | 0.413 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -19.8 | -175.3 | 63.2 | 0 | 0 | 0 | 0 | 113.1 | C54 Y59 S74 | C54-S57 WeakPolarHBondContact CB-OG 3.25Å; S57-Y59 PolarHBondContact O-N 3.21Å; S57-Y59 WeakPolarHBondContact OG-CB 3.31Å; S57-Y59 PolarHBondContact OG-N 3.32Å; S57-S74 WeakPolarHBondContact CB-OG 3.06Å |
| 58 | G | 80.1 | Confident | 81.3 | Confident | 33 Ų | 33 | 66.6 Ų | 66.6 | 34% | 0.34 | 38% | 0.377 | S | S | . | . | trans | 65.3 | 8.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q53 C54 | Q53-G58 PolarHBondContact NE2-O 3.49Å; Q53-G58 VanDerWaalsContact NE2-O 3.11Å; C54-G58 VanDerWaalsContact O-CA 3.3Å; C54-G58 WeakPolarHBondContact O-CA 3.45Å; C54-G58 PolarHBondContact O-N 3.47Å | ||
| 59 | Y | 85.6 | Confident | 80.9 | Confident | 59 Ų | 59 | 65.5 Ų | 65.5 | 23% | 0.231 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -70 | 146.4 | 177 | -178.2 | -107.7 | 0 | 0 | 0 | 110.4 | R36 V37 Q53 C54 S57 V61 | R36-Y59 HydrophobicContact CG-CE2 4.5Å; V37-Y59 PolarHBondContact N-OH 3.07Å; V37-Y59 VanDerWaalsContact O-CE2 3.29Å; V37-Y59 WeakPolarHBondContact O-CE2 3.45Å; V37-Y59 PolarHBondContact O-OH 3.42Å; Q53-Y59 CarbonylContact C-O 3.47Å; Q53-Y59 WeakPolarHBondContact CA-O 3.31Å; C54-Y59 WeakPolarHBondContact CB-O 3.34Å; C54-Y59 PolarHBondContact N-O 3.22Å; C54-Y59 PolarHBondContact SG-O 3.49Å; C54-Y59 VanDerWaalsContact SG-O 3.34Å; S57-Y59 PolarHBondContact O-N 3.21Å; S57-Y59 WeakPolarHBondContact OG-CB 3.31Å; S57-Y59 PolarHBondContact OG-N 3.32Å; Y59-V61 HydrophobicContact CD1-CG1 3.77Å; Y59-V61 HydrophobicContact CE1-CG1 3.71Å |
| 60 | C | 88.1 | Confident | 81.2 | Confident | 38 Ų | 38 | 64.4 Ų | 64.4 | 26% | 0.257 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 120.7 | 179.3 | -50.3 | 0 | 0 | 0 | 0 | 109.4 | C47 F52 | C47-C60 VanDerWaalsContact CA-SG 3.55Å; C47-C60 HydrophobicContact CB-CB 3.77Å; C47-C60 WeakPolarHBondContact CB-SG 3.36Å; C47-C60 VanDerWaalsContact SG-CA 3.56Å; C47-C60 WeakPolarHBondContact SG-CB 3.4Å; C47-C60 CovalentContact SG-SG 2.02Å; C47-C60 PolarHBondContact SG-SG 2.94Å; F52-C60 CarbonylContact O-C 3.32Å; F52-C60 VanDerWaalsContact O-CA 3.27Å; F52-C60 WeakPolarHBondContact O-CA 3.26Å |
| 61 | V | 84.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 150.4 | 168.1 | -63 | 0 | 0 | 0 | 0 | 108.9 | T51 F52 Y59 W65 D72 D78 | T51-V61 CarbonylContact C-O 3.57Å; T51-V61 VanDerWaalsContact C-O 3.32Å; T51-V61 WeakPolarHBondContact CA-O 3.23Å; T51-V61 WeakPolarHBondContact CB-O 3.47Å; F52-V61 HydrophobicContact CB-CG2 3.9Å; F52-V61 HydrophobicContact CD1-CG2 3.84Å; F52-V61 HydrophobicContact CG-CG2 4.38Å; F52-V61 PolarHBondContact N-O 2.87Å; F52-V61 PolarHBondContact O-N 3.28Å; Y59-V61 HydrophobicContact CD1-CG1 3.77Å; Y59-V61 HydrophobicContact CE1-CG1 3.71Å; V61-W65 HydrophobicContact CB-CB 4.45Å; V61-W65 HydrophobicContact CB-CE3 3.97Å; V61-W65 HydrophobicContact CG1-CE3 4.19Å; V61-D72 HydrophobicContact CG1-CB 3.93Å; V61-D78 HydrophobicContact CG2-CB 4.37Å |
| 62 | P | 82.8 | Confident | 82.2 | Confident | 39 Ų | 39 | 65.8 Ų | 65.8 | 25% | 0.253 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -49.8 | 143.1 | 168 | -28.4 | 37.4 | 0 | 0 | 0 | 112.5 | S64 W65 | P62-S64 WeakPolarHBondContact CB-OG 3.19Å; P62-S64 PolarHBondContact O-N 3.46Å; P62-S64 VanDerWaalsContact O-N 3.15Å; P62-W65 HydrophobicContact CB-CD2 4.18Å; P62-W65 HydrophobicContact CB-CG 4.15Å; P62-W65 VanDerWaalsContact CD-CD2 3.5Å; P62-W65 VanDerWaalsContact CD-CE3 3.41Å; P62-W65 HydrophobicContact CG-CD2 3.82Å; P62-W65 HydrophobicContact CG-CE3 4.16Å; P62-W65 HydrophobicContact CG-CG 4.32Å; P62-W65 HydrophobicContact CG-CH2 3.95Å; P62-W65 HydrophobicContact CG-CZ2 3.69Å; P62-W65 HydrophobicContact CG-CZ3 4.23Å; P62-W65 PolarHBondContact O-N 2.74Å |
| 63 | L | 76.6 | Confident | 82.4 | Confident | 89 Ų | 89 | 64.1 Ų | 64.1 | 47% | 0.466 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -59.6 | -24.3 | 175.3 | -79.7 | 172.7 | 0 | 0 | 0 | 113.2 | T49 D50 F52 W65 R66 | T49-L63 WeakPolarHBondContact O-CD1 3.37Å; D50-L63 PolarHBondContact O-N 3.16Å; D50-L63 VanDerWaalsContact O-N 3.07Å; F52-L63 HydrophobicContact CB-CD2 4.13Å; L63-W65 PolarHBondContact O-N 3.05Å; L63-R66 PolarHBondContact O-N 3.08Å |
| 64 | S | 72.9 | Confident | 82.4 | Confident | 88 Ų | 88 | 64.4 Ų | 64.4 | 62% | 0.615 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -67.3 | -17.9 | 174.2 | 56.4 | 0 | 0 | 0 | 0 | 113.9 | P62 R66 | P62-S64 WeakPolarHBondContact CB-OG 3.19Å; P62-S64 PolarHBondContact O-N 3.46Å; P62-S64 VanDerWaalsContact O-N 3.15Å; S64-R66 VanDerWaalsContact C-N 3.33Å |
| 65 | W | 83.6 | Confident | 82.2 | Confident | 35 Ų | 35 | 66.5 Ų | 66.5 | 13% | 0.133 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -98.5 | 17 | 178.4 | -56.5 | -9.7 | 0 | 0 | 0 | 112.1 | H34 V61 P62 L63 D68 D72 | H34-W65 HydrophobicContact CB-CH2 3.47Å; H34-W65 VanDerWaalsContact CB-CH2 3.47Å; H34-W65 HydrophobicContact CB-CZ2 3.62Å; H34-W65 HydrophobicContact CB-CZ3 3.98Å; H34-W65 AromaticContact CG-CZ2 3.79Å; H34-W65 AromaticContact ND1-CE2 3.47Å; H34-W65 AromaticContact ND1-CZ2 3.24Å; H34-W65 WeakPolarHBondContact ND1-CZ2 3.28Å; H34-W65 AromaticContact ND1-NE1 3.61Å; V61-W65 HydrophobicContact CB-CB 4.45Å; V61-W65 HydrophobicContact CB-CE3 3.97Å; V61-W65 HydrophobicContact CG1-CE3 4.19Å; P62-W65 HydrophobicContact CB-CD2 4.18Å; P62-W65 HydrophobicContact CB-CG 4.15Å; P62-W65 VanDerWaalsContact CD-CD2 3.5Å; P62-W65 VanDerWaalsContact CD-CE3 3.41Å; P62-W65 HydrophobicContact CG-CD2 3.82Å; P62-W65 HydrophobicContact CG-CE3 4.16Å; P62-W65 HydrophobicContact CG-CG 4.32Å; P62-W65 HydrophobicContact CG-CH2 3.95Å; P62-W65 HydrophobicContact CG-CZ2 3.69Å; P62-W65 HydrophobicContact CG-CZ3 4.23Å; P62-W65 PolarHBondContact O-N 2.74Å; L63-W65 PolarHBondContact O-N 3.05Å; W65-D68 WeakPolarHBondContact CA-OD2 3.44Å; W65-D72 WeakPolarHBondContact CB-OD2 3.23Å; W65-D72 HydrophobicContact CE3-CB 3.86Å |
| 66 | R | 80.6 | Confident | 82.1 | Confident | 99 Ų | 99 | 60.1 Ų | 60.1 | 37% | 0.374 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -98.1 | 118.9 | 173.3 | -170.5 | 177.6 | 180 | -113.7 | -12.3 | 107.3 | L63 S64 D68 D78 | L63-R66 PolarHBondContact O-N 3.08Å; S64-R66 VanDerWaalsContact C-N 3.33Å; R66-D68 VanDerWaalsContact C-N 3.33Å; R66-D78 VanDerWaalsContact CG-O 3.27Å; R66-D78 WeakPolarHBondContact CG-O 3.24Å |
| 67 | C | 80.3 | Confident | 82.4 | Confident | 29 Ų | 29 | 54.7 Ų | 54.7 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | S | Bend | trans | 64.7 | 34.3 | -178.9 | -47.4 | 0 | 0 | 0 | 0 | 113.6 | D78 E79 C82 I84 | C67-D78 PolarHBondContact N-O 3.07Å; C67-D78 VanDerWaalsContact N-O 3.08Å; C67-E79 WeakPolarHBondContact CA-OE1 3.27Å; C67-E79 WeakPolarHBondContact CA-OE2 3.41Å; C67-E79 PolarHBondContact N-OE1 3.4Å; C67-C82 WeakPolarHBondContact CA-SG 3.13Å; C67-C82 HydrophobicContact CB-CB 3.7Å; C67-C82 WeakPolarHBondContact CB-SG 3.03Å; C67-C82 WeakPolarHBondContact SG-CA 3.35Å; C67-C82 WeakPolarHBondContact SG-CB 3.28Å; C67-C82 CovalentContact SG-SG 2.02Å; C67-C82 PolarHBondContact SG-SG 2.95Å; C67-I84 HydrophobicContact CB-CD1 3.8Å; C67-I84 HydrophobicContact CB-CG1 4.31Å |
| 68 | D | 79.3 | Confident | 82.5 | Confident | 71 Ų | 71 | 51.9 Ų | 51.9 | 38% | 0.38 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -92 | -1.8 | 176.2 | 72.7 | -8.3 | 0 | 0 | 0 | 112.9 | W65 R66 D70 E79 | W65-D68 WeakPolarHBondContact CA-OD2 3.44Å; R66-D68 VanDerWaalsContact C-N 3.33Å; D68-D70 PolarHBondContact OD1-N 3.39Å; D68-E79 PolarHBondContact N-OE1 3Å |
| 69 | G | 72.1 | Confident | 82.9 | Confident | 63 Ų | 63 | 52.7 Ų | 52.7 | 65% | 0.649 | 30% | 0.299 | S | S | * | . | S | Bend | trans | 92.3 | -4.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | E79 | G69-E79 VanDerWaalsContact CA-OE2 3.25Å; G69-E79 WeakPolarHBondContact CA-OE2 3.3Å; G69-E79 PolarHBondContact N-OE2 3.36Å |
| 70 | D | 78.4 | Confident | 82.6 | Confident | 104 Ų | 104 | 55.7 Ų | 55.7 | 56% | 0.556 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -106.4 | 142.1 | 176.5 | -78.4 | -46.8 | 0 | 0 | 0 | 111.3 | D68 D72 E79 | D68-D70 PolarHBondContact OD1-N 3.39Å; D70-D72 PolarHBondContact O-N 2.71Å; D70-E79 VanDerWaalsContact O-CD 3.23Å; D70-E79 WeakPolarHBondContact O-CG 3.48Å |
| 71 | Q | 85.6 | Confident | 81.8 | Confident | 138 Ų | 138 | 58.5 Ų | 58.5 | 65% | 0.645 | 33% | 0.327 | S | S | * | . | trans | -89.5 | 85.6 | -179.2 | -164.6 | -172.9 | 17.8 | 0 | 0 | 110.7 | C73 G76 | Q71-C73 WeakPolarHBondContact CG-O 3.46Å; Q71-G76 VanDerWaalsContact NE2-N 3.19Å | ||
| 72 | D | 89.4 | Confident | 81 | Confident | 50 Ų | 50 | 60.4 Ų | 60.4 | 27% | 0.267 | 34% | 0.34 | S | S | . | . | trans | -87.1 | -30.8 | 179 | -71.7 | -58.7 | 0 | 0 | 0 | 113.4 | V61 W65 D70 D78 | V61-D72 HydrophobicContact CG1-CB 3.93Å; W65-D72 WeakPolarHBondContact CB-OD2 3.23Å; W65-D72 HydrophobicContact CE3-CB 3.86Å; D70-D72 PolarHBondContact O-N 2.71Å; D72-D78 WeakPolarHBondContact CA-OD2 3.42Å; D72-D78 WeakPolarHBondContact CB-OD2 3.06Å; D72-D78 PolarHBondContact N-OD2 3.48Å | ||
| 73 | C | 88.3 | Confident | 79.5 | Confident | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.007 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -75.4 | 136.5 | 166.8 | -68.3 | 0 | 0 | 0 | 0 | 110.3 | C54 Q71 D75 G76 S77 D78 | C54-C73 VanDerWaalsContact CA-SG 3.5Å; C54-C73 HydrophobicContact CB-CB 3.71Å; C54-C73 WeakPolarHBondContact CB-SG 3.24Å; C54-C73 VanDerWaalsContact SG-CA 3.51Å; C54-C73 WeakPolarHBondContact SG-CB 3.05Å; C54-C73 CovalentContact SG-SG 2.03Å; C54-C73 PolarHBondContact SG-SG 3.18Å; Q71-C73 WeakPolarHBondContact CG-O 3.46Å; C73-D75 PolarHBondContact O-N 2.94Å; C73-G76 PolarHBondContact O-N 2.04Å; C73-S77 PolarHBondContact SG-OG 2.83Å; C73-S77 VanDerWaalsContact SG-OG 3.38Å; C73-D78 HydrophobicContact CB-CB 4.26Å; C73-D78 WeakPolarHBondContact CB-OD1 3.32Å; C73-D78 VanDerWaalsContact N-CG 3.29Å; C73-D78 PolarHBondContact N-OD1 3.49Å; C73-D78 PolarHBondContact N-OD2 2.93Å |
| 74 | S | 87.3 | Confident | 78.1 | Confident | 100 Ų | 100 | 67.8 Ų | 67.8 | 70% | 0.699 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -22.8 | 176.5 | 55.5 | 0 | 0 | 0 | 0 | 114.1 | S57 | S57-S74 WeakPolarHBondContact CB-OG 3.06Š|
| 75 | D | 84.9 | Confident | 76.3 | Confident | 46 Ų | 46 | 70.6 Ų | 70.6 | 25% | 0.246 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 1.7 | 176.9 | 53.7 | -48.5 | 0 | 0 | 0 | 113.2 | L55 T56 C73 S77 | L55-D75 PolarHBondContact N-OD2 2.89Å; T56-D75 VanDerWaalsContact CB-CG 3.48Å; T56-D75 WeakPolarHBondContact CB-OD2 3.44Å; T56-D75 PolarHBondContact N-OD2 3.44Å; T56-D75 WeakPolarHBondContact OG1-CB 3.44Å; T56-D75 PolarHBondContact OG1-OD2 3.4Å; C73-D75 PolarHBondContact O-N 2.94Å; D75-S77 PolarHBondContact O-N 2.87Å; D75-S77 WeakPolarHBondContact OD2-CB 3.34Å; D75-S77 PolarHBondContact OD2-OG 3.14Å |
| 76 | G | 81.8 | Confident | 74 | Confident | 4 Ų | 4 | 73.1 Ų | 73.1 | 4% | 0.041 | 39% | 0.39 | C | S | . | . | trans | 65 | 12.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q71 C73 D78 E79 E80 | Q71-G76 VanDerWaalsContact NE2-N 3.19Å; C73-G76 PolarHBondContact O-N 2.04Å; G76-D78 VanDerWaalsContact CA-OD1 3.31Å; G76-D78 WeakPolarHBondContact CA-OD1 3.32Å; G76-D78 PolarHBondContact O-N 3.34Å; G76-D78 VanDerWaalsContact O-N 3.15Å; G76-E79 WeakPolarHBondContact O-CA 3.32Å; G76-E79 PolarHBondContact O-N 3.02Å; G76-E80 WeakPolarHBondContact O-CG 3.29Å; G76-E80 PolarHBondContact O-N 3.44Å | ||
| 77 | S | 86.5 | Confident | 71.9 | Confident | 4 Ų | 4 | 74.5 Ų | 74.5 | 3% | 0.028 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -19.1 | -175.3 | 58.6 | 0 | 0 | 0 | 0 | 115 | F52 C54 L55 C73 D75 E79 | F52-S77 WeakPolarHBondContact CZ-O 3.42Å; C54-S77 VanDerWaalsContact CA-OG 3.3Å; C54-S77 WeakPolarHBondContact CA-OG 3.45Å; L55-S77 PolarHBondContact N-OG 2.59Å; C73-S77 PolarHBondContact SG-OG 2.83Å; C73-S77 VanDerWaalsContact SG-OG 3.38Å; D75-S77 PolarHBondContact O-N 2.87Å; D75-S77 WeakPolarHBondContact OD2-CB 3.34Å; D75-S77 PolarHBondContact OD2-OG 3.14Å; S77-E79 VanDerWaalsContact C-N 3.27Å |
| 78 | D | 84.1 | Confident | 69.7 | Low | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -30.6 | 169 | 50.6 | -28.6 | 0 | 0 | 0 | 112.6 | F52 V61 R66 C67 D72 C73 G76 | F52-D78 HydrophobicContact CD1-CB 4.19Å; F52-D78 HydrophobicContact CE1-CB 4.2Å; V61-D78 HydrophobicContact CG2-CB 4.37Å; R66-D78 VanDerWaalsContact CG-O 3.27Å; R66-D78 WeakPolarHBondContact CG-O 3.24Å; C67-D78 PolarHBondContact N-O 3.07Å; C67-D78 VanDerWaalsContact N-O 3.08Å; D72-D78 WeakPolarHBondContact CA-OD2 3.42Å; D72-D78 WeakPolarHBondContact CB-OD2 3.06Å; D72-D78 PolarHBondContact N-OD2 3.48Å; C73-D78 HydrophobicContact CB-CB 4.26Å; C73-D78 WeakPolarHBondContact CB-OD1 3.32Å; C73-D78 VanDerWaalsContact N-CG 3.29Å; C73-D78 PolarHBondContact N-OD1 3.49Å; C73-D78 PolarHBondContact N-OD2 2.93Å; G76-D78 VanDerWaalsContact CA-OD1 3.31Å; G76-D78 WeakPolarHBondContact CA-OD1 3.32Å; G76-D78 PolarHBondContact O-N 3.34Å; G76-D78 VanDerWaalsContact O-N 3.15Å |
| 79 | E | 88.3 | Confident | 67.5 | Low | 49 Ų | 49 | 81.9 Ų | 81.9 | 23% | 0.229 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -97.8 | 5.4 | 178.3 | -59.3 | -53.6 | 104.6 | 0 | 0 | 113.2 | C67 D68 G69 D70 G76 S77 C82 | C67-E79 WeakPolarHBondContact CA-OE1 3.27Å; C67-E79 WeakPolarHBondContact CA-OE2 3.41Å; C67-E79 PolarHBondContact N-OE1 3.4Å; D68-E79 PolarHBondContact N-OE1 3Å; G69-E79 VanDerWaalsContact CA-OE2 3.25Å; G69-E79 WeakPolarHBondContact CA-OE2 3.3Å; G69-E79 PolarHBondContact N-OE2 3.36Å; D70-E79 VanDerWaalsContact O-CD 3.23Å; D70-E79 WeakPolarHBondContact O-CG 3.48Å; G76-E79 WeakPolarHBondContact O-CA 3.32Å; G76-E79 PolarHBondContact O-N 3.02Å; S77-E79 VanDerWaalsContact C-N 3.27Å; E79-C82 PolarHBondContact O-SG 3.13Å; E79-C82 VanDerWaalsContact O-SG 3.38Å |
| 80 | E | 80.3 | Confident | 65.5 | Low | 123 Ų | 123 | 86.6 Ų | 86.6 | 58% | 0.575 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -103.1 | 148.4 | -179 | -65.3 | -71.5 | 159.4 | 0 | 0 | 112.2 | G76 C82 | G76-E80 WeakPolarHBondContact O-CG 3.29Å; G76-E80 PolarHBondContact O-N 3.44Å; E80-C82 PolarHBondContact O-N 3.33Å; E80-C82 VanDerWaalsContact O-N 3.14Å |
| 81 | D | 70.3 | Confident | 63.5 | Low | 96 Ų | 96 | 85.3 Ų | 85.3 | 51% | 0.513 | 48% | 0.476 | S | S | . | . | S | Bend | trans | 50.3 | 32.1 | -170.8 | -158.7 | 39.8 | 0 | 0 | 0 | 112.9 | R83 | D81-R83 VanDerWaalsContact CG-NH1 3.31Å; D81-R83 PolarHBondContact O-N 3.24Å; D81-R83 IonicContact OD1-CZ 3.12Å; D81-R83 IonicContact OD1-NE 3.67Å; D81-R83 IonicContact OD1-NH1 3.87Å; D81-R83 PolarHBondContact OD1-NH1 3Å; D81-R83 IonicContact OD1-NH2 3.39Å; D81-R83 PolarHBondContact OD1-NH2 3.48Å; D81-R83 IonicContact OD2-CZ 3.46Å; D81-R83 IonicContact OD2-NH1 2.71Å; D81-R83 PolarHBondContact OD2-NH1 3.37Å; D81-R83 IonicContact OD2-NH2 3.37Å |
| 82 | C | 68.6 | Low | 60.9 | Low | 40 Ų | 40 | 87.4 Ų | 87.4 | 27% | 0.27 | 49% | 0.486 | S | S | . | . | trans | -68.5 | 78.9 | 163.7 | -64 | 0 | 0 | 0 | 0 | 108 | C67 E79 E80 I84 | C67-C82 WeakPolarHBondContact CA-SG 3.13Å; C67-C82 HydrophobicContact CB-CB 3.7Å; C67-C82 WeakPolarHBondContact CB-SG 3.03Å; C67-C82 WeakPolarHBondContact SG-CA 3.35Å; C67-C82 WeakPolarHBondContact SG-CB 3.28Å; C67-C82 CovalentContact SG-SG 2.02Å; C67-C82 PolarHBondContact SG-SG 2.95Å; E79-C82 PolarHBondContact O-SG 3.13Å; E79-C82 VanDerWaalsContact O-SG 3.38Å; E80-C82 PolarHBondContact O-N 3.33Å; E80-C82 VanDerWaalsContact O-N 3.14Å; C82-I84 HydrophobicContact CB-CG1 4.47Å; C82-I84 PolarHBondContact O-N 2.96Å | ||
| 83 | R | 51.1 | Low | 58.2 | Low | 175 Ų | 175 | 89.7 Ų | 89.7 | 66% | 0.66 | 51% | 0.505 | S | S | * | . | trans | -70.6 | 57.3 | 159.7 | -63.8 | -167.5 | -175.4 | 75.8 | 17 | 108.9 | D81 E85 | D81-R83 VanDerWaalsContact CG-NH1 3.31Å; D81-R83 PolarHBondContact O-N 3.24Å; D81-R83 IonicContact OD1-CZ 3.12Å; D81-R83 IonicContact OD1-NE 3.67Å; D81-R83 IonicContact OD1-NH1 3.87Å; D81-R83 PolarHBondContact OD1-NH1 3Å; D81-R83 IonicContact OD1-NH2 3.39Å; D81-R83 PolarHBondContact OD1-NH2 3.48Å; D81-R83 IonicContact OD2-CZ 3.46Å; D81-R83 IonicContact OD2-NH1 2.71Å; D81-R83 PolarHBondContact OD2-NH1 3.37Å; D81-R83 IonicContact OD2-NH2 3.37Å; R83-E85 PolarHBondContact O-N 3Å | ||
| 84 | I | 46.8 | Very low | 55.5 | Low | 109 Ų | 109 | 98.6 Ų | 98.6 | 56% | 0.559 | 55% | 0.546 | S | S | * | . | trans | -72.5 | 86.1 | 148.3 | -54 | -179.6 | 0 | 0 | 0 | 102.3 | C67 C82 S86 | C67-I84 HydrophobicContact CB-CD1 3.8Å; C67-I84 HydrophobicContact CB-CG1 4.31Å; C82-I84 HydrophobicContact CB-CG1 4.47Å; C82-I84 PolarHBondContact O-N 2.96Å; I84-S86 PolarHBondContact O-N 3.33Å | ||
| 85 | E | 35.6 | Very low | 53.1 | Low | 146 Ų | 146 | 99.3 Ų | 99.3 | 68% | 0.682 | 55% | 0.549 | S | S | * | . | trans | -55.4 | 103.4 | 152.7 | -78.7 | -167.9 | 171.5 | 0 | 0 | 104 | R83 C87 | R83-E85 PolarHBondContact O-N 3Å; E85-C87 PolarHBondContact O-N 3.06Å | ||
| 86 | S | 33.6 | Very low | 50.7 | Low | 88 Ų | 88 | 104.7 Ų | 104.7 | 62% | 0.615 | 57% | 0.572 | S | S | * | * | trans | -40.5 | 123.2 | 158.7 | -50.5 | 0 | 0 | 0 | 0 | 104.7 | I84 A88 | I84-S86 PolarHBondContact O-N 3.33Å; S86-A88 PolarHBondContact O-N 3.03Å | ||
| 87 | C | 37.3 | Very low | 48.6 | Very low | 128 Ų | 128 | 110.8 Ų | 110.8 | 87% | 0.865 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -67.9 | 68.1 | 174.8 | -62.1 | 0 | 0 | 0 | 0 | 108 | E85 | E85-C87 PolarHBondContact O-N 3.06Š|
| 88 | A | 34.3 | Very low | 46.3 | Very low | 66 Ų | 66 | 115 Ų | 115 | 55% | 0.545 | 65% | 0.649 | S | S | . | * | trans | -135 | 106.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 105.4 | S86 | S86-A88 PolarHBondContact O-N 3.03Š| ||
| 89 | Q | 33.2 | Very low | 44.2 | Very low | 189 Ų | 189 | 122 Ų | 122 | 88% | 0.883 | 69% | 0.686 | S | S | * | * | S | Bend | trans | 93.5 | 104.4 | 169.7 | -60.7 | 165.5 | 7.8 | 0 | 0 | 116.2 | ||
| 90 | N | 29.5 | Very low | 41.7 | Very low | 162 Ų | 162 | 125.8 Ų | 125.8 | 87% | 0.866 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 84.8 | 21 | 152.9 | -79.2 | 11 | 0 | 0 | 0 | 121 | Q92 | N90-Q92 PolarHBondContact O-N 2.93Š|
| 91 | G | 36.9 | Very low | 39.7 | Very low | 78 Ų | 78 | 125.2 Ų | 125.2 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | S | Bend | trans | 64.4 | 39.9 | 147.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 92 | Q | 30.2 | Very low | 38.4 | Very low | 181 Ų | 181 | 125.6 Ų | 125.6 | 85% | 0.846 | 73% | 0.733 | S | S | * | * | trans | -138.3 | 95.4 | 164.6 | -68.3 | -172.6 | -15.8 | 0 | 0 | 109.4 | N90 | N90-Q92 PolarHBondContact O-N 2.93Š| ||
| 93 | C | 34.4 | Very low | 37.4 | Very low | 99 Ų | 99 | 127.9 Ų | 127.9 | 67% | 0.669 | 75% | 0.748 | S | S | * | * | trans | -101.6 | 129.7 | 171.3 | -63.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 94 | Q | 30.3 | Very low | 36.9 | Very low | 187 Ų | 187 | 124.7 Ų | 124.7 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | trans | -101.9 | 115.3 | 167.7 | -162.3 | 158.9 | -64.1 | 0 | 0 | 107.5 | Q96 | Q94-Q96 PolarHBondContact O-N 2.77Š| ||
| 95 | P | 36.5 | Very low | 36.7 | Very low | 115 Ų | 115 | 126 Ų | 126 | 75% | 0.747 | 75% | 0.753 | S | S | * | * | trans | -74.8 | 129.7 | -173.1 | 28.3 | -31.2 | 0 | 0 | 0 | 110.3 | ||||
| 96 | Q | 35 | Very low | 37 | Very low | 159 Ų | 159 | 126.8 Ų | 126.8 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | -75 | 140.7 | 160.3 | -65.6 | -159.4 | -57 | 0 | 0 | 109.3 | Q94 A98 | Q94-Q96 PolarHBondContact O-N 2.77Å; Q96-A98 PolarHBondContact O-N 3.45Å | ||
| 97 | S | 38.3 | Very low | 37.2 | Very low | 133 Ų | 133 | 128 Ų | 128 | 93% | 0.93 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 39.3 | -152.5 | -38.4 | 0 | 0 | 0 | 0 | 116.4 | ||
| 98 | A | 38.4 | Very low | 37.3 | Very low | 91 Ų | 91 | 125.1 Ų | 125.1 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.9 | 8.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q96 | Q96-A98 PolarHBondContact O-N 3.45Š|
| 99 | L | 38.9 | Very low | 37.6 | Very low | 149 Ų | 149 | 127.2 Ų | 127.2 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -109.6 | 129.5 | 170.7 | -75.3 | 93.2 | 0 | 0 | 0 | 110.8 | C101 | L99-C101 PolarHBondContact O-N 3.16Š|
| 100 | P | 36.3 | Very low | 38 | Very low | 127 Ų | 127 | 123.2 Ų | 123.2 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 125.9 | 174.4 | 26.9 | -31.4 | 0 | 0 | 0 | 108.4 | S102 | P100-S102 PolarHBondContact O-N 3Š|
| 101 | C | 38.2 | Very low | 38.4 | Very low | 111 Ų | 111 | 122.5 Ų | 122.5 | 75% | 0.75 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 120.9 | -179.8 | -47.4 | 0 | 0 | 0 | 0 | 109.6 | L99 C103 | L99-C101 PolarHBondContact O-N 3.16Å; C101-C103 PolarHBondContact O-N 2.73Å |
| 102 | S | 43.4 | Very low | 39 | Very low | 104 Ų | 104 | 124 Ų | 124 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 118.7 | 172 | 176.9 | 0 | 0 | 0 | 0 | 108.9 | P100 D104 | P100-S102 PolarHBondContact O-N 3Å; S102-D104 PolarHBondContact O-N 2.94Å; S102-D104 VanDerWaalsContact O-N 3.14Å |
| 103 | C | 46.3 | Very low | 39.7 | Very low | 88 Ų | 88 | 120.3 Ų | 120.3 | 60% | 0.595 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 25.6 | -171.2 | -103.7 | 0 | 0 | 0 | 0 | 111.9 | C101 C119 | C101-C103 PolarHBondContact O-N 2.73Å; C103-C119 WeakPolarHBondContact CB-SG 3.48Å; C103-C119 WeakPolarHBondContact SG-CB 3.28Å; C103-C119 CovalentContact SG-SG 2.12Å; C103-C119 PolarHBondContact SG-SG 3.05Å |
| 104 | D | 42.4 | Very low | 40.2 | Very low | 108 Ų | 108 | 122.3 Ų | 122.3 | 58% | 0.578 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | 5.3 | -168.4 | -82.5 | -24.9 | 0 | 0 | 0 | 118 | S102 | S102-D104 PolarHBondContact O-N 2.94Å; S102-D104 VanDerWaalsContact O-N 3.14Å |
| 105 | N | 40.8 | Very low | 40.9 | Very low | 138 Ų | 138 | 122.1 Ų | 122.1 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | trans | -157.6 | 99.9 | 161.3 | -133.7 | -43.1 | 0 | 0 | 0 | 113.2 | S107 | N105-S107 PolarHBondContact O-N 2.85Š| ||
| 106 | I | 42 | Very low | 41.3 | Very low | 161 Ų | 161 | 123.8 Ų | 123.8 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 74.6 | 175.7 | 11.2 | 169.4 | 0 | 0 | 0 | 110.5 | ||
| 107 | S | 38.2 | Very low | 41.7 | Very low | 114 Ų | 114 | 123.6 Ų | 123.6 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.9 | 9.1 | 158.9 | 69.4 | 0 | 0 | 0 | 0 | 114.2 | N105 | N105-S107 PolarHBondContact O-N 2.85Š|
| 108 | G | 40.9 | Very low | 41.8 | Very low | 68 Ų | 68 | 123.3 Ų | 123.3 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -122.8 | -5.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | S110 | G108-S110 PolarHBondContact O-N 3.43Š|
| 109 | C | 39.2 | Very low | 42.1 | Very low | 110 Ų | 110 | 122.7 Ų | 122.7 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | trans | -83.7 | 85.3 | 179.4 | -57.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 110 | S | 42 | Very low | 42.6 | Very low | 105 Ų | 105 | 119.6 Ų | 119.6 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | trans | -73.6 | 134.4 | 164.3 | -154.9 | 0 | 0 | 0 | 0 | 108.7 | G108 | G108-S110 PolarHBondContact O-N 3.43Š| ||
| 111 | D | 38.9 | Very low | 43.5 | Very low | 146 Ų | 146 | 119 Ų | 119 | 78% | 0.781 | 70% | 0.703 | S | S | * | * | trans | 85.3 | 88.9 | 177 | -50.6 | -26.3 | 0 | 0 | 0 | 115.7 | S113 | D111-S113 PolarHBondContact O-N 3.2Š| ||
| 112 | V | 48.1 | Very low | 44.6 | Very low | 110 Ų | 110 | 118.1 Ų | 118.1 | 67% | 0.667 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | 99.3 | 160.4 | 176.4 | 0 | 0 | 0 | 0 | 109.5 | ||
| 113 | S | 46.1 | Very low | 45.7 | Very low | 104 Ų | 104 | 119.2 Ų | 119.2 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.3 | -20.3 | 153.9 | -78 | 0 | 0 | 0 | 0 | 115.3 | D111 | D111-S113 PolarHBondContact O-N 3.2Š|
| 114 | D | 44.2 | Very low | 47.1 | Very low | 140 Ų | 140 | 116.5 Ų | 116.5 | 75% | 0.749 | 68% | 0.682 | S | S | * | * | trans | -116.7 | 46.4 | -178.9 | -66 | -45.5 | 0 | 0 | 0 | 113.7 | N116 L117 | D114-N116 PolarHBondContact O-N 2.62Å; D114-L117 PolarHBondContact O-N 3.12Å | ||
| 115 | K | 44.9 | Very low | 48.8 | Very low | 183 Ų | 183 | 118.5 Ų | 118.5 | 80% | 0.796 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | 12.1 | 166.4 | -57 | -162.3 | 179.9 | -169.5 | 0 | 113.7 | ||
| 116 | N | 44.3 | Very low | 49.6 | Very low | 150 Ų | 150 | 121.1 Ų | 121.1 | 80% | 0.802 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.5 | 9.2 | 178.3 | -163.7 | 47.9 | 0 | 0 | 0 | 112.7 | D114 N118 | D114-N116 PolarHBondContact O-N 2.62Å; N116-N118 PolarHBondContact O-N 3.08Å; N116-N118 VanDerWaalsContact O-N 3.14Å |
| 117 | L | 44.1 | Very low | 50.8 | Low | 156 Ų | 156 | 118 Ų | 118 | 82% | 0.817 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -76.8 | 101.8 | 157.5 | -147 | 74.8 | 0 | 0 | 0 | 106.7 | D114 C119 | D114-L117 PolarHBondContact O-N 3.12Å; L117-C119 VanDerWaalsContact C-N 3.31Å; L117-C119 PolarHBondContact O-N 3.22Å |
| 118 | N | 40.7 | Very low | 52.7 | Low | 126 Ų | 126 | 116.5 Ų | 116.5 | 67% | 0.674 | 67% | 0.668 | S | S | * | * | trans | -47.7 | 83.3 | -179.1 | -165.4 | 17.3 | 0 | 0 | 0 | 112.1 | N116 S120 | N116-N118 PolarHBondContact O-N 3.08Å; N116-N118 VanDerWaalsContact O-N 3.14Å; N118-S120 PolarHBondContact ND2-OG 3.02Å; N118-S120 PolarHBondContact O-N 3.4Å; N118-S120 WeakPolarHBondContact OD1-CA 3.41Å; N118-S120 VanDerWaalsContact OD1-CB 3.24Å; N118-S120 WeakPolarHBondContact OD1-CB 3.38Å; N118-S120 PolarHBondContact OD1-OG 3.07Å | ||
| 119 | C | 44.2 | Very low | 54.4 | Low | 78 Ų | 78 | 114.6 Ų | 114.6 | 53% | 0.527 | 64% | 0.641 | S | S | . | * | trans | -64.5 | 74.2 | 152.8 | -89.7 | 0 | 0 | 0 | 0 | 104.8 | C103 L117 R121 | C103-C119 WeakPolarHBondContact CB-SG 3.48Å; C103-C119 WeakPolarHBondContact SG-CB 3.28Å; C103-C119 CovalentContact SG-SG 2.12Å; C103-C119 PolarHBondContact SG-SG 3.05Å; L117-C119 VanDerWaalsContact C-N 3.31Å; L117-C119 PolarHBondContact O-N 3.22Å; C119-R121 PolarHBondContact O-N 3.46Å; C119-R121 VanDerWaalsContact O-N 3.14Å | ||
| 120 | S | 48.9 | Very low | 56.4 | Low | 84 Ų | 84 | 110.8 Ų | 110.8 | 59% | 0.587 | 61% | 0.613 | S | S | * | * | trans | -74.1 | 5.7 | -174.2 | -120.7 | 0 | 0 | 0 | 0 | 113.2 | N118 | N118-S120 PolarHBondContact ND2-OG 3.02Å; N118-S120 PolarHBondContact O-N 3.4Å; N118-S120 WeakPolarHBondContact OD1-CA 3.41Å; N118-S120 VanDerWaalsContact OD1-CB 3.24Å; N118-S120 WeakPolarHBondContact OD1-CB 3.38Å; N118-S120 PolarHBondContact OD1-OG 3.07Å | ||
| 121 | R | 55.9 | Low | 58.4 | Low | 116 Ų | 116 | 105.9 Ų | 105.9 | 44% | 0.438 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -80.5 | 126.8 | 179.3 | -71.6 | -176.7 | 156.1 | 175.5 | -2.8 | 108.8 | C119 M132 L133 D135 | C119-R121 PolarHBondContact O-N 3.46Å; C119-R121 VanDerWaalsContact O-N 3.14Å; R121-M132 PolarHBondContact NH1-O 3.14Å; R121-L133 PolarHBondContact NH2-O 2.75Å; R121-D135 WeakPolarHBondContact CD-OD1 3.49Å; R121-D135 WeakPolarHBondContact CG-OD1 3Å; R121-D135 IonicContact CZ-OD1 2.96Å; R121-D135 IonicContact NE-OD1 2.98Å; R121-D135 PolarHBondContact NE-OD1 3.14Å; R121-D135 IonicContact NH2-OD1 2.86Å; R121-D135 PolarHBondContact NH2-OD1 3.48Å |
| 122 | P | 61.9 | Low | 60.2 | Low | 91 Ų | 91 | 104.9 Ų | 104.9 | 59% | 0.591 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 133 | 175 | -22.2 | 31.9 | 0 | 0 | 0 | 109.9 | C124 | P122-C124 PolarHBondContact O-N 3.44Š|
| 123 | P | 64.9 | Low | 61.3 | Low | 127 Ų | 127 | 105.8 Ų | 105.8 | 83% | 0.825 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 134 | 174.3 | 26.6 | -32.8 | 0 | 0 | 0 | 109.6 | ||
| 124 | C | 77.1 | Confident | 62.5 | Low | 32 Ų | 32 | 103.3 Ų | 103.3 | 22% | 0.216 | 55% | 0.549 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 162.9 | 170.4 | -57.5 | 0 | 0 | 0 | 0 | 110.7 | P122 E128 H130 C137 | P122-C124 PolarHBondContact O-N 3.44Å; C124-E128 HydrophobicContact CB-CB 3.66Å; C124-H130 PolarHBondContact SG-ND1 3.38Å; C124-C137 VanDerWaalsContact CA-SG 3.56Å; C124-C137 HydrophobicContact CB-CB 3.78Å; C124-C137 WeakPolarHBondContact CB-SG 3.46Å; C124-C137 WeakPolarHBondContact SG-CB 3.39Å; C124-C137 CovalentContact SG-SG 2.04Å; C124-C137 PolarHBondContact SG-SG 3.24Å |
| 125 | Q | 77.9 | Confident | 63.9 | Low | 149 Ų | 149 | 101.7 Ų | 101.7 | 70% | 0.696 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 159.3 | 175.8 | -62.9 | -141.9 | -16.8 | 0 | 0 | 111.5 | S127 E128 | Q125-S127 PolarHBondContact O-N 2.02Å; Q125-S127 VanDerWaalsContact O-N 3.12Å; Q125-E128 HydrophobicContact CB-CG 4.43Å; Q125-E128 WeakPolarHBondContact CB-OE2 3.39Å; Q125-E128 PolarHBondContact N-OE2 2.78Å; Q125-E128 PolarHBondContact O-N 3.39Å |
| 126 | E | 57.7 | Low | 65.8 | Low | 194 Ų | 194 | 96.4 Ų | 96.4 | 91% | 0.907 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 119.1 | 173.8 | -168.1 | 164.4 | -154.1 | 0 | 0 | 108.4 | ||
| 127 | S | 66.6 | Low | 67.8 | Low | 95 Ų | 95 | 91.6 Ų | 91.6 | 66% | 0.664 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.5 | 6.5 | -171.4 | 77.2 | 0 | 0 | 0 | 0 | 118.6 | Q125 H140 | Q125-S127 PolarHBondContact O-N 2.02Å; Q125-S127 VanDerWaalsContact O-N 3.12Å; S127-H140 WeakPolarHBondContact O-CB 3.39Å; S127-H140 PolarHBondContact O-N 3.38Å |
| 128 | E | 78.3 | Confident | 69.7 | Low | 83 Ų | 83 | 84.4 Ų | 84.4 | 39% | 0.388 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 146.9 | 169.3 | -67.7 | 173.1 | 166.9 | 0 | 0 | 110.7 | C124 Q125 C137 I138 | C124-E128 HydrophobicContact CB-CB 3.66Å; Q125-E128 HydrophobicContact CB-CG 4.43Å; Q125-E128 WeakPolarHBondContact CB-OE2 3.39Å; Q125-E128 PolarHBondContact N-OE2 2.78Å; Q125-E128 PolarHBondContact O-N 3.39Å; E128-C137 HydrophobicContact CB-CB 4.22Å; E128-I138 CarbonylContact C-O 3.51Å; E128-I138 VanDerWaalsContact CA-O 3.25Å; E128-I138 WeakPolarHBondContact CA-O 3.34Å |
| 129 | L | 76.2 | Confident | 71.9 | Confident | 27 Ų | 27 | 80.5 Ų | 80.5 | 14% | 0.141 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 149.7 | 174.6 | 67.5 | 119.3 | 0 | 0 | 0 | 110.6 | C137 I138 P139 H140 R143 | L129-C137 CarbonylContact O-C 3.53Å; L129-C137 VanDerWaalsContact O-CA 3.26Å; L129-C137 WeakPolarHBondContact O-CA 3.36Å; L129-I138 HydrophobicContact CD1-CD1 3.83Å; L129-I138 HydrophobicContact CD1-CG1 3.59Å; L129-I138 HydrophobicContact CD2-CD1 4.26Å; L129-I138 HydrophobicContact CD2-CG1 3.75Å; L129-I138 HydrophobicContact CG-CD1 4.16Å; L129-I138 HydrophobicContact CG-CG1 3.44Å; L129-I138 VanDerWaalsContact CG-CG1 3.44Å; L129-I138 PolarHBondContact N-O 3.3Å; L129-I138 PolarHBondContact O-N 3.02Å; L129-P139 VanDerWaalsContact CD2-O 3.31Å; L129-P139 WeakPolarHBondContact CD2-O 3.34Å; L129-H140 VanDerWaalsContact CD2-CA 3.46Å; L129-H140 HydrophobicContact CD2-CB 4.46Å; L129-R143 HydrophobicContact CD2-CB 3.92Å |
| 130 | H | 80.4 | Confident | 73.5 | Confident | 31 Ų | 31 | 83 Ų | 83 | 14% | 0.144 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 136.8 | 179.6 | -148.4 | 76 | 0 | 0 | 0 | 110.2 | C124 D134 D135 | C124-H130 PolarHBondContact SG-ND1 3.38Å; H130-D134 PolarHBondContact NE2-O 2.12Å; H130-D135 WeakPolarHBondContact NE2-CA 2.92Å; H130-D135 IonicContact NE2-OD1 3.8Å |
| 131 | C | 85.3 | Confident | 75 | Confident | 2 Ų | 2 | 84 Ų | 84 | 1% | 0.014 | 45% | 0.452 | C | S | . | . | trans | -64.9 | 153 | 168.8 | -60.1 | 0 | 0 | 0 | 0 | 110.2 | D134 V136 C150 | C131-D134 HydrophobicContact CB-CB 4.47Å; C131-V136 PolarHBondContact N-O 3.08Å; C131-C150 VanDerWaalsContact CA-SG 3.59Å; C131-C150 HydrophobicContact CB-CB 3.77Å; C131-C150 WeakPolarHBondContact CB-SG 3.22Å; C131-C150 WeakPolarHBondContact SG-CB 3.21Å; C131-C150 CovalentContact SG-SG 2.04Å; C131-C150 PolarHBondContact SG-SG 3.44Å | ||
| 132 | M | 77.4 | Confident | 76.5 | Confident | 125 Ų | 125 | 83.5 Ų | 83.5 | 62% | 0.616 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -71.2 | -46.8 | -174.6 | -67.4 | 180 | -164.5 | 0 | 0 | 112.2 | R121 D152 S154 | R121-M132 PolarHBondContact NH1-O 3.14Å; M132-D152 WeakPolarHBondContact CB-OD2 3.11Å; M132-D152 PolarHBondContact N-OD2 2.86Å; M132-S154 VanDerWaalsContact CG-CB 3.49Å; M132-S154 PolarHBondContact N-OG 3.02Å; M132-S154 VanDerWaalsContact N-OG 3.07Å |
| 133 | L | 71.1 | Confident | 77.5 | Confident | 128 Ų | 128 | 84.6 Ų | 84.6 | 67% | 0.67 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -90 | -34.4 | -177.4 | -70.1 | 178.8 | 0 | 0 | 0 | 113.8 | R121 D152 | R121-L133 PolarHBondContact NH2-O 2.75Å; L133-D152 HydrophobicContact CB-CB 4.03Å; L133-D152 WeakPolarHBondContact CB-OD2 3.22Å; L133-D152 HydrophobicContact CD1-CB 3.72Å; L133-D152 HydrophobicContact CG-CB 4.08Å; L133-D152 WeakPolarHBondContact CG-OD2 3.25Å; L133-D152 PolarHBondContact N-OD2 3.02Å |
| 134 | D | 70.1 | Confident | 78.6 | Confident | 52 Ų | 52 | 80.8 Ų | 80.8 | 28% | 0.278 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -104.7 | 155.1 | -174.6 | -67.1 | -75.2 | 0 | 0 | 0 | 113.5 | H130 C131 V136 L151 | H130-D134 PolarHBondContact NE2-O 2.12Å; C131-D134 HydrophobicContact CB-CB 4.47Å; D134-V136 HydrophobicContact CB-CB 4.36Å; D134-V136 HydrophobicContact CB-CG2 4.01Å; D134-V136 PolarHBondContact O-N 3.46Å; D134-L151 WeakPolarHBondContact OD2-CB 3.31Å |
| 135 | D | 74.2 | Confident | 78.9 | Confident | 107 Ų | 107 | 83.1 Ų | 83.1 | 57% | 0.572 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -77.7 | 32 | 174.8 | -59.9 | -33.5 | 0 | 0 | 0 | 112.6 | R121 H130 | R121-D135 WeakPolarHBondContact CD-OD1 3.49Å; R121-D135 WeakPolarHBondContact CG-OD1 3Å; R121-D135 IonicContact CZ-OD1 2.96Å; R121-D135 IonicContact NE-OD1 2.98Å; R121-D135 PolarHBondContact NE-OD1 3.14Å; R121-D135 IonicContact NH2-OD1 2.86Å; R121-D135 PolarHBondContact NH2-OD1 3.48Å; H130-D135 WeakPolarHBondContact NE2-CA 2.92Å; H130-D135 IonicContact NE2-OD1 3.8Å |
| 136 | V | 83.6 | Confident | 79 | Confident | 72 Ų | 72 | 79 Ų | 79 | 44% | 0.436 | 43% | 0.427 | S | S | . | . | trans | -97.5 | 129.7 | -176.1 | 175.7 | 0 | 0 | 0 | 0 | 109.2 | C131 D134 I138 | C131-V136 PolarHBondContact N-O 3.08Å; D134-V136 HydrophobicContact CB-CB 4.36Å; D134-V136 HydrophobicContact CB-CG2 4.01Å; D134-V136 PolarHBondContact O-N 3.46Å; V136-I138 HydrophobicContact CG1-CG2 4.05Å | ||
| 137 | C | 86.9 | Confident | 80.3 | Confident | 48 Ų | 48 | 74.9 Ų | 74.9 | 32% | 0.324 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 129.2 | 172.5 | -61.2 | 0 | 0 | 0 | 0 | 109.3 | C124 E128 L129 | C124-C137 VanDerWaalsContact CA-SG 3.56Å; C124-C137 HydrophobicContact CB-CB 3.78Å; C124-C137 WeakPolarHBondContact CB-SG 3.46Å; C124-C137 WeakPolarHBondContact SG-CB 3.39Å; C124-C137 CovalentContact SG-SG 2.04Å; C124-C137 PolarHBondContact SG-SG 3.24Å; E128-C137 HydrophobicContact CB-CB 4.22Å; L129-C137 CarbonylContact O-C 3.53Å; L129-C137 VanDerWaalsContact O-CA 3.26Å; L129-C137 WeakPolarHBondContact O-CA 3.36Å |
| 138 | I | 84.8 | Confident | 81.3 | Confident | 5 Ų | 5 | 73.6 Ų | 73.6 | 3% | 0.026 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 155.4 | 174.4 | 70.4 | 170.4 | 0 | 0 | 0 | 110.7 | E128 L129 V136 W142 D149 D155 | E128-I138 CarbonylContact C-O 3.51Å; E128-I138 VanDerWaalsContact CA-O 3.25Å; E128-I138 WeakPolarHBondContact CA-O 3.34Å; L129-I138 HydrophobicContact CD1-CD1 3.83Å; L129-I138 HydrophobicContact CD1-CG1 3.59Å; L129-I138 HydrophobicContact CD2-CD1 4.26Å; L129-I138 HydrophobicContact CD2-CG1 3.75Å; L129-I138 HydrophobicContact CG-CD1 4.16Å; L129-I138 HydrophobicContact CG-CG1 3.44Å; L129-I138 VanDerWaalsContact CG-CG1 3.44Å; L129-I138 PolarHBondContact N-O 3.3Å; L129-I138 PolarHBondContact O-N 3.02Å; V136-I138 HydrophobicContact CG1-CG2 4.05Å; I138-W142 HydrophobicContact CB-CE3 3.93Å; I138-W142 HydrophobicContact CD1-CB 3.92Å; I138-W142 HydrophobicContact CG1-CB 4.46Å; I138-W142 HydrophobicContact CG2-CE3 4.24Å; I138-D149 HydrophobicContact CD1-CB 4.01Å; I138-D149 HydrophobicContact CG2-CB 4.35Å; I138-D155 HydrophobicContact CD1-CB 3.44Å; I138-D155 VanDerWaalsContact CD1-CB 3.44Å |
| 139 | P | 86.4 | Confident | 81.8 | Confident | 45 Ų | 45 | 71.5 Ų | 71.5 | 29% | 0.292 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 144.4 | 174.3 | -23.3 | 34.3 | 0 | 0 | 0 | 112.9 | L129 T141 W142 | L129-P139 VanDerWaalsContact CD2-O 3.31Å; L129-P139 WeakPolarHBondContact CD2-O 3.34Å; P139-T141 PolarHBondContact O-N 2.99Å; P139-W142 HydrophobicContact CB-CD2 4.44Å; P139-W142 HydrophobicContact CB-CG 4.28Å; P139-W142 HydrophobicContact CG-CD2 3.93Å; P139-W142 HydrophobicContact CG-CE3 4.32Å; P139-W142 HydrophobicContact CG-CG 4.29Å; P139-W142 HydrophobicContact CG-CZ2 4.28Å; P139-W142 WeakPolarHBondContact O-CB 3.49Å; P139-W142 PolarHBondContact O-N 2.99Å |
| 140 | H | 78.8 | Confident | 82.3 | Confident | 129 Ų | 129 | 70.4 Ų | 70.4 | 60% | 0.597 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -54.7 | -24.2 | 173.7 | -168 | -65.2 | 0 | 0 | 0 | 113.9 | S127 L129 W142 R143 | S127-H140 WeakPolarHBondContact O-CB 3.39Å; S127-H140 PolarHBondContact O-N 3.38Å; L129-H140 VanDerWaalsContact CD2-CA 3.46Å; L129-H140 HydrophobicContact CD2-CB 4.46Å; H140-W142 PolarHBondContact O-N 3.47Å; H140-R143 PolarHBondContact O-N 3.07Å |
| 141 | T | 78.6 | Confident | 82.6 | Confident | 107 Ų | 107 | 76.1 Ų | 76.1 | 66% | 0.656 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -71.7 | -14.4 | 176.5 | 51.1 | 0 | 0 | 0 | 0 | 114.4 | P139 | P139-T141 PolarHBondContact O-N 2.99Š|
| 142 | W | 88.2 | Confident | 82.5 | Confident | 105 Ų | 105 | 77.7 Ų | 77.7 | 40% | 0.398 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -96.8 | 1.4 | 180 | -64 | -1.9 | 0 | 0 | 0 | 112.1 | I138 P139 H140 D149 | I138-W142 HydrophobicContact CB-CE3 3.93Å; I138-W142 HydrophobicContact CD1-CB 3.92Å; I138-W142 HydrophobicContact CG1-CB 4.46Å; I138-W142 HydrophobicContact CG2-CE3 4.24Å; P139-W142 HydrophobicContact CB-CD2 4.44Å; P139-W142 HydrophobicContact CB-CG 4.28Å; P139-W142 HydrophobicContact CG-CD2 3.93Å; P139-W142 HydrophobicContact CG-CE3 4.32Å; P139-W142 HydrophobicContact CG-CG 4.29Å; P139-W142 HydrophobicContact CG-CZ2 4.28Å; P139-W142 WeakPolarHBondContact O-CB 3.49Å; P139-W142 PolarHBondContact O-N 2.99Å; H140-W142 PolarHBondContact O-N 3.47Å; W142-D149 HydrophobicContact CB-CB 4.42Å; W142-D149 WeakPolarHBondContact CB-OD2 3.2Å; W142-D149 HydrophobicContact CD2-CB 4.47Å; W142-D149 HydrophobicContact CE3-CB 3.68Å; W142-D149 VanDerWaalsContact CE3-OD1 3.3Å; W142-D149 HydrophobicContact CZ3-CB 4.33Å; W142-D149 WeakPolarHBondContact CZ3-OD1 3.39Å |
| 143 | R | 83.7 | Confident | 82.8 | Confident | 113 Ų | 113 | 74 Ų | 74 | 43% | 0.426 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 122.9 | 169.4 | -171.8 | 173.9 | -176.2 | -78.9 | -9.6 | 108.8 | L129 H140 D145 | L129-R143 HydrophobicContact CD2-CB 3.92Å; H140-R143 PolarHBondContact O-N 3.07Å; R143-D145 VanDerWaalsContact C-N 3.27Å; R143-D145 PolarHBondContact O-N 3.39Å |
| 144 | C | 86.9 | Confident | 83.4 | Confident | 47 Ų | 47 | 68.3 Ų | 68.3 | 32% | 0.318 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 36 | 177.7 | -56.3 | 0 | 0 | 0 | 0 | 113.4 | G146 D155 E156 C159 | C144-G146 VanDerWaalsContact C-N 3.32Å; C144-D155 PolarHBondContact N-O 2.99Å; C144-E156 VanDerWaalsContact CA-OE1 3.23Å; C144-E156 WeakPolarHBondContact CA-OE1 3.35Å; C144-E156 PolarHBondContact N-OE1 3.37Å; C144-C159 WeakPolarHBondContact CA-SG 3.24Å; C144-C159 HydrophobicContact CB-CB 3.66Å; C144-C159 WeakPolarHBondContact CB-SG 3.47Å; C144-C159 WeakPolarHBondContact SG-CA 3.27Å; C144-C159 WeakPolarHBondContact SG-CB 3.45Å; C144-C159 CovalentContact SG-SG 2.02Å; C144-C159 PolarHBondContact SG-SG 3.28Å |
| 145 | D | 84.5 | Confident | 84.2 | Confident | 81 Ų | 81 | 65.9 Ų | 65.9 | 43% | 0.433 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -90.9 | -2.9 | 177.2 | 87 | -12.1 | 0 | 0 | 0 | 112.4 | R143 H147 E156 | R143-D145 VanDerWaalsContact C-N 3.27Å; R143-D145 PolarHBondContact O-N 3.39Å; D145-H147 WeakPolarHBondContact OD1-CA 3.47Å; D145-H147 VanDerWaalsContact OD1-CB 3.23Å; D145-H147 WeakPolarHBondContact OD1-CB 3.44Å; D145-H147 PolarHBondContact OD1-N 3.26Å; D145-E156 PolarHBondContact N-OE1 3.02Å |
| 146 | G | 79.3 | Confident | 85 | Confident | 64 Ų | 64 | 63.2 Ų | 63.2 | 66% | 0.66 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 87.8 | 8.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | C144 E156 | C144-G146 VanDerWaalsContact C-N 3.32Å; G146-E156 VanDerWaalsContact CA-OE2 3.28Å; G146-E156 WeakPolarHBondContact CA-OE2 3.02Å; G146-E156 PolarHBondContact N-OE1 2.87Å; G146-E156 PolarHBondContact N-OE2 3.05Å; G146-E156 VanDerWaalsContact N-OE2 3.08Å |
| 147 | H | 84.8 | Confident | 84.9 | Confident | 106 Ų | 106 | 64.4 Ų | 64.4 | 49% | 0.491 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -118.6 | 129.5 | 174.5 | -175.7 | 48.2 | 0 | 0 | 0 | 110.7 | D145 D149 D155 E156 | D145-H147 WeakPolarHBondContact OD1-CA 3.47Å; D145-H147 VanDerWaalsContact OD1-CB 3.23Å; D145-H147 WeakPolarHBondContact OD1-CB 3.44Å; D145-H147 PolarHBondContact OD1-N 3.26Å; H147-D149 VanDerWaalsContact CD2-CG 3.43Å; H147-D149 IonicContact CD2-OD1 3.8Å; H147-D149 PolarHBondContact CD2-OD1 3.22Å; H147-D149 IonicContact CD2-OD2 3.03Å; H147-D149 PolarHBondContact CD2-OD2 3.28Å; H147-D149 IonicContact NE2-OD1 3.61Å; H147-D149 PolarHBondContact O-N 3Å; H147-D155 VanDerWaalsContact O-OD2 3.05Å; H147-E156 WeakPolarHBondContact O-CG 3.45Å |
| 148 | P | 87.4 | Confident | 84.2 | Confident | 69 Ų | 69 | 66.6 Ų | 66.6 | 45% | 0.448 | 37% | 0.369 | S | S | . | . | trans | -75.4 | 96.5 | 172.4 | 29.5 | -34.6 | 0 | 0 | 0 | 110.4 | S153 | P148-S153 WeakPolarHBondContact CB-OG 3.29Š| ||
| 149 | D | 89.1 | Confident | 83.9 | Confident | 39 Ų | 39 | 68.1 Ų | 68.1 | 21% | 0.209 | 38% | 0.38 | C | S | . | . | trans | -87.6 | -27.7 | 175.2 | -75.8 | -67.1 | 0 | 0 | 0 | 112.5 | I138 W142 H147 D155 | I138-D149 HydrophobicContact CD1-CB 4.01Å; I138-D149 HydrophobicContact CG2-CB 4.35Å; W142-D149 HydrophobicContact CB-CB 4.42Å; W142-D149 WeakPolarHBondContact CB-OD2 3.2Å; W142-D149 HydrophobicContact CD2-CB 4.47Å; W142-D149 HydrophobicContact CE3-CB 3.68Å; W142-D149 VanDerWaalsContact CE3-OD1 3.3Å; W142-D149 HydrophobicContact CZ3-CB 4.33Å; W142-D149 WeakPolarHBondContact CZ3-OD1 3.39Å; H147-D149 VanDerWaalsContact CD2-CG 3.43Å; H147-D149 IonicContact CD2-OD1 3.8Å; H147-D149 PolarHBondContact CD2-OD1 3.22Å; H147-D149 IonicContact CD2-OD2 3.03Å; H147-D149 PolarHBondContact CD2-OD2 3.28Å; H147-D149 IonicContact NE2-OD1 3.61Å; H147-D149 PolarHBondContact O-N 3Å; D149-D155 WeakPolarHBondContact CA-OD2 3.23Å; D149-D155 WeakPolarHBondContact CB-OD2 3.04Å; D149-D155 PolarHBondContact N-OD2 3.15Å | ||
| 150 | C | 87.7 | Confident | 83.2 | Confident | 4 Ų | 4 | 73 Ų | 73 | 3% | 0.027 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -83.8 | 146.7 | 168.6 | -65.9 | 0 | 0 | 0 | 0 | 111.6 | C131 D152 S153 D155 | C131-C150 VanDerWaalsContact CA-SG 3.59Å; C131-C150 HydrophobicContact CB-CB 3.77Å; C131-C150 WeakPolarHBondContact CB-SG 3.22Å; C131-C150 WeakPolarHBondContact SG-CB 3.21Å; C131-C150 CovalentContact SG-SG 2.04Å; C131-C150 PolarHBondContact SG-SG 3.44Å; C150-D152 WeakPolarHBondContact CB-OD1 3.11Å; C150-D152 PolarHBondContact O-N 3.29Å; C150-S153 PolarHBondContact O-N 2.83Å; C150-D155 HydrophobicContact CB-CB 4.45Å; C150-D155 WeakPolarHBondContact CB-OD1 3.43Å; C150-D155 PolarHBondContact N-OD1 3.07Å; C150-D155 PolarHBondContact N-OD2 3.19Å |
| 151 | L | 85.9 | Confident | 82.5 | Confident | 150 Ų | 150 | 72.3 Ų | 72.3 | 79% | 0.785 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -31.5 | 176.6 | 178.4 | 65.4 | 0 | 0 | 0 | 112.2 | D134 | D134-L151 WeakPolarHBondContact OD2-CB 3.31Š|
| 152 | D | 82.2 | Confident | 81.2 | Confident | 36 Ų | 36 | 72.5 Ų | 72.5 | 19% | 0.193 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 2.8 | 174.4 | 67.9 | -12.8 | 0 | 0 | 0 | 113.6 | M132 L133 C150 S154 | M132-D152 WeakPolarHBondContact CB-OD2 3.11Å; M132-D152 PolarHBondContact N-OD2 2.86Å; L133-D152 HydrophobicContact CB-CB 4.03Å; L133-D152 WeakPolarHBondContact CB-OD2 3.22Å; L133-D152 HydrophobicContact CD1-CB 3.72Å; L133-D152 HydrophobicContact CG-CB 4.08Å; L133-D152 WeakPolarHBondContact CG-OD2 3.25Å; L133-D152 PolarHBondContact N-OD2 3.02Å; C150-D152 WeakPolarHBondContact CB-OD1 3.11Å; C150-D152 PolarHBondContact O-N 3.29Å; D152-S154 VanDerWaalsContact CG-OG 3.23Å; D152-S154 PolarHBondContact O-N 2.85Å; D152-S154 VanDerWaalsContact O-N 3.08Å; D152-S154 VanDerWaalsContact OD1-CB 3.22Å; D152-S154 WeakPolarHBondContact OD1-CB 3.17Å; D152-S154 PolarHBondContact OD1-N 3.24Å; D152-S154 VanDerWaalsContact OD1-N 3.12Å; D152-S154 PolarHBondContact OD1-OG 2.92Å; D152-S154 WeakPolarHBondContact OD2-CB 3.46Å; D152-S154 PolarHBondContact OD2-OG 3.01Å |
| 153 | S | 84.8 | Confident | 79.8 | Confident | 48 Ų | 48 | 73.3 Ų | 73.3 | 34% | 0.336 | 42% | 0.422 | S | S | . | . | trans | 54.3 | 22.8 | -176 | -50.6 | 0 | 0 | 0 | 0 | 113.8 | P148 C150 D155 E156 | P148-S153 WeakPolarHBondContact CB-OG 3.29Å; C150-S153 PolarHBondContact O-N 2.83Å; S153-D155 VanDerWaalsContact CA-OD1 3.28Å; S153-D155 WeakPolarHBondContact CA-OD1 2.95Å; S153-D155 PolarHBondContact O-N 3.09Å; S153-E156 PolarHBondContact O-N 2.57Å | ||
| 154 | S | 84.1 | Confident | 78.4 | Confident | 8 Ų | 8 | 76 Ų | 76 | 6% | 0.056 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -64.5 | -21.2 | -177.8 | 54.2 | 0 | 0 | 0 | 0 | 113.9 | M132 D152 E156 L157 | M132-S154 VanDerWaalsContact CG-CB 3.49Å; M132-S154 PolarHBondContact N-OG 3.02Å; M132-S154 VanDerWaalsContact N-OG 3.07Å; D152-S154 VanDerWaalsContact CG-OG 3.23Å; D152-S154 PolarHBondContact O-N 2.85Å; D152-S154 VanDerWaalsContact O-N 3.08Å; D152-S154 VanDerWaalsContact OD1-CB 3.22Å; D152-S154 WeakPolarHBondContact OD1-CB 3.17Å; D152-S154 PolarHBondContact OD1-N 3.24Å; D152-S154 VanDerWaalsContact OD1-N 3.12Å; D152-S154 PolarHBondContact OD1-OG 2.92Å; D152-S154 WeakPolarHBondContact OD2-CB 3.46Å; D152-S154 PolarHBondContact OD2-OG 3.01Å; S154-E156 PolarHBondContact O-N 3.45Å; S154-L157 PolarHBondContact O-N 3.11Å |
| 155 | D | 85.6 | Confident | 77 | Confident | 1 Ų | 1 | 78.3 Ų | 78.3 | 1% | 0.005 | 45% | 0.448 | C | S | . | . | G | 310 helix | trans | -66.9 | -21.3 | 172.8 | 56.7 | -51 | 0 | 0 | 0 | 114 | I138 C144 H147 D149 C150 S153 | I138-D155 HydrophobicContact CD1-CB 3.44Å; I138-D155 VanDerWaalsContact CD1-CB 3.44Å; C144-D155 PolarHBondContact N-O 2.99Å; H147-D155 VanDerWaalsContact O-OD2 3.05Å; D149-D155 WeakPolarHBondContact CA-OD2 3.23Å; D149-D155 WeakPolarHBondContact CB-OD2 3.04Å; D149-D155 PolarHBondContact N-OD2 3.15Å; C150-D155 HydrophobicContact CB-CB 4.45Å; C150-D155 WeakPolarHBondContact CB-OD1 3.43Å; C150-D155 PolarHBondContact N-OD1 3.07Å; C150-D155 PolarHBondContact N-OD2 3.19Å; S153-D155 VanDerWaalsContact CA-OD1 3.28Å; S153-D155 WeakPolarHBondContact CA-OD1 2.95Å; S153-D155 PolarHBondContact O-N 3.09Å |
| 156 | E | 91.1 | Very high | 75.4 | Confident | 50 Ų | 50 | 81.8 Ų | 81.8 | 23% | 0.234 | 47% | 0.466 | C | S | . | . | G | 310 helix | trans | -108.4 | 4.1 | -179.8 | -66 | -62 | 134.9 | 0 | 0 | 113.1 | C144 D145 G146 H147 S153 S154 C159 | C144-E156 VanDerWaalsContact CA-OE1 3.23Å; C144-E156 WeakPolarHBondContact CA-OE1 3.35Å; C144-E156 PolarHBondContact N-OE1 3.37Å; D145-E156 PolarHBondContact N-OE1 3.02Å; G146-E156 VanDerWaalsContact CA-OE2 3.28Å; G146-E156 WeakPolarHBondContact CA-OE2 3.02Å; G146-E156 PolarHBondContact N-OE1 2.87Å; G146-E156 PolarHBondContact N-OE2 3.05Å; G146-E156 VanDerWaalsContact N-OE2 3.08Å; H147-E156 WeakPolarHBondContact O-CG 3.45Å; S153-E156 PolarHBondContact O-N 2.57Å; S154-E156 PolarHBondContact O-N 3.45Å; E156-C159 VanDerWaalsContact C-SG 3.55Å; E156-C159 PolarHBondContact O-SG 2.96Å; E156-C159 VanDerWaalsContact O-SG 3.4Å |
| 157 | L | 82.5 | Confident | 73.9 | Confident | 98 Ų | 98 | 87.9 Ų | 87.9 | 51% | 0.513 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 144.8 | 176.8 | -61 | 179.7 | 0 | 0 | 0 | 111.3 | S154 C159 | S154-L157 PolarHBondContact O-N 3.11Å; L157-C159 VanDerWaalsContact C-N 3.29Å; L157-C159 PolarHBondContact O-N 3.06Å |
| 158 | S | 72.3 | Confident | 72.6 | Confident | 93 Ų | 93 | 88.6 Ų | 88.6 | 65% | 0.65 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 39.6 | 179.2 | -164.8 | 0 | 0 | 0 | 0 | 113.5 | D160 | S158-D160 PolarHBondContact O-N 2.98Š|
| 159 | C | 77.5 | Confident | 70.6 | Confident | 37 Ų | 37 | 93.4 Ų | 93.4 | 25% | 0.25 | 50% | 0.495 | C | S | . | . | trans | -83 | 91.2 | 167.2 | -55.1 | 0 | 0 | 0 | 0 | 107.9 | C144 E156 L157 T161 | C144-C159 WeakPolarHBondContact CA-SG 3.24Å; C144-C159 HydrophobicContact CB-CB 3.66Å; C144-C159 WeakPolarHBondContact CB-SG 3.47Å; C144-C159 WeakPolarHBondContact SG-CA 3.27Å; C144-C159 WeakPolarHBondContact SG-CB 3.45Å; C144-C159 CovalentContact SG-SG 2.02Å; C144-C159 PolarHBondContact SG-SG 3.28Å; E156-C159 VanDerWaalsContact C-SG 3.55Å; E156-C159 PolarHBondContact O-SG 2.96Å; E156-C159 VanDerWaalsContact O-SG 3.4Å; L157-C159 VanDerWaalsContact C-N 3.29Å; L157-C159 PolarHBondContact O-N 3.06Å; C159-T161 VanDerWaalsContact C-N 3.34Å; C159-T161 PolarHBondContact O-N 2.8Å | ||
| 160 | D | 73.3 | Confident | 68.7 | Low | 147 Ų | 147 | 100.2 Ų | 100.2 | 79% | 0.786 | 53% | 0.526 | S | S | * | . | trans | -62.2 | 102.3 | 170 | -68.7 | -40.4 | 0 | 0 | 0 | 107.5 | S158 D162 | S158-D160 PolarHBondContact O-N 2.98Å; D160-D162 PolarHBondContact O-N 3.04Å | ||
| 161 | T | 63.7 | Low | 67.2 | Low | 116 Ų | 116 | 108.7 Ų | 108.7 | 71% | 0.712 | 57% | 0.565 | S | S | * | * | trans | -74.1 | 73 | 176.2 | 58.3 | 0 | 0 | 0 | 0 | 108.7 | C159 T163 | C159-T161 VanDerWaalsContact C-N 3.34Å; C159-T161 PolarHBondContact O-N 2.8Å; T161-T163 PolarHBondContact O-N 2.95Å | ||
| 162 | D | 51.8 | Low | 65.3 | Low | 110 Ų | 110 | 110 Ų | 110 | 59% | 0.588 | 57% | 0.567 | S | S | * | * | trans | -79.2 | 36.5 | 168.8 | -120.3 | -5.1 | 0 | 0 | 0 | 111.1 | D160 E164 I165 | D160-D162 PolarHBondContact O-N 3.04Å; D162-E164 PolarHBondContact O-N 3.44Å; D162-I165 PolarHBondContact O-N 3.04Å | ||
| 163 | T | 58.6 | Low | 63.7 | Low | 122 Ų | 122 | 116.8 Ų | 116.8 | 75% | 0.748 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 23.3 | 175.8 | 34.5 | 0 | 0 | 0 | 0 | 114.1 | T161 | T161-T163 PolarHBondContact O-N 2.95Š|
| 164 | E | 54.2 | Low | 61.8 | Low | 169 Ų | 169 | 117.8 Ų | 117.8 | 79% | 0.79 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.6 | 9.6 | 167.2 | -128.4 | 173.4 | -167.7 | 0 | 0 | 115.7 | D162 | D162-E164 PolarHBondContact O-N 3.44Š|
| 165 | I | 56 | Low | 59.8 | Low | 97 Ų | 97 | 123.6 Ų | 123.6 | 50% | 0.497 | 65% | 0.65 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.8 | -12.9 | 172.7 | -59.4 | -163.1 | 0 | 0 | 0 | 113.8 | D162 K167 | D162-I165 PolarHBondContact O-N 3.04Å; I165-K167 PolarHBondContact O-N 2.86Å |
| 166 | D | 51.9 | Low | 57.6 | Low | 153 Ų | 153 | 129.4 Ų | 129.4 | 82% | 0.818 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | 4.2 | 176.9 | -84.2 | -13.6 | 0 | 0 | 0 | 115.5 | ||
| 167 | K | 47.8 | Very low | 55 | Low | 193 Ų | 193 | 132.4 Ų | 132.4 | 84% | 0.839 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | 1.4 | 172 | -72 | -175.3 | -176.9 | 171.4 | 0 | 114.9 | I165 | I165-K167 PolarHBondContact O-N 2.86Š|
| 168 | I | 57.4 | Low | 53.3 | Low | 120 Ų | 120 | 139.4 Ų | 139.4 | 62% | 0.615 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -104.6 | -8.3 | -176.3 | -63.3 | 177.7 | 0 | 0 | 0 | 113.4 | ||
| 169 | F | 45 | Very low | 51.8 | Low | 171 Ų | 171 | 141.6 Ų | 141.6 | 75% | 0.75 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -110.4 | 38.5 | -177 | -74.1 | -75.7 | 0 | 0 | 0 | 116.2 | ||
| 170 | Q | 49.7 | Very low | 50 | Low | 181 Ų | 181 | 145.2 Ų | 145.2 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -133.9 | 118.1 | 149.9 | -67.8 | -155.2 | 13.2 | 0 | 0 | 109.5 | ||
| 171 | E | 56.8 | Low | 47.8 | Very low | 183 Ų | 183 | 143.8 Ų | 143.8 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 80.1 | 93.5 | -168.4 | -52.3 | 179.3 | 178.2 | 0 | 0 | 111.2 | ||
| 172 | E | 45.9 | Very low | 46.2 | Very low | 178 Ų | 178 | 144.3 Ų | 144.3 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | -151.2 | 109.5 | 53.5 | -64.1 | -173.7 | 157.6 | 0 | 0 | 111.2 | A174 | E172-A174 PolarHBondContact O-N 2.73Š| |||
| 173 | N | 47.3 | Very low | 45.6 | Very low | 177 Ų | 177 | 147.5 Ų | 147.5 | 95% | 0.947 | 77% | 0.769 | S | S | * | * | trans | -74.7 | 80.5 | 158.1 | -166.3 | 14.7 | 0 | 0 | 0 | 108.1 | ||||
| 174 | A | 44.7 | Very low | 44.3 | Very low | 69 Ų | 69 | 151.3 Ų | 151.3 | 57% | 0.57 | 78% | 0.779 | S | S | * | * | trans | -153.1 | 93.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | E172 | E172-A174 PolarHBondContact O-N 2.73Š| ||
| 175 | T | 43.8 | Very low | 43.2 | Very low | 131 Ų | 131 | 149.8 Ų | 149.8 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 55 | 107.6 | 147 | -38.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 176 | T | 39.3 | Very low | 42.2 | Very low | 122 Ų | 122 | 151.4 Ų | 151.4 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | 173.7 | 112.9 | 120.4 | -76.1 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 177 | T | 34.7 | Very low | 41.4 | Very low | 114 Ų | 114 | 149.6 Ų | 149.6 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | 45.2 | 106.6 | 138 | -48.6 | 0 | 0 | 0 | 0 | 118.4 | I179 | T177-I179 PolarHBondContact O-N 3.26Š| ||
| 178 | R | 48 | Very low | 40.6 | Very low | 245 Ų | 245 | 144.8 Ų | 144.8 | 93% | 0.925 | 77% | 0.767 | S | S | * | * | trans | -34.7 | 122.6 | 153.5 | -73 | 176.8 | 165.9 | 120.1 | -2 | 111.5 | ||||
| 179 | I | 40.5 | Very low | 39.4 | Very low | 139 Ų | 139 | 147.2 Ų | 147.2 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | -126.8 | 94.7 | 153.7 | -57.5 | -179.5 | 0 | 0 | 0 | 107.6 | T177 T181 | T177-I179 PolarHBondContact O-N 3.26Å; I179-T181 HydrophobicContact CG2-CG2 4.22Å; I179-T181 WeakPolarHBondContact CG2-OG1 3.48Å | ||
| 180 | S | 38.9 | Very low | 39.2 | Very low | 113 Ų | 113 | 148.7 Ų | 148.7 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -80.9 | 108.7 | 152.7 | 165.7 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 181 | T | 28.4 | Very low | 38.5 | Very low | 116 Ų | 116 | 147.9 Ų | 147.9 | 71% | 0.712 | 78% | 0.775 | S | S | * | * | trans | -145.5 | 122.9 | 158.8 | 46.1 | 0 | 0 | 0 | 0 | 110.5 | I179 | I179-T181 HydrophobicContact CG2-CG2 4.22Å; I179-T181 WeakPolarHBondContact CG2-OG1 3.48Å | ||
| 182 | T | 28.5 | Very low | 37.6 | Very low | 128 Ų | 128 | 145 Ų | 145 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -53.4 | 146.7 | 167.8 | 44.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 183 | M | 39.4 | Very low | 36.9 | Very low | 177 Ų | 177 | 142.5 Ų | 142.5 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | trans | 18.7 | 120.2 | 148.5 | -58.1 | -66.6 | -129.3 | 0 | 0 | 118.5 | ||||
| 184 | E | 32.6 | Very low | 36.3 | Very low | 202 Ų | 202 | 143.1 Ų | 143.1 | 94% | 0.944 | 76% | 0.761 | S | S | * | * | trans | -150.6 | 144.5 | 130 | -69.2 | -156.5 | 148.9 | 0 | 0 | 111.1 | ||||
| 185 | N | 31.5 | Very low | 35.6 | Very low | 136 Ų | 136 | 145.1 Ų | 145.1 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -77.4 | 167.1 | 178.5 | -176.6 | 30 | 0 | 0 | 0 | 111.8 | ||||
| 186 | E | 34.2 | Very low | 35.2 | Very low | 132 Ų | 132 | 144.3 Ų | 144.3 | 62% | 0.617 | 77% | 0.766 | S | S | * | * | trans | 92.6 | 103 | 162.7 | -66.2 | -63.7 | 138.4 | 0 | 0 | 119.9 | ||||
| 187 | T | 34.4 | Very low | 34.9 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | 58.2 | 129.3 | 126 | 53.7 | 0 | 0 | 0 | 0 | 122 | |||||
| 188 | S | 32.6 | Very low | 35.2 | Very low | 92 Ų | 92 | 140.8 Ų | 140.8 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | trans | 85.7 | 104.3 | 152.2 | -153.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 189 | F | 30.4 | Very low | 34.4 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 75% | 0.746 | 76% | 0.764 | S | S | * | * | 173.8 | 137.7 | 96.3 | -109.6 | -75.5 | 0 | 0 | 0 | 112.8 | |||||
| 190 | R | 41.4 | Very low | 34.4 | Very low | 203 Ų | 203 | 135.5 Ų | 135.5 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | trans | 83.4 | 97 | 152 | -58.5 | 176.8 | -166.9 | -154.5 | -0.1 | 118.3 | V192 | R190-V192 HydrophobicContact CB-CG2 4.5Å; R190-V192 PolarHBondContact O-N 2.96Å; R190-V192 VanDerWaalsContact O-N 3.17Å | ||
| 191 | N | 36 | Very low | 34.2 | Very low | 164 Ų | 164 | 135.9 Ų | 135.9 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | trans | -39.1 | 114.6 | 139.9 | -76.5 | -10.4 | 0 | 0 | 0 | 110.4 | ||||
| 192 | V | 36.2 | Very low | 34.9 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 75% | 0.745 | 78% | 0.78 | S | S | * | * | trans | -118.7 | 105.2 | 161.1 | -179.1 | 0 | 0 | 0 | 0 | 107 | R190 F194 | R190-V192 HydrophobicContact CB-CG2 4.5Å; R190-V192 PolarHBondContact O-N 2.96Å; R190-V192 VanDerWaalsContact O-N 3.17Å; V192-F194 PolarHBondContact O-N 2.72Å; V192-F194 VanDerWaalsContact O-N 3.17Å | ||
| 193 | T | 32 | Very low | 35.3 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | trans | -58.4 | 108.6 | 167.8 | -42.9 | 0 | 0 | 0 | 0 | 108.4 | T195 | T193-T195 PolarHBondContact O-N 2.7Š| ||
| 194 | F | 33.9 | Very low | 35.7 | Very low | 190 Ų | 190 | 138.9 Ų | 138.9 | 83% | 0.833 | 77% | 0.771 | S | S | * | * | trans | -84.5 | 97.2 | 172.5 | -158.6 | -98 | 0 | 0 | 0 | 109.3 | V192 S196 | V192-F194 PolarHBondContact O-N 2.72Å; V192-F194 VanDerWaalsContact O-N 3.17Å; F194-S196 PolarHBondContact O-N 2.96Å | ||
| 195 | T | 31.2 | Very low | 36.4 | Very low | 111 Ų | 111 | 135 Ų | 135 | 68% | 0.681 | 77% | 0.766 | S | S | * | * | trans | -64.1 | 116.3 | 163.1 | 43.3 | 0 | 0 | 0 | 0 | 108.8 | T193 A197 | T193-T195 PolarHBondContact O-N 2.7Å; T195-A197 PolarHBondContact O-N 2.82Å | ||
| 196 | S | 35.8 | Very low | 37.1 | Very low | 114 Ų | 114 | 132 Ų | 132 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | trans | -64.7 | 100.5 | 168.7 | 174.4 | 0 | 0 | 0 | 0 | 109.2 | F194 | F194-S196 PolarHBondContact O-N 2.96Š| ||
| 197 | A | 33.1 | Very low | 37.9 | Very low | 87 Ų | 87 | 136 Ų | 136 | 72% | 0.719 | 77% | 0.771 | S | S | * | * | trans | -94.5 | 121.8 | 158.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | T195 | T195-A197 PolarHBondContact O-N 2.82Š| ||
| 198 | G | 41.3 | Very low | 38.6 | Very low | 75 Ų | 75 | 133.9 Ų | 133.9 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | -61.8 | 135.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 199 | D | 29.6 | Very low | 39.6 | Very low | 155 Ų | 155 | 135.1 Ų | 135.1 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | trans | -117 | 121.6 | 158.3 | -161.9 | 4.3 | 0 | 0 | 0 | 108.9 | S201 | D199-S201 PolarHBondContact O-N 3.31Š| ||
| 200 | S | 40.9 | Very low | 40.5 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | -89 | 92 | -179.6 | -71.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 201 | S | 35.9 | Very low | 40.8 | Very low | 120 Ų | 120 | 127.9 Ų | 127.9 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | trans | -98.3 | 117.3 | 161.4 | -163.5 | 0 | 0 | 0 | 0 | 110.3 | D199 | D199-S201 PolarHBondContact O-N 3.31Š| ||
| 202 | R | 42.6 | Very low | 41.3 | Very low | 233 Ų | 233 | 123.3 Ų | 123.3 | 88% | 0.879 | 75% | 0.753 | S | S | * | * | trans | -85.2 | 116.7 | -161.9 | -173.5 | -178.7 | -162.8 | 162.8 | 2.7 | 109.5 | ||||
| 203 | N | 36.6 | Very low | 41.9 | Very low | 146 Ų | 146 | 120.8 Ų | 120.8 | 78% | 0.781 | 75% | 0.745 | S | S | * | * | trans | -129.8 | 117.2 | 166 | -132.5 | -10.6 | 0 | 0 | 0 | 110.6 | S205 | N203-S205 PolarHBondContact O-N 3.08Š| ||
| 204 | P | 47.1 | Very low | 42.7 | Very low | 106 Ų | 106 | 117.4 Ų | 117.4 | 69% | 0.688 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 85.4 | -169.1 | 34.4 | -31.4 | 0 | 0 | 0 | 111.2 | ||
| 205 | S | 48.1 | Very low | 43.6 | Very low | 121 Ų | 121 | 112.3 Ų | 112.3 | 85% | 0.846 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -166.4 | 4.9 | 161 | -90.6 | 0 | 0 | 0 | 0 | 116.9 | N203 | N203-S205 PolarHBondContact O-N 3.08Š|
| 206 | A | 46.6 | Very low | 44.6 | Very low | 71 Ų | 71 | 112.6 Ų | 112.6 | 59% | 0.587 | 72% | 0.716 | S | S | * | * | trans | -106.6 | 21.5 | -173 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 207 | Y | 49.5 | Very low | 45.8 | Very low | 218 Ų | 218 | 110.8 Ų | 110.8 | 86% | 0.855 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -89.7 | 5.8 | 179.6 | -67.5 | -77.5 | 0 | 0 | 0 | 114.7 | ||
| 208 | G | 49.8 | Very low | 47.1 | Very low | 69 Ų | 69 | 109.2 Ų | 109.2 | 71% | 0.711 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -92.5 | -18.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 209 | V | 53.5 | Low | 48.4 | Very low | 119 Ų | 119 | 110.6 Ų | 110.6 | 72% | 0.721 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -126.2 | -19.9 | -165.6 | -162 | 0 | 0 | 0 | 0 | 114.2 | A211 A212 | V209-A211 VanDerWaalsContact C-N 3.27Å; V209-A211 PolarHBondContact O-N 3.33Å; V209-A212 PolarHBondContact O-N 2.91Å |
| 210 | I | 50.4 | Low | 50.6 | Low | 143 Ų | 143 | 108.3 Ų | 108.3 | 73% | 0.733 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -80 | -9 | -179.2 | -54.7 | 176.6 | 0 | 0 | 0 | 112.4 | ||
| 211 | A | 46.1 | Very low | 52.5 | Low | 78 Ų | 78 | 107.3 Ų | 107.3 | 65% | 0.645 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -81.4 | -12.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | V209 V215 | V209-A211 VanDerWaalsContact C-N 3.27Å; V209-A211 PolarHBondContact O-N 3.33Å; A211-V215 WeakPolarHBondContact O-CG2 3.34Å |
| 212 | A | 48.1 | Very low | 54.7 | Low | 67 Ų | 67 | 104.8 Ų | 104.8 | 55% | 0.554 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -91.4 | -32.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | V209 V215 L216 | V209-A212 PolarHBondContact O-N 2.91Å; A212-V215 PolarHBondContact O-N 3.01Å; A212-L216 PolarHBondContact O-N 3.43Å |
| 213 | A | 48.6 | Very low | 56.5 | Low | 70 Ų | 70 | 95.7 Ų | 95.7 | 58% | 0.579 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -75.1 | -28.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S217 | A213-S217 PolarHBondContact O-OG 3.36Å |
| 214 | G | 47.6 | Very low | 58.8 | Low | 53 Ų | 53 | 92.4 Ų | 92.4 | 55% | 0.546 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -74.3 | -28.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 215 | V | 53.8 | Low | 60.6 | Low | 84 Ų | 84 | 92.2 Ų | 92.2 | 51% | 0.509 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -84.8 | -33.7 | -176.5 | -179.5 | 0 | 0 | 0 | 0 | 111.4 | A211 A212 S217 A218 I219 | A211-V215 WeakPolarHBondContact O-CG2 3.34Å; A212-V215 PolarHBondContact O-N 3.01Å; V215-S217 PolarHBondContact O-N 3.24Å; V215-A218 PolarHBondContact O-N 2.84Å; V215-I219 HydrophobicContact CG1-CD1 3.79Å; V215-I219 HydrophobicContact CG1-CG1 4.44Å; V215-I219 WeakPolarHBondContact O-CD1 3.15Å; V215-I219 VanDerWaalsContact O-CG1 3.26Å; V215-I219 WeakPolarHBondContact O-CG1 3.01Å; V215-I219 PolarHBondContact O-N 3.05Å |
| 216 | L | 52.8 | Low | 62.3 | Low | 117 Ų | 117 | 91.5 Ų | 91.5 | 61% | 0.613 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.1 | -39.2 | 177.6 | -149.8 | 75.8 | 0 | 0 | 0 | 112.1 | A212 I219 L220 | A212-L216 PolarHBondContact O-N 3.43Å; L216-I219 PolarHBondContact O-N 2.62Å; L216-L220 WeakPolarHBondContact O-CG 3.31Å; L216-L220 PolarHBondContact O-N 2.71Å; L216-L220 VanDerWaalsContact O-N 3.16Å |
| 217 | S | 59.3 | Low | 64.1 | Low | 75 Ų | 75 | 92.9 Ų | 92.9 | 52% | 0.524 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66 | -39.7 | 178.4 | -58.2 | 0 | 0 | 0 | 0 | 112.7 | A213 V215 V221 | A213-S217 PolarHBondContact O-OG 3.36Å; V215-S217 PolarHBondContact O-N 3.24Å; S217-V221 VanDerWaalsContact O-CG2 3.28Å; S217-V221 WeakPolarHBondContact O-CG2 3.02Å; S217-V221 PolarHBondContact O-N 3.18Å; S217-V221 VanDerWaalsContact O-N 3.16Å |
| 218 | A | 60.4 | Low | 65.5 | Low | 54 Ų | 54 | 86.7 Ų | 86.7 | 45% | 0.446 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -71.2 | -34.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | V215 S222 | V215-A218 PolarHBondContact O-N 2.84Å; A218-S222 VanDerWaalsContact O-CB 3.3Å; A218-S222 WeakPolarHBondContact O-CB 3.46Å; A218-S222 PolarHBondContact O-N 3.41Å; A218-S222 PolarHBondContact O-OG 2.02Å |
| 219 | I | 69.2 | Low | 66.9 | Low | 104 Ų | 104 | 88 Ų | 88 | 53% | 0.533 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.3 | -42.6 | 177.4 | -67.3 | 167.7 | 0 | 0 | 0 | 110.5 | V215 L216 S222 A223 | V215-I219 HydrophobicContact CG1-CD1 3.79Å; V215-I219 HydrophobicContact CG1-CG1 4.44Å; V215-I219 WeakPolarHBondContact O-CD1 3.15Å; V215-I219 VanDerWaalsContact O-CG1 3.26Å; V215-I219 WeakPolarHBondContact O-CG1 3.01Å; V215-I219 PolarHBondContact O-N 3.05Å; L216-I219 PolarHBondContact O-N 2.62Å; I219-S222 PolarHBondContact O-N 3.29Å; I219-A223 VanDerWaalsContact O-CB 3.31Å; I219-A223 WeakPolarHBondContact O-CB 3.47Å; I219-A223 PolarHBondContact O-N 3.3Å |
| 220 | L | 75.9 | Confident | 68.2 | Low | 108 Ų | 108 | 91.2 Ų | 91.2 | 57% | 0.565 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.7 | -42 | 178.1 | -69.4 | 171.5 | 0 | 0 | 0 | 112.1 | L216 A223 T224 | L216-L220 WeakPolarHBondContact O-CG 3.31Å; L216-L220 PolarHBondContact O-N 2.71Å; L216-L220 VanDerWaalsContact O-N 3.16Å; L220-A223 PolarHBondContact O-N 3.34Å; L220-T224 WeakPolarHBondContact O-CB 3.27Å; L220-T224 VanDerWaalsContact O-CG2 3.27Å; L220-T224 WeakPolarHBondContact O-CG2 2.97Å; L220-T224 PolarHBondContact O-N 2.77Å; L220-T224 PolarHBondContact O-OG1 2.03Å |
| 221 | V | 80.3 | Confident | 69.3 | Low | 97 Ų | 97 | 87.1 Ų | 87.1 | 59% | 0.588 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.6 | -39.1 | 175.3 | 175 | 0 | 0 | 0 | 0 | 111.6 | S217 T224 L225 | S217-V221 VanDerWaalsContact O-CG2 3.28Å; S217-V221 WeakPolarHBondContact O-CG2 3.02Å; S217-V221 PolarHBondContact O-N 3.18Å; S217-V221 VanDerWaalsContact O-N 3.16Å; V221-T224 VanDerWaalsContact CA-OG1 3.32Å; V221-T224 WeakPolarHBondContact CA-OG1 3.41Å; V221-T224 PolarHBondContact O-OG1 3.38Å; V221-L225 WeakPolarHBondContact O-CB 3.44Å; V221-L225 PolarHBondContact O-N 2.84Å |
| 222 | S | 81.4 | Confident | 70.6 | Confident | 67 Ų | 67 | 88.6 Ų | 88.6 | 47% | 0.469 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.5 | -41.5 | 177.5 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | A218 I219 L226 | A218-S222 VanDerWaalsContact O-CB 3.3Å; A218-S222 WeakPolarHBondContact O-CB 3.46Å; A218-S222 PolarHBondContact O-N 3.41Å; A218-S222 PolarHBondContact O-OG 2.02Å; I219-S222 PolarHBondContact O-N 3.29Å; S222-L226 WeakPolarHBondContact O-CG 3.17Å; S222-L226 PolarHBondContact O-N 3.2Å |
| 223 | A | 81.6 | Confident | 71.7 | Confident | 43 Ų | 43 | 88.8 Ų | 88.8 | 36% | 0.355 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.1 | -44.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I219 L220 L226 I227 | I219-A223 VanDerWaalsContact O-CB 3.31Å; I219-A223 WeakPolarHBondContact O-CB 3.47Å; I219-A223 PolarHBondContact O-N 3.3Å; L220-A223 PolarHBondContact O-N 3.34Å; A223-L226 PolarHBondContact O-N 2.84Å; A223-I227 WeakPolarHBondContact O-CD1 3.3Å; A223-I227 VanDerWaalsContact O-CG1 3.24Å; A223-I227 WeakPolarHBondContact O-CG1 3.46Å; A223-I227 PolarHBondContact O-N 2.88Å |
| 224 | T | 84.9 | Confident | 73 | Confident | 76 Ų | 76 | 91.9 Ų | 91.9 | 47% | 0.466 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 176.5 | 48.6 | 0 | 0 | 0 | 0 | 111.9 | L220 V221 L226 I227 L228 | L220-T224 WeakPolarHBondContact O-CB 3.27Å; L220-T224 VanDerWaalsContact O-CG2 3.27Å; L220-T224 WeakPolarHBondContact O-CG2 2.97Å; L220-T224 PolarHBondContact O-N 2.77Å; L220-T224 PolarHBondContact O-OG1 2.03Å; V221-T224 VanDerWaalsContact CA-OG1 3.32Å; V221-T224 WeakPolarHBondContact CA-OG1 3.41Å; V221-T224 PolarHBondContact O-OG1 3.38Å; T224-L226 PolarHBondContact O-N 3.11Å; T224-I227 PolarHBondContact O-N 3.15Å; T224-L228 VanDerWaalsContact O-CG 3.32Å; T224-L228 WeakPolarHBondContact O-CG 3.47Å; T224-L228 PolarHBondContact O-N 2.02Å |
| 225 | L | 84 | Confident | 74.1 | Confident | 102 Ų | 102 | 92.4 Ų | 92.4 | 53% | 0.534 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 175.8 | -173.5 | 65.6 | 0 | 0 | 0 | 112.6 | V221 L228 L229 | V221-L225 WeakPolarHBondContact O-CB 3.44Å; V221-L225 PolarHBondContact O-N 2.84Å; L225-L228 PolarHBondContact O-N 3.17Å; L225-L229 HydrophobicContact CG-CD1 4.36Å; L225-L229 WeakPolarHBondContact O-CG 3.3Å; L225-L229 PolarHBondContact O-N 2.84Å |
| 226 | L | 84.2 | Confident | 74.8 | Confident | 107 Ų | 107 | 97.1 Ų | 97.1 | 56% | 0.56 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.1 | -40.1 | 176.9 | -74.2 | 172.3 | 0 | 0 | 0 | 112.1 | S222 A223 T224 L229 R230 | S222-L226 WeakPolarHBondContact O-CG 3.17Å; S222-L226 PolarHBondContact O-N 3.2Å; A223-L226 PolarHBondContact O-N 2.84Å; T224-L226 PolarHBondContact O-N 3.11Å; L226-L229 PolarHBondContact O-N 3.01Å; L226-R230 VanDerWaalsContact O-CG 3.29Å; L226-R230 WeakPolarHBondContact O-CG 3.13Å; L226-R230 PolarHBondContact O-N 2.81Å |
| 227 | I | 83.9 | Confident | 75.3 | Confident | 99 Ų | 99 | 94.7 Ų | 94.7 | 51% | 0.508 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 175.4 | -68.3 | 163.7 | 0 | 0 | 0 | 110.2 | A223 T224 L229 R230 L231 | A223-I227 WeakPolarHBondContact O-CD1 3.3Å; A223-I227 VanDerWaalsContact O-CG1 3.24Å; A223-I227 WeakPolarHBondContact O-CG1 3.46Å; A223-I227 PolarHBondContact O-N 2.88Å; T224-I227 PolarHBondContact O-N 3.15Å; I227-L229 PolarHBondContact O-N 3.38Å; I227-R230 PolarHBondContact O-N 3.14Å; I227-L231 HydrophobicContact CG2-CD1 3.88Å; I227-L231 HydrophobicContact CG2-CG 4.41Å; I227-L231 WeakPolarHBondContact O-CG 3.45Å; I227-L231 PolarHBondContact O-N 2.99Å |
| 228 | L | 79 | Confident | 75.8 | Confident | 89 Ų | 89 | 96 Ų | 96 | 47% | 0.466 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.6 | -40 | 177.1 | -70.2 | 173.4 | 0 | 0 | 0 | 112.7 | T224 L225 L231 R232 L237 | T224-L228 VanDerWaalsContact O-CG 3.32Å; T224-L228 WeakPolarHBondContact O-CG 3.47Å; T224-L228 PolarHBondContact O-N 2.02Å; L225-L228 PolarHBondContact O-N 3.17Å; L228-L231 PolarHBondContact O-N 3.18Å; L228-R232 WeakPolarHBondContact O-CB 3.43Å; L228-R232 PolarHBondContact O-N 3.37Å; L228-L237 HydrophobicContact CD2-CD2 4.41Å |
| 229 | L | 78.8 | Confident | 75.9 | Confident | 96 Ų | 96 | 98.3 Ų | 98.3 | 50% | 0.503 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.4 | -37.6 | 175.8 | -72.4 | 170.6 | 0 | 0 | 0 | 112.3 | L225 L226 I227 R232 G233 | L225-L229 HydrophobicContact CG-CD1 4.36Å; L225-L229 WeakPolarHBondContact O-CG 3.3Å; L225-L229 PolarHBondContact O-N 2.84Å; L226-L229 PolarHBondContact O-N 3.01Å; I227-L229 PolarHBondContact O-N 3.38Å; L229-R232 PolarHBondContact O-N 3.02Å; L229-G233 PolarHBondContact O-N 3.34Å |
| 230 | R | 81.4 | Confident | 75.4 | Confident | 187 Ų | 187 | 97.5 Ų | 97.5 | 71% | 0.706 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.2 | -45 | 175.5 | -72.2 | -64.1 | -142.6 | -109 | 0.9 | 111.9 | L226 I227 R232 G233 Q234 | L226-R230 VanDerWaalsContact O-CG 3.29Å; L226-R230 WeakPolarHBondContact O-CG 3.13Å; L226-R230 PolarHBondContact O-N 2.81Å; I227-R230 PolarHBondContact O-N 3.14Å; R230-R232 VanDerWaalsContact C-N 3.28Å; R230-R232 PolarHBondContact O-N 2.8Å; R230-G233 PolarHBondContact O-N 3.03Å; R230-G233 VanDerWaalsContact O-N 3.13Å; R230-Q234 WeakPolarHBondContact O-CG 3.35Å; R230-Q234 PolarHBondContact O-N 3.37Å |
| 231 | L | 74.8 | Confident | 74.3 | Confident | 56 Ų | 56 | 95.9 Ų | 95.9 | 29% | 0.293 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.5 | -35.8 | 176.1 | -71 | 169.6 | 0 | 0 | 0 | 111.9 | I227 L228 Q234 G235 Y236 L237 | I227-L231 HydrophobicContact CG2-CD1 3.88Å; I227-L231 HydrophobicContact CG2-CG 4.41Å; I227-L231 WeakPolarHBondContact O-CG 3.45Å; I227-L231 PolarHBondContact O-N 2.99Å; L228-L231 PolarHBondContact O-N 3.18Å; L231-Q234 PolarHBondContact O-N 3.06Å; L231-G235 PolarHBondContact O-N 2.73Å; L231-Y236 PolarHBondContact O-N 3.47Å; L231-L237 HydrophobicContact CB-CD1 3.64Å; L231-L237 HydrophobicContact CD1-CD1 4.12Å; L231-L237 HydrophobicContact CG-CD1 4.49Å |
| 232 | R | 73.5 | Confident | 72.6 | Confident | 109 Ų | 109 | 98.3 Ų | 98.3 | 41% | 0.411 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66 | -42.9 | 171.4 | -178.9 | 176 | -79.3 | 162.6 | 4 | 112.2 | L228 L229 R230 Q234 G235 P240 | L228-R232 WeakPolarHBondContact O-CB 3.43Å; L228-R232 PolarHBondContact O-N 3.37Å; L229-R232 PolarHBondContact O-N 3.02Å; R230-R232 VanDerWaalsContact C-N 3.28Å; R230-R232 PolarHBondContact O-N 2.8Å; R232-Q234 PolarHBondContact O-N 2.79Å; R232-G235 PolarHBondContact O-N 3.4Å; R232-G235 VanDerWaalsContact O-N 3.08Å; R232-P240 VanDerWaalsContact CZ-CD 3.43Å |
| 233 | G | 70.5 | Confident | 71.2 | Confident | 72 Ų | 72 | 103.6 Ų | 103.6 | 74% | 0.742 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.2 | -26.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L229 R230 | L229-G233 PolarHBondContact O-N 3.34Å; R230-G233 PolarHBondContact O-N 3.03Å; R230-G233 VanDerWaalsContact O-N 3.13Å |
| 234 | Q | 76.4 | Confident | 69.5 | Low | 135 Ų | 135 | 106.3 Ų | 106.3 | 63% | 0.631 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -0.2 | 175.5 | -68.4 | 174.9 | -38.6 | 0 | 0 | 113.6 | R230 L231 R232 Y236 | R230-Q234 WeakPolarHBondContact O-CG 3.35Å; R230-Q234 PolarHBondContact O-N 3.37Å; L231-Q234 PolarHBondContact O-N 3.06Å; R232-Q234 PolarHBondContact O-N 2.79Å; Q234-Y236 VanDerWaalsContact C-N 3.33Å; Q234-Y236 HydrophobicContact CB-CD2 3.67Å; Q234-Y236 HydrophobicContact CB-CE2 4.06Å; Q234-Y236 PolarHBondContact O-N 3.46Å |
| 235 | G | 70.3 | Confident | 67.8 | Low | 64 Ų | 64 | 107 Ų | 107 | 66% | 0.66 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.1 | 10.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L231 R232 | L231-G235 PolarHBondContact O-N 2.73Å; R232-G235 PolarHBondContact O-N 3.4Å; R232-G235 VanDerWaalsContact O-N 3.08Å |
| 236 | Y | 68.8 | Low | 65.8 | Low | 182 Ų | 182 | 108.7 Ų | 108.7 | 71% | 0.714 | 62% | 0.623 | S | S | * | * | trans | -79.6 | -17.4 | 179.8 | -78.5 | -84 | 0 | 0 | 0 | 113.8 | L231 Q234 | L231-Y236 PolarHBondContact O-N 3.47Å; Q234-Y236 VanDerWaalsContact C-N 3.33Å; Q234-Y236 HydrophobicContact CB-CD2 3.67Å; Q234-Y236 HydrophobicContact CB-CE2 4.06Å; Q234-Y236 PolarHBondContact O-N 3.46Å | ||
| 237 | L | 61.6 | Low | 63.7 | Low | 67 Ų | 67 | 112.2 Ų | 112.2 | 35% | 0.351 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -116.9 | 135.5 | 173.1 | -91.4 | 96 | 0 | 0 | 0 | 111.3 | L228 L231 | L228-L237 HydrophobicContact CD2-CD2 4.41Å; L231-L237 HydrophobicContact CB-CD1 3.64Å; L231-L237 HydrophobicContact CD1-CD1 4.12Å; L231-L237 HydrophobicContact CG-CD1 4.49Å |
| 238 | P | 69.8 | Low | 61.9 | Low | 101 Ų | 101 | 115.1 Ų | 115.1 | 66% | 0.656 | 65% | 0.646 | S | S | * | * | trans | -60.8 | 150.7 | 170.2 | 26.2 | -32.2 | 0 | 0 | 0 | 110.6 | ||||
| 239 | P | 62.8 | Low | 59.9 | Low | 103 Ų | 103 | 115.5 Ų | 115.5 | 67% | 0.669 | 66% | 0.655 | S | S | * | * | trans | -56.8 | 148.3 | 173 | 24.9 | -32.3 | 0 | 0 | 0 | 109.4 | G241 | P239-G241 PolarHBondContact O-N 3.24Š| ||
| 240 | P | 59.4 | Low | 58 | Low | 88 Ų | 88 | 117.7 Ų | 117.7 | 57% | 0.571 | 67% | 0.667 | S | S | * | * | trans | -64.5 | 115.3 | 176.3 | 28.4 | -18.5 | 0 | 0 | 0 | 105.3 | R232 L242 | R232-P240 VanDerWaalsContact CZ-CD 3.43Å; P240-L242 PolarHBondContact O-N 3.39Å | ||
| 241 | G | 52.3 | Low | 56.1 | Low | 73 Ų | 73 | 115.6 Ų | 115.6 | 75% | 0.753 | 67% | 0.669 | S | S | * | * | trans | -56.5 | 100 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | P239 L243 | P239-G241 PolarHBondContact O-N 3.24Å; G241-L243 PolarHBondContact O-N 2.86Å | ||
| 242 | L | 44.9 | Very low | 54.3 | Low | 148 Ų | 148 | 121.5 Ų | 121.5 | 78% | 0.775 | 70% | 0.7 | S | S | * | * | trans | -59.9 | 113.1 | 153.1 | -167 | 79.2 | 0 | 0 | 0 | 104.2 | P240 V244 | P240-L242 PolarHBondContact O-N 3.39Å; L242-V244 HydrophobicContact CB-CG2 4.23Å; L242-V244 HydrophobicContact CD2-CG2 3.65Å; L242-V244 HydrophobicContact CG-CG2 4.05Å; L242-V244 PolarHBondContact O-N 2.96Å | ||
| 243 | L | 51.9 | Low | 52.5 | Low | 179 Ų | 179 | 122 Ų | 122 | 94% | 0.937 | 72% | 0.72 | S | S | * | * | trans | -57.5 | 85.6 | 166.2 | -83.3 | 169.6 | 0 | 0 | 0 | 107.8 | G241 A245 | G241-L243 PolarHBondContact O-N 2.86Å; L243-A245 PolarHBondContact O-N 3.17Å | ||
| 244 | V | 46.7 | Very low | 51.5 | Low | 99 Ų | 99 | 127.6 Ų | 127.6 | 60% | 0.6 | 73% | 0.727 | S | S | * | * | trans | -85.9 | 102.2 | 168.6 | 177.4 | 0 | 0 | 0 | 0 | 105.6 | L242 V246 | L242-V244 HydrophobicContact CB-CG2 4.23Å; L242-V244 HydrophobicContact CD2-CG2 3.65Å; L242-V244 HydrophobicContact CG-CG2 4.05Å; L242-V244 PolarHBondContact O-N 2.96Å; V244-V246 HydrophobicContact CG1-CG2 4.5Å; V244-V246 PolarHBondContact O-N 2.98Å | ||
| 245 | A | 48 | Very low | 49.9 | Very low | 91 Ų | 91 | 132.7 Ų | 132.7 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | trans | -49.7 | 105.7 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | L243 K247 | L243-A245 PolarHBondContact O-N 3.17Å; A245-K247 VanDerWaalsContact C-N 3.34Å; A245-K247 PolarHBondContact O-N 3.32Å | ||
| 246 | V | 43.7 | Very low | 48.5 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 83% | 0.83 | 75% | 0.75 | S | S | * | * | trans | -88.1 | 90.4 | 158.3 | -179.8 | 0 | 0 | 0 | 0 | 106.3 | V244 | V244-V246 HydrophobicContact CG1-CG2 4.5Å; V244-V246 PolarHBondContact O-N 2.98Å | ||
| 247 | K | 38.5 | Very low | 47.5 | Very low | 181 Ų | 181 | 135.5 Ų | 135.5 | 79% | 0.787 | 75% | 0.747 | S | S | * | * | trans | -68.2 | 121.8 | 167.4 | 173.5 | 172 | 176.6 | -177.5 | 0 | 109 | A245 | A245-K247 VanDerWaalsContact C-N 3.34Å; A245-K247 PolarHBondContact O-N 3.32Å | ||
| 248 | E | 46.1 | Very low | 46.6 | Very low | 161 Ų | 161 | 137.7 Ų | 137.7 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | 61.2 | 147.1 | 146.9 | -76.4 | -68.7 | 154 | 0 | 0 | 120.8 | ||||
| 249 | S | 38.8 | Very low | 45.3 | Very low | 96 Ų | 96 | 140.2 Ų | 140.2 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | trans | 90.6 | 119.1 | 164 | -49.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 250 | L | 37.5 | Very low | 44.5 | Very low | 143 Ų | 143 | 146.5 Ų | 146.5 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | cis | -164.1 | 139.6 | 15.8 | -88 | 139.5 | 0 | 0 | 0 | 109.3 | ||||
| 251 | L | 41.8 | Very low | 43.7 | Very low | 143 Ų | 143 | 149.5 Ų | 149.5 | 75% | 0.749 | 81% | 0.812 | S | S | * | * | 50.3 | 113.9 | 129.7 | -49.3 | -178 | 0 | 0 | 0 | 120.1 | |||||
| 252 | L | 36.8 | Very low | 43.3 | Very low | 180 Ų | 180 | 153.5 Ų | 153.5 | 94% | 0.942 | 82% | 0.816 | S | S | * | * | 178.7 | 104.8 | 112.7 | -108.1 | 137.6 | 0 | 0 | 0 | 109.8 | |||||
| 253 | S | 36.8 | Very low | 43.2 | Very low | 118 Ų | 118 | 153.8 Ų | 153.8 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | 171.4 | 66.7 | 132.3 | -175.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 254 | E | 49 | Very low | 42.7 | Very low | 191 Ų | 191 | 152.3 Ų | 152.3 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | trans | -126.5 | 101.7 | 149.5 | -82.7 | -159.9 | 127.5 | 0 | 0 | 108.4 | ||||
| 255 | R | 42 | Very low | 42.4 | Very low | 242 Ų | 242 | 155.6 Ų | 155.6 | 91% | 0.913 | 82% | 0.824 | S | S | * | * | trans | 173.5 | 104.6 | 135.9 | -99.8 | 178.9 | -163.3 | 176.1 | 6.3 | 111 | ||||
| 256 | K | 41.9 | Very low | 42 | Very low | 198 Ų | 198 | 159.9 Ų | 159.9 | 86% | 0.861 | 83% | 0.829 | S | S | * | * | trans | -143.1 | 84.8 | 136.4 | -139 | 172 | -179.7 | -175.7 | 0 | 105.3 | ||||
| 257 | T | 47.8 | Very low | 41.9 | Very low | 107 Ų | 107 | 161.6 Ų | 161.6 | 66% | 0.656 | 83% | 0.829 | S | S | * | * | 50 | 94.3 | 111.2 | 56.9 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 258 | S | 42.6 | Very low | 42.2 | Very low | 113 Ų | 113 | 160.1 Ų | 160.1 | 79% | 0.79 | 83% | 0.832 | S | S | * | * | 33.6 | 96.8 | 87.3 | -163.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 259 | L | 43.1 | Very low | 41.9 | Very low | 154 Ų | 154 | 160 Ų | 160 | 81% | 0.806 | 84% | 0.838 | S | S | * | * | trans | 179.6 | 126.2 | 140 | -107.2 | 147.4 | 0 | 0 | 0 | 111.4 | ||||
| 260 | I | 44.6 | Very low | 42.2 | Very low | 235 Ų | 235 | 165.8 Ų | 165.8 | 100% | 1.205 | 85% | 0.854 | S | S | * | * | trans | 89.8 | 0 | 164.4 | -50.6 | 163.2 | 0 | 0 | 0 | 115.7 |
Retrieved 260 of 260 residues in 51.9 ms
(Link to these results)