| 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 | 30.2 | Very low | 32.1 | Very low | 218 Ų | 218 | 167.3 Ų | 167.3 | 100% | 1.074 | 81% | 0.805 | S | S | * | * | 0 | 128 | 0 | -64.5 | -170.5 | -85.8 | 0 | 0 | 106.8 | |||||
| 2 | R | 26.6 | Very low | 33.2 | Very low | 233 Ų | 233 | 160.6 Ų | 160.6 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | 67 | 86.4 | 58.9 | -164.1 | 179.3 | -170.6 | -173.1 | 4 | 113.4 | |||||
| 3 | N | 23.7 | Very low | 33.6 | Very low | 123 Ų | 123 | 162.8 Ų | 162.8 | 66% | 0.658 | 78% | 0.779 | S | S | * | * | trans | 57 | 129.6 | 146.5 | -92.1 | -50.6 | 0 | 0 | 0 | 121.7 | ||||
| 4 | R | 26.6 | Very low | 34.2 | Very low | 223 Ų | 223 | 162.1 Ų | 162.1 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | trans | 66.3 | 100 | 137.4 | -63.2 | 166.4 | -169.4 | -164.4 | -3.7 | 118.1 | ||||
| 5 | G | 31 | Very low | 34.1 | Very low | 78 Ų | 78 | 158.8 Ų | 158.8 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -79.8 | -173.8 | 155.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 6 | L | 33.1 | Very low | 34.4 | Very low | 134 Ų | 134 | 160.2 Ų | 160.2 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | trans | -150.5 | 88.5 | 174.5 | -150.2 | 156.2 | 0 | 0 | 0 | 111.9 | R8 F9 | L6-R8 WeakPolarHBondContact CD2-O 3.11Å; L6-F9 HydrophobicContact CD2-CD2 4.26Å | ||
| 7 | L | 33.8 | Very low | 35 | Very low | 176 Ų | 176 | 159.9 Ų | 159.9 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | -123.9 | 27.6 | 150.3 | -143.4 | 80.6 | 0 | 0 | 0 | 112.2 | F9 | L7-F9 PolarHBondContact O-N 3.22Š| ||
| 8 | R | 32.5 | Very low | 34.8 | Very low | 187 Ų | 187 | 160.9 Ų | 160.9 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | -64 | 116.7 | 151.2 | -71.6 | 176.9 | 170.4 | -169.5 | -5.2 | 107.1 | L6 F11 | L6-R8 WeakPolarHBondContact CD2-O 3.11Å; R8-F11 HydrophobicContact CB-CB 4.49Å; R8-F11 HydrophobicContact CG-CB 4.49Å | ||
| 9 | F | 36 | Very low | 34.8 | Very low | 161 Ų | 161 | 160.4 Ų | 160.4 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -166.1 | -5.6 | 139.1 | -110.6 | -66.4 | 0 | 0 | 0 | 116.4 | L6 L7 I12 | L6-F9 HydrophobicContact CD2-CD2 4.26Å; L7-F9 PolarHBondContact O-N 3.22Å; F9-I12 HydrophobicContact CD1-CD1 3.9Å; F9-I12 HydrophobicContact CE1-CD1 3.6Å; F9-I12 HydrophobicContact CZ-CD1 4.28Å |
| 10 | V | 41 | Very low | 34.7 | Very low | 131 Ų | 131 | 163.4 Ų | 163.4 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -86.4 | -17.9 | 156.1 | -174.4 | 0 | 0 | 0 | 0 | 111.1 | I12 F13 | V10-I12 PolarHBondContact O-N 2.89Å; V10-F13 PolarHBondContact O-N 2.83Å |
| 11 | F | 38.3 | Very low | 34.5 | Very low | 176 Ų | 176 | 165.8 Ų | 165.8 | 77% | 0.772 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 24 | 178.4 | -128.1 | -85.4 | 0 | 0 | 0 | 115.5 | R8 | R8-F11 HydrophobicContact CB-CB 4.49Å; R8-F11 HydrophobicContact CG-CB 4.49Å |
| 12 | I | 45.2 | Very low | 34.6 | Very low | 87 Ų | 87 | 159.6 Ų | 159.6 | 45% | 0.446 | 77% | 0.765 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -129.7 | -17.1 | -177.5 | -65.1 | 179.1 | 0 | 0 | 0 | 111.5 | F9 V10 L14 L15 | F9-I12 HydrophobicContact CD1-CD1 3.9Å; F9-I12 HydrophobicContact CE1-CD1 3.6Å; F9-I12 HydrophobicContact CZ-CD1 4.28Å; V10-I12 PolarHBondContact O-N 2.89Å; I12-L14 VanDerWaalsContact C-N 3.28Å; I12-L14 PolarHBondContact O-N 3.03Å; I12-L15 HydrophobicContact CG1-CD1 4.42Å; I12-L15 HydrophobicContact CG2-CD1 4.5Å; I12-L15 WeakPolarHBondContact O-CB 2.79Å; I12-L15 PolarHBondContact O-N 3.49Å; I12-L15 VanDerWaalsContact O-N 3.12Å |
| 13 | F | 39.1 | Very low | 35.1 | Very low | 189 Ų | 189 | 154.5 Ų | 154.5 | 83% | 0.829 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 0.5 | -173.6 | -121.2 | -82.9 | 0 | 0 | 0 | 116.2 | V10 | V10-F13 PolarHBondContact O-N 2.83Š|
| 14 | L | 41.4 | Very low | 35.4 | Very low | 154 Ų | 154 | 154.9 Ų | 154.9 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.7 | 9.5 | 167.9 | -67.1 | 176.2 | 0 | 0 | 0 | 112.7 | I12 H16 | I12-L14 VanDerWaalsContact C-N 3.28Å; I12-L14 PolarHBondContact O-N 3.03Å; L14-H16 PolarHBondContact O-N 2.73Å |
| 15 | L | 33.6 | Very low | 36.2 | Very low | 112 Ų | 112 | 151.3 Ų | 151.3 | 59% | 0.586 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 41.3 | -173 | -140.8 | 173.9 | 0 | 0 | 0 | 112.4 | I12 | I12-L15 HydrophobicContact CG1-CD1 4.42Å; I12-L15 HydrophobicContact CG2-CD1 4.5Å; I12-L15 WeakPolarHBondContact O-CB 2.79Å; I12-L15 PolarHBondContact O-N 3.49Å; I12-L15 VanDerWaalsContact O-N 3.12Å |
| 16 | H | 37.8 | Very low | 37 | Very low | 181 Ų | 181 | 154.7 Ų | 154.7 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139 | 0 | -178.3 | -136.3 | -57.3 | 0 | 0 | 0 | 115.2 | L14 | L14-H16 PolarHBondContact O-N 2.73Š|
| 17 | I | 45.4 | Very low | 38.1 | Very low | 156 Ų | 156 | 155.1 Ų | 155.1 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -98.2 | -10.3 | 169.1 | -63.9 | 176.9 | 0 | 0 | 0 | 111.1 | ||
| 18 | F | 31.2 | Very low | 39.6 | Very low | 177 Ų | 177 | 149.5 Ų | 149.5 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | trans | -96.1 | 94.8 | 170.7 | -94.1 | -91.7 | 0 | 0 | 0 | 111.6 | ||||
| 19 | I | 34.6 | Very low | 41.3 | Very low | 151 Ų | 151 | 142.3 Ų | 142.3 | 77% | 0.774 | 71% | 0.711 | S | S | * | * | trans | -170.6 | 138 | 152.8 | -100.9 | 151 | 0 | 0 | 0 | 108 | ||||
| 20 | Y | 32.3 | Very low | 43.4 | Very low | 220 Ų | 220 | 135.5 Ų | 135.5 | 86% | 0.863 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 60.6 | 78.1 | -178.4 | -73.1 | -68.1 | 0 | 0 | 0 | 118.7 | ||
| 21 | K | 31.6 | Very low | 45.1 | Very low | 214 Ų | 214 | 133.7 Ų | 133.7 | 93% | 0.93 | 68% | 0.677 | S | S | * | * | -149.1 | 143.8 | 94.1 | -153.8 | 173.8 | -177.1 | -176.1 | 0 | 109.6 | |||||
| 22 | S | 31.4 | Very low | 46.9 | Very low | 89 Ų | 89 | 129.6 Ų | 129.6 | 62% | 0.622 | 67% | 0.666 | S | S | * | * | trans | -131.8 | 169.9 | -167.8 | 54.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 23 | T | 37.4 | Very low | 48.2 | Very low | 125 Ų | 125 | 132 Ų | 132 | 77% | 0.767 | 68% | 0.68 | S | S | * | * | trans | 61.8 | 91.6 | 169.9 | 61.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 24 | C | 30.3 | Very low | 50.3 | Low | 132 Ų | 132 | 124.3 Ų | 124.3 | 89% | 0.892 | 65% | 0.649 | S | S | * | * | -128.4 | 160.3 | 106.1 | -90 | 0 | 0 | 0 | 0 | 108 | |||||
| 25 | N | 43.1 | Very low | 52.3 | Low | 148 Ų | 148 | 117.5 Ų | 117.5 | 79% | 0.791 | 62% | 0.615 | S | S | * | * | trans | -71.6 | 138.1 | 176 | -76.1 | -12.7 | 0 | 0 | 0 | 109.9 | F27 | N25-F27 VanDerWaalsContact C-N 3.29Å; N25-F27 PolarHBondContact O-N 3.1Å | ||
| 26 | N | 48.8 | Very low | 54.5 | Low | 148 Ų | 148 | 117.3 Ų | 117.3 | 79% | 0.791 | 61% | 0.61 | S | S | * | * | trans | -75.3 | 90.3 | 162.6 | -161.3 | 40.9 | 0 | 0 | 0 | 107.3 | D28 | N26-D28 PolarHBondContact O-N 3.35Š| ||
| 27 | F | 55.5 | Low | 56.4 | Low | 144 Ų | 144 | 114.6 Ų | 114.6 | 63% | 0.632 | 61% | 0.612 | S | S | * | * | trans | -75 | 107.4 | 175.3 | -146.9 | -84.3 | 0 | 0 | 0 | 106.5 | N25 V29 T32 | N25-F27 VanDerWaalsContact C-N 3.29Å; N25-F27 PolarHBondContact O-N 3.1Å; F27-V29 PolarHBondContact O-N 3.5Å; F27-T32 HydrophobicContact CE1-CG2 3.97Å | ||
| 28 | D | 64.5 | Low | 58 | Low | 57 Ų | 57 | 109.3 Ų | 109.3 | 31% | 0.305 | 59% | 0.585 | S | S | . | * | trans | -65.6 | 108.1 | 171 | 167.4 | 48.8 | 0 | 0 | 0 | 107.8 | N26 C30 S31 S43 | N26-D28 PolarHBondContact O-N 3.35Å; D28-C30 PolarHBondContact O-N 3.02Å; D28-C30 PolarHBondContact OD1-N 3.38Å; D28-S31 VanDerWaalsContact O-CB 3.25Å; D28-S31 WeakPolarHBondContact O-CB 2.9Å; D28-S31 PolarHBondContact O-N 3.05Å; D28-S31 PolarHBondContact OD2-N 3.2Å; D28-S31 PolarHBondContact OD2-OG 3.16Å; D28-S43 WeakPolarHBondContact OD1-CB 3.39Å; D28-S43 PolarHBondContact OD1-OG 2.99Å | ||
| 29 | V | 68.2 | Low | 60.5 | Low | 36 Ų | 36 | 101.8 Ų | 101.8 | 22% | 0.218 | 56% | 0.557 | C | S | . | * | G | 310 helix | trans | -66.5 | -22.2 | -175.4 | -169.7 | 0 | 0 | 0 | 0 | 110.8 | F27 S31 T32 P34 F49 | F27-V29 PolarHBondContact O-N 3.5Å; V29-S31 VanDerWaalsContact C-N 3.26Å; V29-S31 PolarHBondContact O-N 3.06Å; V29-T32 PolarHBondContact O-N 2.78Å; V29-T32 PolarHBondContact O-OG1 3.23Å; V29-P34 HydrophobicContact CG1-CG 4.47Å; V29-P34 VanDerWaalsContact O-CD 3.23Å; V29-P34 WeakPolarHBondContact O-CD 3.42Å; V29-P34 WeakPolarHBondContact O-CG 3.33Å; V29-F49 HydrophobicContact CB-CB 4.3Å; V29-F49 HydrophobicContact CB-CD1 4.37Å; V29-F49 HydrophobicContact CG1-CB 4.3Å; V29-F49 HydrophobicContact CG1-CD1 3.54Å; V29-F49 HydrophobicContact CG1-CE1 4.21Å; V29-F49 HydrophobicContact CG1-CG 4.16Å |
| 30 | C | 79.9 | Confident | 63 | Low | 18 Ų | 18 | 100.5 Ų | 100.5 | 12% | 0.122 | 54% | 0.543 | C | S | . | . | G | 310 helix | trans | -69.1 | -21 | 171.8 | -64.5 | 0 | 0 | 0 | 0 | 113.9 | D28 T32 N33 C41 I42 S43 | D28-C30 PolarHBondContact O-N 3.02Å; D28-C30 PolarHBondContact OD1-N 3.38Å; C30-T32 PolarHBondContact O-N 3.38Å; C30-T32 VanDerWaalsContact O-N 3.14Å; C30-N33 PolarHBondContact O-N 3.46Å; C30-C41 WeakPolarHBondContact CA-SG 3.16Å; C30-C41 HydrophobicContact CB-CB 3.59Å; C30-C41 WeakPolarHBondContact CB-SG 3.35Å; C30-C41 WeakPolarHBondContact SG-CB 3.31Å; C30-C41 CovalentContact SG-SG 2.03Å; C30-C41 PolarHBondContact SG-SG 2.7Å; C30-I42 VanDerWaalsContact SG-C 3.58Å; C30-S43 PolarHBondContact SG-N 2.81Å |
| 31 | S | 77 | Confident | 65.7 | Low | 93 Ų | 93 | 91.6 Ų | 91.6 | 65% | 0.65 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -69.7 | -6 | 178 | -66.8 | 0 | 0 | 0 | 0 | 114 | D28 V29 | D28-S31 VanDerWaalsContact O-CB 3.25Å; D28-S31 WeakPolarHBondContact O-CB 2.9Å; D28-S31 PolarHBondContact O-N 3.05Å; D28-S31 PolarHBondContact OD2-N 3.2Å; D28-S31 PolarHBondContact OD2-OG 3.16Å; V29-S31 VanDerWaalsContact C-N 3.26Å; V29-S31 PolarHBondContact O-N 3.06Å |
| 32 | T | 76 | Confident | 68.3 | Low | 90 Ų | 90 | 84 Ų | 84 | 55% | 0.552 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -99.5 | 5.5 | 169.8 | 55.6 | 0 | 0 | 0 | 0 | 113.7 | F27 V29 C30 | F27-T32 HydrophobicContact CE1-CG2 3.97Å; V29-T32 PolarHBondContact O-N 2.78Å; V29-T32 PolarHBondContact O-OG1 3.23Å; C30-T32 PolarHBondContact O-N 3.38Å; C30-T32 VanDerWaalsContact O-N 3.14Å |
| 33 | N | 74 | Confident | 70.6 | Confident | 137 Ų | 137 | 82.5 Ų | 82.5 | 73% | 0.733 | 47% | 0.472 | S | S | * | . | trans | 44.9 | 64.7 | -167.9 | -71 | 0.8 | 0 | 0 | 0 | 112.1 | C30 C35 | C30-N33 PolarHBondContact O-N 3.46Å; N33-C35 PolarHBondContact O-N 3.43Å | ||
| 34 | P | 81.9 | Confident | 72.6 | Confident | 28 Ų | 28 | 82.6 Ų | 82.6 | 18% | 0.182 | 46% | 0.459 | C | S | . | . | trans | -74.3 | -1.3 | 179.3 | 36.7 | -38.9 | 0 | 0 | 0 | 112.6 | V29 C41 F49 D61 | V29-P34 HydrophobicContact CG1-CG 4.47Å; V29-P34 VanDerWaalsContact O-CD 3.23Å; V29-P34 WeakPolarHBondContact O-CD 3.42Å; V29-P34 WeakPolarHBondContact O-CG 3.33Å; P34-C41 VanDerWaalsContact CG-SG 3.59Å; P34-F49 HydrophobicContact CB-CD1 4.43Å; P34-F49 HydrophobicContact CB-CD2 3.95Å; P34-F49 HydrophobicContact CB-CE1 4.2Å; P34-F49 HydrophobicContact CB-CE2 3.71Å; P34-F49 HydrophobicContact CB-CG 4.31Å; P34-F49 HydrophobicContact CB-CZ 3.84Å; P34-F49 HydrophobicContact CG-CB 4.45Å; P34-F49 HydrophobicContact CG-CD1 4.42Å; P34-F49 HydrophobicContact CG-CD2 3.67Å; P34-F49 HydrophobicContact CG-CE2 3.97Å; P34-F49 HydrophobicContact CG-CG 3.93Å; P34-F49 HydrophobicContact CG-CZ 4.45Å; P34-D61 WeakPolarHBondContact O-CB 3.12Å | ||
| 35 | C | 83.5 | Confident | 74.5 | Confident | 12 Ų | 12 | 85.8 Ų | 85.8 | 8% | 0.081 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -102.2 | 138.6 | 167.2 | -42.1 | 0 | 0 | 0 | 0 | 108.6 | N33 C41 C51 D61 | N33-C35 PolarHBondContact O-N 3.43Å; C35-C41 WeakPolarHBondContact SG-CA 3.34Å; C35-C41 WeakPolarHBondContact SG-CB 3.29Å; C35-C51 WeakPolarHBondContact CA-SG 3.44Å; C35-C51 HydrophobicContact CB-CB 3.73Å; C35-C51 WeakPolarHBondContact CB-SG 3.36Å; C35-C51 VanDerWaalsContact SG-CA 3.51Å; C35-C51 WeakPolarHBondContact SG-CB 3.3Å; C35-C51 CovalentContact SG-SG 2.02Å; C35-C51 PolarHBondContact SG-SG 3.22Å; C35-D61 CarbonylContact C-O 3.5Å; C35-D61 VanDerWaalsContact CA-O 3.22Å; C35-D61 WeakPolarHBondContact CA-O 2.98Å |
| 36 | H | 80.9 | Confident | 75.8 | Confident | 107 Ų | 107 | 86.7 Ų | 86.7 | 50% | 0.495 | 47% | 0.465 | S | S | . | . | trans | -60.2 | 165.3 | 165.6 | -86.3 | -113.7 | 0 | 0 | 0 | 111.2 | N38 G39 D61 | H36-N38 PolarHBondContact O-N 2.78Å; H36-G39 PolarHBondContact O-N 3.37Å; H36-G39 VanDerWaalsContact O-N 3.08Å; H36-D61 IonicContact CD2-OD2 3.53Å; H36-D61 PolarHBondContact N-O 3.44Å | ||
| 37 | S | 77.7 | Confident | 76.8 | Confident | 124 Ų | 124 | 81.7 Ų | 81.7 | 87% | 0.867 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | -18.2 | -176.7 | -53.1 | 0 | 0 | 0 | 0 | 115.5 | ||
| 38 | N | 77.2 | Confident | 77.8 | Confident | 46 Ų | 46 | 76.4 Ų | 76.4 | 25% | 0.246 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 7.2 | -172.1 | -50.1 | -28.1 | 0 | 0 | 0 | 112.9 | H36 S54 W57 | H36-N38 PolarHBondContact O-N 2.78Å; N38-S54 WeakPolarHBondContact O-CB 3.39Å; N38-S54 PolarHBondContact O-N 2.83Å; N38-S54 PolarHBondContact O-OG 3.12Å; N38-W57 HydrophobicContact CB-CB 4.15Å; N38-W57 HydrophobicContact CB-CD2 3.5Å; N38-W57 HydrophobicContact CB-CE3 4.03Å; N38-W57 HydrophobicContact CB-CG 3.5Å; N38-W57 VanDerWaalsContact CB-CG 3.5Å; N38-W57 VanDerWaalsContact ND2-CD2 3.26Å; N38-W57 WeakPolarHBondContact ND2-CH2 3.08Å; N38-W57 WeakPolarHBondContact ND2-CZ2 3.09Å; N38-W57 WeakPolarHBondContact ND2-CZ3 3.47Å |
| 39 | G | 84.3 | Confident | 78.7 | Confident | 18 Ų | 18 | 77.5 Ų | 77.5 | 19% | 0.186 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 162.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | H36 R52 | H36-G39 PolarHBondContact O-N 3.37Å; H36-G39 VanDerWaalsContact O-N 3.08Å; G39-R52 WeakPolarHBondContact CA-O 3.41Å |
| 40 | Y | 88 | Confident | 79.6 | Confident | 124 Ų | 124 | 79.4 Ų | 79.4 | 49% | 0.486 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 135.4 | 175 | 85.2 | -96.3 | 0 | 0 | 0 | 112.1 | I42 R52 | Y40-I42 HydrophobicContact CD2-CG1 4.02Å; Y40-I42 HydrophobicContact CE2-CD1 3.74Å; Y40-I42 HydrophobicContact CE2-CG1 3.56Å; Y40-R52 HydrophobicContact CD1-CB 3.99Å; Y40-R52 HydrophobicContact CD1-CG 4.31Å; Y40-R52 HydrophobicContact CE1-CB 3.7Å; Y40-R52 HydrophobicContact CE1-CG 3.74Å; Y40-R52 PolarHBondContact N-O 2.86Å; Y40-R52 PolarHBondContact O-N 3.47Å; Y40-R52 PolarHBondContact OH-NH1 2.94Å |
| 41 | C | 88.1 | Confident | 80.1 | Confident | 33 Ų | 33 | 78.7 Ų | 78.7 | 22% | 0.223 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 138.6 | -176.3 | -171.7 | 0 | 0 | 0 | 0 | 112.6 | C30 P34 C35 | C30-C41 WeakPolarHBondContact CA-SG 3.16Å; C30-C41 HydrophobicContact CB-CB 3.59Å; C30-C41 WeakPolarHBondContact CB-SG 3.35Å; C30-C41 WeakPolarHBondContact SG-CB 3.31Å; C30-C41 CovalentContact SG-SG 2.03Å; C30-C41 PolarHBondContact SG-SG 2.7Å; P34-C41 VanDerWaalsContact CG-SG 3.59Å; C35-C41 WeakPolarHBondContact SG-CA 3.34Å; C35-C41 WeakPolarHBondContact SG-CB 3.29Å |
| 42 | I | 86.2 | Confident | 80.8 | Confident | 55 Ų | 55 | 81.1 Ų | 81.1 | 28% | 0.282 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 115.3 | 171.1 | -52.3 | 177 | 0 | 0 | 0 | 107.9 | C30 Y40 F49 H50 R52 | C30-I42 VanDerWaalsContact SG-C 3.58Å; Y40-I42 HydrophobicContact CD2-CG1 4.02Å; Y40-I42 HydrophobicContact CE2-CD1 3.74Å; Y40-I42 HydrophobicContact CE2-CG1 3.56Å; I42-F49 CarbonylContact O-C 3.55Å; I42-F49 VanDerWaalsContact O-CA 3.32Å; I42-F49 WeakPolarHBondContact O-CA 3.06Å; I42-H50 PolarHBondContact N-O 2.9Å; I42-H50 PolarHBondContact O-N 3.47Å; I42-R52 HydrophobicContact CD1-CB 4.23Å |
| 43 | S | 79.2 | Confident | 81.4 | Confident | 58 Ų | 58 | 78.6 Ų | 78.6 | 41% | 0.406 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 136.3 | 174.7 | 43.8 | 0 | 0 | 0 | 0 | 111.5 | D28 C30 | D28-S43 WeakPolarHBondContact OD1-CB 3.39Å; D28-S43 PolarHBondContact OD1-OG 2.99Å; C30-S43 PolarHBondContact SG-N 2.81Å |
| 44 | Y | 81 | Confident | 82 | Confident | 127 Ų | 127 | 75.2 Ų | 75.2 | 50% | 0.498 | 41% | 0.406 | S | S | . | . | trans | -98.4 | 151.6 | 179.1 | -64.8 | -58.5 | 0 | 0 | 0 | 111.6 | N46 G47 G48 H50 | Y44-N46 PolarHBondContact O-N 2.98Å; Y44-G47 PolarHBondContact O-N 2.85Å; Y44-G48 PolarHBondContact N-O 2.91Å; Y44-H50 HydrophobicContact CE2-CB 3.54Å | ||
| 45 | E | 69.4 | Low | 82.1 | Confident | 198 Ų | 198 | 82.3 Ų | 82.3 | 93% | 0.925 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -16.3 | -177 | -59.4 | -168.2 | 148 | 0 | 0 | 114.6 | ||
| 46 | N | 70.7 | Confident | 82.1 | Confident | 167 Ų | 167 | 82 Ų | 82 | 89% | 0.893 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 2.9 | 176.1 | -67.7 | -25.2 | 0 | 0 | 0 | 114.3 | Y44 | Y44-N46 PolarHBondContact O-N 2.98Š|
| 47 | G | 69.2 | Low | 82.5 | Confident | 44 Ų | 44 | 79.1 Ų | 79.1 | 45% | 0.454 | 42% | 0.421 | S | S | . | . | S | Bend | trans | 82.6 | 16.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y44 | Y44-G47 PolarHBondContact O-N 2.85Š|
| 48 | G | 76.9 | Confident | 83 | Confident | 32 Ų | 32 | 76.6 Ų | 76.6 | 33% | 0.33 | 40% | 0.4 | S | S | . | . | trans | -95.1 | 168.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y44 | Y44-G48 PolarHBondContact N-O 2.91Š| ||
| 49 | F | 83.4 | Confident | 83.5 | Confident | 81 Ų | 81 | 75.9 Ų | 75.9 | 36% | 0.355 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 163.9 | 170.4 | 70.5 | -80.2 | 0 | 0 | 0 | 110.4 | V29 P34 I42 | V29-F49 HydrophobicContact CB-CB 4.3Å; V29-F49 HydrophobicContact CB-CD1 4.37Å; V29-F49 HydrophobicContact CG1-CB 4.3Å; V29-F49 HydrophobicContact CG1-CD1 3.54Å; V29-F49 HydrophobicContact CG1-CE1 4.21Å; V29-F49 HydrophobicContact CG1-CG 4.16Å; P34-F49 HydrophobicContact CB-CD1 4.43Å; P34-F49 HydrophobicContact CB-CD2 3.95Å; P34-F49 HydrophobicContact CB-CE1 4.2Å; P34-F49 HydrophobicContact CB-CE2 3.71Å; P34-F49 HydrophobicContact CB-CG 4.31Å; P34-F49 HydrophobicContact CB-CZ 3.84Å; P34-F49 HydrophobicContact CG-CB 4.45Å; P34-F49 HydrophobicContact CG-CD1 4.42Å; P34-F49 HydrophobicContact CG-CD2 3.67Å; P34-F49 HydrophobicContact CG-CE2 3.97Å; P34-F49 HydrophobicContact CG-CG 3.93Å; P34-F49 HydrophobicContact CG-CZ 4.45Å; I42-F49 CarbonylContact O-C 3.55Å; I42-F49 VanDerWaalsContact O-CA 3.32Å; I42-F49 WeakPolarHBondContact O-CA 3.06Å |
| 50 | H | 87.2 | Confident | 83.5 | Confident | 75 Ų | 75 | 81.7 Ų | 81.7 | 35% | 0.347 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 128.1 | 167.9 | 164 | 58.8 | 0 | 0 | 0 | 108.1 | I42 Y44 | I42-H50 PolarHBondContact N-O 2.9Å; I42-H50 PolarHBondContact O-N 3.47Å; Y44-H50 HydrophobicContact CE2-CB 3.54Å |
| 51 | C | 89.8 | Confident | 83.4 | Confident | 3 Ų | 3 | 78.1 Ų | 78.1 | 2% | 0.02 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 124.9 | 174.8 | -61.9 | 0 | 0 | 0 | 0 | 109.7 | C35 D60 C62 | C35-C51 WeakPolarHBondContact CA-SG 3.44Å; C35-C51 HydrophobicContact CB-CB 3.73Å; C35-C51 WeakPolarHBondContact CB-SG 3.36Å; C35-C51 VanDerWaalsContact SG-CA 3.51Å; C35-C51 WeakPolarHBondContact SG-CB 3.3Å; C35-C51 CovalentContact SG-SG 2.02Å; C35-C51 PolarHBondContact SG-SG 3.22Å; C51-D60 VanDerWaalsContact CB-O 3.23Å; C51-D60 WeakPolarHBondContact CB-O 3.4Å; C51-D60 PolarHBondContact SG-O 2.92Å; C51-C62 WeakPolarHBondContact CB-SG 3.44Å |
| 52 | R | 91.6 | Very high | 83.5 | Confident | 144 Ų | 144 | 76.5 Ų | 76.5 | 54% | 0.543 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 108.8 | 170.5 | -178.9 | 164.8 | 174 | -146.4 | 5.7 | 108.7 | G39 Y40 I42 | G39-R52 WeakPolarHBondContact CA-O 3.41Å; Y40-R52 HydrophobicContact CD1-CB 3.99Å; Y40-R52 HydrophobicContact CD1-CG 4.31Å; Y40-R52 HydrophobicContact CE1-CB 3.7Å; Y40-R52 HydrophobicContact CE1-CG 3.74Å; Y40-R52 PolarHBondContact N-O 2.86Å; Y40-R52 PolarHBondContact O-N 3.47Å; Y40-R52 PolarHBondContact OH-NH1 2.94Å; I42-R52 HydrophobicContact CD1-CB 4.23Å |
| 53 | C | 89.5 | Confident | 83.5 | Confident | 38 Ų | 38 | 76.2 Ų | 76.2 | 26% | 0.257 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 157.3 | -172.5 | -48.6 | 0 | 0 | 0 | 0 | 112.7 | W57 C62 | C53-W57 HydrophobicContact CB-CB 3.99Å; C53-W57 WeakPolarHBondContact CB-O 3.01Å; C53-C62 WeakPolarHBondContact CA-SG 3.41Å; C53-C62 HydrophobicContact CB-CB 3.76Å; C53-C62 WeakPolarHBondContact CB-SG 3.31Å; C53-C62 PolarHBondContact N-SG 3.25Å; C53-C62 WeakPolarHBondContact SG-CA 3.28Å; C53-C62 WeakPolarHBondContact SG-CB 3.35Å; C53-C62 CovalentContact SG-SG 2.04Å; C53-C62 PolarHBondContact SG-SG 2.82Å |
| 54 | S | 86.6 | Confident | 83.9 | Confident | 65 Ų | 65 | 77 Ų | 77 | 46% | 0.455 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 164.5 | 166 | -54.3 | 0 | 0 | 0 | 0 | 109.7 | N38 W57 | N38-S54 WeakPolarHBondContact O-CB 3.39Å; N38-S54 PolarHBondContact O-N 2.83Å; N38-S54 PolarHBondContact O-OG 3.12Å; S54-W57 PolarHBondContact O-N 3.08Å; S54-W57 VanDerWaalsContact O-N 3.17Å |
| 55 | Q | 83 | Confident | 84.2 | Confident | 178 Ų | 178 | 73 Ų | 73 | 83% | 0.832 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 139.3 | 167.9 | -169.4 | 166.4 | -11.3 | 0 | 0 | 109.3 | ||
| 56 | G | 84.9 | Confident | 85 | Confident | 6 Ų | 6 | 65 Ų | 65 | 6% | 0.062 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | 4.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | V66 | G56-V66 PolarHBondContact O-N 2.03Š|
| 57 | W | 89.3 | Confident | 85.8 | Confident | 46 Ų | 46 | 58 Ų | 58 | 17% | 0.174 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 149.5 | -176.6 | -64 | 85.1 | 0 | 0 | 0 | 114.1 | N38 C53 S54 D65 V66 P87 | N38-W57 HydrophobicContact CB-CB 4.15Å; N38-W57 HydrophobicContact CB-CD2 3.5Å; N38-W57 HydrophobicContact CB-CE3 4.03Å; N38-W57 HydrophobicContact CB-CG 3.5Å; N38-W57 VanDerWaalsContact CB-CG 3.5Å; N38-W57 VanDerWaalsContact ND2-CD2 3.26Å; N38-W57 WeakPolarHBondContact ND2-CH2 3.08Å; N38-W57 WeakPolarHBondContact ND2-CZ2 3.09Å; N38-W57 WeakPolarHBondContact ND2-CZ3 3.47Å; C53-W57 HydrophobicContact CB-CB 3.99Å; C53-W57 WeakPolarHBondContact CB-O 3.01Å; S54-W57 PolarHBondContact O-N 3.08Å; S54-W57 VanDerWaalsContact O-N 3.17Å; W57-D65 HydrophobicContact CE3-CB 4.4Å; W57-D65 HydrophobicContact CH2-CB 4.17Å; W57-D65 HydrophobicContact CZ3-CB 3.98Å; W57-V66 VanDerWaalsContact C-CG2 3.45Å; W57-P87 HydrophobicContact CH2-CB 4.09Å; W57-P87 HydrophobicContact CZ2-CB 3.91Å |
| 58 | T | 88.5 | Confident | 86.7 | Confident | 70 Ų | 70 | 57.4 Ų | 57.4 | 43% | 0.429 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | -179.2 | -174.9 | -166.2 | 0 | 0 | 0 | 0 | 112.6 | C62 V64 V66 | T58-C62 CarbonylContact O-C 3.55Å; T58-C62 VanDerWaalsContact O-CA 3.26Å; T58-C62 WeakPolarHBondContact O-CA 3.39Å; T58-V64 HydrophobicContact CG2-CB 3.84Å; T58-V64 HydrophobicContact CG2-CG1 3.8Å; T58-V64 PolarHBondContact N-O 3.29Å; T58-V64 WeakPolarHBondContact O-CB 3.01Å; T58-V64 PolarHBondContact O-N 3.36Å; T58-V64 VanDerWaalsContact O-N 3.14Å; T58-V66 HydrophobicContact CG2-CG2 3.62Å |
| 59 | G | 86.1 | Confident | 87.2 | Confident | 31 Ų | 31 | 56.3 Ų | 56.3 | 32% | 0.32 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 89.7 | 159.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | D61 C62 | G59-D61 PolarHBondContact O-N 2.97Å; G59-D61 VanDerWaalsContact O-N 3.12Å; G59-C62 PolarHBondContact O-N 2.88Å; G59-C62 VanDerWaalsContact O-N 3.08Å |
| 60 | D | 84 | Confident | 87.1 | Confident | 140 Ų | 140 | 55.2 Ų | 55.2 | 75% | 0.749 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -20.6 | -173.8 | -74.5 | -41.5 | 0 | 0 | 0 | 114.2 | C51 | C51-D60 VanDerWaalsContact CB-O 3.23Å; C51-D60 WeakPolarHBondContact CB-O 3.4Å; C51-D60 PolarHBondContact SG-O 2.92Å |
| 61 | D | 87.1 | Confident | 86.6 | Confident | 49 Ų | 49 | 56.6 Ų | 56.6 | 26% | 0.262 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 2.2 | 177.3 | 66.9 | -10.8 | 0 | 0 | 0 | 113.6 | P34 C35 H36 G59 S63 | P34-D61 WeakPolarHBondContact O-CB 3.12Å; C35-D61 CarbonylContact C-O 3.5Å; C35-D61 VanDerWaalsContact CA-O 3.22Å; C35-D61 WeakPolarHBondContact CA-O 2.98Å; H36-D61 IonicContact CD2-OD2 3.53Å; H36-D61 PolarHBondContact N-O 3.44Å; G59-D61 PolarHBondContact O-N 2.97Å; G59-D61 VanDerWaalsContact O-N 3.12Å; D61-S63 VanDerWaalsContact CG-OG 3.23Å; D61-S63 PolarHBondContact O-N 2.93Å; D61-S63 VanDerWaalsContact OD1-CB 3.22Å; D61-S63 WeakPolarHBondContact OD1-CB 3.19Å; D61-S63 PolarHBondContact OD1-N 2.04Å; D61-S63 PolarHBondContact OD1-OG 2.79Å; D61-S63 WeakPolarHBondContact OD2-CB 3.15Å; D61-S63 PolarHBondContact OD2-OG 3.44Å |
| 62 | C | 89.3 | Confident | 84.7 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | S | Bend | trans | 57.6 | 29.2 | -172.7 | -50.7 | 0 | 0 | 0 | 0 | 115 | C51 C53 T58 G59 | C51-C62 WeakPolarHBondContact CB-SG 3.44Å; C53-C62 WeakPolarHBondContact CA-SG 3.41Å; C53-C62 HydrophobicContact CB-CB 3.76Å; C53-C62 WeakPolarHBondContact CB-SG 3.31Å; C53-C62 PolarHBondContact N-SG 3.25Å; C53-C62 WeakPolarHBondContact SG-CA 3.28Å; C53-C62 WeakPolarHBondContact SG-CB 3.35Å; C53-C62 CovalentContact SG-SG 2.04Å; C53-C62 PolarHBondContact SG-SG 2.82Å; T58-C62 CarbonylContact O-C 3.55Å; T58-C62 VanDerWaalsContact O-CA 3.26Å; T58-C62 WeakPolarHBondContact O-CA 3.39Å; G59-C62 PolarHBondContact O-N 2.88Å; G59-C62 VanDerWaalsContact O-N 3.08Å |
| 63 | S | 87 | Confident | 83 | Confident | 48 Ų | 48 | 60 Ų | 60 | 34% | 0.336 | 35% | 0.352 | S | S | . | . | trans | -81.2 | -20.2 | 173 | 62.7 | 0 | 0 | 0 | 0 | 113.9 | D61 | D61-S63 VanDerWaalsContact CG-OG 3.23Å; D61-S63 PolarHBondContact O-N 2.93Å; D61-S63 VanDerWaalsContact OD1-CB 3.22Å; D61-S63 WeakPolarHBondContact OD1-CB 3.19Å; D61-S63 PolarHBondContact OD1-N 2.04Å; D61-S63 PolarHBondContact OD1-OG 2.79Å; D61-S63 WeakPolarHBondContact OD2-CB 3.15Å; D61-S63 PolarHBondContact OD2-OG 3.44Å | ||
| 64 | V | 86.8 | Confident | 81.6 | Confident | 76 Ų | 76 | 63.6 Ų | 63.6 | 46% | 0.461 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 124.5 | -174.1 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | T58 | T58-V64 HydrophobicContact CG2-CB 3.84Å; T58-V64 HydrophobicContact CG2-CG1 3.8Å; T58-V64 PolarHBondContact N-O 3.29Å; T58-V64 WeakPolarHBondContact O-CB 3.01Å; T58-V64 PolarHBondContact O-N 3.36Å; T58-V64 VanDerWaalsContact O-N 3.14Å |
| 65 | D | 88.5 | Confident | 81.2 | Confident | 43 Ų | 43 | 63.6 Ų | 63.6 | 23% | 0.23 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 140.1 | 173.6 | -165.5 | 35.8 | 0 | 0 | 0 | 110.4 | W57 D67 N85 G88 | W57-D65 HydrophobicContact CE3-CB 4.4Å; W57-D65 HydrophobicContact CH2-CB 4.17Å; W57-D65 HydrophobicContact CZ3-CB 3.98Å; D65-D67 PolarHBondContact O-N 3.01Å; D65-N85 PolarHBondContact OD2-ND2 2.91Å; D65-G88 PolarHBondContact OD1-N 2.02Å |
| 66 | V | 86.4 | Confident | 81.4 | Confident | 30 Ų | 30 | 55.9 Ų | 55.9 | 18% | 0.182 | 33% | 0.334 | C | S | . | . | trans | -92.2 | 99 | 175.6 | 177.1 | 0 | 0 | 0 | 0 | 108.6 | G56 W57 T58 E68 L71 | G56-V66 PolarHBondContact O-N 2.03Å; W57-V66 VanDerWaalsContact C-CG2 3.45Å; T58-V66 HydrophobicContact CG2-CG2 3.62Å; V66-E68 HydrophobicContact CG1-CG 4.34Å; V66-E68 PolarHBondContact O-N 2.84Å; V66-L71 HydrophobicContact CG1-CD1 3.97Å; V66-L71 HydrophobicContact CG1-CD2 4.27Å; V66-L71 HydrophobicContact CG1-CG 4.49Å | ||
| 67 | D | 86.8 | Confident | 81.6 | Confident | 18 Ų | 18 | 56 Ų | 56 | 10% | 0.096 | 33% | 0.333 | C | S | . | . | trans | -65.7 | 97.5 | 174.3 | 176.1 | 4.1 | 0 | 0 | 0 | 111.8 | D65 C69 H70 N85 M862 | D65-D67 PolarHBondContact O-N 3.01Å; D67-C69 PolarHBondContact O-N 2.05Å; D67-C69 WeakPolarHBondContact OD1-CA 3.39Å; D67-C69 VanDerWaalsContact OD1-CB 3.29Å; D67-C69 WeakPolarHBondContact OD1-CB 3Å; D67-C69 PolarHBondContact OD1-N 2.91Å; D67-H70 HydrophobicContact CB-CB 4.15Å; D67-H70 WeakPolarHBondContact O-CB 3Å; D67-H70 PolarHBondContact O-N 2.73Å; D67-H70 VanDerWaalsContact O-N 3.08Å; D67-H70 IonicContact OD1-CD2 3.2Å; D67-H70 PolarHBondContact OD1-N 2.76Å; D67-H70 WeakPolarHBondContact OD2-CB 3.1Å; D67-H70 IonicContact OD2-CD2 3.29Å; D67-H70 PolarHBondContact OD2-CD2 3.03Å; D67-H70 IonicContact OD2-CG 2.69Å; D67-N85 WeakPolarHBondContact CA-OD1 3.46Å; D67-M862 HydrophobicContact CB-CE 4.03Å; D67-M862 WeakPolarHBondContact OD2-CB 3.24Å; D67-M862 WeakPolarHBondContact OD2-CE 3.13Å | ||
| 68 | E | 87.6 | Confident | 81.6 | Confident | 32 Ų | 32 | 57.5 Ų | 57.5 | 15% | 0.15 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -14.3 | -179 | -71.4 | 129.3 | 172.1 | 0 | 0 | 113.3 | V66 H70 L71 P76 G89 Y90 | V66-E68 HydrophobicContact CG1-CG 4.34Å; V66-E68 PolarHBondContact O-N 2.84Å; E68-H70 PolarHBondContact O-N 3.48Å; E68-L71 HydrophobicContact CG-CD1 4.07Å; E68-P76 WeakPolarHBondContact O-CD 3.2Å; E68-G89 WeakPolarHBondContact OE2-CA 3.04Å; E68-Y90 HydrophobicContact CB-CD1 3.73Å; E68-Y90 HydrophobicContact CB-CG 4.43Å; E68-Y90 HydrophobicContact CG-CD1 4.28Å; E68-Y90 WeakPolarHBondContact OE2-CD1 3.13Å; E68-Y90 PolarHBondContact OE2-N 2.79Å |
| 69 | C | 87.7 | Confident | 81.4 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 6% | 0.061 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -12.4 | 168.7 | -50 | 0 | 0 | 0 | 0 | 111.9 | D67 C83 N85 S860 | D67-C69 PolarHBondContact O-N 2.05Å; D67-C69 WeakPolarHBondContact OD1-CA 3.39Å; D67-C69 VanDerWaalsContact OD1-CB 3.29Å; D67-C69 WeakPolarHBondContact OD1-CB 3Å; D67-C69 PolarHBondContact OD1-N 2.91Å; C69-C83 WeakPolarHBondContact CA-SG 3.48Å; C69-C83 HydrophobicContact CB-CB 3.81Å; C69-C83 WeakPolarHBondContact CB-SG 3.08Å; C69-C83 WeakPolarHBondContact SG-CB 3.18Å; C69-C83 CovalentContact SG-SG 2.04Å; C69-C83 PolarHBondContact SG-SG 3.34Å; C69-N85 PolarHBondContact SG-N 3.4Å; C69-N85 VanDerWaalsContact SG-N 3.41Å; C69-S860 WeakPolarHBondContact O-CB 3.43Å; C69-S860 PolarHBondContact O-OG 2.03Å |
| 70 | H | 81.7 | Confident | 81.4 | Confident | 58 Ų | 58 | 60.3 Ų | 60.3 | 27% | 0.269 | 34% | 0.344 | S | S | . | . | trans | -110.2 | -7.6 | -174.2 | -94.1 | -89.2 | 0 | 0 | 0 | 117.1 | D67 E68 S72 S860 P861 M862 | D67-H70 HydrophobicContact CB-CB 4.15Å; D67-H70 WeakPolarHBondContact O-CB 3Å; D67-H70 PolarHBondContact O-N 2.73Å; D67-H70 VanDerWaalsContact O-N 3.08Å; D67-H70 IonicContact OD1-CD2 3.2Å; D67-H70 PolarHBondContact OD1-N 2.76Å; D67-H70 WeakPolarHBondContact OD2-CB 3.1Å; D67-H70 IonicContact OD2-CD2 3.29Å; D67-H70 PolarHBondContact OD2-CD2 3.03Å; D67-H70 IonicContact OD2-CG 2.69Å; E68-H70 PolarHBondContact O-N 3.48Å; H70-S72 VanDerWaalsContact C-N 3.3Å; H70-S72 PolarHBondContact O-N 3.11Å; H70-S860 PolarHBondContact CE1-O 3.03Å; H70-S860 VanDerWaalsContact NE2-CB 3.34Å; H70-S860 WeakPolarHBondContact NE2-CB 3.38Å; H70-S860 PolarHBondContact NE2-O 3.36Å; H70-P861 PolarHBondContact CE1-O 2.8Å; H70-P861 VanDerWaalsContact CE1-O 3.23Å; H70-P861 WeakPolarHBondContact NE2-CA 3.28Å; H70-P861 WeakPolarHBondContact NE2-CB 3.49Å; H70-P861 WeakPolarHBondContact NE2-CD 3.39Å; H70-P861 WeakPolarHBondContact NE2-CG 3.06Å; H70-M862 PolarHBondContact CE1-N 3.21Å; H70-M862 VanDerWaalsContact CE1-N 3.26Å; H70-M862 PolarHBondContact CE1-O 2.86Å; H70-M862 VanDerWaalsContact CE1-O 3.27Å; H70-M862 PolarHBondContact NE2-N 2.93Å | ||
| 71 | L | 76.4 | Confident | 81.6 | Confident | 104 Ų | 104 | 53.7 Ų | 53.7 | 55% | 0.545 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -71.7 | 87.5 | -179.5 | -60.1 | 179.7 | 0 | 0 | 0 | 110.1 | V66 E68 S73 | V66-L71 HydrophobicContact CG1-CD1 3.97Å; V66-L71 HydrophobicContact CG1-CD2 4.27Å; V66-L71 HydrophobicContact CG1-CG 4.49Å; E68-L71 HydrophobicContact CG-CD1 4.07Å; L71-S73 PolarHBondContact O-N 3.4Å |
| 72 | S | 49.7 | Very low | 81.7 | Confident | 106 Ų | 106 | 55.4 Ų | 55.4 | 74% | 0.741 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 88.4 | -156.9 | 50.5 | 0 | 0 | 0 | 0 | 115.5 | H70 | H70-S72 VanDerWaalsContact C-N 3.3Å; H70-S72 PolarHBondContact O-N 3.11Å |
| 73 | S | 55.8 | Low | 81.8 | Confident | 113 Ų | 113 | 56.4 Ų | 56.4 | 79% | 0.79 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -162.3 | -34.4 | 155.3 | 39.4 | 0 | 0 | 0 | 0 | 112.9 | L71 | L71-S73 PolarHBondContact O-N 3.4Š|
| 74 | T | 61 | Low | 82 | Confident | 113 Ų | 113 | 57.7 Ų | 57.7 | 69% | 0.693 | 33% | 0.331 | S | S | * | . | trans | -146.7 | 131.8 | 174.5 | 45.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 75 | N | 78.8 | Confident | 82.1 | Confident | 65 Ų | 65 | 55.4 Ų | 55.4 | 35% | 0.348 | 32% | 0.316 | S | S | . | . | trans | -53 | 131.8 | 160.8 | 175.1 | 0.1 | 0 | 0 | 0 | 108.5 | C77 G81 C83 | N75-C77 PolarHBondContact O-N 2.69Å; N75-C77 WeakPolarHBondContact OD1-CB 3.23Å; N75-C77 PolarHBondContact OD1-N 2.99Å; N75-G81 PolarHBondContact ND2-O 2.83Å; N75-C83 VanDerWaalsContact OD1-CB 3.31Å; N75-C83 WeakPolarHBondContact OD1-CB 3.08Å | ||
| 76 | P | 86.4 | Confident | 82 | Confident | 17 Ų | 17 | 55.7 Ų | 55.7 | 11% | 0.11 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -63.3 | -22.8 | 176.9 | 25.7 | -35.2 | 0 | 0 | 0 | 112.8 | E68 C83 Y90 R102 | E68-P76 WeakPolarHBondContact O-CD 3.2Å; P76-C83 VanDerWaalsContact CG-SG 3.57Å; P76-Y90 HydrophobicContact CB-CD1 4.06Å; P76-Y90 HydrophobicContact CB-CD2 4.02Å; P76-Y90 HydrophobicContact CB-CE1 3.8Å; P76-Y90 HydrophobicContact CB-CE2 3.76Å; P76-Y90 HydrophobicContact CB-CG 4.18Å; P76-Y90 HydrophobicContact CG-CD1 3.98Å; P76-Y90 HydrophobicContact CG-CD2 3.87Å; P76-Y90 HydrophobicContact CG-CE1 4.25Å; P76-Y90 HydrophobicContact CG-CE2 4.15Å; P76-Y90 HydrophobicContact CG-CG 3.79Å; P76-R102 PolarHBondContact O-NE 3.12Å; P76-R102 PolarHBondContact O-NH2 2.66Å |
| 77 | C | 90 | Very high | 82 | Confident | 7 Ų | 7 | 59.5 Ų | 59.5 | 5% | 0.047 | 35% | 0.346 | C | S | . | . | trans | -83.5 | 129.1 | 175.3 | -45.8 | 0 | 0 | 0 | 0 | 112 | N75 G81 C83 C92 R102 | N75-C77 PolarHBondContact O-N 2.69Å; N75-C77 WeakPolarHBondContact OD1-CB 3.23Å; N75-C77 PolarHBondContact OD1-N 2.99Å; C77-G81 WeakPolarHBondContact CB-O 3.04Å; C77-C83 VanDerWaalsContact SG-CA 3.58Å; C77-C92 WeakPolarHBondContact CA-SG 3.33Å; C77-C92 HydrophobicContact CB-CB 3.76Å; C77-C92 WeakPolarHBondContact CB-SG 3.35Å; C77-C92 WeakPolarHBondContact SG-CA 3.49Å; C77-C92 WeakPolarHBondContact SG-CB 3.25Å; C77-C92 CovalentContact SG-SG 2.03Å; C77-C92 PolarHBondContact SG-SG 2.82Å; C77-R102 CarbonylContact C-O 2.97Å; C77-R102 WeakPolarHBondContact CA-O 3.45Å | ||
| 78 | E | 87.5 | Confident | 81.9 | Confident | 78 Ų | 78 | 60 Ų | 60 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -89.7 | 179.4 | 175.3 | -58.9 | -172.4 | -173.6 | 0 | 0 | 110.6 | N80 G81 R102 | E78-N80 PolarHBondContact O-N 3.33Å; E78-G81 PolarHBondContact O-N 3.33Å; E78-R102 PolarHBondContact N-O 3.07Å; E78-R102 IonicContact OE1-CZ 3.5Å; E78-R102 IonicContact OE1-NH1 2.85Å; E78-R102 PolarHBondContact OE1-NH1 3.19Å; E78-R102 IonicContact OE1-NH2 3.93Å; E78-R102 PolarHBondContact OE1-NH2 2.88Å |
| 79 | H | 86.1 | Confident | 81.8 | Confident | 79 Ų | 79 | 59.3 Ų | 59.3 | 37% | 0.366 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.1 | 39.5 | -179.2 | -56.6 | 107.8 | 0 | 0 | 0 | 115.2 | G81 S95 Y98 C103 | H79-G81 PolarHBondContact O-N 3.37Å; H79-S95 WeakPolarHBondContact O-CB 3.5Å; H79-S95 PolarHBondContact O-OG 2.96Å; H79-Y98 HydrophobicContact CB-CD1 3.76Å; H79-Y98 HydrophobicContact CB-CD2 3.65Å; H79-Y98 HydrophobicContact CB-CE1 3.95Å; H79-Y98 HydrophobicContact CB-CE2 3.78Å; H79-Y98 HydrophobicContact CB-CG 3.64Å; H79-Y98 AromaticContact CD2-CE1 3.58Å; H79-Y98 AromaticContact CD2-CZ 3.75Å; H79-Y98 AromaticContact CE1-CE1 3.99Å; H79-Y98 AromaticContact CG-CD1 3.5Å; H79-Y98 AromaticContact CG-CE1 3.44Å; H79-Y98 VanDerWaalsContact CG-CE1 3.44Å; H79-Y98 AromaticContact CG-CG 3.95Å; H79-Y98 AromaticContact CG-CZ 3.79Å; H79-Y98 AromaticContact ND1-CD1 3.52Å; H79-Y98 AromaticContact ND1-CE1 3.71Å; H79-Y98 AromaticContact NE2-CE1 3.97Å; H79-C103 PolarHBondContact ND1-O 2.88Å |
| 80 | N | 84.4 | Confident | 81.9 | Confident | 81 Ų | 81 | 62.6 Ų | 62.6 | 43% | 0.433 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 22.4 | -176.5 | -62 | -13.6 | 0 | 0 | 0 | 115.3 | E78 R628 | E78-N80 PolarHBondContact O-N 3.33Å; N80-R628 PolarHBondContact O-NH1 3.11Å |
| 81 | G | 88 | Confident | 82.3 | Confident | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.01 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 143.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | N75 C77 E78 H79 C83 L93 | N75-G81 PolarHBondContact ND2-O 2.83Å; C77-G81 WeakPolarHBondContact CB-O 3.04Å; E78-G81 PolarHBondContact O-N 3.33Å; H79-G81 PolarHBondContact O-N 3.37Å; G81-C83 PolarHBondContact O-N 2.91Å; G81-L93 CarbonylContact C-O 3.47Å; G81-L93 VanDerWaalsContact CA-O 3.23Å; G81-L93 WeakPolarHBondContact CA-O 3.35Å |
| 82 | V | 89.9 | Confident | 83.1 | Confident | 85 Ų | 85 | 61 Ų | 61 | 52% | 0.515 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 117.7 | 179.5 | -179.1 | 0 | 0 | 0 | 0 | 109 | L93 | V82-L93 HydrophobicContact CB-CB 4.34Å; V82-L93 PolarHBondContact N-O 3.03Å; V82-L93 PolarHBondContact O-N 2.82Å |
| 83 | C | 91.9 | Very high | 85.1 | Confident | 21 Ų | 21 | 59.9 Ų | 59.9 | 14% | 0.142 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 125.4 | 174.7 | -173.1 | 0 | 0 | 0 | 0 | 110.5 | C69 N75 P76 C77 G81 | C69-C83 WeakPolarHBondContact CA-SG 3.48Å; C69-C83 HydrophobicContact CB-CB 3.81Å; C69-C83 WeakPolarHBondContact CB-SG 3.08Å; C69-C83 WeakPolarHBondContact SG-CB 3.18Å; C69-C83 CovalentContact SG-SG 2.04Å; C69-C83 PolarHBondContact SG-SG 3.34Å; N75-C83 VanDerWaalsContact OD1-CB 3.31Å; N75-C83 WeakPolarHBondContact OD1-CB 3.08Å; P76-C83 VanDerWaalsContact CG-SG 3.57Å; C77-C83 VanDerWaalsContact SG-CA 3.58Å; G81-C83 PolarHBondContact O-N 2.91Å |
| 84 | I | 90.3 | Very high | 86.8 | Confident | 76 Ų | 76 | 56.6 Ų | 56.6 | 39% | 0.39 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 116.4 | 169.3 | -61.6 | -177.9 | 0 | 0 | 0 | 107 | Q91 L93 | I84-Q91 PolarHBondContact N-O 2.79Å; I84-Q91 PolarHBondContact O-N 3.36Å; I84-L93 HydrophobicContact CD1-CD1 3.55Å; I84-L93 HydrophobicContact CD1-CG 3.83Å |
| 85 | N | 89.7 | Confident | 88.1 | Confident | 28 Ų | 28 | 51.8 Ų | 51.8 | 15% | 0.15 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 140 | 172.2 | -175.2 | 60.4 | 0 | 0 | 0 | 110.4 | D65 D67 C69 M862 | D65-N85 PolarHBondContact OD2-ND2 2.91Å; D67-N85 WeakPolarHBondContact CA-OD1 3.46Å; C69-N85 PolarHBondContact SG-N 3.4Å; C69-N85 VanDerWaalsContact SG-N 3.41Å; N85-M862 HydrophobicContact CB-CE 4.12Å; N85-M862 HydrophobicContact CB-SD 3.93Å |
| 86 | S | 86.5 | Confident | 88.5 | Confident | 49 Ų | 49 | 50.4 Ų | 50.4 | 34% | 0.343 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 158 | 176.2 | 79.9 | 0 | 0 | 0 | 0 | 110.3 | G88 G89 | S86-G88 PolarHBondContact O-N 3.2Å; S86-G89 CarbonylContact C-O 3.58Å; S86-G89 VanDerWaalsContact C-O 3.32Å; S86-G89 VanDerWaalsContact CA-O 3.27Å; S86-G89 WeakPolarHBondContact CA-O 3.04Å; S86-G89 WeakPolarHBondContact CB-O 3.46Å; S86-G89 PolarHBondContact N-O 2.8Å; S86-G89 CarbonylContact O-C 2.82Å; S86-G89 PolarHBondContact O-N 3.37Å; S86-G89 PolarHBondContact OG-O 3.45Å |
| 87 | P | 86.9 | Confident | 88.5 | Confident | 109 Ų | 109 | 49.7 Ų | 49.7 | 71% | 0.708 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 102 | -173.4 | -26.7 | 36.8 | 0 | 0 | 0 | 113.5 | W57 | W57-P87 HydrophobicContact CH2-CB 4.09Å; W57-P87 HydrophobicContact CZ2-CB 3.91Å |
| 88 | G | 82.9 | Confident | 88.6 | Confident | 29 Ų | 29 | 50.7 Ų | 50.7 | 30% | 0.299 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | 17.8 | -177 | 0 | 0 | 0 | 0 | 0 | 116.7 | D65 S86 | D65-G88 PolarHBondContact OD1-N 2.02Å; S86-G88 PolarHBondContact O-N 3.2Å |
| 89 | G | 86.8 | Confident | 88.7 | Confident | 17 Ų | 17 | 51.4 Ų | 51.4 | 18% | 0.175 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.4 | 165 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | E68 S86 | E68-G89 WeakPolarHBondContact OE2-CA 3.04Å; S86-G89 CarbonylContact C-O 3.58Å; S86-G89 VanDerWaalsContact C-O 3.32Å; S86-G89 VanDerWaalsContact CA-O 3.27Å; S86-G89 WeakPolarHBondContact CA-O 3.04Å; S86-G89 WeakPolarHBondContact CB-O 3.46Å; S86-G89 PolarHBondContact N-O 2.8Å; S86-G89 CarbonylContact O-C 2.82Å; S86-G89 PolarHBondContact O-N 3.37Å; S86-G89 PolarHBondContact OG-O 3.45Å |
| 90 | Y | 89.5 | Confident | 88.9 | Confident | 79 Ų | 79 | 49.4 Ų | 49.4 | 31% | 0.31 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 155.7 | 173.6 | 63.1 | -86.3 | 0 | 0 | 0 | 113.8 | E68 P76 R102 | E68-Y90 HydrophobicContact CB-CD1 3.73Å; E68-Y90 HydrophobicContact CB-CG 4.43Å; E68-Y90 HydrophobicContact CG-CD1 4.28Å; E68-Y90 WeakPolarHBondContact OE2-CD1 3.13Å; E68-Y90 PolarHBondContact OE2-N 2.79Å; P76-Y90 HydrophobicContact CB-CD1 4.06Å; P76-Y90 HydrophobicContact CB-CD2 4.02Å; P76-Y90 HydrophobicContact CB-CE1 3.8Å; P76-Y90 HydrophobicContact CB-CE2 3.76Å; P76-Y90 HydrophobicContact CB-CG 4.18Å; P76-Y90 HydrophobicContact CG-CD1 3.98Å; P76-Y90 HydrophobicContact CG-CD2 3.87Å; P76-Y90 HydrophobicContact CG-CE1 4.25Å; P76-Y90 HydrophobicContact CG-CE2 4.15Å; P76-Y90 HydrophobicContact CG-CG 3.79Å; Y90-R102 HydrophobicContact CE2-CG 4.04Å; Y90-R102 WeakPolarHBondContact OH-CD 3.02Å; Y90-R102 WeakPolarHBondContact OH-CG 3.42Å |
| 91 | Q | 89.9 | Confident | 89 | Confident | 113 Ų | 113 | 49.4 Ų | 49.4 | 53% | 0.528 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 135 | 161.3 | 178.7 | 176 | -7.5 | 0 | 0 | 109.2 | I84 | I84-Q91 PolarHBondContact N-O 2.79Å; I84-Q91 PolarHBondContact O-N 3.36Å |
| 92 | C | 92.7 | Very high | 89 | Confident | 14 Ų | 14 | 52.9 Ų | 52.9 | 10% | 0.095 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 127.5 | 170.6 | -64.1 | 0 | 0 | 0 | 0 | 110.5 | C77 C103 | C77-C92 WeakPolarHBondContact CA-SG 3.33Å; C77-C92 HydrophobicContact CB-CB 3.76Å; C77-C92 WeakPolarHBondContact CB-SG 3.35Å; C77-C92 WeakPolarHBondContact SG-CA 3.49Å; C77-C92 WeakPolarHBondContact SG-CB 3.25Å; C77-C92 CovalentContact SG-SG 2.03Å; C77-C92 PolarHBondContact SG-SG 2.82Å; C92-C103 VanDerWaalsContact CB-SG 3.55Å |
| 93 | L | 91.8 | Very high | 89.1 | Confident | 83 Ų | 83 | 48.8 Ų | 48.8 | 44% | 0.435 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 118.7 | 161.9 | -60.2 | -174 | 0 | 0 | 0 | 108.2 | G81 V82 I84 | G81-L93 CarbonylContact C-O 3.47Å; G81-L93 VanDerWaalsContact CA-O 3.23Å; G81-L93 WeakPolarHBondContact CA-O 3.35Å; V82-L93 HydrophobicContact CB-CB 4.34Å; V82-L93 PolarHBondContact N-O 3.03Å; V82-L93 PolarHBondContact O-N 2.82Å; I84-L93 HydrophobicContact CD1-CD1 3.55Å; I84-L93 HydrophobicContact CD1-CG 3.83Å |
| 94 | C | 91.7 | Very high | 89 | Confident | 45 Ų | 45 | 50.5 Ų | 50.5 | 30% | 0.304 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -79.8 | 146.3 | -172.8 | -55.9 | 0 | 0 | 0 | 0 | 112.4 | Y98 C103 | C94-Y98 WeakPolarHBondContact CB-O 3.39Å; C94-C103 WeakPolarHBondContact CA-SG 3.03Å; C94-C103 HydrophobicContact CB-CB 3.69Å; C94-C103 WeakPolarHBondContact CB-SG 3.09Å; C94-C103 PolarHBondContact N-SG 3.43Å; C94-C103 WeakPolarHBondContact SG-CA 3.38Å; C94-C103 WeakPolarHBondContact SG-CB 3.29Å; C94-C103 CovalentContact SG-SG 2.04Å; C94-C103 PolarHBondContact SG-SG 2.04Å |
| 95 | S | 88.2 | Confident | 89 | Confident | 11 Ų | 11 | 50.8 Ų | 50.8 | 8% | 0.077 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -58 | 147.2 | 161.4 | -57.8 | 0 | 0 | 0 | 0 | 108.7 | H79 G97 Y98 R628 | H79-S95 WeakPolarHBondContact O-CB 3.5Å; H79-S95 PolarHBondContact O-OG 2.96Å; S95-G97 PolarHBondContact O-N 3.06Å; S95-Y98 PolarHBondContact O-N 2.97Å; S95-Y98 VanDerWaalsContact O-N 3.15Å; S95-R628 PolarHBondContact OG-NH1 3.26Å |
| 96 | P | 87 | Confident | 88.8 | Confident | 37 Ų | 37 | 53.3 Ų | 53.3 | 24% | 0.24 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 140.3 | 170.9 | -22.2 | 30.7 | 0 | 0 | 0 | 110.8 | N126 R628 | P96-N126 VanDerWaalsContact C-OD1 3.23Å; P96-N126 WeakPolarHBondContact CA-OD1 3.38Å; P96-N126 HydrophobicContact CB-CB 4.01Å; P96-N126 VanDerWaalsContact CB-CG 3.46Å; P96-N126 WeakPolarHBondContact CB-OD1 3.36Å; P96-R628 WeakPolarHBondContact CG-O 3.31Å |
| 97 | G | 86.8 | Confident | 88.8 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | -2.5 | -174 | 0 | 0 | 0 | 0 | 0 | 115.1 | S95 I107 N126 | S95-G97 PolarHBondContact O-N 3.06Å; G97-I107 PolarHBondContact O-N 3.4Å; G97-N126 PolarHBondContact N-OD1 3.24Å |
| 98 | Y | 92.5 | Very high | 88.8 | Confident | 29 Ų | 29 | 53.5 Ų | 53.5 | 11% | 0.114 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 149.2 | -179.8 | -62.5 | -78 | 0 | 0 | 0 | 113.2 | H79 C94 S95 D105 E106 I125 | H79-Y98 HydrophobicContact CB-CD1 3.76Å; H79-Y98 HydrophobicContact CB-CD2 3.65Å; H79-Y98 HydrophobicContact CB-CE1 3.95Å; H79-Y98 HydrophobicContact CB-CE2 3.78Å; H79-Y98 HydrophobicContact CB-CG 3.64Å; H79-Y98 AromaticContact CD2-CE1 3.58Å; H79-Y98 AromaticContact CD2-CZ 3.75Å; H79-Y98 AromaticContact CE1-CE1 3.99Å; H79-Y98 AromaticContact CG-CD1 3.5Å; H79-Y98 AromaticContact CG-CE1 3.44Å; H79-Y98 VanDerWaalsContact CG-CE1 3.44Å; H79-Y98 AromaticContact CG-CG 3.95Å; H79-Y98 AromaticContact CG-CZ 3.79Å; H79-Y98 AromaticContact ND1-CD1 3.52Å; H79-Y98 AromaticContact ND1-CE1 3.71Å; H79-Y98 AromaticContact NE2-CE1 3.97Å; C94-Y98 WeakPolarHBondContact CB-O 3.39Å; S95-Y98 PolarHBondContact O-N 2.97Å; S95-Y98 VanDerWaalsContact O-N 3.15Å; Y98-D105 WeakPolarHBondContact CA-O 3.31Å; Y98-E106 HydrophobicContact CD1-CB 4.18Å; Y98-E106 HydrophobicContact CD1-CG 4.44Å; Y98-E106 HydrophobicContact CE1-CB 3.91Å; Y98-E106 HydrophobicContact CE1-CG 3.9Å; Y98-E106 WeakPolarHBondContact CE1-OE1 3.31Å; Y98-E106 PolarHBondContact OH-OE1 3.3Å; Y98-I125 HydrophobicContact CD2-CG2 4.49Å; Y98-I125 HydrophobicContact CE2-CG2 3.5Å; Y98-I125 WeakPolarHBondContact OH-CG2 3.15Å |
| 99 | H | 90.2 | Very high | 89.1 | Confident | 93 Ų | 93 | 54.1 Ų | 54.1 | 43% | 0.431 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | -173.5 | 176.7 | 74.3 | -55.1 | 0 | 0 | 0 | 110.8 | C103 E104 D105 E106 I107 | H99-C103 CarbonylContact O-C 3.58Å; H99-C103 VanDerWaalsContact O-CA 3.23Å; H99-C103 WeakPolarHBondContact O-CA 3.32Å; H99-E104 PolarHBondContact O-N 2.77Å; H99-D105 VanDerWaalsContact CE1-CB 3.42Å; H99-D105 WeakPolarHBondContact CE1-CB 3.4Å; H99-D105 PolarHBondContact N-O 3Å; H99-D105 PolarHBondContact ND1-O 2.9Å; H99-D105 PolarHBondContact O-N 3.37Å; H99-E106 PolarHBondContact CE1-O 2.88Å; H99-E106 VanDerWaalsContact CE1-O 3.32Å; H99-I107 HydrophobicContact CB-CG1 4.26Å |
| 100 | G | 89.5 | Confident | 89.3 | Confident | 36 Ų | 36 | 54.2 Ų | 54.2 | 37% | 0.371 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 100.7 | -179.9 | -174 | 0 | 0 | 0 | 0 | 0 | 113 | R102 E104 | G100-R102 VanDerWaalsContact C-N 3.32Å; G100-E104 WeakPolarHBondContact CA-OE2 3.48Å |
| 101 | S | 85.9 | Confident | 89.2 | Confident | 82 Ų | 82 | 54 Ų | 54 | 57% | 0.573 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -75 | -23.3 | -174.6 | 68.4 | 0 | 0 | 0 | 0 | 114.3 | E104 | S101-E104 PolarHBondContact N-OE1 3.09Å; S101-E104 PolarHBondContact N-OE2 3.23Å; S101-E104 PolarHBondContact OG-OE1 3.13Å |
| 102 | R | 89.3 | Confident | 89 | Confident | 73 Ų | 73 | 55.9 Ų | 55.9 | 28% | 0.275 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -128 | 10.3 | -176.9 | -65.2 | 176.5 | 61.8 | -116 | -11.2 | 111.4 | P76 C77 E78 Y90 G100 E104 | P76-R102 PolarHBondContact O-NE 3.12Å; P76-R102 PolarHBondContact O-NH2 2.66Å; C77-R102 CarbonylContact C-O 2.97Å; C77-R102 WeakPolarHBondContact CA-O 3.45Å; E78-R102 PolarHBondContact N-O 3.07Å; E78-R102 IonicContact OE1-CZ 3.5Å; E78-R102 IonicContact OE1-NH1 2.85Å; E78-R102 PolarHBondContact OE1-NH1 3.19Å; E78-R102 IonicContact OE1-NH2 3.93Å; E78-R102 PolarHBondContact OE1-NH2 2.88Å; Y90-R102 HydrophobicContact CE2-CG 4.04Å; Y90-R102 WeakPolarHBondContact OH-CD 3.02Å; Y90-R102 WeakPolarHBondContact OH-CG 3.42Å; G100-R102 VanDerWaalsContact C-N 3.32Å; R102-E104 WeakPolarHBondContact CA-OE2 3.41Å; R102-E104 HydrophobicContact CB-CB 4.5Å; R102-E104 PolarHBondContact N-OE1 3.18Å; R102-E104 PolarHBondContact N-OE2 2.9Å |
| 103 | C | 91.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | S | Bend | trans | 61 | 36.5 | -170.5 | -47.2 | 0 | 0 | 0 | 0 | 112.4 | H79 C92 C94 H99 | H79-C103 PolarHBondContact ND1-O 2.88Å; C92-C103 VanDerWaalsContact CB-SG 3.55Å; C94-C103 WeakPolarHBondContact CA-SG 3.03Å; C94-C103 HydrophobicContact CB-CB 3.69Å; C94-C103 WeakPolarHBondContact CB-SG 3.09Å; C94-C103 PolarHBondContact N-SG 3.43Å; C94-C103 WeakPolarHBondContact SG-CA 3.38Å; C94-C103 WeakPolarHBondContact SG-CB 3.29Å; C94-C103 CovalentContact SG-SG 2.04Å; C94-C103 PolarHBondContact SG-SG 2.04Å; H99-C103 CarbonylContact O-C 3.58Å; H99-C103 VanDerWaalsContact O-CA 3.23Å; H99-C103 WeakPolarHBondContact O-CA 3.32Å |
| 104 | E | 89.7 | Confident | 88.7 | Confident | 56 Ų | 56 | 58.2 Ų | 58.2 | 26% | 0.262 | 33% | 0.327 | S | S | . | . | trans | -83.8 | -24.5 | -176.5 | 66 | -84.3 | -125.3 | 0 | 0 | 113.2 | H99 G100 S101 R102 | H99-E104 PolarHBondContact O-N 2.77Å; G100-E104 WeakPolarHBondContact CA-OE2 3.48Å; S101-E104 PolarHBondContact N-OE1 3.09Å; S101-E104 PolarHBondContact N-OE2 3.23Å; S101-E104 PolarHBondContact OG-OE1 3.13Å; R102-E104 WeakPolarHBondContact CA-OE2 3.41Å; R102-E104 HydrophobicContact CB-CB 4.5Å; R102-E104 PolarHBondContact N-OE1 3.18Å; R102-E104 PolarHBondContact N-OE2 2.9Å | ||
| 105 | D | 89.2 | Confident | 88.9 | Confident | 83 Ų | 83 | 57 Ų | 57 | 44% | 0.444 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 121.8 | -174.5 | -61.8 | -57.5 | 0 | 0 | 0 | 110.9 | Y98 H99 | Y98-D105 WeakPolarHBondContact CA-O 3.31Å; H99-D105 VanDerWaalsContact CE1-CB 3.42Å; H99-D105 WeakPolarHBondContact CE1-CB 3.4Å; H99-D105 PolarHBondContact N-O 3Å; H99-D105 PolarHBondContact ND1-O 2.9Å; H99-D105 PolarHBondContact O-N 3.37Å |
| 106 | E | 87.2 | Confident | 89 | Confident | 80 Ų | 80 | 61.1 Ų | 61.1 | 37% | 0.374 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 140.8 | 169.2 | -164.7 | 148.4 | -117.5 | 0 | 0 | 110.2 | Y98 H99 L108 | Y98-E106 HydrophobicContact CD1-CB 4.18Å; Y98-E106 HydrophobicContact CD1-CG 4.44Å; Y98-E106 HydrophobicContact CE1-CB 3.91Å; Y98-E106 HydrophobicContact CE1-CG 3.9Å; Y98-E106 WeakPolarHBondContact CE1-OE1 3.31Å; Y98-E106 PolarHBondContact OH-OE1 3.3Å; H99-E106 PolarHBondContact CE1-O 2.88Å; H99-E106 VanDerWaalsContact CE1-O 3.32Å; E106-L108 HydrophobicContact CB-CD2 4.33Å; E106-L108 HydrophobicContact CG-CD2 4.28Å |
| 107 | I | 86.6 | Confident | 89.1 | Confident | 66 Ų | 66 | 63.2 Ų | 63.2 | 34% | 0.338 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 128.6 | 166.8 | -60.6 | 174.7 | 0 | 0 | 0 | 105.9 | G97 H99 E109 | G97-I107 PolarHBondContact O-N 3.4Å; H99-I107 HydrophobicContact CB-CG1 4.26Å; I107-E109 VanDerWaalsContact O-OE2 3.09Å |
| 108 | L | 86.9 | Confident | 89.2 | Confident | 96 Ų | 96 | 71 Ų | 71 | 50% | 0.503 | 38% | 0.383 | S | S | . | . | trans | -108.1 | 83.5 | 179.7 | -55 | 178.3 | 0 | 0 | 0 | 109.2 | E106 C110 A111 D123 | E106-L108 HydrophobicContact CB-CD2 4.33Å; E106-L108 HydrophobicContact CG-CD2 4.28Å; L108-C110 PolarHBondContact O-N 3.5Å; L108-A111 HydrophobicContact CB-CB 4.24Å; L108-A111 WeakPolarHBondContact O-CB 3.36Å; L108-A111 PolarHBondContact O-N 2.89Å; L108-D123 VanDerWaalsContact CA-OD1 3.31Å; L108-D123 WeakPolarHBondContact CA-OD1 3.27Å; L108-D123 WeakPolarHBondContact CA-OD2 3.41Å; L108-D123 WeakPolarHBondContact CD2-OD2 3.46Å | ||
| 109 | E | 88.2 | Confident | 89.2 | Confident | 43 Ų | 43 | 70.3 Ų | 70.3 | 20% | 0.201 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -52.6 | -37 | 179.4 | -78.1 | 83.6 | 163.2 | 0 | 0 | 112.3 | I107 A111 L112 D123 G127 F128 | I107-E109 VanDerWaalsContact O-OE2 3.09Å; E109-A111 PolarHBondContact O-N 2.79Å; E109-L112 PolarHBondContact O-N 3.32Å; E109-D123 PolarHBondContact N-OD1 2.78Å; E109-D123 VanDerWaalsContact N-OD1 3.16Å; E109-G127 PolarHBondContact OE1-N 2.97Å; E109-G127 VanDerWaalsContact OE1-N 3.14Å; E109-F128 HydrophobicContact CB-CB 4.15Å; E109-F128 HydrophobicContact CB-CD1 3.91Å; E109-F128 HydrophobicContact CB-CG 4.47Å; E109-F128 HydrophobicContact CG-CD1 4.31Å |
| 110 | C | 91.8 | Very high | 89.3 | Confident | 19 Ų | 19 | 70.2 Ų | 70.2 | 13% | 0.128 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -66.6 | -16.1 | 178.7 | -73.1 | 0 | 0 | 0 | 0 | 114 | L108 L112 N113 C121 I122 D123 | L108-C110 PolarHBondContact O-N 3.5Å; C110-L112 PolarHBondContact O-N 2.78Å; C110-L112 VanDerWaalsContact O-N 3.09Å; C110-N113 PolarHBondContact O-N 3.12Å; C110-C121 WeakPolarHBondContact CA-SG 3.2Å; C110-C121 HydrophobicContact CB-CB 3.76Å; C110-C121 WeakPolarHBondContact CB-SG 3.33Å; C110-C121 WeakPolarHBondContact SG-CB 3.4Å; C110-C121 CovalentContact SG-SG 2.03Å; C110-C121 PolarHBondContact SG-SG 3.44Å; C110-I122 PolarHBondContact SG-O 2.84Å; C110-D123 HydrophobicContact CB-CB 4.18Å; C110-D123 VanDerWaalsContact CB-OD1 3.24Å; C110-D123 WeakPolarHBondContact CB-OD1 3.49Å; C110-D123 PolarHBondContact N-OD1 3.44Å; C110-D123 PolarHBondContact SG-N 3.32Å |
| 111 | A | 87.4 | Confident | 89.5 | Confident | 74 Ų | 74 | 70.3 Ų | 70.3 | 61% | 0.612 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -62.7 | -16.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L108 E109 | L108-A111 HydrophobicContact CB-CB 4.24Å; L108-A111 WeakPolarHBondContact O-CB 3.36Å; L108-A111 PolarHBondContact O-N 2.89Å; E109-A111 PolarHBondContact O-N 2.79Å |
| 112 | L | 85.1 | Confident | 89.8 | Confident | 152 Ų | 152 | 67.6 Ų | 67.6 | 80% | 0.796 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -90.6 | -9.4 | 174.5 | -63 | 178.6 | 0 | 0 | 0 | 113.9 | E109 C110 | E109-L112 PolarHBondContact O-N 3.32Å; C110-L112 PolarHBondContact O-N 2.78Å; C110-L112 VanDerWaalsContact O-N 3.09Å |
| 113 | N | 87.8 | Confident | 89.7 | Confident | 125 Ų | 125 | 66.6 Ų | 66.6 | 67% | 0.668 | 36% | 0.364 | S | S | * | . | trans | 54.5 | 66.5 | -170.1 | -46.7 | -90.9 | 0 | 0 | 0 | 111.7 | C110 C115 | C110-N113 PolarHBondContact O-N 3.12Å; N113-C115 VanDerWaalsContact C-N 3.27Å; N113-C115 PolarHBondContact O-N 2.96Å | ||
| 114 | P | 91.2 | Very high | 89.5 | Confident | 22 Ų | 22 | 68.5 Ų | 68.5 | 14% | 0.143 | 37% | 0.374 | C | S | . | . | trans | -63.7 | -31.8 | 179.3 | 26.3 | -34 | 0 | 0 | 0 | 112.4 | K116 C121 F128 T140 | P114-K116 PolarHBondContact O-NZ 3.44Å; P114-C121 VanDerWaalsContact CD-SG 3.6Å; P114-C121 WeakPolarHBondContact CG-SG 3.32Å; P114-F128 HydrophobicContact CB-CD1 4.38Å; P114-F128 HydrophobicContact CB-CD2 4.09Å; P114-F128 HydrophobicContact CB-CE1 4.05Å; P114-F128 HydrophobicContact CB-CE2 3.75Å; P114-F128 HydrophobicContact CB-CG 4.4Å; P114-F128 HydrophobicContact CB-CZ 3.73Å; P114-F128 HydrophobicContact CG-CB 4.42Å; P114-F128 HydrophobicContact CG-CD1 4.06Å; P114-F128 HydrophobicContact CG-CD2 3.63Å; P114-F128 HydrophobicContact CG-CE1 4.24Å; P114-F128 HydrophobicContact CG-CE2 3.84Å; P114-F128 HydrophobicContact CG-CG 3.76Å; P114-F128 HydrophobicContact CG-CZ 4.14Å; P114-T140 HydrophobicContact CB-CG2 4.43Å; P114-T140 WeakPolarHBondContact O-CB 3.41Å | ||
| 115 | C | 94.4 | Very high | 89.3 | Confident | 20 Ų | 20 | 69 Ų | 69 | 14% | 0.135 | 38% | 0.377 | C | S | . | . | trans | -66.5 | 152.7 | -176.7 | -44.6 | 0 | 0 | 0 | 0 | 114 | N113 G119 C121 C130 T140 | N113-C115 VanDerWaalsContact C-N 3.27Å; N113-C115 PolarHBondContact O-N 2.96Å; C115-G119 VanDerWaalsContact CB-O 3.3Å; C115-G119 WeakPolarHBondContact CB-O 3.41Å; C115-C121 VanDerWaalsContact SG-CA 3.53Å; C115-C121 WeakPolarHBondContact SG-CB 3.02Å; C115-C130 WeakPolarHBondContact CA-SG 3.28Å; C115-C130 HydrophobicContact CB-CB 3.78Å; C115-C130 WeakPolarHBondContact CB-SG 3.44Å; C115-C130 VanDerWaalsContact SG-CA 3.51Å; C115-C130 WeakPolarHBondContact SG-CB 3.39Å; C115-C130 CovalentContact SG-SG 2.03Å; C115-C130 PolarHBondContact SG-SG 3.17Å; C115-T140 CarbonylContact C-O 3.36Å; C115-T140 WeakPolarHBondContact CA-O 3.35Å | ||
| 116 | K | 91.7 | Very high | 89.1 | Confident | 96 Ų | 96 | 67.2 Ų | 67.2 | 42% | 0.417 | 37% | 0.368 | S | S | . | . | trans | -113.9 | 172.2 | 178.3 | -56.6 | -65 | 172.6 | -70.2 | 0 | 109.6 | P114 D118 G119 T140 E142 | P114-K116 PolarHBondContact O-NZ 3.44Å; K116-D118 PolarHBondContact O-N 2.03Å; K116-G119 PolarHBondContact O-N 3.42Å; K116-T140 WeakPolarHBondContact CB-O 3.37Å; K116-T140 PolarHBondContact N-O 2.91Å; K116-E142 HydrophobicContact CG-CB 4.34Å | ||
| 117 | H | 89.1 | Confident | 89.1 | Confident | 81 Ų | 81 | 64.3 Ų | 64.3 | 38% | 0.375 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 34.1 | 175.9 | -55.6 | 117 | 0 | 0 | 0 | 114.9 | G119 P133 Y136 C141 E142 | H117-G119 PolarHBondContact O-N 2.92Å; H117-P133 HydrophobicContact CB-CG 4.48Å; H117-P133 WeakPolarHBondContact O-CG 3.31Å; H117-Y136 HydrophobicContact CB-CD1 4.13Å; H117-Y136 HydrophobicContact CB-CD2 3.94Å; H117-Y136 HydrophobicContact CB-CE1 4.12Å; H117-Y136 HydrophobicContact CB-CE2 3.89Å; H117-Y136 HydrophobicContact CB-CG 4.06Å; H117-Y136 AromaticContact CD2-CE1 3.78Å; H117-Y136 AromaticContact CD2-CZ 3.87Å; H117-Y136 AromaticContact CE1-CD1 3.9Å; H117-Y136 AromaticContact CE1-CE1 3.62Å; H117-Y136 AromaticContact CG-CD1 3.72Å; H117-Y136 AromaticContact CG-CE1 3.49Å; H117-Y136 VanDerWaalsContact CG-CE1 3.49Å; H117-Y136 AromaticContact CG-CZ 3.71Å; H117-Y136 AromaticContact ND1-CD1 3.35Å; H117-Y136 VanDerWaalsContact ND1-CD1 3.35Å; H117-Y136 WeakPolarHBondContact ND1-CD1 3.46Å; H117-Y136 AromaticContact ND1-CE1 3.39Å; H117-Y136 WeakPolarHBondContact ND1-CE1 3.13Å; H117-Y136 AromaticContact NE2-CE1 3.91Å; H117-C141 PolarHBondContact ND1-O 2.81Å; H117-E142 PolarHBondContact CE1-O 3.21Å |
| 118 | D | 88.8 | Confident | 89.4 | Confident | 166 Ų | 166 | 63.6 Ų | 63.6 | 89% | 0.888 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 22 | -174.2 | -63.4 | -31.5 | 0 | 0 | 0 | 115.3 | K116 | K116-D118 PolarHBondContact O-N 2.03Š|
| 119 | G | 91.5 | Very high | 89.7 | Confident | 13 Ų | 13 | 60.1 Ų | 60.1 | 13% | 0.134 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 143.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | C115 K116 H117 V131 | C115-G119 VanDerWaalsContact CB-O 3.3Å; C115-G119 WeakPolarHBondContact CB-O 3.41Å; K116-G119 PolarHBondContact O-N 3.42Å; H117-G119 PolarHBondContact O-N 2.92Å; G119-V131 CarbonylContact C-O 3.35Å; G119-V131 WeakPolarHBondContact CA-O 3.27Å |
| 120 | T | 92.8 | Very high | 90 | Very high | 92 Ų | 92 | 58.7 Ų | 58.7 | 56% | 0.564 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 120.6 | -173.1 | -64.1 | 0 | 0 | 0 | 0 | 111 | C130 V131 | T120-C130 WeakPolarHBondContact O-CA 3.29Å; T120-V131 PolarHBondContact N-O 3.36Å; T120-V131 PolarHBondContact O-N 3.17Å |
| 121 | C | 94.2 | Very high | 90.1 | Very high | 37 Ų | 37 | 60.2 Ų | 60.2 | 25% | 0.25 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 126.3 | 177.5 | -159.9 | 0 | 0 | 0 | 0 | 111.3 | C110 P114 C115 Q129 | C110-C121 WeakPolarHBondContact CA-SG 3.2Å; C110-C121 HydrophobicContact CB-CB 3.76Å; C110-C121 WeakPolarHBondContact CB-SG 3.33Å; C110-C121 WeakPolarHBondContact SG-CB 3.4Å; C110-C121 CovalentContact SG-SG 2.03Å; C110-C121 PolarHBondContact SG-SG 3.44Å; P114-C121 VanDerWaalsContact CD-SG 3.6Å; P114-C121 WeakPolarHBondContact CG-SG 3.32Å; C115-C121 VanDerWaalsContact SG-CA 3.53Å; C115-C121 WeakPolarHBondContact SG-CB 3.02Å; C121-Q129 WeakPolarHBondContact CA-O 3.45Å |
| 122 | I | 91.1 | Very high | 90.4 | Very high | 26 Ų | 26 | 58.5 Ų | 58.5 | 13% | 0.133 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 128.5 | 169.1 | -53.2 | 152 | 0 | 0 | 0 | 108 | C110 L124 F128 Q129 V131 E2082 | C110-I122 PolarHBondContact SG-O 2.84Å; I122-L124 HydrophobicContact CG2-CD2 4.39Å; I122-F128 CarbonylContact O-C 3.24Å; I122-F128 WeakPolarHBondContact O-CA 3.19Å; I122-Q129 HydrophobicContact CB-CB 4.17Å; I122-Q129 HydrophobicContact CD1-CB 4.32Å; I122-Q129 HydrophobicContact CD1-CG 4.33Å; I122-Q129 VanDerWaalsContact CD1-OE1 3.24Å; I122-Q129 PolarHBondContact N-O 2.84Å; I122-Q129 PolarHBondContact O-N 2.97Å; I122-V131 HydrophobicContact CD1-CG2 3.46Å; I122-V131 VanDerWaalsContact CD1-CG2 3.46Å; I122-V131 HydrophobicContact CG1-CG2 4.44Å; I122-E2082 HydrophobicContact CD1-CB 3.71Å; I122-E2082 HydrophobicContact CD1-CG 3.72Å; I122-E2082 VanDerWaalsContact CD1-OE2 3.27Å; I122-E2082 WeakPolarHBondContact CD1-OE2 3.45Å; I122-E2082 HydrophobicContact CG2-CG 4.41Å |
| 123 | D | 87.9 | Confident | 90.6 | Very high | 52 Ų | 52 | 53.4 Ų | 53.4 | 28% | 0.278 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 132 | -173.7 | -152.1 | 81.9 | 0 | 0 | 0 | 109.6 | L108 E109 C110 | L108-D123 VanDerWaalsContact CA-OD1 3.31Å; L108-D123 WeakPolarHBondContact CA-OD1 3.27Å; L108-D123 WeakPolarHBondContact CA-OD2 3.41Å; L108-D123 WeakPolarHBondContact CD2-OD2 3.46Å; E109-D123 PolarHBondContact N-OD1 2.78Å; E109-D123 VanDerWaalsContact N-OD1 3.16Å; C110-D123 HydrophobicContact CB-CB 4.18Å; C110-D123 VanDerWaalsContact CB-OD1 3.24Å; C110-D123 WeakPolarHBondContact CB-OD1 3.49Å; C110-D123 PolarHBondContact N-OD1 3.44Å; C110-D123 PolarHBondContact SG-N 3.32Å |
| 124 | L | 87.7 | Confident | 90.7 | Very high | 39 Ų | 39 | 54.2 Ų | 54.2 | 20% | 0.204 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 151.9 | -174.5 | -53.7 | 175 | 0 | 0 | 0 | 110.4 | I122 N126 G127 Q129 G2080 Q2081 | I122-L124 HydrophobicContact CG2-CD2 4.39Å; L124-N126 PolarHBondContact O-N 2.86Å; L124-G127 WeakPolarHBondContact CB-O 3.14Å; L124-G127 PolarHBondContact N-O 3.16Å; L124-G127 PolarHBondContact O-N 3.42Å; L124-Q129 HydrophobicContact CD1-CB 4.34Å; L124-G2080 WeakPolarHBondContact CD2-O 3.46Å; L124-Q2081 HydrophobicContact CD1-CG 3.86Å |
| 125 | I | 85.1 | Confident | 90.6 | Very high | 66 Ų | 66 | 53.4 Ų | 53.4 | 34% | 0.338 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 100.3 | 176.7 | -53.4 | 173.9 | 0 | 0 | 0 | 110 | Y98 R2079 | Y98-I125 HydrophobicContact CD2-CG2 4.49Å; Y98-I125 HydrophobicContact CE2-CG2 3.5Å; Y98-I125 WeakPolarHBondContact OH-CG2 3.15Å; I125-R2079 VanDerWaalsContact O-CZ 3.3Å; I125-R2079 PolarHBondContact O-NE 3.02Å |
| 126 | N | 85.3 | Confident | 90.6 | Very high | 46 Ų | 46 | 54.1 Ų | 54.1 | 25% | 0.246 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 51.3 | -170.9 | -160.3 | 91.8 | 0 | 0 | 0 | 113.8 | P96 G97 L124 | P96-N126 VanDerWaalsContact C-OD1 3.23Å; P96-N126 WeakPolarHBondContact CA-OD1 3.38Å; P96-N126 HydrophobicContact CB-CB 4.01Å; P96-N126 VanDerWaalsContact CB-CG 3.46Å; P96-N126 WeakPolarHBondContact CB-OD1 3.36Å; G97-N126 PolarHBondContact N-OD1 3.24Å; L124-N126 PolarHBondContact O-N 2.86Å |
| 127 | G | 87.6 | Confident | 90.6 | Very high | 20 Ų | 20 | 54.9 Ų | 54.9 | 21% | 0.206 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.9 | -168.4 | 171 | 0 | 0 | 0 | 0 | 0 | 113.3 | E109 L124 | E109-G127 PolarHBondContact OE1-N 2.97Å; E109-G127 VanDerWaalsContact OE1-N 3.14Å; L124-G127 WeakPolarHBondContact CB-O 3.14Å; L124-G127 PolarHBondContact N-O 3.16Å; L124-G127 PolarHBondContact O-N 3.42Å |
| 128 | F | 92.2 | Very high | 90.7 | Very high | 50 Ų | 50 | 52.6 Ų | 52.6 | 22% | 0.219 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 158.6 | 173.3 | 60.1 | -88.4 | 0 | 0 | 0 | 110.2 | E109 P114 I122 L139 T140 | E109-F128 HydrophobicContact CB-CB 4.15Å; E109-F128 HydrophobicContact CB-CD1 3.91Å; E109-F128 HydrophobicContact CB-CG 4.47Å; E109-F128 HydrophobicContact CG-CD1 4.31Å; P114-F128 HydrophobicContact CB-CD1 4.38Å; P114-F128 HydrophobicContact CB-CD2 4.09Å; P114-F128 HydrophobicContact CB-CE1 4.05Å; P114-F128 HydrophobicContact CB-CE2 3.75Å; P114-F128 HydrophobicContact CB-CG 4.4Å; P114-F128 HydrophobicContact CB-CZ 3.73Å; P114-F128 HydrophobicContact CG-CB 4.42Å; P114-F128 HydrophobicContact CG-CD1 4.06Å; P114-F128 HydrophobicContact CG-CD2 3.63Å; P114-F128 HydrophobicContact CG-CE1 4.24Å; P114-F128 HydrophobicContact CG-CE2 3.84Å; P114-F128 HydrophobicContact CG-CG 3.76Å; P114-F128 HydrophobicContact CG-CZ 4.14Å; I122-F128 CarbonylContact O-C 3.24Å; I122-F128 WeakPolarHBondContact O-CA 3.19Å; F128-L139 HydrophobicContact CE2-CG 4.38Å; F128-L139 HydrophobicContact CZ-CD2 4.47Å; F128-L139 HydrophobicContact CZ-CG 4.44Å; F128-T140 HydrophobicContact CE2-CG2 3.97Å; F128-T140 HydrophobicContact CZ-CG2 4Å |
| 129 | Q | 92.4 | Very high | 90.7 | Very high | 23 Ų | 23 | 50.6 Ų | 50.6 | 11% | 0.107 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 145.4 | 159.3 | -176.4 | 176.2 | 6.4 | 0 | 0 | 108.4 | C121 I122 L124 V131 Q2081 | C121-Q129 WeakPolarHBondContact CA-O 3.45Å; I122-Q129 HydrophobicContact CB-CB 4.17Å; I122-Q129 HydrophobicContact CD1-CB 4.32Å; I122-Q129 HydrophobicContact CD1-CG 4.33Å; I122-Q129 VanDerWaalsContact CD1-OE1 3.24Å; I122-Q129 PolarHBondContact N-O 2.84Å; I122-Q129 PolarHBondContact O-N 2.97Å; L124-Q129 HydrophobicContact CD1-CB 4.34Å; Q129-V131 HydrophobicContact CG-CG2 4.21Å; Q129-Q2081 HydrophobicContact CB-CG 3.93Å; Q129-Q2081 HydrophobicContact CG-CB 4.39Å; Q129-Q2081 VanDerWaalsContact CG-CD 3.45Å; Q129-Q2081 HydrophobicContact CG-CG 4.04Å; Q129-Q2081 VanDerWaalsContact OE1-CA 3.3Å |
| 130 | C | 95.2 | Very high | 90.8 | Very high | 14 Ų | 14 | 51.1 Ų | 51.1 | 10% | 0.095 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 115.3 | 157.3 | -67 | 0 | 0 | 0 | 0 | 108.3 | C115 T120 C132 C141 | C115-C130 WeakPolarHBondContact CA-SG 3.28Å; C115-C130 HydrophobicContact CB-CB 3.78Å; C115-C130 WeakPolarHBondContact CB-SG 3.44Å; C115-C130 VanDerWaalsContact SG-CA 3.51Å; C115-C130 WeakPolarHBondContact SG-CB 3.39Å; C115-C130 CovalentContact SG-SG 2.03Å; C115-C130 PolarHBondContact SG-SG 3.17Å; T120-C130 WeakPolarHBondContact O-CA 3.29Å; C130-C132 PolarHBondContact O-N 3.09Å; C130-C141 WeakPolarHBondContact CB-SG 3.04Å |
| 131 | V | 94.1 | Very high | 90.8 | Very high | 50 Ų | 50 | 46.7 Ų | 46.7 | 30% | 0.303 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 109.2 | 168.6 | 178.8 | 0 | 0 | 0 | 0 | 106.8 | G119 T120 I122 Q129 | G119-V131 CarbonylContact C-O 3.35Å; G119-V131 WeakPolarHBondContact CA-O 3.27Å; T120-V131 PolarHBondContact N-O 3.36Å; T120-V131 PolarHBondContact O-N 3.17Å; I122-V131 HydrophobicContact CD1-CG2 3.46Å; I122-V131 VanDerWaalsContact CD1-CG2 3.46Å; I122-V131 HydrophobicContact CG1-CG2 4.44Å; Q129-V131 HydrophobicContact CG-CG2 4.21Å |
| 132 | C | 93.8 | Very high | 90.8 | Very high | 39 Ų | 39 | 48.2 Ų | 48.2 | 26% | 0.264 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 147.6 | -173.2 | -54.9 | 0 | 0 | 0 | 0 | 112 | C130 Y136 C141 | C130-C132 PolarHBondContact O-N 3.09Å; C132-Y136 WeakPolarHBondContact CB-O 3.04Å; C132-C141 WeakPolarHBondContact CA-SG 3.24Å; C132-C141 HydrophobicContact CB-CB 3.69Å; C132-C141 WeakPolarHBondContact CB-SG 3.46Å; C132-C141 PolarHBondContact N-SG 3.18Å; C132-C141 WeakPolarHBondContact SG-CA 3.03Å; C132-C141 WeakPolarHBondContact SG-CB 3.3Å; C132-C141 CovalentContact SG-SG 2.04Å; C132-C141 PolarHBondContact SG-SG 2.79Å |
| 133 | P | 89.1 | Confident | 90.7 | Very high | 45 Ų | 45 | 49.5 Ų | 49.5 | 29% | 0.292 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 150.3 | 163.5 | -1.1 | 14.9 | 0 | 0 | 0 | 109.1 | H117 G135 Y136 | H117-P133 HydrophobicContact CB-CG 4.48Å; H117-P133 WeakPolarHBondContact O-CG 3.31Å; P133-G135 PolarHBondContact O-N 3.08Å; P133-Y136 HydrophobicContact CB-CD2 4.27Å; P133-Y136 HydrophobicContact CG-CD2 4.06Å; P133-Y136 PolarHBondContact O-N 3.33Å |
| 134 | L | 88.9 | Confident | 90.9 | Very high | 141 Ų | 141 | 48.1 Ų | 48.1 | 74% | 0.738 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | 128.3 | 168.1 | -67 | 179.4 | 0 | 0 | 0 | 109.9 | N164 | L134-N164 HydrophobicContact CB-CB 4.27Å; L134-N164 VanDerWaalsContact CB-OD1 3.31Å; L134-N164 WeakPolarHBondContact CB-OD1 3.42Å |
| 135 | G | 89.4 | Confident | 91.1 | Very high | 5 Ų | 5 | 48.4 Ų | 48.4 | 5% | 0.052 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.4 | -0.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116 | P133 V145 N164 | P133-G135 PolarHBondContact O-N 3.08Å; G135-V145 PolarHBondContact O-N 3.28Å; G135-N164 PolarHBondContact N-OD1 2.83Å; G135-N164 VanDerWaalsContact N-OD1 3.08Å |
| 136 | Y | 94.7 | Very high | 91.3 | Very high | 35 Ų | 35 | 47.8 Ų | 47.8 | 14% | 0.137 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 147.3 | 178.1 | -65.2 | -81.4 | 0 | 0 | 0 | 113.6 | H117 C132 P133 D143 E144 I163 | H117-Y136 HydrophobicContact CB-CD1 4.13Å; H117-Y136 HydrophobicContact CB-CD2 3.94Å; H117-Y136 HydrophobicContact CB-CE1 4.12Å; H117-Y136 HydrophobicContact CB-CE2 3.89Å; H117-Y136 HydrophobicContact CB-CG 4.06Å; H117-Y136 AromaticContact CD2-CE1 3.78Å; H117-Y136 AromaticContact CD2-CZ 3.87Å; H117-Y136 AromaticContact CE1-CD1 3.9Å; H117-Y136 AromaticContact CE1-CE1 3.62Å; H117-Y136 AromaticContact CG-CD1 3.72Å; H117-Y136 AromaticContact CG-CE1 3.49Å; H117-Y136 VanDerWaalsContact CG-CE1 3.49Å; H117-Y136 AromaticContact CG-CZ 3.71Å; H117-Y136 AromaticContact ND1-CD1 3.35Å; H117-Y136 VanDerWaalsContact ND1-CD1 3.35Å; H117-Y136 WeakPolarHBondContact ND1-CD1 3.46Å; H117-Y136 AromaticContact ND1-CE1 3.39Å; H117-Y136 WeakPolarHBondContact ND1-CE1 3.13Å; H117-Y136 AromaticContact NE2-CE1 3.91Å; C132-Y136 WeakPolarHBondContact CB-O 3.04Å; P133-Y136 HydrophobicContact CB-CD2 4.27Å; P133-Y136 HydrophobicContact CG-CD2 4.06Å; P133-Y136 PolarHBondContact O-N 3.33Å; Y136-D143 CarbonylContact C-O 3.59Å; Y136-D143 WeakPolarHBondContact CA-O 3.08Å; Y136-D143 WeakPolarHBondContact CD1-O 3.48Å; Y136-E144 HydrophobicContact CD1-CB 4.46Å; Y136-E144 HydrophobicContact CE1-CB 4.24Å; Y136-I163 HydrophobicContact CE2-CG2 3.8Å |
| 137 | E | 91.5 | Very high | 91.5 | Very high | 113 Ų | 113 | 47.1 Ų | 47.1 | 53% | 0.528 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | -172.6 | 174.5 | 70 | 176.8 | 172 | 0 | 0 | 112 | C141 E142 D143 V145 | E137-C141 CarbonylContact O-C 3.29Å; E137-C141 VanDerWaalsContact O-C 3.26Å; E137-C141 WeakPolarHBondContact O-CA 3.21Å; E137-E142 PolarHBondContact O-N 3.09Å; E137-D143 HydrophobicContact CG-CB 4.02Å; E137-D143 PolarHBondContact N-O 3.17Å; E137-D143 PolarHBondContact O-N 2.04Å; E137-V145 HydrophobicContact CB-CG2 3.9Å; E137-V145 HydrophobicContact CG-CG2 3.82Å |
| 138 | G | 91.2 | Very high | 91.8 | Very high | 33 Ų | 33 | 47.2 Ų | 47.2 | 34% | 0.34 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 94 | 161 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T140 C141 | G138-T140 PolarHBondContact O-N 3.17Å; G138-C141 PolarHBondContact O-N 3.07Å |
| 139 | L | 88.9 | Confident | 91.7 | Very high | 124 Ų | 124 | 49.2 Ų | 49.2 | 65% | 0.649 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -29.7 | -171.8 | -174.8 | 69.7 | 0 | 0 | 0 | 113 | F128 E142 | F128-L139 HydrophobicContact CE2-CG 4.38Å; F128-L139 HydrophobicContact CZ-CD2 4.47Å; F128-L139 HydrophobicContact CZ-CG 4.44Å; L139-E142 PolarHBondContact N-OE2 3.1Å |
| 140 | T | 93.2 | Very high | 91.5 | Very high | 23 Ų | 23 | 52 Ų | 52 | 14% | 0.141 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 14.1 | 174.4 | 70.7 | 0 | 0 | 0 | 0 | 113.1 | P114 C115 K116 F128 G138 E142 | P114-T140 HydrophobicContact CB-CG2 4.43Å; P114-T140 WeakPolarHBondContact O-CB 3.41Å; C115-T140 CarbonylContact C-O 3.36Å; C115-T140 WeakPolarHBondContact CA-O 3.35Å; K116-T140 WeakPolarHBondContact CB-O 3.37Å; K116-T140 PolarHBondContact N-O 2.91Å; F128-T140 HydrophobicContact CE2-CG2 3.97Å; F128-T140 HydrophobicContact CZ-CG2 4Å; G138-T140 PolarHBondContact O-N 3.17Å; T140-E142 WeakPolarHBondContact CA-OE2 3.47Å; T140-E142 WeakPolarHBondContact CB-OE2 3.23Å; T140-E142 PolarHBondContact N-OE2 2.75Å; T140-E142 PolarHBondContact O-N 2.82Å; T140-E142 PolarHBondContact OG1-OE1 2.01Å; T140-E142 PolarHBondContact OG1-OE2 3.36Å |
| 141 | C | 94.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 31% | 0.308 | C | S | . | . | S | Bend | trans | 60 | 32.6 | -171.9 | -47.1 | 0 | 0 | 0 | 0 | 113.3 | H117 C130 C132 E137 G138 | H117-C141 PolarHBondContact ND1-O 2.81Å; C130-C141 WeakPolarHBondContact CB-SG 3.04Å; C132-C141 WeakPolarHBondContact CA-SG 3.24Å; C132-C141 HydrophobicContact CB-CB 3.69Å; C132-C141 WeakPolarHBondContact CB-SG 3.46Å; C132-C141 PolarHBondContact N-SG 3.18Å; C132-C141 WeakPolarHBondContact SG-CA 3.03Å; C132-C141 WeakPolarHBondContact SG-CB 3.3Å; C132-C141 CovalentContact SG-SG 2.04Å; C132-C141 PolarHBondContact SG-SG 2.79Å; E137-C141 CarbonylContact O-C 3.29Å; E137-C141 VanDerWaalsContact O-C 3.26Å; E137-C141 WeakPolarHBondContact O-CA 3.21Å; G138-C141 PolarHBondContact O-N 3.07Å |
| 142 | E | 92.4 | Very high | 91.2 | Very high | 68 Ų | 68 | 51.1 Ų | 51.1 | 32% | 0.318 | 30% | 0.297 | S | S | . | . | trans | -73.6 | -29.4 | 179.9 | 59.3 | -94.3 | -117.2 | 0 | 0 | 113.5 | K116 H117 E137 L139 T140 I700 | K116-E142 HydrophobicContact CG-CB 4.34Å; H117-E142 PolarHBondContact CE1-O 3.21Å; E137-E142 PolarHBondContact O-N 3.09Å; L139-E142 PolarHBondContact N-OE2 3.1Å; T140-E142 WeakPolarHBondContact CA-OE2 3.47Å; T140-E142 WeakPolarHBondContact CB-OE2 3.23Å; T140-E142 PolarHBondContact N-OE2 2.75Å; T140-E142 PolarHBondContact O-N 2.82Å; T140-E142 PolarHBondContact OG1-OE1 2.01Å; T140-E142 PolarHBondContact OG1-OE2 3.36Å; E142-I700 WeakPolarHBondContact O-CD1 3.04Å | ||
| 143 | D | 90.8 | Very high | 91.2 | Very high | 54 Ų | 54 | 49.8 Ų | 49.8 | 29% | 0.289 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 134 | -168.9 | -63.1 | -57.9 | 0 | 0 | 0 | 112.1 | Y136 E137 I700 | Y136-D143 CarbonylContact C-O 3.59Å; Y136-D143 WeakPolarHBondContact CA-O 3.08Å; Y136-D143 WeakPolarHBondContact CD1-O 3.48Å; E137-D143 HydrophobicContact CG-CB 4.02Å; E137-D143 PolarHBondContact N-O 3.17Å; E137-D143 PolarHBondContact O-N 2.04Å; D143-I700 HydrophobicContact CB-CG1 4.38Å; D143-I700 WeakPolarHBondContact OD1-CD1 3.42Å |
| 144 | E | 90.8 | Very high | 91.3 | Very high | 22 Ų | 22 | 51.4 Ų | 51.4 | 10% | 0.103 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 129.1 | 169.5 | -178.8 | 177.4 | -128.3 | 0 | 0 | 109.1 | Y136 N146 I163 I700 F702 | Y136-E144 HydrophobicContact CD1-CB 4.46Å; Y136-E144 HydrophobicContact CE1-CB 4.24Å; E144-N146 PolarHBondContact O-N 2.77Å; E144-I163 VanDerWaalsContact OE1-CG1 3.32Å; E144-I163 WeakPolarHBondContact OE1-CG1 3.45Å; E144-I700 HydrophobicContact CB-CG2 3.88Å; E144-F702 WeakPolarHBondContact OE1-CE1 3.2Å |
| 145 | V | 91.6 | Very high | 91.2 | Very high | 46 Ų | 46 | 48.1 Ų | 48.1 | 28% | 0.279 | 27% | 0.274 | S | S | . | . | trans | -75.4 | 113.9 | 174.3 | 177 | 0 | 0 | 0 | 0 | 108.4 | G135 E137 E147 | G135-V145 PolarHBondContact O-N 3.28Å; E137-V145 HydrophobicContact CB-CG2 3.9Å; E137-V145 HydrophobicContact CG-CG2 3.82Å; V145-E147 PolarHBondContact O-N 3.03Å | ||
| 146 | N | 89.4 | Confident | 91 | Very high | 53 Ų | 53 | 50.1 Ų | 50.1 | 28% | 0.283 | 29% | 0.294 | S | S | . | . | trans | -83.4 | 94.5 | 176 | 179.5 | -91.3 | 0 | 0 | 0 | 109.8 | E144 C148 S149 D161 | E144-N146 PolarHBondContact O-N 2.77Å; N146-C148 PolarHBondContact O-N 2.91Å; N146-S149 VanDerWaalsContact O-CB 3.31Å; N146-S149 WeakPolarHBondContact O-CB 2.78Å; N146-S149 PolarHBondContact O-N 2.9Å; N146-S149 VanDerWaalsContact O-N 3.15Å; N146-S149 PolarHBondContact O-OG 3.48Å; N146-S149 WeakPolarHBondContact OD1-CB 3.03Å; N146-S149 PolarHBondContact OD1-N 3.26Å; N146-D161 VanDerWaalsContact CA-OD1 3.3Å; N146-D161 WeakPolarHBondContact CA-OD1 3.11Å; N146-D161 WeakPolarHBondContact CA-OD2 3.49Å; N146-D161 VanDerWaalsContact CG-OD1 3.22Å; N146-D161 PolarHBondContact ND2-OD1 3.32Å; N146-D161 PolarHBondContact ND2-OD2 3.44Å | ||
| 147 | E | 90.8 | Very high | 90.7 | Very high | 32 Ų | 32 | 49 Ų | 49 | 15% | 0.15 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -60.5 | -29.7 | 179.5 | -67.4 | 83 | 178.5 | 0 | 0 | 112.4 | V145 S149 S150 D161 N164 N165 Y166 | V145-E147 PolarHBondContact O-N 3.03Å; E147-S149 PolarHBondContact O-N 3.15Å; E147-S150 WeakPolarHBondContact O-CB 3.39Å; E147-S150 PolarHBondContact O-N 3.08Å; E147-S150 VanDerWaalsContact O-N 3.14Å; E147-S150 PolarHBondContact O-OG 2.86Å; E147-D161 PolarHBondContact N-OD1 3.17Å; E147-D161 VanDerWaalsContact N-OD1 3.13Å; E147-N164 WeakPolarHBondContact OE1-CA 3.34Å; E147-N164 PolarHBondContact OE1-N 2.78Å; E147-N165 PolarHBondContact OE1-N 3.17Å; E147-N165 VanDerWaalsContact OE1-N 3.15Å; E147-Y166 HydrophobicContact CB-CD1 3.69Å; E147-Y166 HydrophobicContact CB-CG 4.37Å; E147-Y166 HydrophobicContact CG-CD1 4.17Å |
| 148 | C | 92.5 | Very high | 90.8 | Very high | 21 Ų | 21 | 47.9 Ų | 47.9 | 14% | 0.142 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -62 | -23.5 | 178.4 | -73.8 | 0 | 0 | 0 | 0 | 113.8 | N146 S150 S151 C159 D161 | N146-C148 PolarHBondContact O-N 2.91Å; C148-S150 PolarHBondContact O-N 3.14Å; C148-S151 PolarHBondContact O-N 3.36Å; C148-C159 WeakPolarHBondContact CA-SG 3.36Å; C148-C159 HydrophobicContact CB-CB 3.76Å; C148-C159 WeakPolarHBondContact CB-SG 3.46Å; C148-C159 VanDerWaalsContact SG-C 3.51Å; C148-C159 WeakPolarHBondContact SG-CB 3.4Å; C148-C159 CovalentContact SG-SG 2.04Å; C148-C159 PolarHBondContact SG-SG 3.19Å; C148-D161 HydrophobicContact CB-CB 4.44Å; C148-D161 WeakPolarHBondContact CB-OD1 3.2Å; C148-D161 PolarHBondContact N-OD1 3.15Å; C148-D161 VanDerWaalsContact N-OD1 3.12Å |
| 149 | S | 90.9 | Very high | 91 | Very high | 92 Ų | 92 | 48.1 Ų | 48.1 | 64% | 0.643 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -57.4 | -29.6 | 174.7 | 67.1 | 0 | 0 | 0 | 0 | 112.9 | N146 E147 S151 | N146-S149 VanDerWaalsContact O-CB 3.31Å; N146-S149 WeakPolarHBondContact O-CB 2.78Å; N146-S149 PolarHBondContact O-N 2.9Å; N146-S149 VanDerWaalsContact O-N 3.15Å; N146-S149 PolarHBondContact O-OG 3.48Å; N146-S149 WeakPolarHBondContact OD1-CB 3.03Å; N146-S149 PolarHBondContact OD1-N 3.26Å; E147-S149 PolarHBondContact O-N 3.15Å; S149-S151 PolarHBondContact O-N 2.94Å |
| 150 | S | 87.7 | Confident | 91.1 | Very high | 83 Ų | 83 | 44 Ų | 44 | 58% | 0.58 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -73.3 | -4.7 | 176.3 | 71.9 | 0 | 0 | 0 | 0 | 114.1 | E147 C148 P152 | E147-S150 WeakPolarHBondContact O-CB 3.39Å; E147-S150 PolarHBondContact O-N 3.08Å; E147-S150 VanDerWaalsContact O-N 3.14Å; E147-S150 PolarHBondContact O-OG 2.86Å; C148-S150 PolarHBondContact O-N 3.14Å; S150-P152 WeakPolarHBondContact OG-CD 3.41Å |
| 151 | S | 90.3 | Very high | 91 | Very high | 35 Ų | 35 | 43.4 Ų | 43.4 | 25% | 0.245 | 26% | 0.256 | C | S | . | . | trans | 50.3 | 57 | -169.9 | -55.5 | 0 | 0 | 0 | 0 | 112.1 | C148 S149 C153 K154 S1931 | C148-S151 PolarHBondContact O-N 3.36Å; S149-S151 PolarHBondContact O-N 2.94Å; S151-C153 VanDerWaalsContact C-N 3.32Å; S151-C153 PolarHBondContact O-N 2.65Å; S151-K154 PolarHBondContact O-NZ 2.86Å; S151-S1931 PolarHBondContact OG-OG 2.58Å | ||
| 152 | P | 92.4 | Very high | 90.8 | Very high | 10 Ų | 10 | 45.7 Ų | 45.7 | 7% | 0.065 | 27% | 0.268 | C | S | . | . | trans | -68.8 | -33.6 | -173.3 | 29 | -33.4 | 0 | 0 | 0 | 111.3 | S150 K154 Y166 H178 | S150-P152 WeakPolarHBondContact OG-CD 3.41Å; P152-K154 VanDerWaalsContact O-CE 3.27Å; P152-K154 WeakPolarHBondContact O-CE 3.21Å; P152-Y166 HydrophobicContact CB-CD1 4.49Å; P152-Y166 HydrophobicContact CB-CD2 4.09Å; P152-Y166 HydrophobicContact CB-CE1 4.3Å; P152-Y166 HydrophobicContact CB-CE2 3.86Å; P152-Y166 HydrophobicContact CB-CG 4.42Å; P152-Y166 HydrophobicContact CG-CD1 4.25Å; P152-Y166 HydrophobicContact CG-CD2 3.8Å; P152-Y166 HydrophobicContact CG-CE2 4.12Å; P152-Y166 HydrophobicContact CG-CG 3.9Å; P152-H178 WeakPolarHBondContact O-CB 3.03Å; P152-H178 PolarHBondContact O-ND1 3.43Å | ||
| 153 | C | 94.4 | Very high | 90.5 | Very high | 10 Ų | 10 | 45.8 Ų | 45.8 | 7% | 0.068 | 27% | 0.27 | C | S | . | . | trans | -72.1 | 144 | 176 | -48.4 | 0 | 0 | 0 | 0 | 111.7 | S151 A157 C159 C168 | S151-C153 VanDerWaalsContact C-N 3.32Å; S151-C153 PolarHBondContact O-N 2.65Å; C153-A157 HydrophobicContact CB-CB 4.17Å; C153-A157 WeakPolarHBondContact CB-O 3.42Å; C153-C159 HydrophobicContact CB-CB 4.46Å; C153-C159 WeakPolarHBondContact SG-CB 3.38Å; C153-C159 VanDerWaalsContact SG-SG 3.63Å; C153-C168 WeakPolarHBondContact CA-SG 3.27Å; C153-C168 HydrophobicContact CB-CB 3.76Å; C153-C168 WeakPolarHBondContact CB-SG 3.42Å; C153-C168 WeakPolarHBondContact SG-CA 3.07Å; C153-C168 WeakPolarHBondContact SG-CB 3.34Å; C153-C168 CovalentContact SG-SG 2.03Å; C153-C168 PolarHBondContact SG-SG 3.04Å | ||
| 154 | K | 91.6 | Very high | 90.3 | Very high | 80 Ų | 80 | 46.9 Ų | 46.9 | 35% | 0.348 | 28% | 0.276 | S | S | . | . | trans | -113.9 | 171.5 | -178.1 | -52.6 | -54.9 | 166.6 | -155.7 | 0 | 110.8 | S151 P152 G156 A157 H178 | S151-K154 PolarHBondContact O-NZ 2.86Å; P152-K154 VanDerWaalsContact O-CE 3.27Å; P152-K154 WeakPolarHBondContact O-CE 3.21Å; K154-G156 VanDerWaalsContact C-N 3.25Å; K154-G156 PolarHBondContact O-N 3.18Å; K154-A157 VanDerWaalsContact O-CB 3.28Å; K154-A157 WeakPolarHBondContact O-CB 3.21Å; K154-A157 PolarHBondContact O-N 2.89Å; K154-H178 HydrophobicContact CG-CB 4.25Å; K154-H178 PolarHBondContact N-O 3.08Å | ||
| 155 | N | 86.4 | Confident | 90.3 | Very high | 72 Ų | 72 | 49.7 Ų | 49.7 | 39% | 0.385 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | 34.7 | 172.7 | -52.5 | -50.1 | 0 | 0 | 0 | 114.5 | A157 W174 C179 | N155-A157 PolarHBondContact O-N 3.44Å; N155-W174 HydrophobicContact CB-CD2 3.74Å; N155-W174 HydrophobicContact CB-CE3 4.07Å; N155-W174 HydrophobicContact CB-CG 4.16Å; N155-W174 HydrophobicContact CB-CH2 4.31Å; N155-W174 HydrophobicContact CB-CZ2 3.99Å; N155-W174 HydrophobicContact CB-CZ3 4.35Å; N155-W174 WeakPolarHBondContact ND2-CZ3 3.24Å; N155-C179 PolarHBondContact ND2-O 3.11Å |
| 156 | G | 84.6 | Confident | 90.4 | Very high | 46 Ų | 46 | 49.4 Ų | 49.4 | 47% | 0.474 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70 | 13.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | K154 | K154-G156 VanDerWaalsContact C-N 3.25Å; K154-G156 PolarHBondContact O-N 3.18Å |
| 157 | A | 89.9 | Confident | 90.5 | Very high | 12 Ų | 12 | 49.5 Ų | 49.5 | 10% | 0.099 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 133.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | C153 K154 N155 C179 | C153-A157 HydrophobicContact CB-CB 4.17Å; C153-A157 WeakPolarHBondContact CB-O 3.42Å; K154-A157 VanDerWaalsContact O-CB 3.28Å; K154-A157 WeakPolarHBondContact O-CB 3.21Å; K154-A157 PolarHBondContact O-N 2.89Å; N155-A157 PolarHBondContact O-N 3.44Å; A157-C179 HydrophobicContact CB-CB 3.57Å; A157-C179 WeakPolarHBondContact CB-SG 3.44Å |
| 158 | Q | 92.4 | Very high | 90.7 | Very high | 90 Ų | 90 | 48.8 Ų | 48.8 | 42% | 0.421 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 129.3 | -177.5 | 180 | -177.7 | -14.3 | 0 | 0 | 110.5 | H169 D706 | Q158-H169 HydrophobicContact CB-CB 4.34Å; Q158-H169 PolarHBondContact N-O 3.43Å; Q158-H169 PolarHBondContact O-N 2.91Å; Q158-D706 PolarHBondContact NE2-OD1 3.07Å; Q158-D706 PolarHBondContact NE2-OD2 2.93Å |
| 159 | C | 94.9 | Very high | 90.7 | Very high | 38 Ų | 38 | 51.5 Ų | 51.5 | 26% | 0.257 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 129.6 | 177 | -165.9 | 0 | 0 | 0 | 0 | 110.9 | C148 C153 | C148-C159 WeakPolarHBondContact CA-SG 3.36Å; C148-C159 HydrophobicContact CB-CB 3.76Å; C148-C159 WeakPolarHBondContact CB-SG 3.46Å; C148-C159 VanDerWaalsContact SG-C 3.51Å; C148-C159 WeakPolarHBondContact SG-CB 3.4Å; C148-C159 CovalentContact SG-SG 2.04Å; C148-C159 PolarHBondContact SG-SG 3.19Å; C153-C159 HydrophobicContact CB-CB 4.46Å; C153-C159 WeakPolarHBondContact SG-CB 3.38Å; C153-C159 VanDerWaalsContact SG-SG 3.63Å |
| 160 | E | 92.8 | Very high | 90.7 | Very high | 37 Ų | 37 | 49.3 Ų | 49.3 | 17% | 0.173 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 128.6 | 167.1 | -176 | 173.3 | -165.4 | 0 | 0 | 110.2 | Y166 T167 H169 T704 T705 | E160-Y166 CarbonylContact O-C 3.53Å; E160-Y166 VanDerWaalsContact O-CA 3.28Å; E160-Y166 WeakPolarHBondContact O-CA 3.25Å; E160-T167 PolarHBondContact N-O 3.49Å; E160-T167 PolarHBondContact O-N 3.48Å; E160-H169 IonicContact OE2-CD2 3.83Å; E160-H169 IonicContact OE2-CE1 2.73Å; E160-H169 IonicContact OE2-NE2 3.65Å; E160-H169 PolarHBondContact OE2-NE2 3.25Å; E160-T704 HydrophobicContact CG-CG2 4.14Å; E160-T704 PolarHBondContact OE1-OG1 3.26Å; E160-T705 HydrophobicContact CG-CG2 4.17Å; E160-T705 PolarHBondContact OE1-OG1 3.12Å |
| 161 | D | 90.9 | Very high | 90.6 | Very high | 11 Ų | 11 | 49.3 Ų | 49.3 | 6% | 0.059 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 136 | -171.7 | -152.9 | 63.6 | 0 | 0 | 0 | 110.7 | N146 E147 C148 T704 | N146-D161 VanDerWaalsContact CA-OD1 3.3Å; N146-D161 WeakPolarHBondContact CA-OD1 3.11Å; N146-D161 WeakPolarHBondContact CA-OD2 3.49Å; N146-D161 VanDerWaalsContact CG-OD1 3.22Å; N146-D161 PolarHBondContact ND2-OD1 3.32Å; N146-D161 PolarHBondContact ND2-OD2 3.44Å; E147-D161 PolarHBondContact N-OD1 3.17Å; E147-D161 VanDerWaalsContact N-OD1 3.13Å; C148-D161 HydrophobicContact CB-CB 4.44Å; C148-D161 WeakPolarHBondContact CB-OD1 3.2Å; C148-D161 PolarHBondContact N-OD1 3.15Å; C148-D161 VanDerWaalsContact N-OD1 3.12Å; D161-T704 HydrophobicContact CB-CG2 4.4Å |
| 162 | L | 88.4 | Confident | 90.2 | Very high | 47 Ų | 47 | 54 Ų | 54 | 25% | 0.246 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 151.8 | -177.6 | -56.4 | 168.6 | 0 | 0 | 0 | 109.7 | N164 N165 | L162-N164 PolarHBondContact O-N 3.03Å; L162-N165 CarbonylContact C-O 3.58Å; L162-N165 WeakPolarHBondContact CA-O 3.35Å; L162-N165 HydrophobicContact CB-CB 4.17Å; L162-N165 WeakPolarHBondContact CB-O 3.06Å; L162-N165 PolarHBondContact N-O 3.29Å; L162-N165 PolarHBondContact O-N 3Å |
| 163 | I | 87.7 | Confident | 89.4 | Confident | 71 Ų | 71 | 54.5 Ų | 54.5 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 111.8 | 179.1 | -58.1 | 163.7 | 0 | 0 | 0 | 110.6 | Y136 E144 N165 F702 | Y136-I163 HydrophobicContact CE2-CG2 3.8Å; E144-I163 VanDerWaalsContact OE1-CG1 3.32Å; E144-I163 WeakPolarHBondContact OE1-CG1 3.45Å; I163-N165 VanDerWaalsContact C-N 3.32Å; I163-N165 PolarHBondContact O-N 2.84Å; I163-F702 HydrophobicContact CD1-CE1 4.47Å |
| 164 | N | 86.7 | Confident | 89.1 | Confident | 77 Ų | 77 | 57.9 Ų | 57.9 | 41% | 0.412 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 28.8 | -175.4 | -159.8 | 75.9 | 0 | 0 | 0 | 115.2 | L134 G135 E147 L162 | L134-N164 HydrophobicContact CB-CB 4.27Å; L134-N164 VanDerWaalsContact CB-OD1 3.31Å; L134-N164 WeakPolarHBondContact CB-OD1 3.42Å; G135-N164 PolarHBondContact N-OD1 2.83Å; G135-N164 VanDerWaalsContact N-OD1 3.08Å; E147-N164 WeakPolarHBondContact OE1-CA 3.34Å; E147-N164 PolarHBondContact OE1-N 2.78Å; L162-N164 PolarHBondContact O-N 3.03Å |
| 165 | N | 90.2 | Very high | 88.8 | Confident | 80 Ų | 80 | 57.4 Ų | 57.4 | 43% | 0.428 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.5 | 167.9 | -179.7 | -163 | 26.9 | 0 | 0 | 0 | 112.4 | E147 L162 I163 | E147-N165 PolarHBondContact OE1-N 3.17Å; E147-N165 VanDerWaalsContact OE1-N 3.15Å; L162-N165 CarbonylContact C-O 3.58Å; L162-N165 WeakPolarHBondContact CA-O 3.35Å; L162-N165 HydrophobicContact CB-CB 4.17Å; L162-N165 WeakPolarHBondContact CB-O 3.06Å; L162-N165 PolarHBondContact N-O 3.29Å; L162-N165 PolarHBondContact O-N 3Å; I163-N165 VanDerWaalsContact C-N 3.32Å; I163-N165 PolarHBondContact O-N 2.84Å |
| 166 | Y | 92.6 | Very high | 88.8 | Confident | 41 Ų | 41 | 55.4 Ų | 55.4 | 16% | 0.161 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 160.3 | 169.2 | 54.2 | -83.4 | 0 | 0 | 0 | 110.3 | E147 P152 E160 H178 | E147-Y166 HydrophobicContact CB-CD1 3.69Å; E147-Y166 HydrophobicContact CB-CG 4.37Å; E147-Y166 HydrophobicContact CG-CD1 4.17Å; P152-Y166 HydrophobicContact CB-CD1 4.49Å; P152-Y166 HydrophobicContact CB-CD2 4.09Å; P152-Y166 HydrophobicContact CB-CE1 4.3Å; P152-Y166 HydrophobicContact CB-CE2 3.86Å; P152-Y166 HydrophobicContact CB-CG 4.42Å; P152-Y166 HydrophobicContact CG-CD1 4.25Å; P152-Y166 HydrophobicContact CG-CD2 3.8Å; P152-Y166 HydrophobicContact CG-CE2 4.12Å; P152-Y166 HydrophobicContact CG-CG 3.9Å; E160-Y166 CarbonylContact O-C 3.53Å; E160-Y166 VanDerWaalsContact O-CA 3.28Å; E160-Y166 WeakPolarHBondContact O-CA 3.25Å; Y166-H178 AromaticContact CZ-CE1 3.87Å; Y166-H178 PolarHBondContact OH-CE1 2.94Å |
| 167 | T | 91.5 | Very high | 88.9 | Confident | 55 Ų | 55 | 58.5 Ų | 58.5 | 34% | 0.337 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 121.9 | 170.2 | -63.7 | 0 | 0 | 0 | 0 | 109.2 | E160 | E160-T167 PolarHBondContact N-O 3.49Å; E160-T167 PolarHBondContact O-N 3.48Å |
| 168 | C | 95.8 | Very high | 89 | Confident | 16 Ų | 16 | 60.8 Ų | 60.8 | 11% | 0.108 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 113.3 | 173.4 | -63 | 0 | 0 | 0 | 0 | 110.3 | C153 C170 L177 C179 | C153-C168 WeakPolarHBondContact CA-SG 3.27Å; C153-C168 HydrophobicContact CB-CB 3.76Å; C153-C168 WeakPolarHBondContact CB-SG 3.42Å; C153-C168 WeakPolarHBondContact SG-CA 3.07Å; C153-C168 WeakPolarHBondContact SG-CB 3.34Å; C153-C168 CovalentContact SG-SG 2.03Å; C153-C168 PolarHBondContact SG-SG 3.04Å; C168-C170 PolarHBondContact O-N 2.99Å; C168-C170 VanDerWaalsContact O-N 3.13Å; C168-L177 WeakPolarHBondContact CB-O 2.8Å; C168-L177 PolarHBondContact SG-O 3.43Å; C168-L177 VanDerWaalsContact SG-O 3.39Å; C168-C179 WeakPolarHBondContact CB-SG 3.47Å |
| 169 | H | 93.4 | Very high | 89 | Confident | 79 Ų | 79 | 56.5 Ų | 56.5 | 37% | 0.366 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 90.6 | 175.1 | -67.1 | -69.2 | 0 | 0 | 0 | 109.5 | Q158 E160 L171 | Q158-H169 HydrophobicContact CB-CB 4.34Å; Q158-H169 PolarHBondContact N-O 3.43Å; Q158-H169 PolarHBondContact O-N 2.91Å; E160-H169 IonicContact OE2-CD2 3.83Å; E160-H169 IonicContact OE2-CE1 2.73Å; E160-H169 IonicContact OE2-NE2 3.65Å; E160-H169 PolarHBondContact OE2-NE2 3.25Å; H169-L171 PolarHBondContact O-N 3.24Å |
| 170 | C | 89.9 | Confident | 88.8 | Confident | 46 Ų | 46 | 58.5 Ų | 58.5 | 31% | 0.311 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 131.6 | -173.9 | -54 | 0 | 0 | 0 | 0 | 113 | C168 W174 C179 | C168-C170 PolarHBondContact O-N 2.99Å; C168-C170 VanDerWaalsContact O-N 3.13Å; C170-W174 HydrophobicContact CB-CB 4.25Å; C170-W174 VanDerWaalsContact CB-O 3.28Å; C170-W174 WeakPolarHBondContact CB-O 3.33Å; C170-C179 WeakPolarHBondContact CA-SG 3.11Å; C170-C179 HydrophobicContact CB-CB 3.7Å; C170-C179 WeakPolarHBondContact CB-SG 3.07Å; C170-C179 PolarHBondContact N-SG 3.06Å; C170-C179 VanDerWaalsContact N-SG 3.4Å; C170-C179 VanDerWaalsContact SG-CA 3.52Å; C170-C179 WeakPolarHBondContact SG-CB 3.37Å; C170-C179 CovalentContact SG-SG 2.03Å; C170-C179 PolarHBondContact SG-SG 3.18Å |
| 171 | L | 86.1 | Confident | 88.4 | Confident | 82 Ų | 82 | 60.4 Ų | 60.4 | 43% | 0.429 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 149.1 | 171.2 | -64 | -177.2 | 0 | 0 | 0 | 110.8 | H169 G173 W174 | H169-L171 PolarHBondContact O-N 3.24Å; L171-G173 PolarHBondContact O-N 2.69Å; L171-G173 VanDerWaalsContact O-N 3.07Å; L171-W174 PolarHBondContact O-N 2.73Å |
| 172 | P | 81.1 | Confident | 87.6 | Confident | 135 Ų | 135 | 61.5 Ų | 61.5 | 88% | 0.877 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 117.3 | 178.8 | -26.2 | 35.1 | 0 | 0 | 0 | 111.9 | ||
| 173 | G | 76.2 | Confident | 86.8 | Confident | 20 Ų | 20 | 61.6 Ų | 61.6 | 21% | 0.206 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 110.7 | -3.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L171 P182 V183 | L171-G173 PolarHBondContact O-N 2.69Å; L171-G173 VanDerWaalsContact O-N 3.07Å; G173-P182 CarbonylContact O-C 3.54Å; G173-P182 WeakPolarHBondContact O-CA 3.36Å; G173-V183 PolarHBondContact O-N 3.17Å |
| 174 | W | 87.2 | Confident | 86.1 | Confident | 81 Ų | 81 | 62 Ų | 62 | 31% | 0.307 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 154 | 178.5 | -62 | 95.5 | 0 | 0 | 0 | 113.5 | N155 C170 L171 C179 N181 P182 V183 | N155-W174 HydrophobicContact CB-CD2 3.74Å; N155-W174 HydrophobicContact CB-CE3 4.07Å; N155-W174 HydrophobicContact CB-CG 4.16Å; N155-W174 HydrophobicContact CB-CH2 4.31Å; N155-W174 HydrophobicContact CB-CZ2 3.99Å; N155-W174 HydrophobicContact CB-CZ3 4.35Å; N155-W174 WeakPolarHBondContact ND2-CZ3 3.24Å; C170-W174 HydrophobicContact CB-CB 4.25Å; C170-W174 VanDerWaalsContact CB-O 3.28Å; C170-W174 WeakPolarHBondContact CB-O 3.33Å; L171-W174 PolarHBondContact O-N 2.73Å; W174-C179 HydrophobicContact CB-CB 4.19Å; W174-N181 CarbonylContact C-O 3.45Å; W174-N181 WeakPolarHBondContact CA-O 3.04Å; W174-P182 HydrophobicContact CE3-CB 4.22Å; W174-P182 HydrophobicContact CH2-CB 4.48Å; W174-P182 HydrophobicContact CZ3-CB 4.05Å; W174-P182 HydrophobicContact CZ3-CG 4.38Å; W174-V183 WeakPolarHBondContact O-CG2 3.06Å |
| 175 | T | 86.1 | Confident | 85.1 | Confident | 70 Ų | 70 | 59.3 Ų | 59.3 | 43% | 0.429 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 172 | -175.9 | -170.8 | 0 | 0 | 0 | 0 | 111.4 | C179 E180 N181 V183 | T175-C179 CarbonylContact O-C 3.46Å; T175-C179 WeakPolarHBondContact O-CA 3.27Å; T175-E180 PolarHBondContact O-N 2.04Å; T175-N181 HydrophobicContact CG2-CB 4.11Å; T175-N181 PolarHBondContact N-O 3.38Å; T175-N181 WeakPolarHBondContact O-CA 3.12Å; T175-N181 WeakPolarHBondContact O-CB 3.35Å; T175-N181 PolarHBondContact O-N 3.02Å; T175-N181 PolarHBondContact O-ND2 3.38Å; T175-N181 VanDerWaalsContact O-O 3.06Å; T175-V183 HydrophobicContact CG2-CG2 3.71Å |
| 176 | G | 86.8 | Confident | 84.3 | Confident | 30 Ų | 30 | 55.5 Ų | 55.5 | 31% | 0.309 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 101.7 | 170.3 | -166.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | H178 C179 E180 N181 | G176-H178 VanDerWaalsContact C-N 3.26Å; G176-H178 PolarHBondContact O-N 2.92Å; G176-C179 PolarHBondContact O-N 3Å; G176-E180 WeakPolarHBondContact CA-OE1 3.42Å; G176-E180 WeakPolarHBondContact CA-OE2 3.18Å; G176-N181 WeakPolarHBondContact CA-ND2 3.36Å |
| 177 | L | 87.2 | Confident | 83.2 | Confident | 111 Ų | 111 | 56.7 Ų | 56.7 | 58% | 0.581 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -32.4 | -175.7 | -179.2 | 63 | 0 | 0 | 0 | 112 | C168 E180 | C168-L177 WeakPolarHBondContact CB-O 2.8Å; C168-L177 PolarHBondContact SG-O 3.43Å; C168-L177 VanDerWaalsContact SG-O 3.39Å; L177-E180 PolarHBondContact N-OE2 3.09Å |
| 178 | H | 92 | Very high | 81.7 | Confident | 60 Ų | 60 | 57.5 Ų | 57.5 | 28% | 0.278 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 8.9 | 178.6 | -57.2 | -91.6 | 0 | 0 | 0 | 111.9 | P152 K154 Y166 G176 E180 | P152-H178 WeakPolarHBondContact O-CB 3.03Å; P152-H178 PolarHBondContact O-ND1 3.43Å; K154-H178 HydrophobicContact CG-CB 4.25Å; K154-H178 PolarHBondContact N-O 3.08Å; Y166-H178 AromaticContact CZ-CE1 3.87Å; Y166-H178 PolarHBondContact OH-CE1 2.94Å; G176-H178 VanDerWaalsContact C-N 3.26Å; G176-H178 PolarHBondContact O-N 2.92Å; H178-E180 VanDerWaalsContact C-OE2 3.32Å; H178-E180 VanDerWaalsContact CA-OE2 3.28Å; H178-E180 WeakPolarHBondContact CA-OE2 3.23Å; H178-E180 HydrophobicContact CB-CB 4.3Å; H178-E180 WeakPolarHBondContact CB-OE2 3.41Å; H178-E180 PolarHBondContact N-OE2 2.83Å; H178-E180 PolarHBondContact O-N 3.47Å |
| 179 | C | 91.2 | Very high | 79.9 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 36% | 0.355 | C | S | . | . | S | Bend | trans | 57.6 | 29.5 | -169.3 | -49.4 | 0 | 0 | 0 | 0 | 113.5 | N155 A157 C168 C170 W174 T175 G176 | N155-C179 PolarHBondContact ND2-O 3.11Å; A157-C179 HydrophobicContact CB-CB 3.57Å; A157-C179 WeakPolarHBondContact CB-SG 3.44Å; C168-C179 WeakPolarHBondContact CB-SG 3.47Å; C170-C179 WeakPolarHBondContact CA-SG 3.11Å; C170-C179 HydrophobicContact CB-CB 3.7Å; C170-C179 WeakPolarHBondContact CB-SG 3.07Å; C170-C179 PolarHBondContact N-SG 3.06Å; C170-C179 VanDerWaalsContact N-SG 3.4Å; C170-C179 VanDerWaalsContact SG-CA 3.52Å; C170-C179 WeakPolarHBondContact SG-CB 3.37Å; C170-C179 CovalentContact SG-SG 2.03Å; C170-C179 PolarHBondContact SG-SG 3.18Å; W174-C179 HydrophobicContact CB-CB 4.19Å; T175-C179 CarbonylContact O-C 3.46Å; T175-C179 WeakPolarHBondContact O-CA 3.27Å; G176-C179 PolarHBondContact O-N 3Å |
| 180 | E | 90.8 | Very high | 78.4 | Confident | 80 Ų | 80 | 59.4 Ų | 59.4 | 37% | 0.374 | 35% | 0.352 | S | S | . | . | trans | -77.1 | -22.6 | -173.4 | 72.4 | -71.2 | 173.9 | 0 | 0 | 114 | T175 G176 L177 H178 | T175-E180 PolarHBondContact O-N 2.04Å; G176-E180 WeakPolarHBondContact CA-OE1 3.42Å; G176-E180 WeakPolarHBondContact CA-OE2 3.18Å; L177-E180 PolarHBondContact N-OE2 3.09Å; H178-E180 VanDerWaalsContact C-OE2 3.32Å; H178-E180 VanDerWaalsContact CA-OE2 3.28Å; H178-E180 WeakPolarHBondContact CA-OE2 3.23Å; H178-E180 HydrophobicContact CB-CB 4.3Å; H178-E180 WeakPolarHBondContact CB-OE2 3.41Å; H178-E180 PolarHBondContact N-OE2 2.83Å; H178-E180 PolarHBondContact O-N 3.47Å | ||
| 181 | N | 83.6 | Confident | 77.4 | Confident | 76 Ų | 76 | 61.5 Ų | 61.5 | 41% | 0.406 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 134.7 | -178 | -47.1 | -89.7 | 0 | 0 | 0 | 110.8 | W174 T175 G176 | W174-N181 CarbonylContact C-O 3.45Å; W174-N181 WeakPolarHBondContact CA-O 3.04Å; T175-N181 HydrophobicContact CG2-CB 4.11Å; T175-N181 PolarHBondContact N-O 3.38Å; T175-N181 WeakPolarHBondContact O-CA 3.12Å; T175-N181 WeakPolarHBondContact O-CB 3.35Å; T175-N181 PolarHBondContact O-N 3.02Å; T175-N181 PolarHBondContact O-ND2 3.38Å; T175-N181 VanDerWaalsContact O-O 3.06Å; G176-N181 WeakPolarHBondContact CA-ND2 3.36Å |
| 182 | P | 76 | Confident | 76.9 | Confident | 34 Ų | 34 | 60 Ų | 60 | 22% | 0.221 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 143.1 | 168.1 | 28.5 | -32.9 | 0 | 0 | 0 | 111 | G173 W174 R184 M203 V1381 | G173-P182 CarbonylContact O-C 3.54Å; G173-P182 WeakPolarHBondContact O-CA 3.36Å; W174-P182 HydrophobicContact CE3-CB 4.22Å; W174-P182 HydrophobicContact CH2-CB 4.48Å; W174-P182 HydrophobicContact CZ3-CB 4.05Å; W174-P182 HydrophobicContact CZ3-CG 4.38Å; P182-R184 PolarHBondContact O-N 3.41Å; P182-M203 HydrophobicContact CG-CE 3.45Å; P182-M203 VanDerWaalsContact CG-CE 3.45Å; P182-V1381 HydrophobicContact CG-CG1 4.2Å |
| 183 | V | 71 | Confident | 76.9 | Confident | 49 Ų | 49 | 54 Ų | 54 | 30% | 0.297 | 32% | 0.321 | S | S | . | . | trans | -74.2 | 96.8 | 176.7 | 174.9 | 0 | 0 | 0 | 0 | 109.2 | G173 W174 T175 P185 | G173-V183 PolarHBondContact O-N 3.17Å; W174-V183 WeakPolarHBondContact O-CG2 3.06Å; T175-V183 HydrophobicContact CG2-CG2 3.71Å; V183-P185 WeakPolarHBondContact O-CD 3.23Å; V183-P185 WeakPolarHBondContact O-CG 3.34Å | ||
| 184 | R | 71.6 | Confident | 77.1 | Confident | 80 Ų | 80 | 57 Ų | 57 | 30% | 0.302 | 33% | 0.332 | S | S | . | . | trans | -63.1 | 100.8 | 169.5 | -66.4 | -169.7 | -155.8 | -125.5 | 5.6 | 111 | P182 C186 A187 A188 D201 M203 E1382 | P182-R184 PolarHBondContact O-N 3.41Å; R184-C186 VanDerWaalsContact C-N 3.32Å; R184-C186 PolarHBondContact O-N 2.94Å; R184-A187 HydrophobicContact CB-CB 3.74Å; R184-A187 PolarHBondContact O-N 2.77Å; R184-A188 PolarHBondContact O-N 3.07Å; R184-D201 VanDerWaalsContact C-OD1 3.28Å; R184-D201 WeakPolarHBondContact CA-OD2 3.4Å; R184-D201 WeakPolarHBondContact CB-OD2 3.41Å; R184-D201 WeakPolarHBondContact CG-OD2 3.08Å; R184-M203 HydrophobicContact CG-CE 4.5Å; R184-M203 HydrophobicContact CG-SD 4.15Å; R184-M203 VanDerWaalsContact CZ-CE 3.48Å; R184-E1382 IonicContact CZ-OE1 3.44Å; R184-E1382 IonicContact CZ-OE2 3.58Å; R184-E1382 IonicContact NH1-OE1 3.57Å; R184-E1382 PolarHBondContact NH1-OE1 2.93Å; R184-E1382 IonicContact NH1-OE2 3.55Å; R184-E1382 VanDerWaalsContact NH2-CD 3.3Å; R184-E1382 IonicContact NH2-OE1 3Å; R184-E1382 PolarHBondContact NH2-OE1 3.04Å; R184-E1382 IonicContact NH2-OE2 3.91Å; R184-E1382 PolarHBondContact NH2-OE2 2.78Å | ||
| 185 | P | 66 | Low | 76.8 | Confident | 21 Ų | 21 | 56.1 Ų | 56.1 | 14% | 0.136 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.1 | -33.2 | -167.6 | -22.6 | 36.6 | 0 | 0 | 0 | 113.2 | V183 N189 L192 D201 L218 F219 | V183-P185 WeakPolarHBondContact O-CD 3.23Å; V183-P185 WeakPolarHBondContact O-CG 3.34Å; P185-N189 PolarHBondContact O-N 2.76Å; P185-L192 HydrophobicContact CB-CD2 4.42Å; P185-D201 WeakPolarHBondContact CD-OD1 3.42Å; P185-D201 VanDerWaalsContact N-OD1 3.07Å; P185-L218 HydrophobicContact CG-CB 3.82Å; P185-F219 HydrophobicContact CB-CB 4.2Å; P185-F219 HydrophobicContact CB-CD1 4.29Å; P185-F219 HydrophobicContact CB-CG 4.48Å; P185-F219 HydrophobicContact CG-CB 4.25Å; P185-F219 HydrophobicContact CG-CD1 4.48Å |
| 186 | C | 74.7 | Confident | 76.4 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -82.5 | -20 | -179.3 | -72.8 | 0 | 0 | 0 | 0 | 113.2 | R184 S190 C199 L200 D201 H1385 | R184-C186 VanDerWaalsContact C-N 3.32Å; R184-C186 PolarHBondContact O-N 2.94Å; C186-S190 VanDerWaalsContact O-CA 3.25Å; C186-S190 WeakPolarHBondContact O-CA 3.39Å; C186-S190 PolarHBondContact O-N 3.22Å; C186-C199 HydrophobicContact CB-CB 3.86Å; C186-C199 WeakPolarHBondContact CB-O 3.28Å; C186-C199 WeakPolarHBondContact CB-SG 3.05Å; C186-C199 VanDerWaalsContact SG-CA 3.6Å; C186-C199 WeakPolarHBondContact SG-CB 3.22Å; C186-C199 PolarHBondContact SG-O 2.02Å; C186-C199 CovalentContact SG-SG 2.04Å; C186-C199 PolarHBondContact SG-SG 3.3Å; C186-L200 PolarHBondContact SG-O 3.42Å; C186-D201 WeakPolarHBondContact CB-OD1 3.39Å; C186-D201 PolarHBondContact N-OD1 3.35Å; C186-H1385 WeakPolarHBondContact CB-NE2 3.5Å |
| 187 | A | 68.1 | Low | 76.2 | Confident | 66 Ų | 66 | 56 Ų | 56 | 55% | 0.545 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -72.1 | -45 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R184 | R184-A187 HydrophobicContact CB-CB 3.74Å; R184-A187 PolarHBondContact O-N 2.77Å |
| 188 | A | 60.2 | Low | 76.1 | Confident | 72 Ų | 72 | 53 Ų | 53 | 60% | 0.595 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -72.7 | -41.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | R184 | R184-A188 PolarHBondContact O-N 3.07Å |
| 189 | N | 59.8 | Low | 75.7 | Confident | 90 Ų | 90 | 50.2 Ų | 50.2 | 48% | 0.481 | 30% | 0.297 | S | S | . | . | trans | -128.1 | 71.9 | -179.1 | -77.7 | -64.2 | 0 | 0 | 0 | 111.4 | P185 S191 L192 | P185-N189 PolarHBondContact O-N 2.76Å; N189-S191 PolarHBondContact O-N 3.09Å; N189-L192 HydrophobicContact CB-CB 4.35Å; N189-L192 HydrophobicContact CB-CD1 4.07Å; N189-L192 WeakPolarHBondContact O-CB 3.29Å; N189-L192 PolarHBondContact O-N 3.28Å | ||
| 190 | S | 61.3 | Low | 75.2 | Confident | 45 Ų | 45 | 51.1 Ų | 51.1 | 32% | 0.315 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -2.9 | 174.4 | 172.2 | 0 | 0 | 0 | 0 | 115.1 | C186 K1388 | C186-S190 VanDerWaalsContact O-CA 3.25Å; C186-S190 WeakPolarHBondContact O-CA 3.39Å; C186-S190 PolarHBondContact O-N 3.22Å; S190-K1388 PolarHBondContact OG-NZ 3.09Å |
| 191 | S | 67.6 | Low | 74.3 | Confident | 90 Ų | 90 | 47.5 Ų | 47.5 | 63% | 0.629 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | 10.1 | 173.5 | 62 | 0 | 0 | 0 | 0 | 114 | N189 | N189-S191 PolarHBondContact O-N 3.09Š|
| 192 | L | 76.6 | Confident | 73.4 | Confident | 49 Ų | 49 | 46.9 Ų | 46.9 | 26% | 0.257 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -63.4 | -46.6 | 179.2 | -146.9 | 70.1 | 0 | 0 | 0 | 110.4 | P185 N189 F219 F231 | P185-L192 HydrophobicContact CB-CD2 4.42Å; N189-L192 HydrophobicContact CB-CB 4.35Å; N189-L192 HydrophobicContact CB-CD1 4.07Å; N189-L192 WeakPolarHBondContact O-CB 3.29Å; N189-L192 PolarHBondContact O-N 3.28Å; L192-F219 HydrophobicContact CD2-CD1 3.92Å; L192-F219 HydrophobicContact CD2-CD2 3.92Å; L192-F219 HydrophobicContact CD2-CE1 3.76Å; L192-F219 HydrophobicContact CD2-CE2 3.76Å; L192-F219 HydrophobicContact CD2-CG 4.02Å; L192-F219 HydrophobicContact CD2-CZ 3.68Å; L192-F219 HydrophobicContact CG-CE2 4.41Å; L192-F219 HydrophobicContact CG-CZ 4.46Å; L192-F231 HydrophobicContact CD2-CE1 4.39Å; L192-F231 HydrophobicContact CG-CD1 4.12Å; L192-F231 HydrophobicContact CG-CE1 3.96Å; L192-F231 WeakPolarHBondContact O-CD1 3.09Å |
| 193 | C | 80.1 | Confident | 72 | Confident | 10 Ų | 10 | 46 Ų | 46 | 7% | 0.068 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -80 | 124.5 | 169.3 | -53.3 | 0 | 0 | 0 | 0 | 111 | A197 C199 C221 | C193-A197 HydrophobicContact CB-CB 4.08Å; C193-C199 HydrophobicContact CB-CB 3.92Å; C193-C199 WeakPolarHBondContact SG-CA 3.48Å; C193-C199 WeakPolarHBondContact SG-CB 3.22Å; C193-C199 PolarHBondContact SG-SG 3.23Å; C193-C221 VanDerWaalsContact CA-SG 3.6Å; C193-C221 HydrophobicContact CB-CB 3.76Å; C193-C221 WeakPolarHBondContact CB-SG 3.27Å; C193-C221 WeakPolarHBondContact SG-CB 3.42Å; C193-C221 CovalentContact SG-SG 2.01Å; C193-C221 PolarHBondContact SG-SG 3.11Å |
| 194 | L | 82.4 | Confident | 70.5 | Confident | 84 Ų | 84 | 47.2 Ų | 47.2 | 44% | 0.44 | 28% | 0.282 | S | S | . | . | trans | -87 | 178.7 | -177.9 | -53.8 | -175 | 0 | 0 | 0 | 111.6 | N196 A197 F231 E233 | L194-N196 VanDerWaalsContact C-N 3.28Å; L194-N196 PolarHBondContact O-N 3.25Å; L194-N196 VanDerWaalsContact O-N 3.17Å; L194-A197 WeakPolarHBondContact O-CB 3.45Å; L194-A197 PolarHBondContact O-N 3.34Å; L194-F231 WeakPolarHBondContact CB-O 3.5Å; L194-F231 HydrophobicContact CG-CB 4.46Å; L194-F231 PolarHBondContact N-O 3.32Å; L194-E233 HydrophobicContact CD1-CB 3.88Å | ||
| 195 | N | 80.5 | Confident | 68.6 | Low | 62 Ų | 62 | 47.8 Ų | 47.8 | 33% | 0.332 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 39.5 | 172.4 | -60.9 | -55 | 0 | 0 | 0 | 114.7 | A197 P224 F227 C232 | N195-A197 PolarHBondContact O-N 2.84Å; N195-P224 WeakPolarHBondContact O-CG 3.48Å; N195-F227 HydrophobicContact CB-CD1 3.68Å; N195-F227 HydrophobicContact CB-CD2 4.23Å; N195-F227 HydrophobicContact CB-CE1 3.73Å; N195-F227 HydrophobicContact CB-CE2 4.28Å; N195-F227 HydrophobicContact CB-CG 3.93Å; N195-F227 HydrophobicContact CB-CZ 4.03Å; N195-F227 VanDerWaalsContact CG-CD1 3.49Å; N195-F227 VanDerWaalsContact ND2-CD1 3.33Å; N195-F227 WeakPolarHBondContact ND2-CD1 3.35Å; N195-F227 WeakPolarHBondContact ND2-CE1 3.35Å; N195-C232 PolarHBondContact ND2-O 3.08Å |
| 196 | N | 76.4 | Confident | 67.3 | Low | 93 Ų | 93 | 51 Ų | 51 | 50% | 0.497 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 21.4 | -177 | -67.8 | 13.1 | 0 | 0 | 0 | 114.6 | L194 K1388 T1389 | L194-N196 VanDerWaalsContact C-N 3.28Å; L194-N196 PolarHBondContact O-N 3.25Å; L194-N196 VanDerWaalsContact O-N 3.17Å; N196-K1388 WeakPolarHBondContact CB-O 3.38Å; N196-T1389 PolarHBondContact ND2-O 3.26Å; N196-T1389 PolarHBondContact ND2-OG1 3.4Å |
| 197 | A | 82.8 | Confident | 65.1 | Low | 3 Ų | 3 | 56.1 Ų | 56.1 | 3% | 0.025 | 33% | 0.334 | C | S | . | . | trans | -76.2 | 160.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | C193 L194 N195 C199 C232 P1387 | C193-A197 HydrophobicContact CB-CB 4.08Å; L194-A197 WeakPolarHBondContact O-CB 3.45Å; L194-A197 PolarHBondContact O-N 3.34Å; N195-A197 PolarHBondContact O-N 2.84Å; A197-C199 PolarHBondContact O-N 3.14Å; A197-C232 HydrophobicContact CB-CB 3.34Å; A197-C232 WeakPolarHBondContact CB-SG 3.08Å; A197-P1387 VanDerWaalsContact O-CD 3.23Å; A197-P1387 WeakPolarHBondContact O-CD 3.47Å | ||
| 198 | T | 84.9 | Confident | 63.2 | Low | 50 Ų | 50 | 57.5 Ų | 57.5 | 31% | 0.307 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 87.6 | -163.2 | -72.3 | 0 | 0 | 0 | 0 | 110 | L200 C221 L222 H1386 | T198-L200 HydrophobicContact CG2-CD2 4.19Å; T198-L200 PolarHBondContact O-N 3.18Å; T198-L200 VanDerWaalsContact O-N 3.09Å; T198-C221 CarbonylContact O-C 3.54Å; T198-L222 WeakPolarHBondContact CA-O 3.22Å; T198-L222 VanDerWaalsContact CB-O 3.24Å; T198-L222 WeakPolarHBondContact CB-O 3.32Å; T198-L222 HydrophobicContact CG2-CB 3.61Å; T198-L222 HydrophobicContact CG2-CD1 3.78Å; T198-L222 HydrophobicContact CG2-CG 4.25Å; T198-L222 PolarHBondContact N-O 2.83Å; T198-L222 PolarHBondContact O-N 2.85Å; T198-H1386 CarbonylContact C-O 3.57Å; T198-H1386 WeakPolarHBondContact CA-O 3.05Å; T198-H1386 WeakPolarHBondContact CB-O 3.1Å; T198-H1386 WeakPolarHBondContact CG2-O 3.24Å; T198-H1386 PolarHBondContact OG1-O 2.84Å |
| 199 | C | 84.7 | Confident | 61.9 | Low | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.007 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 85.4 | -173.7 | -159.8 | 0 | 0 | 0 | 0 | 113.7 | C186 C193 A197 H1385 H1386 | C186-C199 HydrophobicContact CB-CB 3.86Å; C186-C199 WeakPolarHBondContact CB-O 3.28Å; C186-C199 WeakPolarHBondContact CB-SG 3.05Å; C186-C199 VanDerWaalsContact SG-CA 3.6Å; C186-C199 WeakPolarHBondContact SG-CB 3.22Å; C186-C199 PolarHBondContact SG-O 2.02Å; C186-C199 CovalentContact SG-SG 2.04Å; C186-C199 PolarHBondContact SG-SG 3.3Å; C193-C199 HydrophobicContact CB-CB 3.92Å; C193-C199 WeakPolarHBondContact SG-CA 3.48Å; C193-C199 WeakPolarHBondContact SG-CB 3.22Å; C193-C199 PolarHBondContact SG-SG 3.23Å; A197-C199 PolarHBondContact O-N 3.14Å; C199-H1385 CarbonylContact C-O 2.99Å; C199-H1385 CarbonylContact O-C 3.25Å; C199-H1385 PolarHBondContact O-CD2 3.31Å; C199-H1385 VanDerWaalsContact O-CD2 3.28Å; C199-H1386 HydrophobicContact CB-CB 4.27Å; C199-H1386 PolarHBondContact N-O 2.87Å; C199-H1386 VanDerWaalsContact O-CB 3.27Å; C199-H1386 WeakPolarHBondContact O-CB 3.47Å |
| 200 | L | 80 | Confident | 60.4 | Low | 19 Ų | 19 | 63.9 Ų | 63.9 | 10% | 0.099 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 165.8 | 171.2 | -39.6 | 177.9 | 0 | 0 | 0 | 112.2 | C186 T198 F219 V220 L222 E1384 H1385 | C186-L200 PolarHBondContact SG-O 3.42Å; T198-L200 HydrophobicContact CG2-CD2 4.19Å; T198-L200 PolarHBondContact O-N 3.18Å; T198-L200 VanDerWaalsContact O-N 3.09Å; L200-F219 WeakPolarHBondContact O-CB 3.34Å; L200-V220 VanDerWaalsContact CA-O 3.24Å; L200-V220 WeakPolarHBondContact CA-O 3.48Å; L200-V220 HydrophobicContact CB-CB 4.11Å; L200-V220 WeakPolarHBondContact CB-O 3.41Å; L200-V220 HydrophobicContact CD1-CB 4.01Å; L200-V220 HydrophobicContact CD1-CG1 3.96Å; L200-V220 HydrophobicContact CG-CB 4.42Å; L200-V220 WeakPolarHBondContact CG-O 3.46Å; L200-V220 PolarHBondContact N-O 2.87Å; L200-V220 PolarHBondContact O-N 2.79Å; L200-V220 VanDerWaalsContact O-N 3.15Å; L200-L222 HydrophobicContact CD1-CD1 3.94Å; L200-L222 HydrophobicContact CD1-CD2 4.36Å; L200-L222 HydrophobicContact CD1-CG 3.68Å; L200-L222 HydrophobicContact CD2-CD1 3.61Å; L200-L222 HydrophobicContact CD2-CG 3.98Å; L200-L222 HydrophobicContact CG-CD1 4.08Å; L200-L222 HydrophobicContact CG-CG 3.89Å; L200-E1384 VanDerWaalsContact CB-CD 3.48Å; L200-E1384 HydrophobicContact CB-CG 3.83Å; L200-E1384 VanDerWaalsContact CB-OE2 3.23Å; L200-E1384 WeakPolarHBondContact CB-OE2 3.35Å; L200-E1384 HydrophobicContact CD1-CG 3.76Å; L200-E1384 HydrophobicContact CD2-CG 3.92Å; L200-E1384 HydrophobicContact CG-CG 4.06Å; L200-H1385 VanDerWaalsContact CA-O 3.27Å; L200-H1385 WeakPolarHBondContact CA-O 3.35Å; L200-H1385 WeakPolarHBondContact CD2-O 3.36Å; L200-H1385 PolarHBondContact N-O 3.16Å; L200-H1385 VanDerWaalsContact N-O 3.1Å |
| 201 | D | 72.1 | Confident | 58.8 | Low | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.021 | 38% | 0.375 | C | S | . | . | trans | -136.5 | 3.9 | -153.1 | -152.1 | 62.2 | 0 | 0 | 0 | 113.7 | R184 P185 C186 L218 I1383 E1384 H1385 | R184-D201 VanDerWaalsContact C-OD1 3.28Å; R184-D201 WeakPolarHBondContact CA-OD2 3.4Å; R184-D201 WeakPolarHBondContact CB-OD2 3.41Å; R184-D201 WeakPolarHBondContact CG-OD2 3.08Å; P185-D201 WeakPolarHBondContact CD-OD1 3.42Å; P185-D201 VanDerWaalsContact N-OD1 3.07Å; C186-D201 WeakPolarHBondContact CB-OD1 3.39Å; C186-D201 PolarHBondContact N-OD1 3.35Å; D201-L218 CarbonylContact C-O 3.55Å; D201-L218 VanDerWaalsContact C-O 3.24Å; D201-I1383 HydrophobicContact CB-CD1 4.44Å; D201-E1384 PolarHBondContact N-OE2 2.87Å; D201-H1385 WeakPolarHBondContact CB-CE1 3.28Å; D201-H1385 VanDerWaalsContact CB-ND1 3.34Å; D201-H1385 WeakPolarHBondContact CB-ND1 3.09Å; D201-H1385 IonicContact OD1-CE1 3.07Å; D201-H1385 PolarHBondContact OD1-CE1 3.16Å; D201-H1385 IonicContact OD1-NE2 2.72Å; D201-H1385 IonicContact OD2-CE1 2.58Å; D201-H1385 PolarHBondContact OD2-CE1 3.47Å; D201-H1385 IonicContact OD2-ND1 2.65Å; D201-H1385 IonicContact OD2-NE2 2.84Å | ||
| 202 | L | 63.8 | Low | 57.3 | Low | 62 Ų | 62 | 72.6 Ų | 72.6 | 33% | 0.325 | 38% | 0.38 | S | S | . | . | trans | 41.9 | 73.9 | 167.5 | -139.1 | -177 | 0 | 0 | 0 | 116.2 | T204 D217 V220 E1384 | L202-T204 HydrophobicContact CD2-CG2 4.17Å; L202-D217 WeakPolarHBondContact CD1-O 3.42Å; L202-V220 HydrophobicContact CD1-CG2 3.9Å; L202-V220 HydrophobicContact CG-CG2 4.2Å; L202-E1384 WeakPolarHBondContact CA-OE2 3.29Å; L202-E1384 PolarHBondContact N-OE2 3.3Å | ||
| 203 | M | 48 | Very low | 54.9 | Low | 15 Ų | 15 | 77.2 Ų | 77.2 | 7% | 0.074 | 41% | 0.406 | C | S | . | . | trans | -145.2 | 119.6 | -169.6 | -160.2 | -179.6 | 173.5 | 0 | 0 | 107.9 | P182 R184 V1381 E1382 I1383 | P182-M203 HydrophobicContact CG-CE 3.45Å; P182-M203 VanDerWaalsContact CG-CE 3.45Å; R184-M203 HydrophobicContact CG-CE 4.5Å; R184-M203 HydrophobicContact CG-SD 4.15Å; R184-M203 VanDerWaalsContact CZ-CE 3.48Å; M203-V1381 HydrophobicContact CE-CG1 3.58Å; M203-V1381 HydrophobicContact CG-CB 3.71Å; M203-V1381 HydrophobicContact CG-CG1 3.32Å; M203-V1381 HydrophobicContact SD-CG1 4.3Å; M203-E1382 VanDerWaalsContact C-N 3.27Å; M203-E1382 HydrophobicContact CE-CB 3.59Å; M203-E1382 HydrophobicContact CE-CG 4.43Å; M203-E1382 HydrophobicContact CG-CB 3.71Å; M203-E1382 CarbonylContact O-C 3.51Å; M203-E1382 HydrophobicContact SD-CB 3.81Å; M203-I1383 VanDerWaalsContact CB-O 3.28Å; M203-I1383 WeakPolarHBondContact CB-O 3.35Å; M203-I1383 PolarHBondContact N-O 3.24Å; M203-I1383 PolarHBondContact O-N 3.37Å; M203-I1383 VanDerWaalsContact O-O 3.14Å; M203-I1383 HydrophobicContact SD-CD1 4.27Å; M203-I1383 HydrophobicContact SD-CG1 4.33Å | ||
| 204 | T | 39.4 | Very low | 52.5 | Low | 75 Ų | 75 | 86.3 Ų | 86.3 | 46% | 0.46 | 45% | 0.447 | S | S | . | . | trans | -141.8 | 58.8 | -151.8 | 51.8 | 0 | 0 | 0 | 0 | 118 | L202 E1380 E1382 | L202-T204 HydrophobicContact CD2-CG2 4.17Å; T204-E1380 CarbonylContact C-O 3.5Å; T204-E1380 VanDerWaalsContact CA-O 3.27Å; T204-E1380 WeakPolarHBondContact CA-O 3.39Å; T204-E1380 PolarHBondContact N-O 3.13Å; T204-E1380 VanDerWaalsContact N-O 3.09Å; T204-E1380 CarbonylContact O-C 3.5Å; T204-E1380 VanDerWaalsContact O-C 3.32Å; T204-E1380 PolarHBondContact O-N 3.4Å; T204-E1380 VanDerWaalsContact O-N 3.08Å; T204-E1380 PolarHBondContact OG1-O 2.96Å; T204-E1380 VanDerWaalsContact OG1-O 3.09Å; T204-E1382 VanDerWaalsContact N-N 3.11Å | ||
| 205 | T | 32 | Very low | 50.2 | Low | 93 Ų | 93 | 86.1 Ų | 86.1 | 57% | 0.571 | 45% | 0.453 | S | S | * | . | trans | 28.6 | 118.9 | 167.2 | 58.1 | 0 | 0 | 0 | 0 | 120.3 | E207 L1379 E1380 V1381 | T205-E207 PolarHBondContact O-N 3.46Å; T205-L1379 CarbonylContact O-C 3.42Å; T205-L1379 VanDerWaalsContact O-O 3.11Å; T205-E1380 PolarHBondContact N-O 3.17Å; T205-E1380 PolarHBondContact O-N 3.1Å; T205-V1381 VanDerWaalsContact CA-O 3.22Å; T205-V1381 WeakPolarHBondContact CA-O 3.04Å; T205-V1381 PolarHBondContact N-O 2.92Å | ||
| 206 | N | 38.8 | Very low | 48.3 | Very low | 88 Ų | 88 | 90.9 Ų | 90.9 | 47% | 0.471 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -51.5 | 93.4 | 176.4 | -95.9 | -34.7 | 0 | 0 | 0 | 113.6 | H1378 L1379 E1380 | N206-H1378 CarbonylContact C-O 3.57Å; N206-H1378 WeakPolarHBondContact CA-O 3.2Å; N206-H1378 PolarHBondContact OD1-O 3.03Å; N206-H1378 VanDerWaalsContact OD1-O 3.09Å; N206-L1379 WeakPolarHBondContact OD1-CA 3.42Å; N206-E1380 PolarHBondContact ND2-OE1 3.03Å; N206-E1380 VanDerWaalsContact OD1-CA 3.25Å; N206-E1380 WeakPolarHBondContact OD1-CA 3.18Å; N206-E1380 WeakPolarHBondContact OD1-CB 3.32Å; N206-E1380 VanDerWaalsContact OD1-CD 3.23Å; N206-E1380 VanDerWaalsContact OD1-CG 3.31Å; N206-E1380 WeakPolarHBondContact OD1-CG 3Å; N206-E1380 PolarHBondContact OD1-OE1 3.27Å |
| 207 | E | 28.8 | Very low | 47.2 | Very low | 107 Ų | 107 | 89 Ų | 89 | 50% | 0.5 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -177.4 | 30.2 | 153.3 | -94.5 | -77.1 | 98.3 | 0 | 0 | 115.8 | T205 I1376 L1377 H1378 L1379 | T205-E207 PolarHBondContact O-N 3.46Å; E207-I1376 VanDerWaalsContact OE2-C 3.26Å; E207-L1377 CarbonylContact C-O 3.38Å; E207-L1377 CarbonylContact O-C 3.55Å; E207-L1377 PolarHBondContact O-N 3Å; E207-L1377 WeakPolarHBondContact OE1-CA 3.28Å; E207-L1377 WeakPolarHBondContact OE2-CA 3.38Å; E207-L1377 PolarHBondContact OE2-N 2.9Å; E207-H1378 VanDerWaalsContact N-C 3.34Å; E207-H1378 PolarHBondContact N-O 3.1Å; E207-H1378 PolarHBondContact OE1-N 2.96Å; E207-L1379 PolarHBondContact N-O 3.38Å |
| 208 | N | 28 | Very low | 46.3 | Very low | 96 Ų | 96 | 93.1 Ų | 93.1 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | trans | -151.7 | 122.5 | 170.5 | -123.5 | -113.2 | 0 | 0 | 0 | 121.7 | L1377 L1379 | N208-L1377 WeakPolarHBondContact CA-O 3.44Å; N208-L1377 PolarHBondContact N-O 3.23Å; N208-L1377 VanDerWaalsContact N-O 3.15Å; N208-L1379 PolarHBondContact N-O 2.97Å | ||
| 209 | I | 32.1 | Very low | 45.8 | Very low | 110 Ų | 110 | 91.9 Ų | 91.9 | 56% | 0.564 | 48% | 0.48 | S | S | * | . | trans | 54.1 | 138.5 | 138.6 | -68 | 179.1 | 0 | 0 | 0 | 125.3 | M211 | I209-M211 PolarHBondContact O-N 3.39Š| ||
| 210 | E | 28.1 | Very low | 45.7 | Very low | 185 Ų | 185 | 94.7 Ų | 94.7 | 86% | 0.864 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -62.2 | 106.1 | 159.8 | -58.7 | 174.3 | 120.5 | 0 | 0 | 113.6 | ||
| 211 | M | 28.9 | Very low | 45.9 | Very low | 174 Ų | 174 | 94.5 Ų | 94.5 | 86% | 0.857 | 50% | 0.496 | S | S | * | . | trans | 177.6 | 82.1 | 146.1 | -94.5 | -137.7 | -58.2 | 0 | 0 | 113.3 | I209 | I209-M211 PolarHBondContact O-N 3.39Š| ||
| 212 | I | 34.7 | Very low | 46.4 | Very low | 144 Ų | 144 | 98.7 Ų | 98.7 | 74% | 0.738 | 52% | 0.519 | S | S | * | . | trans | -136 | 109.2 | 149.2 | -55.8 | -178.8 | 0 | 0 | 0 | 108.3 | ||||
| 213 | N | 26.9 | Very low | 47.4 | Very low | 147 Ų | 147 | 97.9 Ų | 97.9 | 79% | 0.786 | 52% | 0.518 | S | S | * | . | trans | -103.8 | 145.5 | 170.2 | -88.9 | -41.9 | 0 | 0 | 0 | 109.9 | ||||
| 214 | E | 29.5 | Very low | 48.9 | Very low | 201 Ų | 201 | 99.6 Ų | 99.6 | 94% | 0.939 | 53% | 0.53 | S | S | * | . | S | Bend | trans | 78.3 | 8.3 | 159.8 | -62.8 | -177.6 | 171.6 | 0 | 0 | 121.3 | ||
| 215 | S | 34.8 | Very low | 50.4 | Low | 79 Ų | 79 | 105.5 Ų | 105.5 | 55% | 0.552 | 55% | 0.552 | S | S | * | * | trans | -151.3 | 113 | 165.5 | 62.8 | 0 | 0 | 0 | 0 | 116.4 | D217 | S215-D217 PolarHBondContact O-N 3.25Š| ||
| 216 | N | 39.1 | Very low | 52.1 | Low | 163 Ų | 163 | 102 Ų | 102 | 87% | 0.872 | 54% | 0.535 | S | S | * | . | trans | -81.9 | 91.4 | 174.2 | -67.6 | 13.9 | 0 | 0 | 0 | 111.4 | ||||
| 217 | D | 53.7 | Low | 54 | Low | 53 Ų | 53 | 99.9 Ų | 99.9 | 28% | 0.283 | 52% | 0.521 | S | S | . | . | trans | -134.7 | 115.5 | 171.3 | -86.7 | -47.3 | 0 | 0 | 0 | 111.8 | L202 S215 F219 K230 | L202-D217 WeakPolarHBondContact CD1-O 3.42Å; S215-D217 PolarHBondContact O-N 3.25Å; D217-F219 PolarHBondContact O-N 2.03Å; D217-K230 VanDerWaalsContact CG-CE 3.48Å; D217-K230 WeakPolarHBondContact OD1-CE 3.07Å; D217-K230 IonicContact OD1-NZ 3.47Å; D217-K230 PolarHBondContact OD1-NZ 2.79Å; D217-K230 VanDerWaalsContact OD2-CE 3.23Å; D217-K230 WeakPolarHBondContact OD2-CE 3.28Å; D217-K230 IonicContact OD2-NZ 2.66Å; D217-K230 PolarHBondContact OD2-NZ 3.25Å | ||
| 218 | L | 64.5 | Low | 56.4 | Low | 89 Ų | 89 | 99 Ų | 99 | 47% | 0.466 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -76.6 | 10.9 | 175.9 | -90.4 | 74.4 | 0 | 0 | 0 | 113.6 | P185 D201 | P185-L218 HydrophobicContact CG-CB 3.82Å; D201-L218 CarbonylContact C-O 3.55Å; D201-L218 VanDerWaalsContact C-O 3.24Å |
| 219 | F | 74.8 | Confident | 58.6 | Low | 25 Ų | 25 | 96 Ų | 96 | 11% | 0.11 | 51% | 0.508 | C | S | . | . | trans | -154.6 | 155.7 | -175.8 | 71.3 | -85.6 | 0 | 0 | 0 | 112.8 | P185 L192 L200 D217 K230 F231 | P185-F219 HydrophobicContact CB-CB 4.2Å; P185-F219 HydrophobicContact CB-CD1 4.29Å; P185-F219 HydrophobicContact CB-CG 4.48Å; P185-F219 HydrophobicContact CG-CB 4.25Å; P185-F219 HydrophobicContact CG-CD1 4.48Å; L192-F219 HydrophobicContact CD2-CD1 3.92Å; L192-F219 HydrophobicContact CD2-CD2 3.92Å; L192-F219 HydrophobicContact CD2-CE1 3.76Å; L192-F219 HydrophobicContact CD2-CE2 3.76Å; L192-F219 HydrophobicContact CD2-CG 4.02Å; L192-F219 HydrophobicContact CD2-CZ 3.68Å; L192-F219 HydrophobicContact CG-CE2 4.41Å; L192-F219 HydrophobicContact CG-CZ 4.46Å; L200-F219 WeakPolarHBondContact O-CB 3.34Å; D217-F219 PolarHBondContact O-N 2.03Å; F219-K230 HydrophobicContact CE2-CG 4.4Å; F219-K230 HydrophobicContact CZ-CG 4.45Å; F219-F231 AromaticContact CE2-CD1 3.92Å; F219-F231 HydrophobicContact CE2-CD1 3.92Å; F219-F231 AromaticContact CE2-CE1 3.71Å; F219-F231 HydrophobicContact CE2-CE1 3.71Å; F219-F231 HydrophobicContact CZ-CD1 4.08Å; F219-F231 AromaticContact CZ-CE1 3.38Å; F219-F231 HydrophobicContact CZ-CE1 3.38Å; F219-F231 AromaticContact CZ-CZ 3.92Å; F219-F231 HydrophobicContact CZ-CZ 3.92Å | ||
| 220 | V | 81.7 | Confident | 60.9 | Low | 60 Ų | 60 | 95.2 Ų | 95.2 | 36% | 0.364 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 130.3 | -178.6 | 177.5 | 0 | 0 | 0 | 0 | 109.7 | L200 L202 | L200-V220 VanDerWaalsContact CA-O 3.24Å; L200-V220 WeakPolarHBondContact CA-O 3.48Å; L200-V220 HydrophobicContact CB-CB 4.11Å; L200-V220 WeakPolarHBondContact CB-O 3.41Å; L200-V220 HydrophobicContact CD1-CB 4.01Å; L200-V220 HydrophobicContact CD1-CG1 3.96Å; L200-V220 HydrophobicContact CG-CB 4.42Å; L200-V220 WeakPolarHBondContact CG-O 3.46Å; L200-V220 PolarHBondContact N-O 2.87Å; L200-V220 PolarHBondContact O-N 2.79Å; L200-V220 VanDerWaalsContact O-N 3.15Å; L202-V220 HydrophobicContact CD1-CG2 3.9Å; L202-V220 HydrophobicContact CG-CG2 4.2Å |
| 221 | C | 85.2 | Confident | 63.5 | Low | 14 Ų | 14 | 90 Ų | 90 | 10% | 0.095 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 109.8 | 175 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | C193 T198 C223 K230 C232 | C193-C221 VanDerWaalsContact CA-SG 3.6Å; C193-C221 HydrophobicContact CB-CB 3.76Å; C193-C221 WeakPolarHBondContact CB-SG 3.27Å; C193-C221 WeakPolarHBondContact SG-CB 3.42Å; C193-C221 CovalentContact SG-SG 2.01Å; C193-C221 PolarHBondContact SG-SG 3.11Å; T198-C221 CarbonylContact O-C 3.54Å; C221-C223 PolarHBondContact O-N 3.29Å; C221-C223 VanDerWaalsContact O-N 3.17Å; C221-K230 PolarHBondContact SG-O 2.89Å; C221-C232 HydrophobicContact CB-CB 4.48Å; C221-C232 WeakPolarHBondContact CB-SG 3.36Å; C221-C232 PolarHBondContact O-SG 3.47Å; C221-C232 VanDerWaalsContact O-SG 3.36Å |
| 222 | L | 82.9 | Confident | 66.2 | Low | 93 Ų | 93 | 81.7 Ų | 81.7 | 49% | 0.487 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 103.6 | 165.6 | -76.7 | 178.8 | 0 | 0 | 0 | 109.8 | T198 L200 | T198-L222 WeakPolarHBondContact CA-O 3.22Å; T198-L222 VanDerWaalsContact CB-O 3.24Å; T198-L222 WeakPolarHBondContact CB-O 3.32Å; T198-L222 HydrophobicContact CG2-CB 3.61Å; T198-L222 HydrophobicContact CG2-CD1 3.78Å; T198-L222 HydrophobicContact CG2-CG 4.25Å; T198-L222 PolarHBondContact N-O 2.83Å; T198-L222 PolarHBondContact O-N 2.85Å; L200-L222 HydrophobicContact CD1-CD1 3.94Å; L200-L222 HydrophobicContact CD1-CD2 4.36Å; L200-L222 HydrophobicContact CD1-CG 3.68Å; L200-L222 HydrophobicContact CD2-CD1 3.61Å; L200-L222 HydrophobicContact CD2-CG 3.98Å; L200-L222 HydrophobicContact CG-CD1 4.08Å; L200-L222 HydrophobicContact CG-CG 3.89Å |
| 223 | C | 84.4 | Confident | 68.3 | Low | 45 Ų | 45 | 78.1 Ų | 78.1 | 30% | 0.304 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 141.6 | -176.9 | -51.2 | 0 | 0 | 0 | 0 | 112.5 | C221 F227 H228 C232 | C221-C223 PolarHBondContact O-N 3.29Å; C221-C223 VanDerWaalsContact O-N 3.17Å; C223-F227 HydrophobicContact CB-CB 4.2Å; C223-F227 WeakPolarHBondContact CB-O 3.02Å; C223-H228 VanDerWaalsContact SG-CA 3.59Å; C223-C232 WeakPolarHBondContact CA-SG 3.48Å; C223-C232 HydrophobicContact CB-CB 3.78Å; C223-C232 WeakPolarHBondContact CB-SG 3.46Å; C223-C232 PolarHBondContact N-SG 3.44Å; C223-C232 VanDerWaalsContact N-SG 3.42Å; C223-C232 WeakPolarHBondContact SG-CA 3.19Å; C223-C232 WeakPolarHBondContact SG-CB 3.34Å; C223-C232 CovalentContact SG-SG 2.03Å; C223-C232 PolarHBondContact SG-SG 3.08Å |
| 224 | P | 78.1 | Confident | 70.7 | Confident | 50 Ų | 50 | 74 Ų | 74 | 33% | 0.325 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 159.4 | 170.5 | 32.2 | -31.3 | 0 | 0 | 0 | 109.6 | N195 G226 F227 | N195-P224 WeakPolarHBondContact O-CG 3.48Å; P224-G226 PolarHBondContact O-N 2.84Å; P224-F227 HydrophobicContact CG-CD2 4.22Å; P224-F227 PolarHBondContact O-N 3.29Å |
| 225 | E | 72.3 | Confident | 72 | Confident | 199 Ų | 199 | 67.8 Ų | 67.8 | 93% | 0.93 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.1 | 126.5 | -175.6 | -69.9 | -170.5 | 159.1 | 0 | 0 | 112.8 | ||
| 226 | G | 66.5 | Low | 73.2 | Confident | 21 Ų | 21 | 66.2 Ų | 66.2 | 22% | 0.216 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | 10 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | P224 K235 I236 | P224-G226 PolarHBondContact O-N 2.84Å; G226-K235 CarbonylContact O-C 3.57Å; G226-K235 WeakPolarHBondContact O-CA 3.47Å; G226-K235 VanDerWaalsContact O-CG 3.28Å; G226-K235 WeakPolarHBondContact O-CG 3.44Å; G226-I236 PolarHBondContact O-N 2.82Å |
| 227 | F | 79.2 | Confident | 73.6 | Confident | 42 Ų | 42 | 66 Ų | 66 | 18% | 0.184 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 153.1 | 170.2 | -65.3 | -90.1 | 0 | 0 | 0 | 112.3 | N195 C223 P224 T234 K235 | N195-F227 HydrophobicContact CB-CD1 3.68Å; N195-F227 HydrophobicContact CB-CD2 4.23Å; N195-F227 HydrophobicContact CB-CE1 3.73Å; N195-F227 HydrophobicContact CB-CE2 4.28Å; N195-F227 HydrophobicContact CB-CG 3.93Å; N195-F227 HydrophobicContact CB-CZ 4.03Å; N195-F227 VanDerWaalsContact CG-CD1 3.49Å; N195-F227 VanDerWaalsContact ND2-CD1 3.33Å; N195-F227 WeakPolarHBondContact ND2-CD1 3.35Å; N195-F227 WeakPolarHBondContact ND2-CE1 3.35Å; C223-F227 HydrophobicContact CB-CB 4.2Å; C223-F227 WeakPolarHBondContact CB-O 3.02Å; P224-F227 HydrophobicContact CG-CD2 4.22Å; P224-F227 PolarHBondContact O-N 3.29Å; F227-T234 CarbonylContact C-O 3.6Å; F227-T234 WeakPolarHBondContact CA-O 3.45Å; F227-K235 HydrophobicContact CD1-CB 3.96Å; F227-K235 HydrophobicContact CD1-CG 4.25Å; F227-K235 HydrophobicContact CE1-CB 3.74Å; F227-K235 HydrophobicContact CE1-CD 4.23Å; F227-K235 HydrophobicContact CE1-CG 3.87Å; F227-K235 HydrophobicContact CZ-CB 4.47Å; F227-K235 HydrophobicContact CZ-CD 4.15Å; F227-K235 HydrophobicContact CZ-CG 4.12Å |
| 228 | H | 78.3 | Confident | 73 | Confident | 90 Ų | 90 | 68.6 Ų | 68.6 | 42% | 0.417 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 176.5 | 177.7 | 72 | -57.3 | 0 | 0 | 0 | 110.6 | C223 C232 E233 T234 I236 | C223-H228 VanDerWaalsContact SG-CA 3.59Å; H228-C232 CarbonylContact O-C 3.5Å; H228-C232 WeakPolarHBondContact O-CA 3.43Å; H228-E233 PolarHBondContact O-N 3.45Å; H228-T234 WeakPolarHBondContact CE1-CG2 3.39Å; H228-T234 PolarHBondContact N-O 3.22Å; H228-T234 PolarHBondContact ND1-O 3.38Å; H228-T234 WeakPolarHBondContact O-CA 3.45Å; H228-T234 VanDerWaalsContact O-CB 3.31Å; H228-T234 WeakPolarHBondContact O-CB 3.04Å; H228-T234 PolarHBondContact O-N 3.19Å; H228-I236 HydrophobicContact CB-CG1 4.14Å; H228-I236 WeakPolarHBondContact ND1-CG1 3.36Å |
| 229 | G | 75.9 | Confident | 72 | Confident | 31 Ų | 31 | 69.2 Ų | 69.2 | 32% | 0.32 | 36% | 0.361 | S | S | . | . | S | Bend | trans | 103.2 | 162.7 | -174 | 0 | 0 | 0 | 0 | 0 | 112 | F231 C232 E233 | G229-F231 PolarHBondContact O-N 2.88Å; G229-C232 PolarHBondContact O-N 2.86Å; G229-E233 VanDerWaalsContact C-OE2 3.31Å; G229-E233 WeakPolarHBondContact CA-OE1 3.17Å |
| 230 | K | 78.6 | Confident | 70.6 | Confident | 94 Ų | 94 | 69.9 Ų | 69.9 | 41% | 0.409 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -27.3 | -171.9 | 172.4 | 172 | 168 | 170.5 | 0 | 113.4 | D217 F219 C221 E233 | D217-K230 VanDerWaalsContact CG-CE 3.48Å; D217-K230 WeakPolarHBondContact OD1-CE 3.07Å; D217-K230 IonicContact OD1-NZ 3.47Å; D217-K230 PolarHBondContact OD1-NZ 2.79Å; D217-K230 VanDerWaalsContact OD2-CE 3.23Å; D217-K230 WeakPolarHBondContact OD2-CE 3.28Å; D217-K230 IonicContact OD2-NZ 2.66Å; D217-K230 PolarHBondContact OD2-NZ 3.25Å; F219-K230 HydrophobicContact CE2-CG 4.4Å; F219-K230 HydrophobicContact CZ-CG 4.45Å; C221-K230 PolarHBondContact SG-O 2.89Å; K230-E233 PolarHBondContact N-OE2 2.95Å |
| 231 | F | 83.8 | Confident | 69.3 | Low | 75 Ų | 75 | 69.3 Ų | 69.3 | 33% | 0.329 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | 16.8 | 175.4 | -54.7 | -83.7 | 0 | 0 | 0 | 111.2 | L192 L194 F219 G229 E233 | L192-F231 HydrophobicContact CD2-CE1 4.39Å; L192-F231 HydrophobicContact CG-CD1 4.12Å; L192-F231 HydrophobicContact CG-CE1 3.96Å; L192-F231 WeakPolarHBondContact O-CD1 3.09Å; L194-F231 WeakPolarHBondContact CB-O 3.5Å; L194-F231 HydrophobicContact CG-CB 4.46Å; L194-F231 PolarHBondContact N-O 3.32Å; F219-F231 AromaticContact CE2-CD1 3.92Å; F219-F231 HydrophobicContact CE2-CD1 3.92Å; F219-F231 AromaticContact CE2-CE1 3.71Å; F219-F231 HydrophobicContact CE2-CE1 3.71Å; F219-F231 HydrophobicContact CZ-CD1 4.08Å; F219-F231 AromaticContact CZ-CE1 3.38Å; F219-F231 HydrophobicContact CZ-CE1 3.38Å; F219-F231 AromaticContact CZ-CZ 3.92Å; F219-F231 HydrophobicContact CZ-CZ 3.92Å; G229-F231 PolarHBondContact O-N 2.88Å; F231-E233 VanDerWaalsContact C-OE2 3.27Å; F231-E233 VanDerWaalsContact CA-OE2 3.28Å; F231-E233 WeakPolarHBondContact CA-OE2 3Å; F231-E233 WeakPolarHBondContact CB-OE2 3.43Å; F231-E233 PolarHBondContact N-OE2 3.03Å; F231-E233 PolarHBondContact O-N 3.31Å; F231-E233 VanDerWaalsContact O-N 3.12Å |
| 232 | C | 84.6 | Confident | 67.7 | Low | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 39% | 0.394 | C | S | . | . | S | Bend | trans | 50.5 | 28.7 | -169.3 | -59.1 | 0 | 0 | 0 | 0 | 114.6 | N195 A197 C221 C223 H228 G229 T234 | N195-C232 PolarHBondContact ND2-O 3.08Å; A197-C232 HydrophobicContact CB-CB 3.34Å; A197-C232 WeakPolarHBondContact CB-SG 3.08Å; C221-C232 HydrophobicContact CB-CB 4.48Å; C221-C232 WeakPolarHBondContact CB-SG 3.36Å; C221-C232 PolarHBondContact O-SG 3.47Å; C221-C232 VanDerWaalsContact O-SG 3.36Å; C223-C232 WeakPolarHBondContact CA-SG 3.48Å; C223-C232 HydrophobicContact CB-CB 3.78Å; C223-C232 WeakPolarHBondContact CB-SG 3.46Å; C223-C232 PolarHBondContact N-SG 3.44Å; C223-C232 VanDerWaalsContact N-SG 3.42Å; C223-C232 WeakPolarHBondContact SG-CA 3.19Å; C223-C232 WeakPolarHBondContact SG-CB 3.34Å; C223-C232 CovalentContact SG-SG 2.03Å; C223-C232 PolarHBondContact SG-SG 3.08Å; H228-C232 CarbonylContact O-C 3.5Å; H228-C232 WeakPolarHBondContact O-CA 3.43Å; G229-C232 PolarHBondContact O-N 2.86Å; C232-T234 VanDerWaalsContact C-N 3.32Å; C232-T234 PolarHBondContact O-N 3.29Å |
| 233 | E | 80.5 | Confident | 66.1 | Low | 69 Ų | 69 | 76.7 Ų | 76.7 | 32% | 0.322 | 40% | 0.4 | S | S | . | . | trans | -71 | -25.4 | -174.1 | 71 | -71.1 | 170.3 | 0 | 0 | 113.3 | L194 H228 G229 K230 F231 | L194-E233 HydrophobicContact CD1-CB 3.88Å; H228-E233 PolarHBondContact O-N 3.45Å; G229-E233 VanDerWaalsContact C-OE2 3.31Å; G229-E233 WeakPolarHBondContact CA-OE1 3.17Å; K230-E233 PolarHBondContact N-OE2 2.95Å; F231-E233 VanDerWaalsContact C-OE2 3.27Å; F231-E233 VanDerWaalsContact CA-OE2 3.28Å; F231-E233 WeakPolarHBondContact CA-OE2 3Å; F231-E233 WeakPolarHBondContact CB-OE2 3.43Å; F231-E233 PolarHBondContact N-OE2 3.03Å; F231-E233 PolarHBondContact O-N 3.31Å; F231-E233 VanDerWaalsContact O-N 3.12Å | ||
| 234 | T | 75.5 | Confident | 64.7 | Low | 60 Ų | 60 | 76.4 Ų | 76.4 | 37% | 0.368 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 111 | -168.8 | -50.7 | 0 | 0 | 0 | 0 | 111 | F227 H228 C232 I236 | F227-T234 CarbonylContact C-O 3.6Å; F227-T234 WeakPolarHBondContact CA-O 3.45Å; H228-T234 WeakPolarHBondContact CE1-CG2 3.39Å; H228-T234 PolarHBondContact N-O 3.22Å; H228-T234 PolarHBondContact ND1-O 3.38Å; H228-T234 WeakPolarHBondContact O-CA 3.45Å; H228-T234 VanDerWaalsContact O-CB 3.31Å; H228-T234 WeakPolarHBondContact O-CB 3.04Å; H228-T234 PolarHBondContact O-N 3.19Å; C232-T234 VanDerWaalsContact C-N 3.32Å; C232-T234 PolarHBondContact O-N 3.29Å; T234-I236 PolarHBondContact O-N 3.11Å |
| 235 | K | 58.4 | Low | 63.7 | Low | 72 Ų | 72 | 79.4 Ų | 79.4 | 31% | 0.313 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 128.9 | 171.2 | -164.4 | 170.2 | -174 | 164.6 | 0 | 109.6 | G226 F227 I237 E2620 L2623 | G226-K235 CarbonylContact O-C 3.57Å; G226-K235 WeakPolarHBondContact O-CA 3.47Å; G226-K235 VanDerWaalsContact O-CG 3.28Å; G226-K235 WeakPolarHBondContact O-CG 3.44Å; F227-K235 HydrophobicContact CD1-CB 3.96Å; F227-K235 HydrophobicContact CD1-CG 4.25Å; F227-K235 HydrophobicContact CE1-CB 3.74Å; F227-K235 HydrophobicContact CE1-CD 4.23Å; F227-K235 HydrophobicContact CE1-CG 3.87Å; F227-K235 HydrophobicContact CZ-CB 4.47Å; F227-K235 HydrophobicContact CZ-CD 4.15Å; F227-K235 HydrophobicContact CZ-CG 4.12Å; K235-I237 PolarHBondContact O-N 2.66Å; K235-E2620 IonicContact NZ-OE1 3.96Å; K235-E2620 PolarHBondContact NZ-OE1 2.9Å; K235-L2623 HydrophobicContact CB-CD2 4.41Å |
| 236 | I | 59.1 | Low | 63.4 | Low | 46 Ų | 46 | 70.9 Ų | 70.9 | 24% | 0.236 | 38% | 0.375 | C | S | . | . | trans | -64.6 | 124.2 | 179.5 | -55.6 | 170.7 | 0 | 0 | 0 | 108.7 | G226 H228 T234 Y240 | G226-I236 PolarHBondContact O-N 2.82Å; H228-I236 HydrophobicContact CB-CG1 4.14Å; H228-I236 WeakPolarHBondContact ND1-CG1 3.36Å; T234-I236 PolarHBondContact O-N 3.11Å; I236-Y240 WeakPolarHBondContact CD1-OH 3.28Å; I236-Y240 HydrophobicContact CG2-CE2 3.61Å | ||
| 237 | I | 47.5 | Very low | 63.3 | Low | 158 Ų | 158 | 74.6 Ų | 74.6 | 81% | 0.81 | 39% | 0.387 | S | S | * | . | trans | -103.4 | 113.7 | 170.6 | -60.7 | 177.3 | 0 | 0 | 0 | 105.8 | K235 N239 | K235-I237 PolarHBondContact O-N 2.66Å; I237-N239 PolarHBondContact O-N 2.98Å | ||
| 238 | H | 40.9 | Very low | 62.6 | Low | 107 Ų | 107 | 75.9 Ų | 75.9 | 50% | 0.495 | 40% | 0.396 | S | S | . | . | trans | -52.7 | 126 | -164.9 | -86.1 | -111.5 | 0 | 0 | 0 | 114.9 | Y240 | H238-Y240 HydrophobicContact CB-CD2 3.87Å; H238-Y240 HydrophobicContact CB-CE2 4.11Å; H238-Y240 AromaticContact CD2-CE2 3.67Å; H238-Y240 AromaticContact CE1-CD2 3.57Å; H238-Y240 AromaticContact CE1-CE2 3.33Å; H238-Y240 WeakPolarHBondContact CE1-CE2 3.4Å; H238-Y240 AromaticContact CE1-CZ 3.79Å; H238-Y240 AromaticContact CG-CD2 3.46Å; H238-Y240 VanDerWaalsContact CG-CD2 3.46Å; H238-Y240 AromaticContact CG-CE2 3.42Å; H238-Y240 VanDerWaalsContact CG-CE2 3.42Å; H238-Y240 AromaticContact ND1-CD2 3.04Å; H238-Y240 WeakPolarHBondContact ND1-CD2 3.33Å; H238-Y240 AromaticContact ND1-CE2 3.23Å; H238-Y240 WeakPolarHBondContact ND1-CE2 3.27Å; H238-Y240 AromaticContact ND1-CG 3.79Å; H238-Y240 AromaticContact NE2-CE2 3.64Å | ||
| 239 | N | 43.3 | Very low | 61.7 | Low | 103 Ų | 103 | 74.3 Ų | 74.3 | 55% | 0.551 | 40% | 0.403 | S | S | * | . | trans | -150.7 | 83.4 | 148.3 | -178.9 | 6.4 | 0 | 0 | 0 | 107.1 | I237 I254 E260 | I237-N239 PolarHBondContact O-N 2.98Å; N239-I254 WeakPolarHBondContact OD1-CD1 3.18Å; N239-E260 WeakPolarHBondContact CA-OE1 3.49Å | ||
| 240 | Y | 45.2 | Very low | 61.8 | Low | 39 Ų | 39 | 73.4 Ų | 73.4 | 15% | 0.153 | 39% | 0.394 | C | S | . | . | trans | -95.1 | 12.4 | -164.6 | -85.9 | -111.8 | 0 | 0 | 0 | 114.7 | I236 H238 T242 E243 I244 E260 | I236-Y240 WeakPolarHBondContact CD1-OH 3.28Å; I236-Y240 HydrophobicContact CG2-CE2 3.61Å; H238-Y240 HydrophobicContact CB-CD2 3.87Å; H238-Y240 HydrophobicContact CB-CE2 4.11Å; H238-Y240 AromaticContact CD2-CE2 3.67Å; H238-Y240 AromaticContact CE1-CD2 3.57Å; H238-Y240 AromaticContact CE1-CE2 3.33Å; H238-Y240 WeakPolarHBondContact CE1-CE2 3.4Å; H238-Y240 AromaticContact CE1-CZ 3.79Å; H238-Y240 AromaticContact CG-CD2 3.46Å; H238-Y240 VanDerWaalsContact CG-CD2 3.46Å; H238-Y240 AromaticContact CG-CE2 3.42Å; H238-Y240 VanDerWaalsContact CG-CE2 3.42Å; H238-Y240 AromaticContact ND1-CD2 3.04Å; H238-Y240 WeakPolarHBondContact ND1-CD2 3.33Å; H238-Y240 AromaticContact ND1-CE2 3.23Å; H238-Y240 WeakPolarHBondContact ND1-CE2 3.27Å; H238-Y240 AromaticContact ND1-CG 3.79Å; H238-Y240 AromaticContact NE2-CE2 3.64Å; Y240-T242 PolarHBondContact O-N 3.36Å; Y240-E243 HydrophobicContact CD1-CB 4.1Å; Y240-E243 HydrophobicContact CD1-CG 4.28Å; Y240-E243 VanDerWaalsContact CD1-OE2 3.27Å; Y240-E243 WeakPolarHBondContact CD1-OE2 3.16Å; Y240-E243 WeakPolarHBondContact CE1-OE2 3.38Å; Y240-E243 PolarHBondContact O-N 2.89Å; Y240-I244 PolarHBondContact O-N 2.8Å; Y240-E260 WeakPolarHBondContact CA-OE2 3.23Å; Y240-E260 WeakPolarHBondContact CB-OE2 3.49Å; Y240-E260 PolarHBondContact N-OE1 3.21Å; Y240-E260 PolarHBondContact N-OE2 2.8Å | ||
| 241 | C | 54.2 | Low | 61.7 | Low | 48 Ų | 48 | 75.3 Ų | 75.3 | 32% | 0.324 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 7.2 | 171.2 | -66.5 | 0 | 0 | 0 | 0 | 114.4 | C252 E260 | C241-C252 WeakPolarHBondContact CA-SG 3.38Å; C241-C252 HydrophobicContact CB-CB 3.76Å; C241-C252 WeakPolarHBondContact CB-SG 3.3Å; C241-C252 WeakPolarHBondContact SG-CB 3.46Å; C241-C252 CovalentContact SG-SG 2.05Å; C241-C252 PolarHBondContact SG-SG 3.18Å; C241-E260 PolarHBondContact N-OE2 3.32Å |
| 242 | T | 52.7 | Low | 61.4 | Low | 126 Ų | 126 | 73.3 Ų | 73.3 | 77% | 0.773 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -19.7 | 166.9 | 49.7 | 0 | 0 | 0 | 0 | 114 | Y240 | Y240-T242 PolarHBondContact O-N 3.36Š|
| 243 | E | 49.4 | Very low | 60.7 | Low | 135 Ų | 135 | 75.7 Ų | 75.7 | 63% | 0.631 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | -32.5 | 177 | -69.2 | -178.8 | -158.1 | 0 | 0 | 111.8 | Y240 V245 | Y240-E243 HydrophobicContact CD1-CB 4.1Å; Y240-E243 HydrophobicContact CD1-CG 4.28Å; Y240-E243 VanDerWaalsContact CD1-OE2 3.27Å; Y240-E243 WeakPolarHBondContact CD1-OE2 3.16Å; Y240-E243 WeakPolarHBondContact CE1-OE2 3.38Å; Y240-E243 PolarHBondContact O-N 2.89Å; E243-V245 PolarHBondContact O-N 3.17Å; E243-V245 VanDerWaalsContact O-N 3.13Å |
| 244 | I | 54.1 | Low | 59.8 | Low | 40 Ų | 40 | 76.6 Ų | 76.6 | 21% | 0.205 | 42% | 0.418 | C | S | . | . | trans | -82.5 | 89.6 | 173.3 | -59.8 | 177.5 | 0 | 0 | 0 | 109.4 | Y240 C246 E260 Y272 | Y240-I244 PolarHBondContact O-N 2.8Å; I244-C246 PolarHBondContact O-N 2.88Å; I244-E260 HydrophobicContact CD1-CB 4.25Å; I244-Y272 HydrophobicContact CG1-CE1 4.44Å; I244-Y272 HydrophobicContact CG2-CD1 3.61Å; I244-Y272 HydrophobicContact CG2-CE1 3.84Å | ||
| 245 | V | 58.7 | Low | 58.8 | Low | 113 Ų | 113 | 77.6 Ų | 77.6 | 69% | 0.685 | 42% | 0.421 | S | S | * | . | trans | -73.7 | 95.5 | 167.9 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | E243 Q247 | E243-V245 PolarHBondContact O-N 3.17Å; E243-V245 VanDerWaalsContact O-N 3.13Å; V245-Q247 PolarHBondContact O-N 3.35Å; V245-Q247 VanDerWaalsContact O-N 3.12Å | ||
| 246 | C | 65.1 | Low | 58 | Low | 20 Ų | 20 | 83.1 Ų | 83.1 | 14% | 0.135 | 45% | 0.454 | C | S | . | . | trans | -61.4 | 112.3 | 167.9 | -61 | 0 | 0 | 0 | 0 | 109.8 | I244 G250 C262 Y272 | I244-C246 PolarHBondContact O-N 2.88Å; C246-G250 WeakPolarHBondContact CB-O 3.33Å; C246-C262 WeakPolarHBondContact CA-SG 3.4Å; C246-C262 HydrophobicContact CB-CB 3.78Å; C246-C262 WeakPolarHBondContact CB-SG 3.47Å; C246-C262 WeakPolarHBondContact SG-CB 3.49Å; C246-C262 CovalentContact SG-SG 2.03Å; C246-C262 PolarHBondContact SG-SG 3.15Å; C246-Y272 CarbonylContact C-O 3.48Å | ||
| 247 | Q | 64.4 | Low | 57 | Low | 98 Ų | 98 | 86.7 Ų | 86.7 | 46% | 0.458 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -72.1 | 167.4 | -179.4 | -58 | -171.5 | 2.3 | 0 | 0 | 111.3 | V245 G249 G250 Y272 C273 | V245-Q247 PolarHBondContact O-N 3.35Å; V245-Q247 VanDerWaalsContact O-N 3.12Å; Q247-G249 PolarHBondContact O-N 2.96Å; Q247-G250 PolarHBondContact O-N 3.02Å; Q247-Y272 PolarHBondContact N-O 3.23Å; Q247-C273 WeakPolarHBondContact O-CB 3.34Å |
| 248 | N | 64.1 | Low | 56.8 | Low | 70 Ų | 70 | 81 Ų | 81 | 37% | 0.374 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 37.3 | 171.8 | -56.5 | -45.9 | 0 | 0 | 0 | 114.5 | G250 L265 Y268 C273 | N248-G250 VanDerWaalsContact C-N 3.3Å; N248-G250 PolarHBondContact O-N 3.15Å; N248-L265 WeakPolarHBondContact O-CD1 3.49Å; N248-Y268 HydrophobicContact CB-CD1 3.53Å; N248-Y268 HydrophobicContact CB-CD2 3.82Å; N248-Y268 HydrophobicContact CB-CE1 3.71Å; N248-Y268 HydrophobicContact CB-CE2 3.99Å; N248-Y268 HydrophobicContact CB-CG 3.6Å; N248-Y268 VanDerWaalsContact CG-CE1 3.46Å; N248-Y268 WeakPolarHBondContact ND2-CD1 3.31Å; N248-C273 PolarHBondContact ND2-O 2.87Å |
| 249 | G | 60.3 | Low | 57.1 | Low | 56 Ų | 56 | 83 Ų | 83 | 58% | 0.577 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 16.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q247 | Q247-G249 PolarHBondContact O-N 2.96Š|
| 250 | G | 76.7 | Confident | 57.6 | Low | 13 Ų | 13 | 79.5 Ų | 79.5 | 13% | 0.134 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 146.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | C246 Q247 N248 T263 | C246-G250 WeakPolarHBondContact CB-O 3.33Å; Q247-G250 PolarHBondContact O-N 3.02Å; N248-G250 VanDerWaalsContact C-N 3.3Å; N248-G250 PolarHBondContact O-N 3.15Å; G250-T263 WeakPolarHBondContact CA-O 3.16Å |
| 251 | Q | 77.4 | Confident | 58.8 | Low | 134 Ų | 134 | 82.3 Ų | 82.3 | 63% | 0.626 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 125.2 | -179.2 | -171.6 | 172.2 | 7.3 | 0 | 0 | 110.4 | N253 C262 T263 | Q251-N253 PolarHBondContact O-ND2 3.22Å; Q251-C262 CarbonylContact O-C 3.26Å; Q251-C262 WeakPolarHBondContact O-CA 3.38Å; Q251-T263 PolarHBondContact N-O 3.39Å; Q251-T263 PolarHBondContact O-N 3.44Å; Q251-T263 PolarHBondContact O-OG1 2.83Å |
| 252 | C | 77.4 | Confident | 59.8 | Low | 32 Ų | 32 | 80.5 Ų | 80.5 | 22% | 0.216 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 131 | 176.8 | -172.9 | 0 | 0 | 0 | 0 | 110.8 | C241 | C241-C252 WeakPolarHBondContact CA-SG 3.38Å; C241-C252 HydrophobicContact CB-CB 3.76Å; C241-C252 WeakPolarHBondContact CB-SG 3.3Å; C241-C252 WeakPolarHBondContact SG-CB 3.46Å; C241-C252 CovalentContact SG-SG 2.05Å; C241-C252 PolarHBondContact SG-SG 3.18Å |
| 253 | N | 70 | Confident | 61 | Low | 50 Ų | 50 | 77 Ų | 77 | 27% | 0.267 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 136.4 | 177.5 | -63.9 | -92.1 | 0 | 0 | 0 | 110.9 | Q251 E260 Y261 T263 | Q251-N253 PolarHBondContact O-ND2 3.22Å; N253-E260 VanDerWaalsContact O-CA 3.3Å; N253-E260 WeakPolarHBondContact O-CA 3.44Å; N253-Y261 HydrophobicContact CB-CD1 4.21Å; N253-Y261 HydrophobicContact CB-CE1 3.74Å; N253-Y261 PolarHBondContact N-O 3.48Å; N253-Y261 PolarHBondContact O-N 3.09Å; N253-T263 WeakPolarHBondContact ND2-CG2 3.31Å; N253-T263 PolarHBondContact ND2-OG1 2.92Å |
| 254 | I | 61.8 | Low | 62.4 | Low | 88 Ų | 88 | 72.7 Ų | 72.7 | 45% | 0.451 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 130.9 | 178 | -44.1 | 171.7 | 0 | 0 | 0 | 108.8 | N239 E260 | N239-I254 WeakPolarHBondContact OD1-CD1 3.18Å; I254-E260 HydrophobicContact CB-CG 4.26Å; I254-E260 HydrophobicContact CG1-CG 4.08Å; I254-E260 HydrophobicContact CG2-CG 4.01Å |
| 255 | L | 53.9 | Low | 63.2 | Low | 82 Ų | 82 | 75.6 Ų | 75.6 | 43% | 0.429 | 42% | 0.418 | S | S | . | . | trans | -95.4 | 154.1 | 172.9 | -64.6 | 168.5 | 0 | 0 | 0 | 111.1 | N257 G258 K259 Y261 | L255-N257 WeakPolarHBondContact CB-OD1 3.37Å; L255-N257 PolarHBondContact O-N 3.37Å; L255-G258 PolarHBondContact O-N 2.97Å; L255-K259 WeakPolarHBondContact CB-O 3.25Å; L255-K259 PolarHBondContact N-O 3.11Å; L255-Y261 HydrophobicContact CD1-CD1 3.97Å; L255-Y261 HydrophobicContact CD1-CE1 4.01Å; L255-Y261 HydrophobicContact CD2-CE1 3.86Å; L255-Y261 HydrophobicContact CG-CD1 4.04Å; L255-Y261 HydrophobicContact CG-CE1 3.82Å | ||
| 256 | D | 42.2 | Very low | 63.1 | Low | 188 Ų | 188 | 79.2 Ų | 79.2 | 100% | 1.005 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -2.6 | -178 | -67.6 | -44.5 | 0 | 0 | 0 | 115.7 | ||
| 257 | N | 37.1 | Very low | 62.6 | Low | 120 Ų | 120 | 82.6 Ų | 82.6 | 64% | 0.642 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | 13.8 | 177.9 | 61.1 | 4.3 | 0 | 0 | 0 | 113.7 | L255 K259 | L255-N257 WeakPolarHBondContact CB-OD1 3.37Å; L255-N257 PolarHBondContact O-N 3.37Å; N257-K259 VanDerWaalsContact C-N 3.3Å; N257-K259 PolarHBondContact O-N 3.25Å; N257-K259 PolarHBondContact OD1-N 3.06Å |
| 258 | G | 44.8 | Very low | 63 | Low | 38 Ų | 38 | 80.9 Ų | 80.9 | 39% | 0.392 | 43% | 0.431 | S | S | . | . | S | Bend | trans | 71.1 | 22.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L255 | L255-G258 PolarHBondContact O-N 2.97Š|
| 259 | K | 46.4 | Very low | 63.4 | Low | 150 Ų | 150 | 81.1 Ų | 81.1 | 65% | 0.652 | 43% | 0.43 | S | S | * | . | trans | -105.4 | 139.4 | 167.2 | -74.7 | -158.3 | 169.7 | -160.1 | 0 | 110.5 | L255 N257 | L255-K259 WeakPolarHBondContact CB-O 3.25Å; L255-K259 PolarHBondContact N-O 3.11Å; N257-K259 VanDerWaalsContact C-N 3.3Å; N257-K259 PolarHBondContact O-N 3.25Å; N257-K259 PolarHBondContact OD1-N 3.06Å | ||
| 260 | E | 53.6 | Low | 63.8 | Low | 29 Ų | 29 | 79.9 Ų | 79.9 | 14% | 0.136 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 146.1 | -173.4 | -63.4 | 173.6 | -142.7 | 0 | 0 | 109.3 | N239 Y240 C241 I244 N253 I254 | N239-E260 WeakPolarHBondContact CA-OE1 3.49Å; Y240-E260 WeakPolarHBondContact CA-OE2 3.23Å; Y240-E260 WeakPolarHBondContact CB-OE2 3.49Å; Y240-E260 PolarHBondContact N-OE1 3.21Å; Y240-E260 PolarHBondContact N-OE2 2.8Å; C241-E260 PolarHBondContact N-OE2 3.32Å; I244-E260 HydrophobicContact CD1-CB 4.25Å; N253-E260 VanDerWaalsContact O-CA 3.3Å; N253-E260 WeakPolarHBondContact O-CA 3.44Å; I254-E260 HydrophobicContact CB-CG 4.26Å; I254-E260 HydrophobicContact CG1-CG 4.08Å; I254-E260 HydrophobicContact CG2-CG 4.01Å |
| 261 | Y | 71.7 | Confident | 63.3 | Low | 98 Ų | 98 | 84.8 Ų | 84.8 | 38% | 0.384 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 149.7 | -179.6 | 75.8 | -74.4 | 0 | 0 | 0 | 111.7 | N253 L255 T263 | N253-Y261 HydrophobicContact CB-CD1 4.21Å; N253-Y261 HydrophobicContact CB-CE1 3.74Å; N253-Y261 PolarHBondContact N-O 3.48Å; N253-Y261 PolarHBondContact O-N 3.09Å; L255-Y261 HydrophobicContact CD1-CD1 3.97Å; L255-Y261 HydrophobicContact CD1-CE1 4.01Å; L255-Y261 HydrophobicContact CD2-CE1 3.86Å; L255-Y261 HydrophobicContact CG-CD1 4.04Å; L255-Y261 HydrophobicContact CG-CE1 3.82Å; Y261-T263 HydrophobicContact CD2-CG2 4.32Å; Y261-T263 HydrophobicContact CE2-CG2 3.5Å |
| 262 | C | 75 | Confident | 63.1 | Low | 11 Ų | 11 | 83.4 Ų | 83.4 | 7% | 0.074 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 131 | 174.9 | -59.9 | 0 | 0 | 0 | 0 | 110.8 | C246 Q251 C273 | C246-C262 WeakPolarHBondContact CA-SG 3.4Å; C246-C262 HydrophobicContact CB-CB 3.78Å; C246-C262 WeakPolarHBondContact CB-SG 3.47Å; C246-C262 WeakPolarHBondContact SG-CB 3.49Å; C246-C262 CovalentContact SG-SG 2.03Å; C246-C262 PolarHBondContact SG-SG 3.15Å; Q251-C262 CarbonylContact O-C 3.26Å; Q251-C262 WeakPolarHBondContact O-CA 3.38Å; C262-C273 WeakPolarHBondContact CB-SG 3.49Å |
| 263 | T | 77.3 | Confident | 63.1 | Low | 53 Ų | 53 | 81.9 Ų | 81.9 | 33% | 0.325 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 113.6 | 162.8 | 50 | 0 | 0 | 0 | 0 | 109.2 | G250 Q251 N253 Y261 | G250-T263 WeakPolarHBondContact CA-O 3.16Å; Q251-T263 PolarHBondContact N-O 3.39Å; Q251-T263 PolarHBondContact O-N 3.44Å; Q251-T263 PolarHBondContact O-OG1 2.83Å; N253-T263 WeakPolarHBondContact ND2-CG2 3.31Å; N253-T263 PolarHBondContact ND2-OG1 2.92Å; Y261-T263 HydrophobicContact CD2-CG2 4.32Å; Y261-T263 HydrophobicContact CE2-CG2 3.5Å |
| 264 | C | 79 | Confident | 62.9 | Low | 44 Ų | 44 | 83.1 Ų | 83.1 | 30% | 0.297 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -80.5 | 152.5 | -171.6 | -50.5 | 0 | 0 | 0 | 0 | 113.7 | Y268 C273 | C264-Y268 WeakPolarHBondContact CB-O 3.42Å; C264-C273 WeakPolarHBondContact CA-SG 3.48Å; C264-C273 HydrophobicContact CB-CB 3.67Å; C264-C273 WeakPolarHBondContact CB-SG 3.36Å; C264-C273 PolarHBondContact N-SG 3.24Å; C264-C273 WeakPolarHBondContact SG-CA 3.35Å; C264-C273 WeakPolarHBondContact SG-CB 3.33Å; C264-C273 CovalentContact SG-SG 2.03Å; C264-C273 PolarHBondContact SG-SG 3.13Å |
| 265 | L | 71.5 | Confident | 63 | Low | 100 Ų | 100 | 82.5 Ų | 82.5 | 52% | 0.524 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 158.1 | 165.2 | -70.7 | -179.1 | 0 | 0 | 0 | 110.5 | N248 N267 Y268 | N248-L265 WeakPolarHBondContact O-CD1 3.49Å; L265-N267 PolarHBondContact O-N 3.2Å; L265-Y268 HydrophobicContact CB-CD2 4.35Å; L265-Y268 PolarHBondContact O-N 2.92Å |
| 266 | K | 56.3 | Low | 62.9 | Low | 190 Ų | 190 | 84.4 Ų | 84.4 | 83% | 0.826 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 135.8 | -178.9 | -160 | -177.9 | -179.3 | -169.6 | 0 | 110.1 | ||
| 267 | N | 55 | Low | 63 | Low | 90 Ų | 90 | 81 Ų | 81 | 48% | 0.481 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | -1.5 | -169 | -50.7 | 11.2 | 0 | 0 | 0 | 115.3 | L265 E276 E277 | L265-N267 PolarHBondContact O-N 3.2Å; N267-E276 CarbonylContact O-C 3.07Å; N267-E276 WeakPolarHBondContact O-CA 3.35Å; N267-E277 PolarHBondContact O-N 3.37Å |
| 268 | Y | 71.7 | Confident | 63 | Low | 62 Ų | 62 | 81.9 Ų | 81.9 | 24% | 0.243 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 144.3 | 172.7 | -64.1 | -78.7 | 0 | 0 | 0 | 112.2 | N248 C264 L265 I275 E276 | N248-Y268 HydrophobicContact CB-CD1 3.53Å; N248-Y268 HydrophobicContact CB-CD2 3.82Å; N248-Y268 HydrophobicContact CB-CE1 3.71Å; N248-Y268 HydrophobicContact CB-CE2 3.99Å; N248-Y268 HydrophobicContact CB-CG 3.6Å; N248-Y268 VanDerWaalsContact CG-CE1 3.46Å; N248-Y268 WeakPolarHBondContact ND2-CD1 3.31Å; C264-Y268 WeakPolarHBondContact CB-O 3.42Å; L265-Y268 HydrophobicContact CB-CD2 4.35Å; L265-Y268 PolarHBondContact O-N 2.92Å; Y268-I275 CarbonylContact C-O 3.06Å; Y268-I275 WeakPolarHBondContact CA-O 3.47Å; Y268-E276 HydrophobicContact CD1-CB 3.94Å; Y268-E276 HydrophobicContact CD1-CG 4.01Å; Y268-E276 HydrophobicContact CE1-CB 3.6Å; Y268-E276 HydrophobicContact CE1-CG 3.48Å; Y268-E276 VanDerWaalsContact CE1-CG 3.48Å; Y268-E276 WeakPolarHBondContact CE1-OE2 3.15Å; Y268-E276 VanDerWaalsContact CZ-OE2 3.25Å; Y268-E276 PolarHBondContact OH-OE2 2.72Å |
| 269 | H | 73.2 | Confident | 62.2 | Low | 75 Ų | 75 | 89 Ų | 89 | 35% | 0.347 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | -173.8 | 179.1 | 67.6 | -64.9 | 0 | 0 | 0 | 110.3 | C273 E274 I275 | H269-C273 CarbonylContact O-C 3.07Å; H269-C273 VanDerWaalsContact O-C 3.25Å; H269-C273 VanDerWaalsContact O-CA 3.29Å; H269-C273 WeakPolarHBondContact O-CA 3.06Å; H269-E274 PolarHBondContact O-N 3.03Å; H269-I275 WeakPolarHBondContact CE1-CG2 3.14Å; H269-I275 PolarHBondContact N-O 3.06Å; H269-I275 PolarHBondContact ND1-O 3.11Å; H269-I275 WeakPolarHBondContact O-CB 3.49Å; H269-I275 PolarHBondContact O-N 3.47Å |
| 270 | G | 68.2 | Low | 61.3 | Low | 31 Ų | 31 | 91.2 Ų | 91.2 | 32% | 0.32 | 45% | 0.446 | S | S | . | . | S | Bend | trans | 101.3 | 177.5 | -166.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y272 E274 | G270-Y272 VanDerWaalsContact C-N 3.34Å; G270-E274 VanDerWaalsContact CA-OE1 3.28Å; G270-E274 WeakPolarHBondContact CA-OE1 3.11Å; G270-E274 WeakPolarHBondContact CA-OE2 3.44Å |
| 271 | L | 66.8 | Low | 60 | Low | 115 Ų | 115 | 96.7 Ų | 96.7 | 60% | 0.602 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -77.8 | -26.8 | -176.8 | -167.2 | 66.6 | 0 | 0 | 0 | 112.1 | E274 | L271-E274 PolarHBondContact N-OE1 3.05Å; L271-E274 VanDerWaalsContact N-OE1 3.12Å; L271-E274 PolarHBondContact N-OE2 3.25Å; L271-E274 VanDerWaalsContact N-OE2 3.08Å |
| 272 | Y | 73.5 | Confident | 57.8 | Low | 106 Ų | 106 | 100.3 Ų | 100.3 | 42% | 0.416 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -120 | 13 | -178.2 | -50.3 | -55.5 | 0 | 0 | 0 | 112.2 | I244 C246 Q247 G270 E274 | I244-Y272 HydrophobicContact CG1-CE1 4.44Å; I244-Y272 HydrophobicContact CG2-CD1 3.61Å; I244-Y272 HydrophobicContact CG2-CE1 3.84Å; C246-Y272 CarbonylContact C-O 3.48Å; Q247-Y272 PolarHBondContact N-O 3.23Å; G270-Y272 VanDerWaalsContact C-N 3.34Å; Y272-E274 VanDerWaalsContact C-N 3.28Å; Y272-E274 VanDerWaalsContact CA-OE2 3.25Å; Y272-E274 WeakPolarHBondContact CA-OE2 3.44Å; Y272-E274 WeakPolarHBondContact CB-OE2 3.36Å; Y272-E274 PolarHBondContact N-OE2 3.06Å; Y272-E274 PolarHBondContact O-N 3.37Å |
| 273 | C | 76.3 | Confident | 55.5 | Low | 0 Ų | 0 | 108.1 Ų | 108.1 | 0% | 0 | 53% | 0.533 | C | S | . | . | S | Bend | trans | 65.2 | 27.1 | -175.5 | -50.1 | 0 | 0 | 0 | 0 | 114.7 | Q247 N248 C262 C264 H269 | Q247-C273 WeakPolarHBondContact O-CB 3.34Å; N248-C273 PolarHBondContact ND2-O 2.87Å; C262-C273 WeakPolarHBondContact CB-SG 3.49Å; C264-C273 WeakPolarHBondContact CA-SG 3.48Å; C264-C273 HydrophobicContact CB-CB 3.67Å; C264-C273 WeakPolarHBondContact CB-SG 3.36Å; C264-C273 PolarHBondContact N-SG 3.24Å; C264-C273 WeakPolarHBondContact SG-CA 3.35Å; C264-C273 WeakPolarHBondContact SG-CB 3.33Å; C264-C273 CovalentContact SG-SG 2.03Å; C264-C273 PolarHBondContact SG-SG 3.13Å; H269-C273 CarbonylContact O-C 3.07Å; H269-C273 VanDerWaalsContact O-C 3.25Å; H269-C273 VanDerWaalsContact O-CA 3.29Å; H269-C273 WeakPolarHBondContact O-CA 3.06Å |
| 274 | E | 66.6 | Low | 53.1 | Low | 75 Ų | 75 | 109.1 Ų | 109.1 | 35% | 0.35 | 54% | 0.539 | S | S | . | . | trans | -77.2 | -13.1 | -175.6 | 71.8 | -74.2 | -177.6 | 0 | 0 | 114.9 | H269 G270 L271 Y272 | H269-E274 PolarHBondContact O-N 3.03Å; G270-E274 VanDerWaalsContact CA-OE1 3.28Å; G270-E274 WeakPolarHBondContact CA-OE1 3.11Å; G270-E274 WeakPolarHBondContact CA-OE2 3.44Å; L271-E274 PolarHBondContact N-OE1 3.05Å; L271-E274 VanDerWaalsContact N-OE1 3.12Å; L271-E274 PolarHBondContact N-OE2 3.25Å; L271-E274 VanDerWaalsContact N-OE2 3.08Å; Y272-E274 VanDerWaalsContact C-N 3.28Å; Y272-E274 VanDerWaalsContact CA-OE2 3.25Å; Y272-E274 WeakPolarHBondContact CA-OE2 3.44Å; Y272-E274 WeakPolarHBondContact CB-OE2 3.36Å; Y272-E274 PolarHBondContact N-OE2 3.06Å; Y272-E274 PolarHBondContact O-N 3.37Å | ||
| 275 | I | 63.2 | Low | 50.6 | Low | 75 Ų | 75 | 115 Ų | 115 | 39% | 0.385 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.3 | 120.7 | -171.7 | -38.3 | 175.3 | 0 | 0 | 0 | 110.8 | Y268 H269 | Y268-I275 CarbonylContact C-O 3.06Å; Y268-I275 WeakPolarHBondContact CA-O 3.47Å; H269-I275 WeakPolarHBondContact CE1-CG2 3.14Å; H269-I275 PolarHBondContact N-O 3.06Å; H269-I275 PolarHBondContact ND1-O 3.11Å; H269-I275 WeakPolarHBondContact O-CB 3.49Å; H269-I275 PolarHBondContact O-N 3.47Å |
| 276 | E | 52.6 | Low | 48.4 | Very low | 122 Ų | 122 | 117.9 Ų | 117.9 | 57% | 0.57 | 57% | 0.574 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.7 | 144.1 | 172.7 | -159.2 | 165.5 | 155.8 | 0 | 0 | 111.7 | N267 Y268 | N267-E276 CarbonylContact O-C 3.07Å; N267-E276 WeakPolarHBondContact O-CA 3.35Å; Y268-E276 HydrophobicContact CD1-CB 3.94Å; Y268-E276 HydrophobicContact CD1-CG 4.01Å; Y268-E276 HydrophobicContact CE1-CB 3.6Å; Y268-E276 HydrophobicContact CE1-CG 3.48Å; Y268-E276 VanDerWaalsContact CE1-CG 3.48Å; Y268-E276 WeakPolarHBondContact CE1-OE2 3.15Å; Y268-E276 VanDerWaalsContact CZ-OE2 3.25Å; Y268-E276 PolarHBondContact OH-OE2 2.72Å |
| 277 | E | 43.9 | Very low | 46.9 | Very low | 116 Ų | 116 | 115.9 Ų | 115.9 | 54% | 0.542 | 57% | 0.566 | S | S | . | * | trans | -101.3 | 85 | -170.1 | -162.2 | 175.3 | -145.2 | 0 | 0 | 113.5 | N267 | N267-E277 PolarHBondContact O-N 3.37Š| ||
| 278 | N | 36.1 | Very low | 45.5 | Very low | 139 Ų | 139 | 121.2 Ų | 121.2 | 74% | 0.743 | 58% | 0.579 | S | S | * | * | trans | 59.8 | 127.3 | 156.7 | -61.9 | -45.2 | 0 | 0 | 0 | 121.4 | ||||
| 279 | E | 28.6 | Very low | 43.1 | Very low | 189 Ų | 189 | 123.6 Ų | 123.6 | 88% | 0.883 | 60% | 0.601 | S | S | * | * | -174.5 | 136.9 | 100 | -92.4 | 174 | -172.7 | 0 | 0 | 106.8 | |||||
| 280 | E | 26.9 | Very low | 40.8 | Very low | 195 Ų | 195 | 127 Ų | 127 | 91% | 0.911 | 62% | 0.617 | S | S | * | * | cis | -126.9 | 135.6 | 36 | -55.2 | 177.4 | 119.7 | 0 | 0 | 114.8 | ||||
| 281 | E | 26.2 | Very low | 38.7 | Very low | 145 Ų | 145 | 132.3 Ų | 132.3 | 68% | 0.678 | 63% | 0.631 | S | S | * | * | trans | -84.8 | 131.3 | 142.5 | -84.2 | -164 | 118.5 | 0 | 0 | 108.4 | ||||
| 282 | Q | 27.1 | Very low | 36.8 | Very low | 174 Ų | 174 | 133 Ų | 133 | 81% | 0.813 | 64% | 0.635 | S | S | * | * | -179.9 | 100 | 127.5 | -100 | 154.5 | 93.8 | 0 | 0 | 115.1 | |||||
| 283 | N | 26.4 | Very low | 34.5 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 93% | 0.93 | 65% | 0.652 | S | S | * | * | -153.8 | 114.2 | 119.5 | -114.1 | -48.1 | 0 | 0 | 0 | 110 | |||||
| 284 | T | 26.7 | Very low | 32.1 | Very low | 75 Ų | 75 | 142 Ų | 142 | 46% | 0.46 | 69% | 0.686 | S | S | . | * | trans | -117.7 | 140.8 | -162.8 | 60.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 285 | K | 26.2 | Very low | 30.2 | Very low | 168 Ų | 168 | 146.4 Ų | 146.4 | 73% | 0.73 | 71% | 0.706 | S | S | * | * | trans | 59.8 | 123.7 | 144.4 | -63.5 | 155.7 | -173.6 | 147.3 | 0 | 117.9 | ||||
| 286 | L | 25.5 | Very low | 28.4 | Very low | 159 Ų | 159 | 150.5 Ų | 150.5 | 83% | 0.832 | 73% | 0.725 | S | S | * | * | trans | -141.1 | 105.3 | 135.1 | -142 | 77.5 | 0 | 0 | 0 | 113.9 | ||||
| 287 | F | 25.3 | Very low | 27 | Very low | 149 Ų | 149 | 151.9 Ų | 151.9 | 65% | 0.654 | 73% | 0.732 | S | S | * | * | trans | 38.4 | 139.9 | 135.5 | -68 | -129.2 | 0 | 0 | 0 | 119.5 | ||||
| 288 | R | 23.6 | Very low | 26.3 | Very low | 201 Ų | 201 | 152.6 Ų | 152.6 | 76% | 0.758 | 74% | 0.744 | S | S | * | * | cis | -170.6 | 153.6 | 7.2 | -124.5 | -174.8 | -169.6 | 159.8 | 1.1 | 112.2 | ||||
| 289 | T | 22.1 | Very low | 26 | Very low | 112 Ų | 112 | 153.5 Ų | 153.5 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | trans | 8.4 | 143.7 | 139 | 63.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 290 | E | 25.1 | Very low | 26.4 | Very low | 146 Ų | 146 | 148.8 Ų | 148.8 | 68% | 0.682 | 72% | 0.723 | S | S | * | * | -164.6 | 153.5 | 55.7 | -89.1 | -157.2 | 144.3 | 0 | 0 | 116.3 | |||||
| 291 | K | 24.4 | Very low | 27.3 | Very low | 143 Ų | 143 | 142 Ų | 142 | 62% | 0.622 | 70% | 0.696 | S | S | * | * | trans | 72.1 | 121.1 | 139.8 | -76.2 | -170.5 | -176.6 | 84.1 | 0 | 125.2 | ||||
| 292 | D | 26 | Very low | 28.3 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 69% | 0.69 | 70% | 0.7 | S | S | * | * | 96 | 125.6 | 122.8 | -66.6 | -1.6 | 0 | 0 | 0 | 123.9 | |||||
| 293 | Q | 25.6 | Very low | 29.3 | Very low | 167 Ų | 167 | 142.7 Ų | 142.7 | 78% | 0.78 | 70% | 0.695 | S | S | * | * | trans | 90.5 | 104.8 | 151.6 | -70.5 | 173 | 31.4 | 0 | 0 | 122.7 | ||||
| 294 | N | 25.1 | Very low | 30.5 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 70% | 0.695 | 66% | 0.657 | S | S | * | * | trans | 80.3 | 135.1 | 134.4 | -62.2 | 12.7 | 0 | 0 | 0 | 122.8 | ||||
| 295 | E | 27.5 | Very low | 31.8 | Very low | 167 Ų | 167 | 135.4 Ų | 135.4 | 78% | 0.78 | 66% | 0.658 | S | S | * | * | trans | 59.9 | 112.7 | 157.2 | -69.7 | 153.1 | -140.3 | 0 | 0 | 117.2 | ||||
| 296 | M | 24.5 | Very low | 33.6 | Very low | 160 Ų | 160 | 128.8 Ų | 128.8 | 79% | 0.788 | 63% | 0.632 | S | S | * | * | 61.2 | 126 | 73.8 | -71.6 | 175.7 | 156.4 | 0 | 0 | 112.9 | |||||
| 297 | E | 25.1 | Very low | 35.3 | Very low | 151 Ų | 151 | 125.9 Ų | 125.9 | 71% | 0.706 | 61% | 0.613 | S | S | * | * | cis | -158 | 179.5 | -0.3 | -129.9 | 164 | -146.7 | 0 | 0 | 110.1 | ||||
| 298 | T | 28.4 | Very low | 36.7 | Very low | 132 Ų | 132 | 122.2 Ų | 122.2 | 81% | 0.81 | 60% | 0.6 | S | S | * | * | trans | 66.8 | 101.6 | -178 | 64.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 299 | F | 28.7 | Very low | 38.6 | Very low | 157 Ų | 157 | 119.7 Ų | 119.7 | 69% | 0.689 | 60% | 0.602 | S | S | * | * | trans | -156 | 87.2 | 168.2 | -98.1 | -73.4 | 0 | 0 | 0 | 111.6 | F302 | F299-F302 HydrophobicContact CD1-CB 4.31Å; F299-F302 AromaticContact CD1-CD2 3.58Å; F299-F302 HydrophobicContact CD1-CD2 3.58Å; F299-F302 HydrophobicContact CD1-CE2 4.13Å; F299-F302 HydrophobicContact CD1-CG 4.06Å; F299-F302 AromaticContact CE1-CD2 3.59Å; F299-F302 HydrophobicContact CE1-CD2 3.59Å; F299-F302 AromaticContact CE1-CE2 3.63Å; F299-F302 HydrophobicContact CE1-CE2 3.63Å; F299-F302 HydrophobicContact CE1-CG 4.36Å; F299-F302 HydrophobicContact CE1-CZ 4.43Å | ||
| 300 | D | 37.1 | Very low | 40.7 | Very low | 91 Ų | 91 | 114.8 Ų | 114.8 | 49% | 0.487 | 57% | 0.574 | S | S | . | * | trans | -129.3 | 59.7 | 162.4 | -86.5 | -51.7 | 0 | 0 | 0 | 110.7 | K303 T339 | D300-K303 IonicContact OD1-NZ 2.67Å; D300-K303 PolarHBondContact OD1-NZ 3.15Å; D300-T339 WeakPolarHBondContact O-CG2 3Å | ||
| 301 | C | 46.5 | Very low | 43 | Very low | 51 Ų | 51 | 111.8 Ų | 111.8 | 35% | 0.345 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -132.6 | 21.4 | 154.4 | -80.6 | 0 | 0 | 0 | 0 | 110.5 | C312 | C301-C312 VanDerWaalsContact CA-SG 3.55Å; C301-C312 HydrophobicContact CB-CB 3.69Å; C301-C312 WeakPolarHBondContact CB-SG 3.38Å; C301-C312 WeakPolarHBondContact SG-CB 3Å; C301-C312 CovalentContact SG-SG 2.04Å; C301-C312 PolarHBondContact SG-SG 3.11Å |
| 302 | F | 48.2 | Very low | 45.1 | Very low | 172 Ų | 172 | 106.5 Ų | 106.5 | 75% | 0.754 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -116.4 | 6.3 | -171.9 | -114 | -104.5 | 0 | 0 | 0 | 113.9 | F299 | F299-F302 HydrophobicContact CD1-CB 4.31Å; F299-F302 AromaticContact CD1-CD2 3.58Å; F299-F302 HydrophobicContact CD1-CD2 3.58Å; F299-F302 HydrophobicContact CD1-CE2 4.13Å; F299-F302 HydrophobicContact CD1-CG 4.06Å; F299-F302 AromaticContact CE1-CD2 3.59Å; F299-F302 HydrophobicContact CE1-CD2 3.59Å; F299-F302 AromaticContact CE1-CE2 3.63Å; F299-F302 HydrophobicContact CE1-CE2 3.63Å; F299-F302 HydrophobicContact CE1-CG 4.36Å; F299-F302 HydrophobicContact CE1-CZ 4.43Å |
| 303 | K | 47.7 | Very low | 46.7 | Very low | 163 Ų | 163 | 105.3 Ų | 105.3 | 71% | 0.709 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -116.5 | -18.6 | 173.4 | -64.2 | 179.3 | -164.5 | 123.4 | 0 | 113.3 | D300 | D300-K303 IonicContact OD1-NZ 2.67Å; D300-K303 PolarHBondContact OD1-NZ 3.15Å |
| 304 | T | 51 | Low | 47.9 | Very low | 22 Ų | 22 | 101.4 Ų | 101.4 | 14% | 0.135 | 52% | 0.524 | C | S | . | . | S | Bend | trans | -118.9 | 94.3 | 178.2 | 48.7 | 0 | 0 | 0 | 0 | 108.7 | C306 T339 Y351 | T304-C306 PolarHBondContact O-N 3.49Å; T304-T339 WeakPolarHBondContact CG2-OG1 3.32Å; T304-T339 PolarHBondContact OG1-OG1 3.06Å; T304-Y351 HydrophobicContact CG2-CE1 3.72Å |
| 305 | P | 54.9 | Low | 48.5 | Very low | 74 Ų | 74 | 101.6 Ų | 101.6 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | trans | -70.4 | 113.6 | -178.8 | 27.9 | -32.8 | 0 | 0 | 0 | 110.1 | F307 | P305-F307 HydrophobicContact CB-CE1 4.39Å; P305-F307 HydrophobicContact CB-CE2 4.45Å; P305-F307 HydrophobicContact CB-CZ 4.12Å; P305-F307 HydrophobicContact CG-CE1 4.4Å; P305-F307 HydrophobicContact CG-CE2 4Å; P305-F307 HydrophobicContact CG-CZ 3.69Å; P305-F307 VanDerWaalsContact O-CD2 3.31Å; P305-F307 WeakPolarHBondContact O-CD2 3.34Å; P305-F307 VanDerWaalsContact O-CE2 3.31Å; P305-F307 WeakPolarHBondContact O-CE2 3.35Å; P305-F307 PolarHBondContact O-N 3.37Å | ||
| 306 | C | 62.8 | Low | 48.8 | Very low | 29 Ų | 29 | 96.8 Ų | 96.8 | 20% | 0.196 | 52% | 0.519 | C | S | . | . | trans | -75.9 | 114.7 | 166.4 | -57.5 | 0 | 0 | 0 | 0 | 109.1 | T304 G310 C312 C341 Y351 | T304-C306 PolarHBondContact O-N 3.49Å; C306-G310 WeakPolarHBondContact CB-O 3.26Å; C306-C312 WeakPolarHBondContact SG-CA 3.36Å; C306-C312 WeakPolarHBondContact SG-CB 3.4Å; C306-C341 WeakPolarHBondContact CA-SG 2.96Å; C306-C341 HydrophobicContact CB-CB 3.67Å; C306-C341 WeakPolarHBondContact CB-SG 3.28Å; C306-C341 VanDerWaalsContact SG-CA 3.58Å; C306-C341 WeakPolarHBondContact SG-CB 3.47Å; C306-C341 CovalentContact SG-SG 2.02Å; C306-C341 PolarHBondContact SG-SG 2.6Å; C306-Y351 CarbonylContact C-O 3.49Å; C306-Y351 WeakPolarHBondContact CA-O 3.18Å | ||
| 307 | F | 61 | Low | 49.2 | Very low | 98 Ų | 98 | 92.4 Ų | 92.4 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | trans | -78 | 171.8 | 177.9 | -59.4 | -79.3 | 0 | 0 | 0 | 111 | P305 N309 G310 Y351 C352 E353 | P305-F307 HydrophobicContact CB-CE1 4.39Å; P305-F307 HydrophobicContact CB-CE2 4.45Å; P305-F307 HydrophobicContact CB-CZ 4.12Å; P305-F307 HydrophobicContact CG-CE1 4.4Å; P305-F307 HydrophobicContact CG-CE2 4Å; P305-F307 HydrophobicContact CG-CZ 3.69Å; P305-F307 VanDerWaalsContact O-CD2 3.31Å; P305-F307 WeakPolarHBondContact O-CD2 3.34Å; P305-F307 VanDerWaalsContact O-CE2 3.31Å; P305-F307 WeakPolarHBondContact O-CE2 3.35Å; P305-F307 PolarHBondContact O-N 3.37Å; F307-N309 PolarHBondContact O-N 3.39Å; F307-G310 PolarHBondContact O-N 3.45Å; F307-Y351 PolarHBondContact N-O 2.79Å; F307-C352 WeakPolarHBondContact O-CB 3.28Å; F307-E353 HydrophobicContact CD2-CB 3.91Å | ||
| 308 | N | 56.6 | Low | 49.3 | Very low | 71 Ų | 71 | 93 Ų | 93 | 38% | 0.38 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 32.6 | 171.5 | -59.2 | -45.4 | 0 | 0 | 0 | 115.7 | G310 F347 C352 | N308-G310 VanDerWaalsContact C-N 3.26Å; N308-G310 PolarHBondContact O-N 3.22Å; N308-F347 HydrophobicContact CB-CB 4.39Å; N308-F347 HydrophobicContact CB-CD1 3.39Å; N308-F347 HydrophobicContact CB-CD2 4.03Å; N308-F347 HydrophobicContact CB-CE1 3.51Å; N308-F347 HydrophobicContact CB-CE2 4.14Å; N308-F347 HydrophobicContact CB-CG 3.66Å; N308-F347 HydrophobicContact CB-CZ 3.9Å; N308-F347 VanDerWaalsContact CG-CD1 3.42Å; N308-F347 WeakPolarHBondContact ND2-CD1 3.26Å; N308-C352 PolarHBondContact ND2-O 3.34Å |
| 309 | N | 61.6 | Low | 49.2 | Very low | 149 Ų | 149 | 91.6 Ų | 91.6 | 80% | 0.797 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 28.4 | -174.1 | -68.5 | -4.6 | 0 | 0 | 0 | 114.9 | F307 | F307-N309 PolarHBondContact O-N 3.39Š|
| 310 | G | 66.7 | Low | 49 | Very low | 9 Ų | 9 | 91.5 Ų | 91.5 | 9% | 0.093 | 52% | 0.524 | C | S | . | . | trans | -62 | 133.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | C306 F307 N308 C312 H342 | C306-G310 WeakPolarHBondContact CB-O 3.26Å; F307-G310 PolarHBondContact O-N 3.45Å; N308-G310 VanDerWaalsContact C-N 3.26Å; N308-G310 PolarHBondContact O-N 3.22Å; G310-C312 PolarHBondContact O-N 2.86Å; G310-H342 CarbonylContact C-O 3.53Å; G310-H342 VanDerWaalsContact CA-O 3.29Å; G310-H342 WeakPolarHBondContact CA-O 3.49Å | ||
| 311 | T | 73.9 | Confident | 48.4 | Very low | 83 Ų | 83 | 92.6 Ų | 92.6 | 51% | 0.509 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 111.3 | 177 | 44.1 | 0 | 0 | 0 | 0 | 110 | H313 H342 | T311-H313 PolarHBondContact O-N 3.05Å; T311-H342 PolarHBondContact N-O 2.04Å; T311-H342 WeakPolarHBondContact O-CB 3.35Å; T311-H342 PolarHBondContact O-N 3.46Å; T311-H342 PolarHBondContact OG1-O 2.76Å |
| 312 | C | 68.9 | Low | 47.5 | Very low | 32 Ų | 32 | 95 Ų | 95 | 22% | 0.216 | 56% | 0.556 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -56.4 | 126.4 | 171.1 | 178.8 | 0 | 0 | 0 | 0 | 110.9 | C301 C306 G310 | C301-C312 VanDerWaalsContact CA-SG 3.55Å; C301-C312 HydrophobicContact CB-CB 3.69Å; C301-C312 WeakPolarHBondContact CB-SG 3.38Å; C301-C312 WeakPolarHBondContact SG-CB 3Å; C301-C312 CovalentContact SG-SG 2.04Å; C301-C312 PolarHBondContact SG-SG 3.11Å; C306-C312 WeakPolarHBondContact SG-CA 3.36Å; C306-C312 WeakPolarHBondContact SG-CB 3.4Å; G310-C312 PolarHBondContact O-N 2.86Å |
| 313 | H | 59 | Low | 46.6 | Very low | 104 Ų | 104 | 92.8 Ų | 92.8 | 48% | 0.481 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.4 | 133.6 | 172.6 | -99.8 | -107.1 | 0 | 0 | 0 | 110.7 | T311 F340 | T311-H313 PolarHBondContact O-N 3.05Å; H313-F340 HydrophobicContact CB-CD1 4.06Å; H313-F340 HydrophobicContact CB-CE1 3.42Å; H313-F340 VanDerWaalsContact CB-CE1 3.42Å; H313-F340 HydrophobicContact CB-CZ 3.76Å; H313-F340 PolarHBondContact N-O 3.46Å; H313-F340 WeakPolarHBondContact O-CD1 3.46Å; H313-F340 PolarHBondContact O-N 3Å; H313-F340 VanDerWaalsContact O-N 3.11Å |
| 314 | V | 50.5 | Low | 45.7 | Very low | 85 Ų | 85 | 92.6 Ų | 92.6 | 52% | 0.515 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.7 | 117.2 | 165.4 | -174 | 0 | 0 | 0 | 0 | 106.7 | G316 T339 | V314-G316 PolarHBondContact O-N 3.27Å; V314-T339 HydrophobicContact CG2-CG2 4.17Å |
| 315 | L | 37.5 | Very low | 44.5 | Very low | 134 Ų | 134 | 95.1 Ų | 95.1 | 70% | 0.702 | 58% | 0.584 | S | S | * | * | trans | -80.9 | 86.1 | -175.6 | -127 | 172 | 0 | 0 | 0 | 111.1 | F340 | L315-F340 HydrophobicContact CB-CD1 4.34Å; L315-F340 HydrophobicContact CB-CE1 4.08Å; L315-F340 HydrophobicContact CD1-CD1 4.13Å; L315-F340 HydrophobicContact CD1-CE1 3.68Å; L315-F340 HydrophobicContact CD1-CZ 4.21Å; L315-F340 HydrophobicContact CG-CD1 4.34Å; L315-F340 HydrophobicContact CG-CE1 3.69Å; L315-F340 HydrophobicContact CG-CZ 4.43Å | ||
| 316 | G | 35.3 | Very low | 43.1 | Very low | 66 Ų | 66 | 98.6 Ų | 98.6 | 68% | 0.68 | 60% | 0.598 | S | S | * | * | trans | -123.8 | 108.5 | 169 | 0 | 0 | 0 | 0 | 0 | 110.9 | V314 | V314-G316 PolarHBondContact O-N 3.27Š| ||
| 317 | G | 31.5 | Very low | 41.3 | Very low | 68 Ų | 68 | 103.3 Ų | 103.3 | 70% | 0.701 | 63% | 0.626 | S | S | * | * | trans | -60.8 | 164.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 318 | I | 27.9 | Very low | 39.6 | Very low | 162 Ų | 162 | 104.5 Ų | 104.5 | 83% | 0.831 | 64% | 0.641 | S | S | * | * | cis | -145.5 | 147.8 | 38.4 | -37.9 | 179.1 | 0 | 0 | 0 | 111.7 | ||||
| 319 | S | 25.4 | Very low | 38.2 | Very low | 104 Ų | 104 | 107.4 Ų | 107.4 | 73% | 0.727 | 66% | 0.662 | S | S | * | * | trans | 67.1 | 119.8 | 154.9 | 55.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 320 | N | 24.6 | Very low | 36.6 | Very low | 155 Ų | 155 | 106 Ų | 106 | 83% | 0.829 | 66% | 0.658 | S | S | * | * | S | Bend | trans | 9.8 | 100.9 | 152.4 | -59.4 | 5.1 | 0 | 0 | 0 | 119.5 | ||
| 321 | S | 24.9 | Very low | 34.6 | Very low | 113 Ų | 113 | 114.3 Ų | 114.3 | 79% | 0.79 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 58 | 134.8 | 147.8 | 64.5 | 0 | 0 | 0 | 0 | 122.5 | ||
| 322 | S | 27.8 | Very low | 32.5 | Very low | 103 Ų | 103 | 116.2 Ų | 116.2 | 72% | 0.72 | 70% | 0.699 | S | S | * | * | trans | 77.2 | 64.2 | 160.6 | 62.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 323 | T | 29.7 | Very low | 30.4 | Very low | 124 Ų | 124 | 121.1 Ų | 121.1 | 76% | 0.761 | 72% | 0.723 | S | S | * | * | 64.8 | 120.9 | 123.7 | 48.3 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 324 | I | 27.4 | Very low | 28.9 | Very low | 159 Ų | 159 | 124.3 Ų | 124.3 | 82% | 0.815 | 74% | 0.744 | S | S | * | * | trans | 97.9 | 96.3 | 130.5 | -67.7 | 168.7 | 0 | 0 | 0 | 120.5 | ||||
| 325 | A | 26.1 | Very low | 27.8 | Very low | 75 Ų | 75 | 123.7 Ų | 123.7 | 62% | 0.62 | 76% | 0.755 | S | S | * | * | 106.4 | 108.1 | 118.4 | 0 | 0 | 0 | 0 | 0 | 125 | |||||
| 326 | I | 25 | Very low | 27.5 | Very low | 148 Ų | 148 | 125 Ų | 125 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | 70.9 | 111.8 | 125.6 | -55.4 | 166.1 | 0 | 0 | 0 | 120.7 | |||||
| 327 | T | 27 | Very low | 27.2 | Very low | 128 Ų | 128 | 127 Ų | 127 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | -165.7 | 89.4 | 115.1 | 11.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 328 | T | 24 | Very low | 27.3 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | trans | 32.9 | 107.3 | 146.5 | 55.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 329 | T | 27.4 | Very low | 28.3 | Very low | 133 Ų | 133 | 120.8 Ų | 120.8 | 82% | 0.816 | 73% | 0.725 | S | S | * | * | trans | -175.5 | 145.1 | 143.8 | 19.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 330 | T | 28.3 | Very low | 29.8 | Very low | 118 Ų | 118 | 118.7 Ų | 118.7 | 72% | 0.724 | 70% | 0.704 | S | S | * | * | cis | -163 | 119.7 | -32.1 | 11.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 331 | F | 25.4 | Very low | 32.1 | Very low | 184 Ų | 184 | 111.8 Ų | 111.8 | 81% | 0.807 | 67% | 0.667 | S | S | * | * | trans | 61.2 | 121.9 | 149.4 | -84.9 | -104.8 | 0 | 0 | 0 | 124.1 | ||||
| 332 | N | 27.9 | Very low | 34.4 | Very low | 123 Ų | 123 | 112 Ų | 112 | 66% | 0.658 | 66% | 0.655 | S | S | * | * | trans | 74 | 120.9 | 149.8 | -63.7 | -2.1 | 0 | 0 | 0 | 119.4 | ||||
| 333 | N | 26.3 | Very low | 36.7 | Very low | 135 Ų | 135 | 108.7 Ų | 108.7 | 72% | 0.722 | 63% | 0.632 | S | S | * | * | cis | 96.5 | 107.2 | 33.8 | -70.1 | 8.1 | 0 | 0 | 0 | 113.3 | ||||
| 334 | N | 26.4 | Very low | 38.4 | Very low | 171 Ų | 171 | 109.1 Ų | 109.1 | 91% | 0.914 | 62% | 0.623 | S | S | * | * | -179.3 | 124.8 | 112.8 | -89.3 | -2.8 | 0 | 0 | 0 | 109.1 | |||||
| 335 | G | 27.5 | Very low | 39.8 | Very low | 73 Ų | 73 | 106.8 Ų | 106.8 | 75% | 0.753 | 62% | 0.618 | S | S | * | * | S | Bend | trans | 156.8 | 93.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 336 | N | 30.8 | Very low | 41.2 | Very low | 162 Ų | 162 | 103.9 Ų | 103.9 | 87% | 0.866 | 60% | 0.596 | S | S | * | * | trans | 40.9 | 75.7 | 160.8 | -61 | -4.1 | 0 | 0 | 0 | 118.5 | S338 | N336-S338 PolarHBondContact O-N 3.3Å; N336-S338 VanDerWaalsContact O-N 3.11Å | ||
| 337 | S | 29.1 | Very low | 43.3 | Very low | 107 Ų | 107 | 99.4 Ų | 99.4 | 75% | 0.748 | 57% | 0.571 | S | S | * | * | trans | -74.9 | 87.4 | 158.5 | 56.7 | 0 | 0 | 0 | 0 | 110.9 | T339 | S337-T339 PolarHBondContact O-N 2.61Š| ||
| 338 | S | 34.9 | Very low | 45 | Very low | 75 Ų | 75 | 95 Ų | 95 | 52% | 0.524 | 55% | 0.545 | S | S | . | . | trans | -77.6 | 95.7 | 171.2 | 43.3 | 0 | 0 | 0 | 0 | 111.2 | N336 F340 | N336-S338 PolarHBondContact O-N 3.3Å; N336-S338 VanDerWaalsContact O-N 3.11Å; S338-F340 PolarHBondContact O-N 2.81Å | ||
| 339 | T | 48.1 | Very low | 47 | Very low | 24 Ų | 24 | 90.8 Ų | 90.8 | 15% | 0.147 | 53% | 0.526 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 117.4 | 158.8 | 41.2 | 0 | 0 | 0 | 0 | 108.9 | D300 T304 V314 S337 | D300-T339 WeakPolarHBondContact O-CG2 3Å; T304-T339 WeakPolarHBondContact CG2-OG1 3.32Å; T304-T339 PolarHBondContact OG1-OG1 3.06Å; V314-T339 HydrophobicContact CG2-CG2 4.17Å; S337-T339 PolarHBondContact O-N 2.61Å |
| 340 | F | 57.5 | Low | 48.8 | Very low | 61 Ų | 61 | 89.6 Ų | 89.6 | 27% | 0.268 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 152 | 177.3 | 81.6 | -72.9 | 0 | 0 | 0 | 110.4 | H313 L315 S338 H342 | H313-F340 HydrophobicContact CB-CD1 4.06Å; H313-F340 HydrophobicContact CB-CE1 3.42Å; H313-F340 VanDerWaalsContact CB-CE1 3.42Å; H313-F340 HydrophobicContact CB-CZ 3.76Å; H313-F340 PolarHBondContact N-O 3.46Å; H313-F340 WeakPolarHBondContact O-CD1 3.46Å; H313-F340 PolarHBondContact O-N 3Å; H313-F340 VanDerWaalsContact O-N 3.11Å; L315-F340 HydrophobicContact CB-CD1 4.34Å; L315-F340 HydrophobicContact CB-CE1 4.08Å; L315-F340 HydrophobicContact CD1-CD1 4.13Å; L315-F340 HydrophobicContact CD1-CE1 3.68Å; L315-F340 HydrophobicContact CD1-CZ 4.21Å; L315-F340 HydrophobicContact CG-CD1 4.34Å; L315-F340 HydrophobicContact CG-CE1 3.69Å; L315-F340 HydrophobicContact CG-CZ 4.43Å; S338-F340 PolarHBondContact O-N 2.81Å; F340-H342 HydrophobicContact CE2-CB 4.38Å; F340-H342 AromaticContact CE2-ND1 3.88Å |
| 341 | C | 72.8 | Confident | 50.8 | Low | 10 Ų | 10 | 88 Ų | 88 | 7% | 0.068 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 122.8 | -179.6 | -62.5 | 0 | 0 | 0 | 0 | 110 | C306 C352 | C306-C341 WeakPolarHBondContact CA-SG 2.96Å; C306-C341 HydrophobicContact CB-CB 3.67Å; C306-C341 WeakPolarHBondContact CB-SG 3.28Å; C306-C341 VanDerWaalsContact SG-CA 3.58Å; C306-C341 WeakPolarHBondContact SG-CB 3.47Å; C306-C341 CovalentContact SG-SG 2.02Å; C306-C341 PolarHBondContact SG-SG 2.6Å; C341-C352 HydrophobicContact CB-CB 4.45Å; C341-C352 WeakPolarHBondContact CB-SG 3.41Å |
| 342 | H | 74.2 | Confident | 53.1 | Low | 116 Ų | 116 | 79.3 Ų | 79.3 | 54% | 0.537 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 108.3 | 175.3 | -155.9 | 74.5 | 0 | 0 | 0 | 108.9 | G310 T311 F340 | G310-H342 CarbonylContact C-O 3.53Å; G310-H342 VanDerWaalsContact CA-O 3.29Å; G310-H342 WeakPolarHBondContact CA-O 3.49Å; T311-H342 PolarHBondContact N-O 2.04Å; T311-H342 WeakPolarHBondContact O-CB 3.35Å; T311-H342 PolarHBondContact O-N 3.46Å; T311-H342 PolarHBondContact OG1-O 2.76Å; F340-H342 HydrophobicContact CE2-CB 4.38Å; F340-H342 AromaticContact CE2-ND1 3.88Å |
| 343 | C | 74.3 | Confident | 54.8 | Low | 34 Ų | 34 | 77.2 Ų | 77.2 | 23% | 0.23 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -80.8 | 145.8 | -166.6 | -51.2 | 0 | 0 | 0 | 0 | 112.8 | F347 C352 | C343-F347 HydrophobicContact CB-CB 4.17Å; C343-F347 WeakPolarHBondContact CB-O 3.43Å; C343-C352 WeakPolarHBondContact CA-SG 3.38Å; C343-C352 HydrophobicContact CB-CB 3.82Å; C343-C352 WeakPolarHBondContact CB-SG 3.19Å; C343-C352 PolarHBondContact N-SG 2.79Å; C343-C352 VanDerWaalsContact N-SG 3.43Å; C343-C352 WeakPolarHBondContact SG-CA 3.46Å; C343-C352 WeakPolarHBondContact SG-CB 3.47Å; C343-C352 CovalentContact SG-SG 2.04Å; C343-C352 PolarHBondContact SG-SG 2.85Å |
| 344 | K | 65.9 | Low | 56.2 | Low | 133 Ų | 133 | 74.8 Ų | 74.8 | 58% | 0.578 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 141.7 | 168 | -172.3 | -178.9 | 178 | -169.3 | 0 | 108.7 | G346 F347 | K344-G346 PolarHBondContact O-N 3.33Å; K344-F347 HydrophobicContact CB-CD2 4.36Å; K344-F347 PolarHBondContact O-N 2.77Å |
| 345 | P | 56.6 | Low | 57.5 | Low | 110 Ų | 110 | 71.4 Ų | 71.4 | 71% | 0.714 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.8 | 131.5 | 175.8 | -30.2 | 35.9 | 0 | 0 | 0 | 112.1 | ||
| 346 | G | 55.7 | Low | 58.9 | Low | 14 Ų | 14 | 70.9 Ų | 70.9 | 14% | 0.144 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96 | 2.5 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | K344 V355 Q356 | K344-G346 PolarHBondContact O-N 3.33Å; G346-V355 WeakPolarHBondContact O-CA 3.47Å; G346-V355 WeakPolarHBondContact O-CG1 3.04Å; G346-Q356 PolarHBondContact O-N 2.99Å |
| 347 | F | 68.9 | Low | 60.1 | Low | 55 Ų | 55 | 65.5 Ų | 65.5 | 24% | 0.241 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 148.8 | 173.7 | -61 | -83.3 | 0 | 0 | 0 | 112.6 | N308 C343 K344 N354 V355 | N308-F347 HydrophobicContact CB-CB 4.39Å; N308-F347 HydrophobicContact CB-CD1 3.39Å; N308-F347 HydrophobicContact CB-CD2 4.03Å; N308-F347 HydrophobicContact CB-CE1 3.51Å; N308-F347 HydrophobicContact CB-CE2 4.14Å; N308-F347 HydrophobicContact CB-CG 3.66Å; N308-F347 HydrophobicContact CB-CZ 3.9Å; N308-F347 VanDerWaalsContact CG-CD1 3.42Å; N308-F347 WeakPolarHBondContact ND2-CD1 3.26Å; C343-F347 HydrophobicContact CB-CB 4.17Å; C343-F347 WeakPolarHBondContact CB-O 3.43Å; K344-F347 HydrophobicContact CB-CD2 4.36Å; K344-F347 PolarHBondContact O-N 2.77Å; F347-N354 CarbonylContact C-O 3.59Å; F347-N354 WeakPolarHBondContact CA-O 3.39Å; F347-N354 WeakPolarHBondContact CB-O 3.01Å; F347-N354 WeakPolarHBondContact CD1-O 3.27Å; F347-V355 HydrophobicContact CD1-CG2 4.24Å; F347-V355 HydrophobicContact CE1-CG2 3.97Å |
| 348 | S | 62.6 | Low | 61.5 | Low | 35 Ų | 35 | 64.5 Ų | 64.5 | 25% | 0.245 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | -179.1 | -178.2 | 70.8 | 0 | 0 | 0 | 0 | 111.8 | C352 E353 N354 | S348-C352 CarbonylContact O-C 3.6Å; S348-C352 WeakPolarHBondContact O-CA 3.32Å; S348-E353 PolarHBondContact O-N 2.85Å; S348-N354 PolarHBondContact N-O 3.26Å; S348-N354 WeakPolarHBondContact O-CB 3.47Å; S348-N354 PolarHBondContact O-N 2.89Å |
| 349 | G | 66 | Low | 63 | Low | 34 Ų | 34 | 61.6 Ų | 61.6 | 35% | 0.351 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 94.2 | 162.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y351 C352 E353 | G349-Y351 PolarHBondContact O-N 3.07Å; G349-C352 PolarHBondContact O-N 2.78Å; G349-E353 WeakPolarHBondContact CA-OE2 3.49Å |
| 350 | H | 66.4 | Low | 63.5 | Low | 107 Ų | 107 | 67.1 Ų | 67.1 | 50% | 0.495 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -22 | -171.1 | -164.2 | -55.3 | 0 | 0 | 0 | 112.7 | E353 | H350-E353 PolarHBondContact N-OE2 2.83Å; H350-E353 VanDerWaalsContact N-OE2 3.09Å |
| 351 | Y | 69.3 | Low | 63.7 | Low | 86 Ų | 86 | 71.7 Ų | 71.7 | 34% | 0.337 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | 13.7 | 176.9 | -57.7 | -66.2 | 0 | 0 | 0 | 113 | T304 C306 F307 G349 E353 | T304-Y351 HydrophobicContact CG2-CE1 3.72Å; C306-Y351 CarbonylContact C-O 3.49Å; C306-Y351 WeakPolarHBondContact CA-O 3.18Å; F307-Y351 PolarHBondContact N-O 2.79Å; G349-Y351 PolarHBondContact O-N 3.07Å; Y351-E353 VanDerWaalsContact C-OE2 3.28Å; Y351-E353 VanDerWaalsContact CA-OE2 3.32Å; Y351-E353 WeakPolarHBondContact CA-OE2 3.43Å; Y351-E353 PolarHBondContact N-OE2 2.9Å; Y351-E353 PolarHBondContact O-N 3.36Å |
| 352 | C | 74.2 | Confident | 63.1 | Low | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 39% | 0.393 | C | S | . | . | S | Bend | trans | 55.9 | 30.4 | -170.9 | -51.5 | 0 | 0 | 0 | 0 | 113.6 | F307 N308 C341 C343 S348 G349 | F307-C352 WeakPolarHBondContact O-CB 3.28Å; N308-C352 PolarHBondContact ND2-O 3.34Å; C341-C352 HydrophobicContact CB-CB 4.45Å; C341-C352 WeakPolarHBondContact CB-SG 3.41Å; C343-C352 WeakPolarHBondContact CA-SG 3.38Å; C343-C352 HydrophobicContact CB-CB 3.82Å; C343-C352 WeakPolarHBondContact CB-SG 3.19Å; C343-C352 PolarHBondContact N-SG 2.79Å; C343-C352 VanDerWaalsContact N-SG 3.43Å; C343-C352 WeakPolarHBondContact SG-CA 3.46Å; C343-C352 WeakPolarHBondContact SG-CB 3.47Å; C343-C352 CovalentContact SG-SG 2.04Å; C343-C352 PolarHBondContact SG-SG 2.85Å; S348-C352 CarbonylContact O-C 3.6Å; S348-C352 WeakPolarHBondContact O-CA 3.32Å; G349-C352 PolarHBondContact O-N 2.78Å |
| 353 | E | 63.1 | Low | 62.9 | Low | 79 Ų | 79 | 70.8 Ų | 70.8 | 37% | 0.369 | 38% | 0.375 | S | S | . | . | trans | -73.2 | -28.3 | -177.7 | 64 | -86.1 | -124.3 | 0 | 0 | 113 | F307 S348 G349 H350 Y351 | F307-E353 HydrophobicContact CD2-CB 3.91Å; S348-E353 PolarHBondContact O-N 2.85Å; G349-E353 WeakPolarHBondContact CA-OE2 3.49Å; H350-E353 PolarHBondContact N-OE2 2.83Å; H350-E353 VanDerWaalsContact N-OE2 3.09Å; Y351-E353 VanDerWaalsContact C-OE2 3.28Å; Y351-E353 VanDerWaalsContact CA-OE2 3.32Å; Y351-E353 WeakPolarHBondContact CA-OE2 3.43Å; Y351-E353 PolarHBondContact N-OE2 2.9Å; Y351-E353 PolarHBondContact O-N 3.36Å | ||
| 354 | N | 55.3 | Low | 63.1 | Low | 84 Ų | 84 | 70 Ų | 70 | 45% | 0.449 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 151.4 | -177 | -55 | -51.9 | 0 | 0 | 0 | 111.6 | F347 S348 | F347-N354 CarbonylContact C-O 3.59Å; F347-N354 WeakPolarHBondContact CA-O 3.39Å; F347-N354 WeakPolarHBondContact CB-O 3.01Å; F347-N354 WeakPolarHBondContact CD1-O 3.27Å; S348-N354 PolarHBondContact N-O 3.26Å; S348-N354 WeakPolarHBondContact O-CB 3.47Å; S348-N354 PolarHBondContact O-N 2.89Å |
| 355 | V | 54.6 | Low | 63.7 | Low | 101 Ų | 101 | 69 Ų | 69 | 61% | 0.612 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 139.3 | 160.3 | 179.2 | 0 | 0 | 0 | 0 | 107.9 | G346 F347 D357 | G346-V355 WeakPolarHBondContact O-CA 3.47Å; G346-V355 WeakPolarHBondContact O-CG1 3.04Å; F347-V355 HydrophobicContact CD1-CG2 4.24Å; F347-V355 HydrophobicContact CE1-CG2 3.97Å; V355-D357 PolarHBondContact O-N 3.39Å |
| 356 | Q | 57.5 | Low | 64.3 | Low | 61 Ų | 61 | 67.1 Ų | 67.1 | 29% | 0.285 | 35% | 0.351 | S | S | . | . | trans | -70.3 | 111.8 | -178.9 | -175.9 | 176.2 | 3.8 | 0 | 0 | 110.2 | G346 Y358 | G346-Q356 PolarHBondContact O-N 2.99Å; Q356-Y358 WeakPolarHBondContact O-CD2 3.33Å; Q356-Y358 PolarHBondContact O-N 2.87Å | ||
| 357 | D | 56.1 | Low | 64.8 | Low | 49 Ų | 49 | 68.4 Ų | 68.4 | 26% | 0.262 | 36% | 0.364 | S | S | . | . | trans | -78 | 102.2 | 175.6 | -179.5 | 0.5 | 0 | 0 | 0 | 110.4 | V355 C359 Q360 L372 | V355-D357 PolarHBondContact O-N 3.39Å; D357-C359 PolarHBondContact O-N 2.03Å; D357-C359 WeakPolarHBondContact OD1-CA 3.39Å; D357-C359 VanDerWaalsContact OD1-CB 3.29Å; D357-C359 WeakPolarHBondContact OD1-CB 3.45Å; D357-C359 PolarHBondContact OD1-N 3.05Å; D357-Q360 HydrophobicContact CB-CG 3.91Å; D357-Q360 WeakPolarHBondContact O-CB 3.09Å; D357-Q360 PolarHBondContact O-N 3.33Å; D357-Q360 VanDerWaalsContact O-N 3.17Å; D357-L372 HydrophobicContact CB-CD1 4.17Å; D357-L372 WeakPolarHBondContact OD1-CD1 3.29Å; D357-L372 WeakPolarHBondContact OD1-CD2 3.36Å | ||
| 358 | Y | 57.5 | Low | 65.2 | Low | 86 Ų | 86 | 66 Ų | 66 | 34% | 0.337 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -66.2 | -18.2 | 177 | -65.3 | -82.8 | 0 | 0 | 0 | 113.5 | Q356 Q360 H361 P363 Y394 | Q356-Y358 WeakPolarHBondContact O-CD2 3.33Å; Q356-Y358 PolarHBondContact O-N 2.87Å; Y358-Q360 VanDerWaalsContact C-N 3.27Å; Y358-Q360 PolarHBondContact O-N 3.17Å; Y358-H361 PolarHBondContact O-N 2.76Å; Y358-P363 WeakPolarHBondContact O-CD 3.27Å; Y358-Y394 HydrophobicContact CG-CD1 4.21Å |
| 359 | C | 65.5 | Low | 65.9 | Low | 15 Ų | 15 | 65.7 Ų | 65.7 | 10% | 0.101 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -75.8 | -13.1 | 174.3 | -65 | 0 | 0 | 0 | 0 | 112.9 | D357 H361 S362 C370 | D357-C359 PolarHBondContact O-N 2.03Å; D357-C359 WeakPolarHBondContact OD1-CA 3.39Å; D357-C359 VanDerWaalsContact OD1-CB 3.29Å; D357-C359 WeakPolarHBondContact OD1-CB 3.45Å; D357-C359 PolarHBondContact OD1-N 3.05Å; C359-H361 PolarHBondContact O-N 3.01Å; C359-H361 VanDerWaalsContact O-N 3.11Å; C359-S362 PolarHBondContact O-N 2.71Å; C359-S362 VanDerWaalsContact O-N 3.08Å; C359-C370 WeakPolarHBondContact CA-SG 3.46Å; C359-C370 HydrophobicContact CB-CB 3.76Å; C359-C370 WeakPolarHBondContact CB-SG 3.05Å; C359-C370 WeakPolarHBondContact SG-CB 3.31Å; C359-C370 CovalentContact SG-SG 2.04Å; C359-C370 PolarHBondContact SG-SG 2.8Å |
| 360 | Q | 59.6 | Low | 66.6 | Low | 140 Ų | 140 | 64.1 Ų | 64.1 | 65% | 0.654 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -67.3 | -2.8 | 169.9 | -68.9 | -176.7 | -11.8 | 0 | 0 | 113.9 | D357 Y358 | D357-Q360 HydrophobicContact CB-CG 3.91Å; D357-Q360 WeakPolarHBondContact O-CB 3.09Å; D357-Q360 PolarHBondContact O-N 3.33Å; D357-Q360 VanDerWaalsContact O-N 3.17Å; Y358-Q360 VanDerWaalsContact C-N 3.27Å; Y358-Q360 PolarHBondContact O-N 3.17Å |
| 361 | H | 62.8 | Low | 66.6 | Low | 157 Ų | 157 | 60.1 Ų | 60.1 | 73% | 0.727 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -115.6 | 16.7 | 172.6 | -63.9 | 4.1 | 0 | 0 | 0 | 112.1 | Y358 C359 | Y358-H361 PolarHBondContact O-N 2.76Å; C359-H361 PolarHBondContact O-N 3.01Å; C359-H361 VanDerWaalsContact O-N 3.11Å |
| 362 | S | 58.7 | Low | 65.9 | Low | 83 Ų | 83 | 58.1 Ų | 58.1 | 58% | 0.58 | 31% | 0.31 | S | S | * | . | trans | 41.9 | 55.5 | 177 | -62.3 | 0 | 0 | 0 | 0 | 115.7 | C359 C364 | C359-S362 PolarHBondContact O-N 2.71Å; C359-S362 VanDerWaalsContact O-N 3.08Å; S362-C364 PolarHBondContact O-N 2.93Å | ||
| 363 | P | 71.4 | Confident | 64.9 | Low | 24 Ų | 24 | 62.3 Ų | 62.3 | 16% | 0.156 | 33% | 0.329 | C | S | . | . | trans | -78.4 | 38.5 | -174.3 | 37.3 | -40.8 | 0 | 0 | 0 | 113.7 | Y358 Y394 C396 H406 | Y358-P363 WeakPolarHBondContact O-CD 3.27Å; P363-Y394 HydrophobicContact CB-CD2 4.4Å; P363-Y394 HydrophobicContact CB-CE1 4.41Å; P363-Y394 HydrophobicContact CB-CE2 3.59Å; P363-Y394 WeakPolarHBondContact CB-OH 2.94Å; P363-Y394 HydrophobicContact CG-CD1 4.36Å; P363-Y394 HydrophobicContact CG-CD2 3.65Å; P363-Y394 HydrophobicContact CG-CE1 4.08Å; P363-Y394 HydrophobicContact CG-CE2 3.33Å; P363-Y394 HydrophobicContact CG-CG 4.15Å; P363-C396 PolarHBondContact O-SG 3.34Å; P363-H406 PolarHBondContact O-ND1 2.92Å | ||
| 364 | C | 78 | Confident | 63.6 | Low | 17 Ų | 17 | 62.4 Ų | 62.4 | 12% | 0.115 | 33% | 0.332 | C | S | . | . | trans | -140.9 | 123.3 | 178.6 | -52.9 | 0 | 0 | 0 | 0 | 109.5 | S362 G368 C370 C396 H406 | S362-C364 PolarHBondContact O-N 2.93Å; C364-G368 VanDerWaalsContact CB-O 3.28Å; C364-G368 WeakPolarHBondContact CB-O 3.26Å; C364-C370 WeakPolarHBondContact SG-CA 3.15Å; C364-C370 WeakPolarHBondContact SG-CB 3.35Å; C364-C370 PolarHBondContact SG-N 3.47Å; C364-C396 HydrophobicContact CB-CB 3.75Å; C364-C396 WeakPolarHBondContact CB-SG 3.44Å; C364-C396 WeakPolarHBondContact SG-CB 3.34Å; C364-C396 CovalentContact SG-SG 2.02Å; C364-C396 PolarHBondContact SG-SG 2.84Å; C364-H406 CarbonylContact C-O 3.51Å; C364-H406 WeakPolarHBondContact CA-O 3.33Å | ||
| 365 | H | 77 | Confident | 62.4 | Low | 111 Ų | 111 | 63.3 Ų | 63.3 | 51% | 0.514 | 35% | 0.345 | S | S | . | . | trans | -87.8 | 176.8 | 179.9 | -53.1 | -74.5 | 0 | 0 | 0 | 111.3 | G367 G368 H406 | H365-G367 VanDerWaalsContact C-N 3.28Å; H365-G367 PolarHBondContact O-N 2.97Å; H365-G367 VanDerWaalsContact O-N 3.11Å; H365-G368 PolarHBondContact O-N 2.93Å; H365-H406 PolarHBondContact CD2-O 2.91Å; H365-H406 PolarHBondContact N-O 2.94Å | ||
| 366 | N | 70.5 | Confident | 61.2 | Low | 72 Ų | 72 | 61.6 Ų | 61.6 | 39% | 0.385 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 41.4 | 171.9 | -53.4 | -33.8 | 0 | 0 | 0 | 114.8 | G368 Y402 C407 | N366-G368 PolarHBondContact O-N 2.99Å; N366-Y402 HydrophobicContact CB-CD1 3.9Å; N366-Y402 HydrophobicContact CB-CD2 4.04Å; N366-Y402 HydrophobicContact CB-CE1 3.94Å; N366-Y402 HydrophobicContact CB-CE2 4.07Å; N366-Y402 HydrophobicContact CB-CG 3.95Å; N366-Y402 WeakPolarHBondContact ND2-CD1 3.33Å; N366-Y402 WeakPolarHBondContact ND2-CE1 3.27Å; N366-C407 WeakPolarHBondContact CB-O 3.38Å; N366-C407 PolarHBondContact ND2-O 3.28Å |
| 367 | G | 66.1 | Low | 59.8 | Low | 41 Ų | 41 | 64.5 Ų | 64.5 | 42% | 0.423 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71 | 12.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | H365 L1370 | H365-G367 VanDerWaalsContact C-N 3.28Å; H365-G367 PolarHBondContact O-N 2.97Å; H365-G367 VanDerWaalsContact O-N 3.11Å; G367-L1370 WeakPolarHBondContact O-CD1 2.99Å |
| 368 | G | 76.7 | Confident | 58.4 | Low | 4 Ų | 4 | 67.6 Ų | 67.6 | 4% | 0.041 | 37% | 0.372 | C | S | . | . | trans | -66.5 | 142.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | C364 H365 N366 C370 | C364-G368 VanDerWaalsContact CB-O 3.28Å; C364-G368 WeakPolarHBondContact CB-O 3.26Å; H365-G368 PolarHBondContact O-N 2.93Å; N366-G368 PolarHBondContact O-N 2.99Å; G368-C370 PolarHBondContact O-N 2.9Å | ||
| 369 | I | 78.3 | Confident | 57 | Low | 29 Ų | 29 | 67.3 Ų | 67.3 | 15% | 0.149 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 87.6 | -171.9 | -58.9 | 162 | 0 | 0 | 0 | 111.3 | M371 N395 C396 M397 L1369 L1370 | I369-M371 HydrophobicContact CG2-CG 3.88Å; I369-M371 PolarHBondContact O-N 2.87Å; I369-M371 VanDerWaalsContact O-N 3.16Å; I369-N395 VanDerWaalsContact O-O 3.11Å; I369-C396 CarbonylContact O-C 3.57Å; I369-C396 WeakPolarHBondContact O-CA 3.26Å; I369-M397 WeakPolarHBondContact CA-O 3.38Å; I369-M397 HydrophobicContact CB-CB 3.63Å; I369-M397 WeakPolarHBondContact CB-O 3.46Å; I369-M397 HydrophobicContact CD1-CB 4.25Å; I369-M397 HydrophobicContact CD1-CE 4.09Å; I369-M397 HydrophobicContact CG1-CB 4.43Å; I369-M397 WeakPolarHBondContact CG1-O 3.3Å; I369-M397 HydrophobicContact CG2-CB 4.13Å; I369-M397 PolarHBondContact N-O 3.17Å; I369-M397 PolarHBondContact O-N 2.78Å; I369-L1369 VanDerWaalsContact C-CD1 3.48Å; I369-L1369 VanDerWaalsContact CA-CD1 3.42Å; I369-L1369 HydrophobicContact CB-CD1 3.94Å; I369-L1369 HydrophobicContact CG2-CD1 3.49Å; I369-L1369 VanDerWaalsContact CG2-CD1 3.49Å; I369-L1370 HydrophobicContact CB-CD1 4.44Å; I369-L1370 HydrophobicContact CD1-CD2 3.84Å; I369-L1370 HydrophobicContact CG1-CB 4.22Å; I369-L1370 HydrophobicContact CG1-CD1 3.69Å; I369-L1370 HydrophobicContact CG1-CD2 3.49Å; I369-L1370 VanDerWaalsContact CG1-CD2 3.49Å; I369-L1370 HydrophobicContact CG1-CG 3.91Å |
| 370 | C | 80.8 | Confident | 55.3 | Low | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.007 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.8 | 114.7 | 163.8 | -162.4 | 0 | 0 | 0 | 0 | 113.1 | C359 C364 G368 L1369 | C359-C370 WeakPolarHBondContact CA-SG 3.46Å; C359-C370 HydrophobicContact CB-CB 3.76Å; C359-C370 WeakPolarHBondContact CB-SG 3.05Å; C359-C370 WeakPolarHBondContact SG-CB 3.31Å; C359-C370 CovalentContact SG-SG 2.04Å; C359-C370 PolarHBondContact SG-SG 2.8Å; C364-C370 WeakPolarHBondContact SG-CA 3.15Å; C364-C370 WeakPolarHBondContact SG-CB 3.35Å; C364-C370 PolarHBondContact SG-N 3.47Å; G368-C370 PolarHBondContact O-N 2.9Å; C370-L1369 HydrophobicContact CB-CD1 4.22Å; C370-L1369 HydrophobicContact CB-CD2 4.1Å; C370-L1369 HydrophobicContact CB-CG 3.96Å; C370-L1369 WeakPolarHBondContact O-CD1 3.5Å; C370-L1369 WeakPolarHBondContact O-CG 3.19Å; C370-L1369 PolarHBondContact O-N 3.15Å |
| 371 | M | 65.3 | Low | 53.7 | Low | 22 Ų | 22 | 68.9 Ų | 68.9 | 11% | 0.108 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 132.7 | 169 | -56.9 | -158.3 | -65 | 0 | 0 | 110.2 | I369 Q373 Y394 N395 M397 | I369-M371 HydrophobicContact CG2-CG 3.88Å; I369-M371 PolarHBondContact O-N 2.87Å; I369-M371 VanDerWaalsContact O-N 3.16Å; M371-Q373 PolarHBondContact O-N 3.33Å; M371-Y394 CarbonylContact O-C 3.52Å; M371-Y394 WeakPolarHBondContact O-CA 3.42Å; M371-N395 PolarHBondContact N-O 3.4Å; M371-N395 PolarHBondContact O-N 3.04Å; M371-M397 HydrophobicContact CE-CG 4.09Å; M371-M397 HydrophobicContact CE-SD 3.46Å; M371-M397 WeakPolarHBondContact CE-SD 3.19Å; M371-M397 HydrophobicContact SD-SD 4.03Å |
| 372 | L | 55.9 | Low | 52 | Low | 45 Ų | 45 | 68.2 Ų | 68.2 | 24% | 0.236 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 128.7 | 168.6 | -72.4 | -180 | 0 | 0 | 0 | 109.5 | D357 N374 L1367 | D357-L372 HydrophobicContact CB-CD1 4.17Å; D357-L372 WeakPolarHBondContact OD1-CD1 3.29Å; D357-L372 WeakPolarHBondContact OD1-CD2 3.36Å; L372-N374 VanDerWaalsContact C-N 3.27Å; L372-N374 PolarHBondContact O-N 3.32Å; L372-L1367 PolarHBondContact N-O 2.89Å |
| 373 | Q | 51.5 | Low | 50.4 | Low | 87 Ų | 87 | 70.7 Ų | 70.7 | 41% | 0.407 | 40% | 0.398 | S | S | . | . | trans | -81.8 | 74.1 | 175.7 | -77.6 | -159.5 | -12.1 | 0 | 0 | 111.1 | M371 S375 S392 N393 N395 | M371-Q373 PolarHBondContact O-N 3.33Å; Q373-S375 PolarHBondContact O-N 3.48Å; Q373-S392 PolarHBondContact OE1-O 3.07Å; Q373-N393 PolarHBondContact N-O 3.44Å; Q373-N395 HydrophobicContact CG-CB 3.8Å | ||
| 374 | N | 36.8 | Very low | 48.3 | Very low | 81 Ų | 81 | 77.7 Ų | 77.7 | 43% | 0.433 | 43% | 0.429 | S | S | . | . | trans | -65 | 127.2 | 160.6 | -88 | -22.9 | 0 | 0 | 0 | 110 | L372 P1364 E1365 | L372-N374 VanDerWaalsContact C-N 3.27Å; L372-N374 PolarHBondContact O-N 3.32Å; N374-P1364 CarbonylContact C-O 3.23Å; N374-P1364 HydrophobicContact CB-CB 4.15Å; N374-P1364 HydrophobicContact CB-CG 3.93Å; N374-E1365 WeakPolarHBondContact CB-O 3.23Å; N374-E1365 PolarHBondContact ND2-O 2.98Å | ||
| 375 | S | 30.1 | Very low | 45.8 | Very low | 103 Ų | 103 | 84.8 Ų | 84.8 | 72% | 0.72 | 46% | 0.462 | S | S | * | . | trans | -136.1 | 89.1 | -178 | 54.1 | 0 | 0 | 0 | 0 | 113.5 | Q373 P1364 | Q373-S375 PolarHBondContact O-N 3.48Å; S375-P1364 PolarHBondContact N-O 3.43Å | ||
| 376 | S | 30.2 | Very low | 43.5 | Very low | 65 Ų | 65 | 87.2 Ų | 87.2 | 46% | 0.455 | 48% | 0.479 | S | S | . | . | trans | -162.1 | 151.7 | 135.4 | -5.8 | 0 | 0 | 0 | 0 | 111.4 | H1363 P1364 | S376-H1363 CarbonylContact C-O 3.57Å; S376-H1363 WeakPolarHBondContact CB-O 3.36Å; S376-H1363 CarbonylContact O-C 3.1Å; S376-H1363 PolarHBondContact OG-O 3.19Å; S376-P1364 PolarHBondContact N-O 3.44Å; S376-P1364 CarbonylContact O-C 3.13Å; S376-P1364 VanDerWaalsContact O-N 3.1Å; S376-P1364 VanDerWaalsContact O-O 3.08Å | ||
| 377 | N | 26.6 | Very low | 41.6 | Very low | 123 Ų | 123 | 90.2 Ų | 90.2 | 66% | 0.658 | 50% | 0.499 | S | S | * | . | trans | -106.7 | 107.7 | 163.5 | -112.5 | -39.2 | 0 | 0 | 0 | 108.8 | ||||
| 378 | N | 27.3 | Very low | 39.9 | Very low | 114 Ų | 114 | 94.7 Ų | 94.7 | 61% | 0.61 | 52% | 0.518 | S | S | * | . | S | Bend | trans | 58.6 | 108.5 | 159.8 | -62.2 | -44.8 | 0 | 0 | 0 | 120.3 | ||
| 379 | N | 27.3 | Very low | 37.6 | Very low | 80 Ų | 80 | 100.8 Ų | 100.8 | 43% | 0.428 | 56% | 0.555 | S | S | . | * | trans | 78.9 | 127.7 | 132.8 | -64.6 | -32.6 | 0 | 0 | 0 | 123.9 | T1361 T1362 | N379-T1361 WeakPolarHBondContact CA-OG1 3.43Å; N379-T1361 WeakPolarHBondContact CB-OG1 3.44Å; N379-T1361 WeakPolarHBondContact OD1-CA 3.46Å; N379-T1361 WeakPolarHBondContact OD1-CB 3.47Å; N379-T1361 PolarHBondContact OD1-N 3.11Å; N379-T1361 VanDerWaalsContact OD1-N 3.08Å; N379-T1361 PolarHBondContact OD1-O 3.48Å; N379-T1361 VanDerWaalsContact OD1-O 3.09Å; N379-T1361 PolarHBondContact OD1-OG1 3.24Å; N379-T1362 PolarHBondContact N-O 3.26Å; N379-T1362 VanDerWaalsContact N-O 3.14Å; N379-T1362 PolarHBondContact N-OG1 3.38Å | ||
| 380 | N | 30.2 | Very low | 35.5 | Very low | 104 Ų | 104 | 102.6 Ų | 102.6 | 56% | 0.556 | 57% | 0.574 | S | S | * | * | trans | 90.3 | 82.8 | 159.9 | -69.6 | -70.5 | 0 | 0 | 0 | 122.6 | I1360 T1361 | N380-I1360 WeakPolarHBondContact OD1-CG2 3.29Å; N380-T1361 PolarHBondContact N-OG1 3.22Å; N380-T1361 VanDerWaalsContact N-OG1 3.16Å | ||
| 381 | T | 27.3 | Very low | 33.2 | Very low | 83 Ų | 83 | 111.2 Ų | 111.2 | 51% | 0.509 | 61% | 0.614 | S | S | . | * | 60.1 | 122.1 | 118.5 | 38 | 0 | 0 | 0 | 0 | 124.1 | T1361 | T381-T1361 HydrophobicContact CG2-CG2 4.11Š| |||
| 382 | I | 25.3 | Very low | 32.1 | Very low | 143 Ų | 143 | 112.9 Ų | 112.9 | 73% | 0.733 | 63% | 0.628 | S | S | * | * | trans | 102.4 | 119.5 | 136.6 | -69.1 | 164.7 | 0 | 0 | 0 | 120.8 | ||||
| 383 | N | 25.6 | Very low | 32 | Very low | 135 Ų | 135 | 115 Ų | 115 | 72% | 0.722 | 64% | 0.64 | S | S | * | * | trans | 85.3 | 107 | 153.8 | -73.5 | -11 | 0 | 0 | 0 | 124 | ||||
| 384 | H | 26.8 | Very low | 32.5 | Very low | 171 Ų | 171 | 113.7 Ų | 113.7 | 79% | 0.792 | 63% | 0.632 | S | S | * | * | trans | 65.7 | 120.5 | 137.7 | -81.8 | -79.1 | 0 | 0 | 0 | 123.2 | ||||
| 385 | M | 26.7 | Very low | 34.2 | Very low | 167 Ų | 167 | 112.8 Ų | 112.8 | 82% | 0.823 | 63% | 0.627 | S | S | * | * | trans | 63.5 | 106.2 | 151.3 | -59.7 | -131.1 | -60.7 | 0 | 0 | 119.7 | ||||
| 386 | N | 27.5 | Very low | 36.5 | Very low | 162 Ų | 162 | 108.4 Ų | 108.4 | 87% | 0.866 | 60% | 0.596 | S | S | * | * | -154 | 162.9 | 113.3 | -110.4 | -18.4 | 0 | 0 | 0 | 111.5 | |||||
| 387 | V | 31.3 | Very low | 38.6 | Very low | 134 Ų | 134 | 109.8 Ų | 109.8 | 81% | 0.812 | 60% | 0.596 | S | S | * | * | trans | -98.9 | 132 | 174.8 | 175 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 388 | V | 30.3 | Very low | 41.1 | Very low | 135 Ų | 135 | 105.6 Ų | 105.6 | 82% | 0.818 | 58% | 0.576 | S | S | * | * | trans | -140.4 | 146 | 168.7 | -177 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 389 | T | 28.2 | Very low | 43.1 | Very low | 133 Ų | 133 | 105 Ų | 105 | 82% | 0.816 | 57% | 0.57 | S | S | * | * | trans | -103 | 129.9 | -178.4 | 46.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 390 | A | 34.2 | Very low | 44.8 | Very low | 67 Ų | 67 | 105.4 Ų | 105.4 | 55% | 0.554 | 58% | 0.577 | S | S | * | * | trans | -166.5 | 149.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108 | S392 | A390-S392 WeakPolarHBondContact CB-OG 3.41Š| ||
| 391 | E | 33.9 | Very low | 46.4 | Very low | 181 Ų | 181 | 100.9 Ų | 100.9 | 85% | 0.846 | 55% | 0.554 | S | S | * | * | S | Bend | cis | 78.2 | 4.3 | 16.8 | -56.4 | -167.9 | 172.1 | 0 | 0 | 118 | K405 | E391-K405 PolarHBondContact O-NZ 3.22Å; E391-K405 VanDerWaalsContact O-NZ 3.09Å |
| 392 | S | 42.2 | Very low | 48.6 | Very low | 57 Ų | 57 | 98.8 Ų | 98.8 | 40% | 0.399 | 54% | 0.538 | S | S | . | . | trans | -154.2 | 47.1 | -176.2 | 69.9 | 0 | 0 | 0 | 0 | 116.4 | Q373 A390 | Q373-S392 PolarHBondContact OE1-O 3.07Å; A390-S392 WeakPolarHBondContact CB-OG 3.41Å | ||
| 393 | N | 52.2 | Low | 50.8 | Low | 91 Ų | 91 | 93.8 Ų | 93.8 | 49% | 0.487 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -106.6 | 7 | 178.7 | -90.8 | 37.2 | 0 | 0 | 0 | 115.7 | Q373 | Q373-N393 PolarHBondContact N-O 3.44Š|
| 394 | Y | 62.8 | Low | 53.2 | Low | 58 Ų | 58 | 88.2 Ų | 88.2 | 23% | 0.227 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 161.1 | 163.6 | 65.6 | -90.2 | 0 | 0 | 0 | 110.7 | Y358 P363 M371 H406 | Y358-Y394 HydrophobicContact CG-CD1 4.21Å; P363-Y394 HydrophobicContact CB-CD2 4.4Å; P363-Y394 HydrophobicContact CB-CE1 4.41Å; P363-Y394 HydrophobicContact CB-CE2 3.59Å; P363-Y394 WeakPolarHBondContact CB-OH 2.94Å; P363-Y394 HydrophobicContact CG-CD1 4.36Å; P363-Y394 HydrophobicContact CG-CD2 3.65Å; P363-Y394 HydrophobicContact CG-CE1 4.08Å; P363-Y394 HydrophobicContact CG-CE2 3.33Å; P363-Y394 HydrophobicContact CG-CG 4.15Å; M371-Y394 CarbonylContact O-C 3.52Å; M371-Y394 WeakPolarHBondContact O-CA 3.42Å; Y394-H406 AromaticContact CE2-CE1 3.68Å; Y394-H406 AromaticContact CE2-ND1 3.8Å; Y394-H406 AromaticContact CZ-CE1 3.82Å; Y394-H406 PolarHBondContact OH-CE1 2.83Å |
| 395 | N | 71.6 | Confident | 55.3 | Low | 63 Ų | 63 | 85 Ų | 85 | 34% | 0.337 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 125.1 | -178.6 | 174.4 | 99.2 | 0 | 0 | 0 | 110.3 | I369 M371 Q373 | I369-N395 VanDerWaalsContact O-O 3.11Å; M371-N395 PolarHBondContact N-O 3.4Å; M371-N395 PolarHBondContact O-N 3.04Å; Q373-N395 HydrophobicContact CG-CB 3.8Å |
| 396 | C | 79 | Confident | 57.8 | Low | 10 Ų | 10 | 79 Ų | 79 | 7% | 0.068 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 122.9 | 175.8 | -53.7 | 0 | 0 | 0 | 0 | 111.2 | P363 C364 I369 K405 C407 | P363-C396 PolarHBondContact O-SG 3.34Å; C364-C396 HydrophobicContact CB-CB 3.75Å; C364-C396 WeakPolarHBondContact CB-SG 3.44Å; C364-C396 WeakPolarHBondContact SG-CB 3.34Å; C364-C396 CovalentContact SG-SG 2.02Å; C364-C396 PolarHBondContact SG-SG 2.84Å; I369-C396 CarbonylContact O-C 3.57Å; I369-C396 WeakPolarHBondContact O-CA 3.26Å; C396-K405 WeakPolarHBondContact CB-O 3.43Å; C396-K405 PolarHBondContact SG-O 2.82Å; C396-C407 WeakPolarHBondContact CB-SG 3.26Å |
| 397 | M | 75.1 | Confident | 60.2 | Low | 94 Ų | 94 | 71.3 Ų | 71.3 | 46% | 0.463 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 100.6 | 169.5 | -116.1 | -179.9 | 62.8 | 0 | 0 | 107.9 | I369 M371 | I369-M397 WeakPolarHBondContact CA-O 3.38Å; I369-M397 HydrophobicContact CB-CB 3.63Å; I369-M397 WeakPolarHBondContact CB-O 3.46Å; I369-M397 HydrophobicContact CD1-CB 4.25Å; I369-M397 HydrophobicContact CD1-CE 4.09Å; I369-M397 HydrophobicContact CG1-CB 4.43Å; I369-M397 WeakPolarHBondContact CG1-O 3.3Å; I369-M397 HydrophobicContact CG2-CB 4.13Å; I369-M397 PolarHBondContact N-O 3.17Å; I369-M397 PolarHBondContact O-N 2.78Å; M371-M397 HydrophobicContact CE-CG 4.09Å; M371-M397 HydrophobicContact CE-SD 3.46Å; M371-M397 WeakPolarHBondContact CE-SD 3.19Å; M371-M397 HydrophobicContact SD-SD 4.03Å |
| 398 | C | 78 | Confident | 62.2 | Low | 35 Ų | 35 | 65.9 Ų | 65.9 | 24% | 0.236 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 153.6 | -170.7 | -49.2 | 0 | 0 | 0 | 0 | 112.4 | Y402 C407 | C398-Y402 WeakPolarHBondContact CB-O 3.46Å; C398-C407 WeakPolarHBondContact CA-SG 3.18Å; C398-C407 HydrophobicContact CB-CB 3.69Å; C398-C407 WeakPolarHBondContact CB-SG 3.32Å; C398-C407 PolarHBondContact N-SG 3.06Å; C398-C407 WeakPolarHBondContact SG-CA 3.43Å; C398-C407 WeakPolarHBondContact SG-CB 3.16Å; C398-C407 CovalentContact SG-SG 2.04Å; C398-C407 PolarHBondContact SG-SG 3.39Å |
| 399 | Q | 70.3 | Confident | 64.1 | Low | 103 Ų | 103 | 61.8 Ų | 61.8 | 48% | 0.481 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 147.3 | 158.3 | -62.8 | -155.5 | -63.1 | 0 | 0 | 108.2 | Y402 | Q399-Y402 PolarHBondContact O-N 3.41Å; Q399-Y402 VanDerWaalsContact O-N 3.08Å |
| 400 | P | 61.7 | Low | 65.8 | Low | 88 Ų | 88 | 57.2 Ų | 57.2 | 57% | 0.571 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 152.3 | 173.4 | -24.2 | 37.5 | 0 | 0 | 0 | 110.8 | Y402 D430 | P400-Y402 VanDerWaalsContact C-N 3.27Å; P400-Y402 PolarHBondContact O-N 2.96Å; P400-D430 VanDerWaalsContact C-CG 3.45Å; P400-D430 WeakPolarHBondContact CB-OD1 3.27Å |
| 401 | G | 63.8 | Low | 67 | Low | 8 Ų | 8 | 56.9 Ų | 56.9 | 8% | 0.082 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | -14.5 | -163.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | N410 I411 D430 | G401-N410 PolarHBondContact O-OD1 3.47Å; G401-I411 WeakPolarHBondContact O-CB 3.42Å; G401-I411 PolarHBondContact O-N 3.2Å; G401-D430 PolarHBondContact N-OD1 3.36Å; G401-D430 VanDerWaalsContact N-OD1 3.17Å |
| 402 | Y | 74.2 | Confident | 68.1 | Low | 40 Ų | 40 | 55 Ų | 55 | 16% | 0.157 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 149.9 | 176.2 | -65.7 | -81.7 | 0 | 0 | 0 | 113.4 | N366 C398 Q399 P400 I409 N410 I429 | N366-Y402 HydrophobicContact CB-CD1 3.9Å; N366-Y402 HydrophobicContact CB-CD2 4.04Å; N366-Y402 HydrophobicContact CB-CE1 3.94Å; N366-Y402 HydrophobicContact CB-CE2 4.07Å; N366-Y402 HydrophobicContact CB-CG 3.95Å; N366-Y402 WeakPolarHBondContact ND2-CD1 3.33Å; N366-Y402 WeakPolarHBondContact ND2-CE1 3.27Å; C398-Y402 WeakPolarHBondContact CB-O 3.46Å; Q399-Y402 PolarHBondContact O-N 3.41Å; Q399-Y402 VanDerWaalsContact O-N 3.08Å; P400-Y402 VanDerWaalsContact C-N 3.27Å; P400-Y402 PolarHBondContact O-N 2.96Å; Y402-I409 WeakPolarHBondContact CA-O 3.49Å; Y402-N410 HydrophobicContact CD1-CB 4.43Å; Y402-N410 HydrophobicContact CE1-CB 4.22Å; Y402-I429 HydrophobicContact CE2-CG2 3.63Å |
| 403 | S | 72 | Confident | 68.9 | Low | 38 Ų | 38 | 54.8 Ų | 54.8 | 27% | 0.266 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 177.7 | 176.8 | 71.8 | 0 | 0 | 0 | 0 | 111.3 | C407 E408 I409 | S403-C407 CarbonylContact O-C 3.17Å; S403-E408 PolarHBondContact O-N 3.34Å; S403-I409 PolarHBondContact N-O 3.46Å; S403-I409 PolarHBondContact O-N 3.18Å; S403-I409 VanDerWaalsContact OG-CG2 3.3Å; S403-I409 WeakPolarHBondContact OG-CG2 3.38Å |
| 404 | G | 74.7 | Confident | 69.7 | Low | 17 Ų | 17 | 51.3 Ų | 51.3 | 18% | 0.175 | 26% | 0.263 | C | S | . | . | S | Bend | trans | 113.5 | 177.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | H406 E408 N2484 | G404-H406 VanDerWaalsContact C-N 3.35Å; G404-E408 WeakPolarHBondContact CA-OE2 3.39Å; G404-N2484 WeakPolarHBondContact CA-ND2 3.44Å |
| 405 | K | 71.4 | Confident | 69.6 | Low | 104 Ų | 104 | 57.2 Ų | 57.2 | 45% | 0.452 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -77.1 | -28.5 | -178.7 | -170.4 | -179.9 | 178.2 | -176.2 | 0 | 111.4 | E391 C396 E408 | E391-K405 PolarHBondContact O-NZ 3.22Å; E391-K405 VanDerWaalsContact O-NZ 3.09Å; C396-K405 WeakPolarHBondContact CB-O 3.43Å; C396-K405 PolarHBondContact SG-O 2.82Å; K405-E408 PolarHBondContact N-OE1 2.92Å; K405-E408 PolarHBondContact N-OE2 3.46Å |
| 406 | H | 79 | Confident | 68.9 | Low | 41 Ų | 41 | 60.4 Ų | 60.4 | 19% | 0.19 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -119.3 | 18.7 | -179.4 | -51.6 | -70 | 0 | 0 | 0 | 112.4 | P363 C364 H365 Y394 G404 E408 | P363-H406 PolarHBondContact O-ND1 2.92Å; C364-H406 CarbonylContact C-O 3.51Å; C364-H406 WeakPolarHBondContact CA-O 3.33Å; H365-H406 PolarHBondContact CD2-O 2.91Å; H365-H406 PolarHBondContact N-O 2.94Å; Y394-H406 AromaticContact CE2-CE1 3.68Å; Y394-H406 AromaticContact CE2-ND1 3.8Å; Y394-H406 AromaticContact CZ-CE1 3.82Å; Y394-H406 PolarHBondContact OH-CE1 2.83Å; G404-H406 VanDerWaalsContact C-N 3.35Å; H406-E408 WeakPolarHBondContact CA-OE2 3.05Å; H406-E408 HydrophobicContact CB-CG 4.34Å; H406-E408 WeakPolarHBondContact CB-OE1 3.3Å; H406-E408 IonicContact CD2-OE1 2.69Å; H406-E408 PolarHBondContact CD2-OE1 2.75Å; H406-E408 VanDerWaalsContact CD2-OE1 3.23Å; H406-E408 IonicContact CG-OE1 3.4Å; H406-E408 PolarHBondContact N-OE1 3.49Å; H406-E408 PolarHBondContact N-OE2 2.82Å |
| 407 | C | 78.5 | Confident | 68 | Low | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | S | Bend | trans | 57 | 43.5 | -177.9 | -60.2 | 0 | 0 | 0 | 0 | 115 | N366 C396 C398 S403 | N366-C407 WeakPolarHBondContact CB-O 3.38Å; N366-C407 PolarHBondContact ND2-O 3.28Å; C396-C407 WeakPolarHBondContact CB-SG 3.26Å; C398-C407 WeakPolarHBondContact CA-SG 3.18Å; C398-C407 HydrophobicContact CB-CB 3.69Å; C398-C407 WeakPolarHBondContact CB-SG 3.32Å; C398-C407 PolarHBondContact N-SG 3.06Å; C398-C407 WeakPolarHBondContact SG-CA 3.43Å; C398-C407 WeakPolarHBondContact SG-CB 3.16Å; C398-C407 CovalentContact SG-SG 2.04Å; C398-C407 PolarHBondContact SG-SG 3.39Å; S403-C407 CarbonylContact O-C 3.17Å |
| 408 | E | 73.6 | Confident | 67.5 | Low | 21 Ų | 21 | 64.6 Ų | 64.6 | 10% | 0.098 | 33% | 0.327 | C | S | . | . | trans | -112.5 | -22.7 | -162.9 | 69.6 | -75.3 | -137.7 | 0 | 0 | 113.5 | S403 G404 K405 H406 T2485 N2486 | S403-E408 PolarHBondContact O-N 3.34Å; G404-E408 WeakPolarHBondContact CA-OE2 3.39Å; K405-E408 PolarHBondContact N-OE1 2.92Å; K405-E408 PolarHBondContact N-OE2 3.46Å; H406-E408 WeakPolarHBondContact CA-OE2 3.05Å; H406-E408 HydrophobicContact CB-CG 4.34Å; H406-E408 WeakPolarHBondContact CB-OE1 3.3Å; H406-E408 IonicContact CD2-OE1 2.69Å; H406-E408 PolarHBondContact CD2-OE1 2.75Å; H406-E408 VanDerWaalsContact CD2-OE1 3.23Å; H406-E408 IonicContact CG-OE1 3.4Å; H406-E408 PolarHBondContact N-OE1 3.49Å; H406-E408 PolarHBondContact N-OE2 2.82Å; E408-T2485 HydrophobicContact CG-CG2 3.56Å; E408-T2485 WeakPolarHBondContact OE1-CB 3.37Å; E408-T2485 WeakPolarHBondContact OE1-CG2 3.26Å; E408-T2485 PolarHBondContact OE1-OG1 2.67Å; E408-T2485 WeakPolarHBondContact OE2-CG2 3.23Å; E408-N2486 VanDerWaalsContact C-ND2 3.27Å; E408-N2486 HydrophobicContact CB-CB 4.17Å; E408-N2486 WeakPolarHBondContact CB-ND2 3.34Å; E408-N2486 HydrophobicContact CG-CB 3.49Å; E408-N2486 VanDerWaalsContact CG-CB 3.49Å; E408-N2486 VanDerWaalsContact CG-CG 3.41Å; E408-N2486 PolarHBondContact O-ND2 2.95Å; E408-N2486 PolarHBondContact O-OD1 2.96Å | ||
| 409 | I | 70 | Confident | 67.4 | Low | 48 Ų | 48 | 63.4 Ų | 63.4 | 25% | 0.246 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 128.2 | 166.3 | -81.4 | 167.6 | 0 | 0 | 0 | 109.5 | Y402 S403 N2484 T2485 N2486 | Y402-I409 WeakPolarHBondContact CA-O 3.49Å; S403-I409 PolarHBondContact N-O 3.46Å; S403-I409 PolarHBondContact O-N 3.18Å; S403-I409 VanDerWaalsContact OG-CG2 3.3Å; S403-I409 WeakPolarHBondContact OG-CG2 3.38Å; I409-N2484 WeakPolarHBondContact CD1-OD1 3.48Å; I409-T2485 HydrophobicContact CB-CG2 4.38Å; I409-T2485 HydrophobicContact CD1-CG2 3.52Å; I409-T2485 HydrophobicContact CG1-CG2 3.63Å; I409-N2486 VanDerWaalsContact CG1-OD1 3.3Å; I409-N2486 WeakPolarHBondContact CG1-OD1 3.19Å |
| 410 | N | 63.4 | Low | 67.1 | Low | 37 Ų | 37 | 60 Ų | 60 | 20% | 0.198 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 131.9 | 161.1 | -169.8 | 16.5 | 0 | 0 | 0 | 109.6 | G401 Y402 Y412 | G401-N410 PolarHBondContact O-OD1 3.47Å; Y402-N410 HydrophobicContact CD1-CB 4.43Å; Y402-N410 HydrophobicContact CE1-CB 4.22Å; N410-Y412 WeakPolarHBondContact O-CD2 3.31Å; N410-Y412 PolarHBondContact O-N 3.45Å; N410-Y412 VanDerWaalsContact O-N 3.08Å |
| 411 | I | 60.2 | Low | 67.1 | Low | 61 Ų | 61 | 61.2 Ų | 61.2 | 31% | 0.313 | 32% | 0.322 | S | S | . | . | trans | -77.8 | 96.1 | 174.5 | -58.5 | 174.3 | 0 | 0 | 0 | 107.2 | G401 D413 | G401-I411 WeakPolarHBondContact O-CB 3.42Å; G401-I411 PolarHBondContact O-N 3.2Å; I411-D413 VanDerWaalsContact C-N 3.26Å; I411-D413 PolarHBondContact O-N 3.28Å | ||
| 412 | Y | 55.7 | Low | 67.2 | Low | 141 Ų | 141 | 64.1 Ų | 64.1 | 55% | 0.553 | 33% | 0.331 | S | S | * | . | trans | -67.7 | 84.4 | 169.4 | -57.1 | -81.8 | 0 | 0 | 0 | 109.6 | N410 C414 F415 D427 | N410-Y412 WeakPolarHBondContact O-CD2 3.31Å; N410-Y412 PolarHBondContact O-N 3.45Å; N410-Y412 VanDerWaalsContact O-N 3.08Å; Y412-C414 PolarHBondContact O-N 3.16Å; Y412-C414 VanDerWaalsContact O-N 3.13Å; Y412-F415 WeakPolarHBondContact O-CB 3.45Å; Y412-F415 PolarHBondContact O-N 3.13Å; Y412-D427 WeakPolarHBondContact CA-OD1 3.16Å; Y412-D427 HydrophobicContact CD1-CB 4.09Å | ||
| 413 | D | 59.2 | Low | 67.1 | Low | 52 Ų | 52 | 63.1 Ų | 63.1 | 28% | 0.278 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -55.7 | -27.9 | 177.9 | -93.5 | -16.1 | 0 | 0 | 0 | 112.1 | I411 F415 N416 P418 D427 Y432 | I411-D413 VanDerWaalsContact C-N 3.26Å; I411-D413 PolarHBondContact O-N 3.28Å; D413-F415 PolarHBondContact O-N 3.47Å; D413-F415 VanDerWaalsContact O-N 3.17Å; D413-N416 PolarHBondContact O-N 2.91Å; D413-P418 WeakPolarHBondContact O-CD 3.03Å; D413-D427 PolarHBondContact N-OD1 3.03Å; D413-Y432 HydrophobicContact CB-CD1 3.64Å; D413-Y432 HydrophobicContact CB-CG 4.17Å |
| 414 | C | 70.1 | Confident | 67.3 | Low | 19 Ų | 19 | 66.2 Ų | 66.2 | 13% | 0.128 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -61.2 | -19.6 | 173.8 | -68 | 0 | 0 | 0 | 0 | 114.4 | Y412 N416 Q417 C425 K426 D427 | Y412-C414 PolarHBondContact O-N 3.16Å; Y412-C414 VanDerWaalsContact O-N 3.13Å; C414-N416 PolarHBondContact O-N 3.26Å; C414-N416 VanDerWaalsContact O-N 3.14Å; C414-Q417 PolarHBondContact O-N 3.18Å; C414-C425 WeakPolarHBondContact CA-SG 3.31Å; C414-C425 HydrophobicContact CB-CB 3.57Å; C414-C425 WeakPolarHBondContact CB-SG 3.39Å; C414-C425 WeakPolarHBondContact SG-CB 3.44Å; C414-C425 CovalentContact SG-SG 2.02Å; C414-C425 PolarHBondContact SG-SG 2.91Å; C414-K426 PolarHBondContact SG-N 3.16Å; C414-K426 VanDerWaalsContact SG-N 3.36Å; C414-D427 WeakPolarHBondContact CB-OD1 3.47Å; C414-D427 PolarHBondContact N-OD1 3.19Å; C414-D427 VanDerWaalsContact SG-CG 3.57Å; C414-D427 PolarHBondContact SG-OD1 2.71Å |
| 415 | F | 59.7 | Low | 67.6 | Low | 181 Ų | 181 | 67 Ų | 67 | 79% | 0.794 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -58.1 | -25.2 | 174.4 | -167.1 | -93 | 0 | 0 | 0 | 112.9 | Y412 D413 | Y412-F415 WeakPolarHBondContact O-CB 3.45Å; Y412-F415 PolarHBondContact O-N 3.13Å; D413-F415 PolarHBondContact O-N 3.47Å; D413-F415 VanDerWaalsContact O-N 3.17Å |
| 416 | N | 58.1 | Low | 67.7 | Low | 130 Ų | 130 | 66.6 Ų | 66.6 | 70% | 0.695 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -90.3 | 5.4 | 177.3 | -69.6 | -55.2 | 0 | 0 | 0 | 114.4 | D413 C414 | D413-N416 PolarHBondContact O-N 2.91Å; C414-N416 PolarHBondContact O-N 3.26Å; C414-N416 VanDerWaalsContact O-N 3.14Å |
| 417 | Q | 59.2 | Low | 67.2 | Low | 166 Ų | 166 | 67.4 Ų | 67.4 | 78% | 0.776 | 35% | 0.352 | S | S | * | . | trans | 45.8 | 58.7 | -169.5 | -65.2 | -171.4 | -18.4 | 0 | 0 | 113.1 | C414 C419 | C414-Q417 PolarHBondContact O-N 3.18Å; Q417-C419 PolarHBondContact O-N 3.47Å | ||
| 418 | P | 65.1 | Low | 66.4 | Low | 27 Ų | 27 | 72.6 Ų | 72.6 | 18% | 0.175 | 38% | 0.376 | C | S | . | . | trans | -69.3 | -20.9 | -179.3 | 31.8 | -36.6 | 0 | 0 | 0 | 112.2 | D413 Y432 H444 | D413-P418 WeakPolarHBondContact O-CD 3.03Å; P418-Y432 HydrophobicContact CB-CD1 4.19Å; P418-Y432 HydrophobicContact CB-CD2 3.86Å; P418-Y432 HydrophobicContact CB-CE1 3.92Å; P418-Y432 HydrophobicContact CB-CE2 3.58Å; P418-Y432 HydrophobicContact CB-CG 4.17Å; P418-Y432 HydrophobicContact CG-CD1 3.91Å; P418-Y432 HydrophobicContact CG-CD2 3.43Å; P418-Y432 VanDerWaalsContact CG-CD2 3.43Å; P418-Y432 HydrophobicContact CG-CE1 4.18Å; P418-Y432 HydrophobicContact CG-CE2 3.74Å; P418-Y432 HydrophobicContact CG-CG 3.55Å; P418-H444 WeakPolarHBondContact O-CB 2.85Å; P418-H444 PolarHBondContact O-ND1 3.48Å | ||
| 419 | C | 75 | Confident | 65.5 | Low | 10 Ų | 10 | 77.3 Ų | 77.3 | 7% | 0.068 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -77.9 | 128.6 | 165.7 | -44 | 0 | 0 | 0 | 0 | 109.7 | Q417 C425 C434 | Q417-C419 PolarHBondContact O-N 3.47Å; C419-C425 HydrophobicContact CB-CB 4.44Å; C419-C425 VanDerWaalsContact SG-CA 3.52Å; C419-C425 WeakPolarHBondContact SG-CB 3.43Å; C419-C434 WeakPolarHBondContact CA-SG 3.25Å; C419-C434 HydrophobicContact CB-CB 3.88Å; C419-C434 WeakPolarHBondContact CB-SG 3.24Å; C419-C434 WeakPolarHBondContact SG-CA 3.37Å; C419-C434 WeakPolarHBondContact SG-CB 3.48Å; C419-C434 CovalentContact SG-SG 2.03Å; C419-C434 PolarHBondContact SG-SG 3.01Å |
| 420 | G | 64.9 | Low | 64.5 | Low | 32 Ų | 32 | 79.8 Ų | 79.8 | 33% | 0.33 | 41% | 0.414 | S | S | . | . | trans | -62.9 | 171 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y422 G423 H444 | G420-Y422 PolarHBondContact O-N 3.27Å; G420-G423 PolarHBondContact O-N 2.77Å; G420-H444 PolarHBondContact N-O 3.04Å | ||
| 421 | S | 62.3 | Low | 64.3 | Low | 112 Ų | 112 | 78.8 Ų | 78.8 | 78% | 0.783 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 3.8 | -168.8 | -40.6 | 0 | 0 | 0 | 0 | 117.9 | ||
| 422 | Y | 65 | Low | 64.9 | Low | 70 Ų | 70 | 78.1 Ų | 78.1 | 28% | 0.275 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.9 | 27.8 | -179.1 | -49 | -64.5 | 0 | 0 | 0 | 112.6 | G420 L437 W440 Y539 | G420-Y422 PolarHBondContact O-N 3.27Å; Y422-L437 WeakPolarHBondContact O-CB 3.27Å; Y422-L437 PolarHBondContact O-N 2.84Å; Y422-W440 VanDerWaalsContact CB-CD1 3.49Å; Y422-W440 AromaticContact CD2-CD2 3.96Å; Y422-W440 HydrophobicContact CD2-CD2 3.96Å; Y422-W440 AromaticContact CD2-CE2 3.45Å; Y422-W440 VanDerWaalsContact CD2-CE2 3.45Å; Y422-W440 HydrophobicContact CD2-CE3 4.31Å; Y422-W440 AromaticContact CD2-CH2 3.79Å; Y422-W440 HydrophobicContact CD2-CH2 3.79Å; Y422-W440 AromaticContact CD2-CZ2 3.37Å; Y422-W440 HydrophobicContact CD2-CZ2 3.37Å; Y422-W440 HydrophobicContact CD2-CZ3 4.24Å; Y422-W440 AromaticContact CD2-NE1 3.85Å; Y422-W440 AromaticContact CE2-CH2 3.86Å; Y422-W440 HydrophobicContact CE2-CH2 3.86Å; Y422-W440 AromaticContact CE2-CZ2 3.53Å; Y422-W440 HydrophobicContact CE2-CZ2 3.53Å; Y422-W440 HydrophobicContact CG-CD2 4.17Å; Y422-W440 AromaticContact CG-CE2 3.62Å; Y422-W440 HydrophobicContact CG-CG 4.41Å; Y422-W440 AromaticContact CG-CZ2 3.95Å; Y422-W440 HydrophobicContact CG-CZ2 3.95Å; Y422-W440 AromaticContact CG-NE1 3.49Å; Y422-Y539 WeakPolarHBondContact CD1-OH 3.46Å; Y422-Y539 WeakPolarHBondContact CE1-OH 3.4Å |
| 423 | G | 72.1 | Confident | 65.9 | Low | 19 Ų | 19 | 75.7 Ų | 75.7 | 20% | 0.196 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 141.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G420 E435 | G420-G423 PolarHBondContact O-N 2.77Å; G423-E435 CarbonylContact C-O 3.47Å; G423-E435 VanDerWaalsContact CA-O 3.32Å; G423-E435 WeakPolarHBondContact CA-O 3.31Å |
| 424 | I | 76.3 | Confident | 67 | Low | 102 Ų | 102 | 73.9 Ų | 73.9 | 52% | 0.523 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 130.6 | 171.4 | -60.1 | 175.1 | 0 | 0 | 0 | 107.5 | C434 E435 | I424-C434 CarbonylContact O-C 3.45Å; I424-C434 WeakPolarHBondContact O-CA 3.38Å; I424-E435 HydrophobicContact CB-CB 4.46Å; I424-E435 PolarHBondContact N-O 3.31Å; I424-E435 PolarHBondContact O-N 3.41Å |
| 425 | C | 80.7 | Confident | 67.4 | Low | 35 Ų | 35 | 76.9 Ų | 76.9 | 24% | 0.236 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 134.8 | 177.8 | -160.1 | 0 | 0 | 0 | 0 | 110.8 | C414 C419 | C414-C425 WeakPolarHBondContact CA-SG 3.31Å; C414-C425 HydrophobicContact CB-CB 3.57Å; C414-C425 WeakPolarHBondContact CB-SG 3.39Å; C414-C425 WeakPolarHBondContact SG-CB 3.44Å; C414-C425 CovalentContact SG-SG 2.02Å; C414-C425 PolarHBondContact SG-SG 2.91Å; C419-C425 HydrophobicContact CB-CB 4.44Å; C419-C425 VanDerWaalsContact SG-CA 3.52Å; C419-C425 WeakPolarHBondContact SG-CB 3.43Å |
| 426 | K | 74.7 | Confident | 68.3 | Low | 95 Ų | 95 | 70.3 Ų | 70.3 | 41% | 0.413 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 128.7 | 169.4 | -67.8 | -177.8 | 174.6 | 175.1 | 0 | 108.8 | C414 Y432 H433 E435 | C414-K426 PolarHBondContact SG-N 3.16Å; C414-K426 VanDerWaalsContact SG-N 3.36Å; K426-Y432 CarbonylContact O-C 3.38Å; K426-Y432 WeakPolarHBondContact O-CA 3.21Å; K426-H433 PolarHBondContact N-O 3.01Å; K426-H433 PolarHBondContact O-N 3.23Å; K426-E435 HydrophobicContact CD-CG 4.26Å; K426-E435 WeakPolarHBondContact CE-OE1 3.12Å; K426-E435 WeakPolarHBondContact CE-OE2 3.41Å; K426-E435 IonicContact NZ-OE1 2.74Å; K426-E435 PolarHBondContact NZ-OE1 2.93Å; K426-E435 IonicContact NZ-OE2 3.91Å; K426-E435 PolarHBondContact NZ-OE2 3.45Å |
| 427 | D | 66.9 | Low | 68.7 | Low | 58 Ų | 58 | 67.9 Ų | 67.9 | 31% | 0.31 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 134.1 | 177.2 | -57.1 | -79.3 | 0 | 0 | 0 | 110.5 | Y412 D413 C414 | Y412-D427 WeakPolarHBondContact CA-OD1 3.16Å; Y412-D427 HydrophobicContact CD1-CB 4.09Å; D413-D427 PolarHBondContact N-OD1 3.03Å; C414-D427 WeakPolarHBondContact CB-OD1 3.47Å; C414-D427 PolarHBondContact N-OD1 3.19Å; C414-D427 VanDerWaalsContact SG-CG 3.57Å; C414-D427 PolarHBondContact SG-OD1 2.71Å |
| 428 | E | 62.5 | Low | 68.7 | Low | 108 Ų | 108 | 68 Ų | 68 | 51% | 0.505 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 165.9 | 171.2 | -67.4 | -171.7 | 162.3 | 0 | 0 | 109 | D430 G431 H433 | E428-D430 PolarHBondContact O-N 3.43Å; E428-G431 CarbonylContact C-O 2.97Å; E428-G431 PolarHBondContact N-O 2.85Å; E428-G431 PolarHBondContact O-N 2.76Å; E428-H433 HydrophobicContact CG-CB 4.17Å; E428-H433 IonicContact OE1-CG 3.2Å; E428-H433 IonicContact OE1-ND1 3.94Å |
| 429 | I | 53.7 | Low | 68.4 | Low | 121 Ų | 121 | 68.3 Ų | 68.3 | 62% | 0.621 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | 117.4 | 173.7 | -61.3 | 172.9 | 0 | 0 | 0 | 107.7 | Y402 | Y402-I429 HydrophobicContact CE2-CG2 3.63Š|
| 430 | D | 49.6 | Very low | 68.1 | Low | 100 Ų | 100 | 70.5 Ų | 70.5 | 54% | 0.535 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | 37.2 | -173.4 | -156.2 | 14.5 | 0 | 0 | 0 | 114.8 | P400 G401 E428 | P400-D430 VanDerWaalsContact C-CG 3.45Å; P400-D430 WeakPolarHBondContact CB-OD1 3.27Å; G401-D430 PolarHBondContact N-OD1 3.36Å; G401-D430 VanDerWaalsContact N-OD1 3.17Å; E428-D430 PolarHBondContact O-N 3.43Å |
| 431 | G | 60.4 | Low | 68.2 | Low | 15 Ų | 15 | 72.7 Ų | 72.7 | 16% | 0.155 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168 | -161.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | E428 | E428-G431 CarbonylContact C-O 2.97Å; E428-G431 PolarHBondContact N-O 2.85Å; E428-G431 PolarHBondContact O-N 2.76Å |
| 432 | Y | 71.5 | Confident | 68.6 | Low | 48 Ų | 48 | 68.9 Ų | 68.9 | 19% | 0.188 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 144.8 | 173.5 | 60.9 | -81.2 | 0 | 0 | 0 | 110.3 | D413 P418 K426 H444 | D413-Y432 HydrophobicContact CB-CD1 3.64Å; D413-Y432 HydrophobicContact CB-CG 4.17Å; P418-Y432 HydrophobicContact CB-CD1 4.19Å; P418-Y432 HydrophobicContact CB-CD2 3.86Å; P418-Y432 HydrophobicContact CB-CE1 3.92Å; P418-Y432 HydrophobicContact CB-CE2 3.58Å; P418-Y432 HydrophobicContact CB-CG 4.17Å; P418-Y432 HydrophobicContact CG-CD1 3.91Å; P418-Y432 HydrophobicContact CG-CD2 3.43Å; P418-Y432 VanDerWaalsContact CG-CD2 3.43Å; P418-Y432 HydrophobicContact CG-CE1 4.18Å; P418-Y432 HydrophobicContact CG-CE2 3.74Å; P418-Y432 HydrophobicContact CG-CG 3.55Å; K426-Y432 CarbonylContact O-C 3.38Å; K426-Y432 WeakPolarHBondContact O-CA 3.21Å; Y432-H444 PolarHBondContact OH-CE1 2.92Å; Y432-H444 PolarHBondContact OH-ND1 2.83Å |
| 433 | H | 77.9 | Confident | 68.5 | Low | 89 Ų | 89 | 71.4 Ų | 71.4 | 41% | 0.412 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 126.4 | 170.7 | -169.6 | 93.7 | 0 | 0 | 0 | 110.3 | K426 E428 | K426-H433 PolarHBondContact N-O 3.01Å; K426-H433 PolarHBondContact O-N 3.23Å; E428-H433 HydrophobicContact CG-CB 4.17Å; E428-H433 IonicContact OE1-CG 3.2Å; E428-H433 IonicContact OE1-ND1 3.94Å |
| 434 | C | 81.4 | Confident | 68.6 | Low | 14 Ų | 14 | 73.9 Ų | 73.9 | 10% | 0.095 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 104.8 | 173.8 | -67.6 | 0 | 0 | 0 | 0 | 111.4 | C419 I424 C436 L443 C445 | C419-C434 WeakPolarHBondContact CA-SG 3.25Å; C419-C434 HydrophobicContact CB-CB 3.88Å; C419-C434 WeakPolarHBondContact CB-SG 3.24Å; C419-C434 WeakPolarHBondContact SG-CA 3.37Å; C419-C434 WeakPolarHBondContact SG-CB 3.48Å; C419-C434 CovalentContact SG-SG 2.03Å; C419-C434 PolarHBondContact SG-SG 3.01Å; I424-C434 CarbonylContact O-C 3.45Å; I424-C434 WeakPolarHBondContact O-CA 3.38Å; C434-C436 PolarHBondContact O-N 3.08Å; C434-C436 VanDerWaalsContact O-N 3.14Å; C434-L443 WeakPolarHBondContact CB-O 3.23Å; C434-L443 PolarHBondContact SG-O 3.41Å; C434-C445 VanDerWaalsContact CB-SG 3.5Å |
| 435 | E | 77.5 | Confident | 68.6 | Low | 83 Ų | 83 | 69 Ų | 69 | 39% | 0.388 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 99.1 | 170.1 | -69.7 | -168.2 | 158.2 | 0 | 0 | 110 | G423 I424 K426 | G423-E435 CarbonylContact C-O 3.47Å; G423-E435 VanDerWaalsContact CA-O 3.32Å; G423-E435 WeakPolarHBondContact CA-O 3.31Å; I424-E435 HydrophobicContact CB-CB 4.46Å; I424-E435 PolarHBondContact N-O 3.31Å; I424-E435 PolarHBondContact O-N 3.41Å; K426-E435 HydrophobicContact CD-CG 4.26Å; K426-E435 WeakPolarHBondContact CE-OE1 3.12Å; K426-E435 WeakPolarHBondContact CE-OE2 3.41Å; K426-E435 IonicContact NZ-OE1 2.74Å; K426-E435 PolarHBondContact NZ-OE1 2.93Å; K426-E435 IonicContact NZ-OE2 3.91Å; K426-E435 PolarHBondContact NZ-OE2 3.45Å |
| 436 | C | 78.9 | Confident | 68.1 | Low | 43 Ų | 43 | 72.1 Ų | 72.1 | 29% | 0.291 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 136.3 | -175.3 | -54.6 | 0 | 0 | 0 | 0 | 113.4 | C434 W440 C445 | C434-C436 PolarHBondContact O-N 3.08Å; C434-C436 VanDerWaalsContact O-N 3.14Å; C436-W440 HydrophobicContact CB-CB 4.13Å; C436-W440 VanDerWaalsContact CB-O 3.29Å; C436-W440 WeakPolarHBondContact CB-O 3.49Å; C436-C445 WeakPolarHBondContact CA-SG 3.4Å; C436-C445 HydrophobicContact CB-CB 3.73Å; C436-C445 WeakPolarHBondContact CB-SG 3.33Å; C436-C445 PolarHBondContact N-SG 2.7Å; C436-C445 WeakPolarHBondContact SG-CA 3.04Å; C436-C445 WeakPolarHBondContact SG-CB 3.44Å; C436-C445 CovalentContact SG-SG 2.03Å; C436-C445 PolarHBondContact SG-SG 2.95Å |
| 437 | L | 66.6 | Low | 67.3 | Low | 79 Ų | 79 | 73.6 Ų | 73.6 | 41% | 0.414 | 38% | 0.378 | S | S | . | . | trans | -60.3 | 144.7 | 169.6 | -66.1 | -179.5 | 0 | 0 | 0 | 110.5 | Y422 G439 W440 | Y422-L437 WeakPolarHBondContact O-CB 3.27Å; Y422-L437 PolarHBondContact O-N 2.84Å; L437-G439 PolarHBondContact O-N 3.12Å; L437-W440 PolarHBondContact O-N 3.17Å | ||
| 438 | K | 58.7 | Low | 66.4 | Low | 169 Ų | 169 | 73.3 Ų | 73.3 | 74% | 0.735 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 104.8 | -167.1 | -157.3 | 170.9 | -169.5 | 169 | 0 | 112.7 | ||
| 439 | G | 58.7 | Low | 65.5 | Low | 32 Ų | 32 | 70.5 Ų | 70.5 | 33% | 0.33 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 117 | -8.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L437 S449 | L437-G439 PolarHBondContact O-N 3.12Å; G439-S449 PolarHBondContact O-N 3.35Å |
| 440 | W | 69.1 | Low | 64.5 | Low | 56 Ų | 56 | 68.5 Ų | 68.5 | 21% | 0.212 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 154 | 168.1 | -60.8 | 92 | 0 | 0 | 0 | 110.7 | Y422 C436 L437 C445 K447 K448 | Y422-W440 VanDerWaalsContact CB-CD1 3.49Å; Y422-W440 AromaticContact CD2-CD2 3.96Å; Y422-W440 HydrophobicContact CD2-CD2 3.96Å; Y422-W440 AromaticContact CD2-CE2 3.45Å; Y422-W440 VanDerWaalsContact CD2-CE2 3.45Å; Y422-W440 HydrophobicContact CD2-CE3 4.31Å; Y422-W440 AromaticContact CD2-CH2 3.79Å; Y422-W440 HydrophobicContact CD2-CH2 3.79Å; Y422-W440 AromaticContact CD2-CZ2 3.37Å; Y422-W440 HydrophobicContact CD2-CZ2 3.37Å; Y422-W440 HydrophobicContact CD2-CZ3 4.24Å; Y422-W440 AromaticContact CD2-NE1 3.85Å; Y422-W440 AromaticContact CE2-CH2 3.86Å; Y422-W440 HydrophobicContact CE2-CH2 3.86Å; Y422-W440 AromaticContact CE2-CZ2 3.53Å; Y422-W440 HydrophobicContact CE2-CZ2 3.53Å; Y422-W440 HydrophobicContact CG-CD2 4.17Å; Y422-W440 AromaticContact CG-CE2 3.62Å; Y422-W440 HydrophobicContact CG-CG 4.41Å; Y422-W440 AromaticContact CG-CZ2 3.95Å; Y422-W440 HydrophobicContact CG-CZ2 3.95Å; Y422-W440 AromaticContact CG-NE1 3.49Å; C436-W440 HydrophobicContact CB-CB 4.13Å; C436-W440 VanDerWaalsContact CB-O 3.29Å; C436-W440 WeakPolarHBondContact CB-O 3.49Å; L437-W440 PolarHBondContact O-N 3.17Å; W440-C445 HydrophobicContact CB-CB 4.42Å; W440-K447 CarbonylContact C-O 3.49Å; W440-K447 WeakPolarHBondContact CA-O 3.16Å; W440-K448 HydrophobicContact CE3-CB 4.39Å; W440-K448 HydrophobicContact CZ3-CB 4.37Å |
| 441 | E | 68.2 | Low | 63.5 | Low | 78 Ų | 78 | 69.1 Ų | 69.1 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 173.5 | -177.1 | 70.8 | -174.4 | -166.1 | 0 | 0 | 111.7 | K447 S449 | E441-K447 HydrophobicContact CG-CB 3.81Å; E441-K447 PolarHBondContact N-O 3.36Å; E441-K447 WeakPolarHBondContact O-CB 3.43Å; E441-K447 PolarHBondContact O-N 2.91Å; E441-S449 VanDerWaalsContact CD-CA 3.43Å; E441-S449 VanDerWaalsContact OE2-CA 3.26Å; E441-S449 WeakPolarHBondContact OE2-CA 3.24Å; E441-S449 WeakPolarHBondContact OE2-CB 3.35Å; E441-S449 PolarHBondContact OE2-OG 3.38Å |
| 442 | G | 69.2 | Low | 61.9 | Low | 32 Ų | 32 | 73.3 Ų | 73.3 | 33% | 0.33 | 40% | 0.398 | S | S | . | . | S | Bend | trans | 84.8 | 163.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | H444 C445 | G442-H444 PolarHBondContact O-N 2.93Å; G442-C445 PolarHBondContact O-N 2.92Å |
| 443 | L | 64.5 | Low | 59.7 | Low | 124 Ų | 124 | 80.6 Ų | 80.6 | 65% | 0.649 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -22.6 | -165.8 | -152 | 78.9 | 0 | 0 | 0 | 115.7 | C434 | C434-L443 WeakPolarHBondContact CB-O 3.23Å; C434-L443 PolarHBondContact SG-O 3.41Å |
| 444 | H | 73.8 | Confident | 57.2 | Low | 70 Ų | 70 | 82.1 Ų | 82.1 | 32% | 0.324 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120 | 14.7 | 179.6 | -54.5 | -91.9 | 0 | 0 | 0 | 112.7 | P418 G420 Y432 G442 N446 | P418-H444 WeakPolarHBondContact O-CB 2.85Å; P418-H444 PolarHBondContact O-ND1 3.48Å; G420-H444 PolarHBondContact N-O 3.04Å; Y432-H444 PolarHBondContact OH-CE1 2.92Å; Y432-H444 PolarHBondContact OH-ND1 2.83Å; G442-H444 PolarHBondContact O-N 2.93Å; H444-N446 HydrophobicContact CB-CB 4.3Å; H444-N446 PolarHBondContact O-N 3.42Å; H444-N446 VanDerWaalsContact O-N 3.08Å |
| 445 | C | 75.9 | Confident | 54.5 | Low | 1 Ų | 1 | 87.5 Ų | 87.5 | 1% | 0.007 | 47% | 0.474 | C | S | . | . | S | Bend | trans | 51.6 | 30.6 | -172.2 | -54 | 0 | 0 | 0 | 0 | 114.8 | C434 C436 W440 G442 | C434-C445 VanDerWaalsContact CB-SG 3.5Å; C436-C445 WeakPolarHBondContact CA-SG 3.4Å; C436-C445 HydrophobicContact CB-CB 3.73Å; C436-C445 WeakPolarHBondContact CB-SG 3.33Å; C436-C445 PolarHBondContact N-SG 2.7Å; C436-C445 WeakPolarHBondContact SG-CA 3.04Å; C436-C445 WeakPolarHBondContact SG-CB 3.44Å; C436-C445 CovalentContact SG-SG 2.03Å; C436-C445 PolarHBondContact SG-SG 2.95Å; W440-C445 HydrophobicContact CB-CB 4.42Å; G442-C445 PolarHBondContact O-N 2.92Å |
| 446 | N | 70.2 | Confident | 51.9 | Low | 99 Ų | 99 | 88.7 Ų | 88.7 | 53% | 0.529 | 49% | 0.487 | S | S | . | . | trans | -103.6 | -1.7 | -174.4 | 64 | -3 | 0 | 0 | 0 | 113.6 | H444 | H444-N446 HydrophobicContact CB-CB 4.3Å; H444-N446 PolarHBondContact O-N 3.42Å; H444-N446 VanDerWaalsContact O-N 3.08Å | ||
| 447 | K | 58.7 | Low | 49.2 | Very low | 127 Ų | 127 | 93.2 Ų | 93.2 | 55% | 0.552 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 148.7 | 169.9 | -57.8 | 176.8 | -176 | 175.3 | 0 | 109.2 | W440 E441 | W440-K447 CarbonylContact C-O 3.49Å; W440-K447 WeakPolarHBondContact CA-O 3.16Å; E441-K447 HydrophobicContact CG-CB 3.81Å; E441-K447 PolarHBondContact N-O 3.36Å; E441-K447 WeakPolarHBondContact O-CB 3.43Å; E441-K447 PolarHBondContact O-N 2.91Å |
| 448 | K | 46.8 | Very low | 47.2 | Very low | 51 Ų | 51 | 98.1 Ų | 98.1 | 22% | 0.222 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 115.2 | -179.5 | -171.3 | 155.3 | -171.9 | 154.2 | 0 | 109.6 | W440 N488 | W440-K448 HydrophobicContact CE3-CB 4.39Å; W440-K448 HydrophobicContact CZ3-CB 4.37Å; K448-N488 WeakPolarHBondContact CE-O 3.4Å; K448-N488 HydrophobicContact CG-CB 4.49Å; K448-N488 PolarHBondContact NZ-O 2.04Å |
| 449 | S | 43.3 | Very low | 45.5 | Very low | 49 Ų | 49 | 97.1 Ų | 97.1 | 34% | 0.343 | 52% | 0.515 | S | S | . | . | trans | -59.9 | 139.3 | -171.4 | -164.8 | 0 | 0 | 0 | 0 | 111.6 | G439 E441 N488 | G439-S449 PolarHBondContact O-N 3.35Å; E441-S449 VanDerWaalsContact CD-CA 3.43Å; E441-S449 VanDerWaalsContact OE2-CA 3.26Å; E441-S449 WeakPolarHBondContact OE2-CA 3.24Å; E441-S449 WeakPolarHBondContact OE2-CB 3.35Å; E441-S449 PolarHBondContact OE2-OG 3.38Å; S449-N488 VanDerWaalsContact O-CG 3.3Å; S449-N488 PolarHBondContact O-ND2 3.31Å | ||
| 450 | S | 33.9 | Very low | 43.7 | Very low | 80 Ų | 80 | 101 Ų | 101 | 56% | 0.559 | 53% | 0.529 | S | S | * | . | trans | -132.1 | 122.5 | -166.5 | 67.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 451 | S | 28.9 | Very low | 41.4 | Very low | 112 Ų | 112 | 103 Ų | 103 | 78% | 0.783 | 55% | 0.547 | S | S | * | . | trans | 74.8 | 106.2 | 176.4 | 74.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 452 | T | 26 | Very low | 39.3 | Very low | 104 Ų | 104 | 105 Ų | 105 | 64% | 0.638 | 56% | 0.556 | S | S | * | * | trans | -73.9 | 149.9 | 165.6 | 53.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 453 | K | 26.1 | Very low | 37.1 | Very low | 200 Ų | 200 | 109.6 Ų | 109.6 | 87% | 0.87 | 58% | 0.583 | S | S | * | * | trans | -135.7 | 86.8 | 156.6 | -155.8 | 180 | -175.7 | -171.7 | 0 | 113 | ||||
| 454 | L | 24.4 | Very low | 35.1 | Very low | 122 Ų | 122 | 110.4 Ų | 110.4 | 64% | 0.639 | 59% | 0.588 | S | S | * | * | trans | 20.9 | 104.3 | 162.2 | -60.3 | 93.8 | 0 | 0 | 0 | 117.9 | T456 | L454-T456 HydrophobicContact CD2-CG2 4.1Š| ||
| 455 | V | 24.4 | Very low | 32.6 | Very low | 127 Ų | 127 | 112.8 Ų | 112.8 | 77% | 0.77 | 61% | 0.613 | S | S | * | * | -87.6 | 124.9 | 121.8 | 170.6 | 0 | 0 | 0 | 0 | 106.6 | Y457 | V455-Y457 HydrophobicContact CG1-CD2 4.33Å; V455-Y457 PolarHBondContact O-N 2.9Å | |||
| 456 | T | 24 | Very low | 30.1 | Very low | 108 Ų | 108 | 120.7 Ų | 120.7 | 66% | 0.663 | 65% | 0.652 | S | S | * | * | trans | -72.5 | 99.9 | 167.7 | 42.2 | 0 | 0 | 0 | 0 | 109 | L454 E458 | L454-T456 HydrophobicContact CD2-CG2 4.1Å; T456-E458 PolarHBondContact O-N 3.25Å | ||
| 457 | Y | 22.6 | Very low | 27.8 | Very low | 138 Ų | 138 | 119.9 Ų | 119.9 | 54% | 0.541 | 65% | 0.647 | S | S | . | * | trans | -68.3 | 111.2 | 155.6 | -92.3 | -98.8 | 0 | 0 | 0 | 107.6 | V455 | V455-Y457 HydrophobicContact CG1-CD2 4.33Å; V455-Y457 PolarHBondContact O-N 2.9Å | ||
| 458 | E | 24.1 | Very low | 26.2 | Very low | 182 Ų | 182 | 120.1 Ų | 120.1 | 85% | 0.85 | 65% | 0.654 | S | S | * | * | trans | -67.5 | 159.7 | 160.2 | -69 | -165.3 | 117.2 | 0 | 0 | 109.9 | T456 | T456-E458 PolarHBondContact O-N 3.25Š| ||
| 459 | K | 23.5 | Very low | 25 | Very low | 148 Ų | 148 | 126 Ų | 126 | 64% | 0.643 | 69% | 0.686 | S | S | * | * | trans | -64.7 | 134 | -154.9 | -61.7 | 178.8 | 173.9 | -171.3 | 0 | 114.4 | T461 | K459-T461 HydrophobicContact CB-CG2 4.44Å; K459-T461 HydrophobicContact CD-CG2 4.41Å; K459-T461 PolarHBondContact O-N 3.15Å | ||
| 460 | N | 20.5 | Very low | 24.1 | Very low | 114 Ų | 114 | 132.1 Ų | 132.1 | 61% | 0.61 | 71% | 0.712 | S | S | * | * | trans | -80.1 | 102.2 | 140.3 | -80.8 | -25.3 | 0 | 0 | 0 | 108.7 | I1224 | N460-I1224 PolarHBondContact ND2-O 2.9Š| ||
| 461 | T | 21.1 | Very low | 23.6 | Very low | 97 Ų | 97 | 134.2 Ų | 134.2 | 60% | 0.595 | 72% | 0.717 | S | S | * | * | trans | -153.3 | 122.1 | 162.5 | 50.6 | 0 | 0 | 0 | 0 | 106.3 | K459 | K459-T461 HydrophobicContact CB-CG2 4.44Å; K459-T461 HydrophobicContact CD-CG2 4.41Å; K459-T461 PolarHBondContact O-N 3.15Å | ||
| 462 | E | 24.3 | Very low | 23.3 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 56% | 0.556 | 71% | 0.714 | S | S | * | * | cis | -135.1 | 135.8 | 16.4 | -63 | 150.7 | -140.2 | 0 | 0 | 112 | R1148 | E462-R1148 IonicContact OE1-CZ 3Å; E462-R1148 IonicContact OE1-NH1 2.73Å; E462-R1148 PolarHBondContact OE1-NH1 2.78Å; E462-R1148 IonicContact OE2-CZ 3.98Å; E462-R1148 VanDerWaalsContact OE2-CZ 3.23Å; E462-R1148 IonicContact OE2-NH1 2.67Å; E462-R1148 PolarHBondContact OE2-NH1 3.47Å; E462-R1148 IonicContact OE2-NH2 3.1Å; E462-R1148 PolarHBondContact OE2-NH2 2.97Å | ||
| 463 | S | 21.5 | Very low | 23.2 | Very low | 129 Ų | 129 | 136.2 Ų | 136.2 | 90% | 0.902 | 72% | 0.719 | S | S | * | * | trans | -125.4 | 61.7 | 133.1 | 66.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 464 | D | 22.4 | Very low | 23 | Very low | 142 Ų | 142 | 131.3 Ų | 131.3 | 76% | 0.759 | 71% | 0.71 | S | S | * | * | trans | -117 | 112 | 172.2 | -111.6 | -38.2 | 0 | 0 | 0 | 108.4 | M466 | D464-M466 PolarHBondContact O-N 2.84Š| ||
| 465 | S | 22.1 | Very low | 22.8 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 84% | 0.839 | 72% | 0.717 | S | S | * | * | trans | -70.6 | 112.3 | 173 | -68.7 | 0 | 0 | 0 | 0 | 108 | L467 | S465-L467 PolarHBondContact O-N 3.3Š| ||
| 466 | M | 22.6 | Very low | 22.7 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 82% | 0.823 | 71% | 0.714 | S | S | * | * | trans | -61.6 | 113.1 | 176.5 | -164.7 | -163.1 | 157 | 0 | 0 | 109.8 | D464 L468 | D464-M466 PolarHBondContact O-N 2.84Å; M466-L468 PolarHBondContact O-N 3.27Å | ||
| 467 | L | 23.3 | Very low | 22.6 | Very low | 82 Ų | 82 | 139.4 Ų | 139.4 | 43% | 0.429 | 73% | 0.726 | S | S | . | * | S | Bend | trans | -4.8 | 117 | 138.6 | -168 | 77.3 | 0 | 0 | 0 | 114 | S465 I532 | S465-L467 PolarHBondContact O-N 3.3Å; L467-I532 HydrophobicContact CD1-CD1 4.33Å; L467-I532 HydrophobicContact CD1-CG1 4.06Å; L467-I532 HydrophobicContact CD1-CG2 4.45Å; L467-I532 HydrophobicContact CD2-CD1 4.23Å |
| 468 | L | 24.1 | Very low | 22.5 | Very low | 132 Ų | 132 | 140.1 Ų | 140.1 | 69% | 0.691 | 73% | 0.734 | S | S | * | * | trans | 31.3 | 115.1 | 161.4 | -69.1 | 90 | 0 | 0 | 0 | 118.2 | M466 M470 | M466-L468 PolarHBondContact O-N 3.27Å; L468-M470 PolarHBondContact O-N 3.08Å | ||
| 469 | L | 22.1 | Very low | 22.5 | Very low | 173 Ų | 173 | 140.6 Ų | 140.6 | 91% | 0.906 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -67.6 | 74 | 154.2 | -111.9 | 173.2 | 0 | 0 | 0 | 111.6 | ||
| 470 | M | 25.1 | Very low | 22.4 | Very low | 178 Ų | 178 | 139.8 Ų | 139.8 | 88% | 0.877 | 74% | 0.736 | S | S | * | * | trans | -140.2 | 119.5 | 150.5 | -77.2 | -153.5 | 170 | 0 | 0 | 109 | L468 | L468-M470 PolarHBondContact O-N 3.08Š| ||
| 471 | N | 22.5 | Very low | 22.5 | Very low | 124 Ų | 124 | 142.5 Ų | 142.5 | 66% | 0.663 | 75% | 0.745 | S | S | * | * | trans | -131.1 | 136 | -158.1 | -164.8 | -2 | 0 | 0 | 0 | 111.4 | ||||
| 472 | N | 23.1 | Very low | 22.7 | Very low | 138 Ų | 138 | 142.6 Ų | 142.6 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | trans | 65.8 | 152.2 | -179.9 | -53.5 | -63.1 | 0 | 0 | 0 | 115.3 | ||||
| 473 | T | 22.7 | Very low | 22.8 | Very low | 120 Ų | 120 | 147.7 Ų | 147.7 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | cis | -151 | 163.5 | 32 | 49.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 474 | S | 22.5 | Very low | 23.4 | Very low | 98 Ų | 98 | 147.2 Ų | 147.2 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | trans | 62.3 | 117.1 | 160.2 | 52.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 475 | Q | 21.3 | Very low | 23.8 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | 67.1 | 138.6 | 71.2 | -74.6 | -166.5 | -56 | 0 | 0 | 115 | |||||
| 476 | E | 20.6 | Very low | 24.5 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 70% | 0.696 | 71% | 0.709 | S | S | * | * | cis | -173.7 | 130.7 | -12.2 | 178.1 | 177.4 | -79.3 | 0 | 0 | 108.3 | ||||
| 477 | F | 22.9 | Very low | 25.3 | Very low | 208 Ų | 208 | 139.5 Ų | 139.5 | 91% | 0.912 | 70% | 0.702 | S | S | * | * | trans | -165 | 140.9 | 156.8 | -110.3 | -68.7 | 0 | 0 | 0 | 112.8 | ||||
| 478 | H | 20.5 | Very low | 26.3 | Very low | 154 Ų | 154 | 138.2 Ų | 138.2 | 71% | 0.713 | 70% | 0.696 | S | S | * | * | trans | -65.1 | 149 | -177.4 | -59.7 | -90.6 | 0 | 0 | 0 | 114.6 | ||||
| 479 | F | 23.5 | Very low | 27.5 | Very low | 192 Ų | 192 | 135 Ų | 135 | 84% | 0.842 | 68% | 0.675 | S | S | * | * | -169.2 | 112.3 | 99.9 | -116.3 | -89.1 | 0 | 0 | 0 | 115.3 | |||||
| 480 | N | 21.1 | Very low | 29.1 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 70% | 0.695 | 65% | 0.654 | S | S | * | * | trans | 11.9 | 141.1 | 141.7 | -89.2 | -39.1 | 0 | 0 | 0 | 122.8 | ||||
| 481 | Q | 23.2 | Very low | 30.9 | Very low | 172 Ų | 172 | 125 Ų | 125 | 80% | 0.804 | 62% | 0.62 | S | S | * | * | trans | 100.9 | 95.7 | 146.6 | -71.3 | 168.7 | 25.2 | 0 | 0 | 122.2 | ||||
| 482 | S | 25.4 | Very low | 32.7 | Very low | 99 Ų | 99 | 119.5 Ų | 119.5 | 69% | 0.692 | 59% | 0.592 | S | S | * | * | 95.8 | 122.4 | 111.9 | 75.8 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 483 | R | 26.1 | Very low | 34.3 | Very low | 226 Ų | 226 | 116.2 Ų | 116.2 | 85% | 0.853 | 57% | 0.574 | S | S | * | * | 92.3 | 131.2 | 126.3 | -85.3 | 177.2 | -177.6 | -158.5 | 1.1 | 122.6 | |||||
| 484 | L | 33.7 | Very low | 35.9 | Very low | 119 Ų | 119 | 116.8 Ų | 116.8 | 62% | 0.623 | 58% | 0.583 | S | S | * | * | trans | 83 | 92.4 | 140.5 | -70.5 | 163.1 | 0 | 0 | 0 | 120.4 | P486 | L484-P486 HydrophobicContact CD2-CG 4.44Š| ||
| 485 | C | 32 | Very low | 37.8 | Very low | 51 Ų | 51 | 112.7 Ų | 112.7 | 35% | 0.345 | 56% | 0.555 | S | S | . | * | -113.8 | 135.9 | 113.7 | -84.8 | 0 | 0 | 0 | 0 | 110.3 | C497 F499 | C485-C497 HydrophobicContact CB-CB 3.81Å; C485-C497 WeakPolarHBondContact CB-SG 3.04Å; C485-C497 WeakPolarHBondContact SG-CB 3.47Å; C485-C497 PolarHBondContact SG-O 3.34Å; C485-C497 VanDerWaalsContact SG-O 3.4Å; C485-C497 CovalentContact SG-SG 2.04Å; C485-C497 PolarHBondContact SG-SG 3.5Å; C485-F499 HydrophobicContact CB-CE2 4.42Å; C485-F499 VanDerWaalsContact SG-CE2 3.57Å | |||
| 486 | P | 36.8 | Very low | 39.9 | Very low | 57 Ų | 57 | 108.9 Ų | 108.9 | 37% | 0.37 | 54% | 0.539 | S | S | . | . | trans | -69 | 163.3 | 174.1 | -18.7 | 32.5 | 0 | 0 | 0 | 113.1 | L484 N488 Y489 F499 | L484-P486 HydrophobicContact CD2-CG 4.44Å; P486-N488 PolarHBondContact O-N 2.95Å; P486-Y489 HydrophobicContact CB-CD2 4.06Å; P486-Y489 HydrophobicContact CB-CE2 4.04Å; P486-Y489 HydrophobicContact CG-CD2 4.16Å; P486-Y489 HydrophobicContact CG-CE2 3.91Å; P486-Y489 PolarHBondContact O-N 3.48Å; P486-F499 HydrophobicContact CG-CZ 4.44Å | ||
| 487 | K | 38.2 | Very low | 41.9 | Very low | 159 Ų | 159 | 103 Ų | 103 | 69% | 0.691 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 12 | -173.6 | -73.6 | -153.8 | 169.1 | -145.5 | 0 | 117.4 | ||
| 488 | N | 44.2 | Very low | 43.6 | Very low | 54 Ų | 54 | 95.8 Ų | 95.8 | 29% | 0.289 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | 17 | -176.5 | -46.4 | 5.2 | 0 | 0 | 0 | 112.5 | K448 S449 P486 | K448-N488 WeakPolarHBondContact CE-O 3.4Å; K448-N488 HydrophobicContact CG-CB 4.49Å; K448-N488 PolarHBondContact NZ-O 2.04Å; S449-N488 VanDerWaalsContact O-CG 3.3Å; S449-N488 PolarHBondContact O-ND2 3.31Å; P486-N488 PolarHBondContact O-N 2.95Å |
| 489 | Y | 50.2 | Low | 44.7 | Very low | 64 Ų | 64 | 91.8 Ų | 91.8 | 25% | 0.251 | 47% | 0.465 | S | S | . | . | trans | -121.2 | 123.8 | -175.5 | -67.7 | -103.7 | 0 | 0 | 0 | 108.3 | P486 F499 Y524 | P486-Y489 HydrophobicContact CB-CD2 4.06Å; P486-Y489 HydrophobicContact CB-CE2 4.04Å; P486-Y489 HydrophobicContact CG-CD2 4.16Å; P486-Y489 HydrophobicContact CG-CE2 3.91Å; P486-Y489 PolarHBondContact O-N 3.48Å; Y489-F499 HydrophobicContact CD1-CE1 4.03Å; Y489-F499 AromaticContact CD1-CZ 3.99Å; Y489-F499 HydrophobicContact CD1-CZ 3.99Å; Y489-F499 HydrophobicContact CD2-CZ 4.43Å; Y489-F499 AromaticContact CE1-CE1 3.44Å; Y489-F499 HydrophobicContact CE1-CE1 3.44Å; Y489-F499 VanDerWaalsContact CE1-CE1 3.44Å; Y489-F499 AromaticContact CE1-CZ 3.73Å; Y489-F499 HydrophobicContact CE1-CZ 3.73Å; Y489-F499 HydrophobicContact CE2-CZ 4.2Å; Y489-F499 HydrophobicContact CG-CZ 4.36Å; Y489-F499 AromaticContact CZ-CE1 3.75Å; Y489-F499 AromaticContact CZ-CZ 3.84Å; Y489-Y524 AromaticContact CD1-CD1 3.6Å; Y489-Y524 HydrophobicContact CD1-CD1 3.6Å; Y489-Y524 AromaticContact CD1-CD2 3.83Å; Y489-Y524 HydrophobicContact CD1-CD2 3.83Å; Y489-Y524 AromaticContact CD1-CE1 3.99Å; Y489-Y524 HydrophobicContact CD1-CE1 3.99Å; Y489-Y524 HydrophobicContact CD1-CE2 4.16Å; Y489-Y524 AromaticContact CD1-CG 3.51Å; Y489-Y524 HydrophobicContact CD1-CG 3.51Å; Y489-Y524 HydrophobicContact CE1-CD1 4.08Å; Y489-Y524 HydrophobicContact CE1-CG 4.21Å; Y489-Y524 HydrophobicContact CG-CD2 4.45Å | ||
| 490 | Y | 55.5 | Low | 45.6 | Very low | 118 Ų | 118 | 84.5 Ų | 84.5 | 46% | 0.463 | 44% | 0.437 | S | S | . | . | trans | -109.9 | 122.1 | -170.4 | 179.8 | -105.8 | 0 | 0 | 0 | 111.6 | A492 Y524 Y539 | Y490-A492 HydrophobicContact CE1-CB 4.09Å; Y490-Y524 PolarHBondContact N-OH 3.15Å; Y490-Y524 WeakPolarHBondContact O-CE2 3.07Å; Y490-Y524 PolarHBondContact O-OH 3.08Å; Y490-Y539 WeakPolarHBondContact O-CD1 3.34Å | ||
| 491 | C | 63.2 | Low | 46 | Very low | 25 Ų | 25 | 84.3 Ų | 84.3 | 17% | 0.169 | 44% | 0.436 | C | S | . | . | trans | -125.1 | 130.1 | 162.6 | -60.6 | 0 | 0 | 0 | 0 | 106.7 | A495 C497 C526 Y539 | C491-A495 HydrophobicContact CB-CB 4.15Å; C491-C497 VanDerWaalsContact SG-CB 3.55Å; C491-C526 WeakPolarHBondContact CA-SG 3.37Å; C491-C526 HydrophobicContact CB-CB 3.7Å; C491-C526 WeakPolarHBondContact CB-SG 3.03Å; C491-C526 WeakPolarHBondContact SG-CB 3.4Å; C491-C526 CovalentContact SG-SG 2.02Å; C491-C526 PolarHBondContact SG-SG 2.98Å; C491-Y539 CarbonylContact C-O 3.14Å; C491-Y539 WeakPolarHBondContact CA-O 3.39Å | ||
| 492 | A | 60.4 | Low | 46.1 | Very low | 8 Ų | 8 | 83 Ų | 83 | 7% | 0.066 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -77 | 173.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y490 S494 A495 Y539 D541 | Y490-A492 HydrophobicContact CE1-CB 4.09Å; A492-S494 PolarHBondContact O-N 2.88Å; A492-A495 WeakPolarHBondContact O-CB 3.48Å; A492-A495 PolarHBondContact O-N 3.44Å; A492-Y539 PolarHBondContact N-O 2.78Å; A492-D541 HydrophobicContact CB-CB 3.85Å |
| 493 | N | 56.5 | Low | 46.2 | Very low | 69 Ų | 69 | 84 Ų | 84 | 37% | 0.369 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 38.6 | 169 | -60.3 | -46.5 | 0 | 0 | 0 | 114.7 | A495 F535 C540 Y568 | N493-A495 PolarHBondContact O-N 3.45Å; N493-A495 VanDerWaalsContact O-N 3.14Å; N493-F535 HydrophobicContact CB-CD2 3.51Å; N493-F535 HydrophobicContact CB-CE2 3.89Å; N493-F535 HydrophobicContact CB-CG 3.96Å; N493-F535 VanDerWaalsContact ND2-CD1 3.29Å; N493-F535 WeakPolarHBondContact ND2-CD1 3.36Å; N493-F535 VanDerWaalsContact ND2-CG 3.35Å; N493-F535 WeakPolarHBondContact ND2-CG 3.47Å; N493-C540 PolarHBondContact ND2-O 3.3Å; N493-Y568 PolarHBondContact ND2-OH 3.25Å; N493-Y568 PolarHBondContact OD1-OH 3.04Å |
| 494 | S | 57.1 | Low | 46.1 | Very low | 131 Ų | 131 | 79.1 Ų | 79.1 | 92% | 0.916 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 17.2 | -178.8 | -55.7 | 0 | 0 | 0 | 0 | 116.3 | A492 | A492-S494 PolarHBondContact O-N 2.88Š|
| 495 | A | 62.5 | Low | 45.5 | Very low | 12 Ų | 12 | 78.8 Ų | 78.8 | 10% | 0.099 | 44% | 0.435 | C | S | . | . | trans | -64.5 | 146.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | C491 A492 N493 C497 C526 L527 C540 | C491-A495 HydrophobicContact CB-CB 4.15Å; A492-A495 WeakPolarHBondContact O-CB 3.48Å; A492-A495 PolarHBondContact O-N 3.44Å; N493-A495 PolarHBondContact O-N 3.45Å; N493-A495 VanDerWaalsContact O-N 3.14Å; A495-C497 PolarHBondContact O-N 2.94Å; A495-C526 HydrophobicContact CB-CB 4.26Å; A495-L527 WeakPolarHBondContact CB-O 3.3Å; A495-C540 HydrophobicContact CB-CB 3.43Å; A495-C540 VanDerWaalsContact CB-CB 3.43Å; A495-C540 WeakPolarHBondContact CB-SG 3.31Å | ||
| 496 | L | 65.2 | Low | 45.1 | Very low | 89 Ų | 89 | 82.2 Ų | 82.2 | 47% | 0.466 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 98.9 | -174.5 | 176.4 | 64.9 | 0 | 0 | 0 | 110.9 | I498 L527 | L496-I498 HydrophobicContact CD2-CG2 4.47Å; L496-I498 HydrophobicContact CG-CG2 4.19Å; L496-I498 PolarHBondContact O-N 3.07Å; L496-L527 HydrophobicContact CB-CB 4.11Å; L496-L527 HydrophobicContact CD2-CD1 4.28Å; L496-L527 PolarHBondContact N-O 3.04Å; L496-L527 PolarHBondContact O-N 2.8Å |
| 497 | C | 61.9 | Low | 44.3 | Very low | 26 Ų | 26 | 88.8 Ų | 88.8 | 18% | 0.176 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 114.7 | 171.3 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | C485 C491 A495 | C485-C497 HydrophobicContact CB-CB 3.81Å; C485-C497 WeakPolarHBondContact CB-SG 3.04Å; C485-C497 WeakPolarHBondContact SG-CB 3.47Å; C485-C497 PolarHBondContact SG-O 3.34Å; C485-C497 VanDerWaalsContact SG-O 3.4Å; C485-C497 CovalentContact SG-SG 2.04Å; C485-C497 PolarHBondContact SG-SG 3.5Å; C491-C497 VanDerWaalsContact SG-CB 3.55Å; A495-C497 PolarHBondContact O-N 2.94Å |
| 498 | I | 58.6 | Low | 43.5 | Very low | 56 Ų | 56 | 88.3 Ų | 88.3 | 29% | 0.287 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 146.8 | 172.4 | 56 | 160.3 | 0 | 0 | 0 | 111.5 | L496 T500 Y524 K525 L527 | L496-I498 HydrophobicContact CD2-CG2 4.47Å; L496-I498 HydrophobicContact CG-CG2 4.19Å; L496-I498 PolarHBondContact O-N 3.07Å; I498-T500 HydrophobicContact CD1-CG2 4.23Å; I498-Y524 CarbonylContact O-C 3.4Å; I498-Y524 VanDerWaalsContact O-CA 3.24Å; I498-Y524 WeakPolarHBondContact O-CA 3.24Å; I498-K525 HydrophobicContact CD1-CB 4.43Å; I498-K525 HydrophobicContact CG1-CB 4.15Å; I498-K525 WeakPolarHBondContact CG1-O 3.4Å; I498-K525 PolarHBondContact N-O 2.94Å; I498-K525 PolarHBondContact O-N 2.98Å; I498-L527 HydrophobicContact CD1-CD1 3.74Å; I498-L527 HydrophobicContact CD1-CD2 4.36Å; I498-L527 HydrophobicContact CD1-CG 3.78Å; I498-L527 HydrophobicContact CG1-CD1 4.16Å; I498-L527 HydrophobicContact CG1-CG 4.04Å; I498-L527 HydrophobicContact CG2-CD1 3.96Å |
| 499 | F | 43.4 | Very low | 42.5 | Very low | 70 Ų | 70 | 92.4 Ų | 92.4 | 31% | 0.307 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 119.3 | 167.5 | -73.3 | -84.6 | 0 | 0 | 0 | 109.7 | C485 P486 Y489 N501 | C485-F499 HydrophobicContact CB-CE2 4.42Å; C485-F499 VanDerWaalsContact SG-CE2 3.57Å; P486-F499 HydrophobicContact CG-CZ 4.44Å; Y489-F499 HydrophobicContact CD1-CE1 4.03Å; Y489-F499 AromaticContact CD1-CZ 3.99Å; Y489-F499 HydrophobicContact CD1-CZ 3.99Å; Y489-F499 HydrophobicContact CD2-CZ 4.43Å; Y489-F499 AromaticContact CE1-CE1 3.44Å; Y489-F499 HydrophobicContact CE1-CE1 3.44Å; Y489-F499 VanDerWaalsContact CE1-CE1 3.44Å; Y489-F499 AromaticContact CE1-CZ 3.73Å; Y489-F499 HydrophobicContact CE1-CZ 3.73Å; Y489-F499 HydrophobicContact CE2-CZ 4.2Å; Y489-F499 HydrophobicContact CG-CZ 4.36Å; Y489-F499 AromaticContact CZ-CE1 3.75Å; Y489-F499 AromaticContact CZ-CZ 3.84Å; F499-N501 PolarHBondContact O-N 3.37Å; F499-N501 VanDerWaalsContact O-N 3.16Å |
| 500 | T | 42.4 | Very low | 41.2 | Very low | 39 Ų | 39 | 95.3 Ų | 95.3 | 24% | 0.239 | 53% | 0.526 | C | S | . | . | trans | -85.4 | 86.5 | 175.7 | 40.4 | 0 | 0 | 0 | 0 | 109.8 | I498 E523 K525 | I498-T500 HydrophobicContact CD1-CG2 4.23Å; T500-E523 PolarHBondContact N-O 3.35Å; T500-E523 PolarHBondContact OG1-O 3.09Å; T500-K525 HydrophobicContact CG2-CB 3.97Å | ||
| 501 | N | 29.9 | Very low | 39.6 | Very low | 127 Ų | 127 | 95.9 Ų | 95.9 | 68% | 0.679 | 54% | 0.537 | S | S | * | . | trans | -90.1 | 125.4 | 149.1 | -65.3 | -26.1 | 0 | 0 | 0 | 106.6 | F499 | F499-N501 PolarHBondContact O-N 3.37Å; F499-N501 VanDerWaalsContact O-N 3.16Å | ||
| 502 | D | 25.7 | Very low | 37.6 | Very low | 144 Ų | 144 | 100.7 Ų | 100.7 | 77% | 0.77 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -69.1 | 163.2 | -171.1 | -62.4 | -51.3 | 0 | 0 | 0 | 114.8 | ||
| 503 | D | 27.7 | Very low | 35.9 | Very low | 119 Ų | 119 | 109.3 Ų | 109.3 | 64% | 0.636 | 60% | 0.601 | S | S | * | * | S | Bend | trans | 69.1 | 54.2 | 165.9 | -64.7 | -14 | 0 | 0 | 0 | 119.8 | ||
| 504 | T | 22.6 | Very low | 34.2 | Very low | 124 Ų | 124 | 112.3 Ų | 112.3 | 76% | 0.761 | 61% | 0.613 | S | S | * | * | trans | 58.3 | 121.1 | 131.2 | 60.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 505 | S | 21 | Very low | 32.5 | Very low | 113 Ų | 113 | 114.5 Ų | 114.5 | 79% | 0.79 | 61% | 0.607 | S | S | * | * | trans | 84.5 | 141.7 | 145.1 | 82.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 506 | S | 23.5 | Very low | 30.6 | Very low | 123 Ų | 123 | 120.1 Ų | 120.1 | 86% | 0.86 | 64% | 0.635 | S | S | * | * | trans | 101 | 152.9 | 168.9 | -52 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 507 | F | 20.8 | Very low | 28.5 | Very low | 195 Ų | 195 | 123 Ų | 123 | 86% | 0.855 | 65% | 0.651 | S | S | * | * | trans | -98.7 | 159.8 | -160.8 | -107.9 | -102.5 | 0 | 0 | 0 | 115 | ||||
| 508 | M | 22.2 | Very low | 26.7 | Very low | 149 Ų | 149 | 126.6 Ų | 126.6 | 73% | 0.734 | 68% | 0.677 | S | S | * | * | trans | 80.5 | 114.8 | 154.7 | -69.6 | -64.6 | -168.4 | 0 | 0 | 123 | ||||
| 509 | L | 23.4 | Very low | 25.2 | Very low | 139 Ų | 139 | 131.5 Ų | 131.5 | 73% | 0.728 | 70% | 0.703 | S | S | * | * | trans | 69.6 | 137.9 | 130.2 | -77.9 | 165.5 | 0 | 0 | 0 | 124.5 | ||||
| 510 | N | 22.5 | Very low | 24.5 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 67% | 0.668 | 73% | 0.725 | S | S | * | * | trans | 86.4 | 83 | 148.1 | -82.2 | -29.1 | 0 | 0 | 0 | 122.8 | ||||
| 511 | N | 21 | Very low | 24 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | 66.6 | 118.7 | 106.8 | -79.4 | -46.6 | 0 | 0 | 0 | 122.9 | |||||
| 512 | T | 21.7 | Very low | 24.1 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | trans | 92 | 126.6 | 136.8 | 60.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 513 | K | 23.8 | Very low | 24.8 | Very low | 189 Ų | 189 | 134.8 Ų | 134.8 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | trans | 76.1 | 144.7 | 162.3 | -67.7 | -164.8 | 173.8 | -156.9 | 0 | 118.3 | ||||
| 514 | Q | 21.8 | Very low | 25.8 | Very low | 132 Ų | 132 | 130.5 Ų | 130.5 | 62% | 0.617 | 71% | 0.708 | S | S | * | * | cis | -170 | 168 | -17.4 | -177 | 162.2 | -5.1 | 0 | 0 | 108.6 | ||||
| 515 | F | 20.9 | Very low | 27.4 | Very low | 178 Ų | 178 | 129.8 Ų | 129.8 | 78% | 0.781 | 69% | 0.694 | S | S | * | * | trans | 101.7 | 158.4 | 170.6 | -66.9 | -76.7 | 0 | 0 | 0 | 117.5 | ||||
| 516 | D | 22.8 | Very low | 29.6 | Very low | 129 Ų | 129 | 124.7 Ų | 124.7 | 69% | 0.69 | 66% | 0.658 | S | S | * | * | trans | -99.9 | -178 | -149.9 | -49.1 | -89.9 | 0 | 0 | 0 | 114.8 | ||||
| 517 | N | 22.3 | Very low | 31.5 | Very low | 151 Ų | 151 | 122.5 Ų | 122.5 | 81% | 0.807 | 64% | 0.636 | S | S | * | * | trans | 88.2 | 129.4 | 164.7 | -57.3 | -36.7 | 0 | 0 | 0 | 119.7 | ||||
| 518 | S | 22.6 | Very low | 33.8 | Very low | 101 Ų | 101 | 115 Ų | 115 | 71% | 0.706 | 61% | 0.608 | S | S | * | * | trans | 67.4 | 139 | 150.1 | 64.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 519 | N | 27.9 | Very low | 35.3 | Very low | 159 Ų | 159 | 114.7 Ų | 114.7 | 85% | 0.85 | 60% | 0.604 | S | S | * | * | trans | 45.6 | 79.6 | 142.3 | -57.6 | 2.7 | 0 | 0 | 0 | 119.2 | ||||
| 520 | V | 28.5 | Very low | 36.5 | Very low | 125 Ų | 125 | 114.9 Ų | 114.9 | 76% | 0.758 | 61% | 0.612 | S | S | * | * | trans | -138 | 125.3 | 143.5 | -179.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 521 | T | 32.6 | Very low | 37.3 | Very low | 129 Ų | 129 | 112.6 Ų | 112.6 | 79% | 0.791 | 61% | 0.61 | S | S | * | * | trans | -69.7 | 125.5 | 166.7 | 42.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 522 | S | 32 | Very low | 38.2 | Very low | 64 Ų | 64 | 112 Ų | 112 | 45% | 0.448 | 61% | 0.606 | S | S | . | * | trans | -114.4 | 92.4 | 167.8 | 30.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 523 | E | 38.8 | Very low | 39.2 | Very low | 130 Ų | 130 | 107.7 Ų | 107.7 | 61% | 0.607 | 59% | 0.587 | S | S | * | * | trans | -60.7 | 146 | 163.2 | -69 | -173.5 | 158 | 0 | 0 | 109.1 | T500 | T500-E523 PolarHBondContact N-O 3.35Å; T500-E523 PolarHBondContact OG1-O 3.09Å | ||
| 524 | Y | 49.6 | Very low | 40.7 | Very low | 30 Ų | 30 | 104.2 Ų | 104.2 | 12% | 0.118 | 57% | 0.568 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.4 | 135.3 | 168 | 77.8 | -71 | 0 | 0 | 0 | 106.9 | Y489 Y490 I498 Y539 | Y489-Y524 AromaticContact CD1-CD1 3.6Å; Y489-Y524 HydrophobicContact CD1-CD1 3.6Å; Y489-Y524 AromaticContact CD1-CD2 3.83Å; Y489-Y524 HydrophobicContact CD1-CD2 3.83Å; Y489-Y524 AromaticContact CD1-CE1 3.99Å; Y489-Y524 HydrophobicContact CD1-CE1 3.99Å; Y489-Y524 HydrophobicContact CD1-CE2 4.16Å; Y489-Y524 AromaticContact CD1-CG 3.51Å; Y489-Y524 HydrophobicContact CD1-CG 3.51Å; Y489-Y524 HydrophobicContact CE1-CD1 4.08Å; Y489-Y524 HydrophobicContact CE1-CG 4.21Å; Y489-Y524 HydrophobicContact CG-CD2 4.45Å; Y490-Y524 PolarHBondContact N-OH 3.15Å; Y490-Y524 WeakPolarHBondContact O-CE2 3.07Å; Y490-Y524 PolarHBondContact O-OH 3.08Å; I498-Y524 CarbonylContact O-C 3.4Å; I498-Y524 VanDerWaalsContact O-CA 3.24Å; I498-Y524 WeakPolarHBondContact O-CA 3.24Å; Y524-Y539 AromaticContact CE1-CE1 3.9Å; Y524-Y539 HydrophobicContact CE1-CE1 3.9Å; Y524-Y539 HydrophobicContact CE2-CD1 4.29Å; Y524-Y539 HydrophobicContact CE2-CE1 4.27Å; Y524-Y539 AromaticContact CZ-CD1 3.99Å; Y524-Y539 AromaticContact CZ-CE1 3.6Å; Y524-Y539 WeakPolarHBondContact OH-CE1 3.25Å |
| 525 | K | 55.4 | Low | 42.6 | Very low | 109 Ų | 109 | 99.7 Ų | 99.7 | 47% | 0.474 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 135.4 | 179.9 | -172.8 | 166 | -174.9 | 167.1 | 0 | 108.1 | I498 T500 | I498-K525 HydrophobicContact CD1-CB 4.43Å; I498-K525 HydrophobicContact CG1-CB 4.15Å; I498-K525 WeakPolarHBondContact CG1-O 3.4Å; I498-K525 PolarHBondContact N-O 2.94Å; I498-K525 PolarHBondContact O-N 2.98Å; T500-K525 HydrophobicContact CG2-CB 3.97Å |
| 526 | C | 68.2 | Low | 44.5 | Very low | 5 Ų | 5 | 95.4 Ų | 95.4 | 3% | 0.034 | 53% | 0.529 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 121.9 | 171.3 | -57.8 | 0 | 0 | 0 | 0 | 108.3 | C491 A495 N538 C540 | C491-C526 WeakPolarHBondContact CA-SG 3.37Å; C491-C526 HydrophobicContact CB-CB 3.7Å; C491-C526 WeakPolarHBondContact CB-SG 3.03Å; C491-C526 WeakPolarHBondContact SG-CB 3.4Å; C491-C526 CovalentContact SG-SG 2.02Å; C491-C526 PolarHBondContact SG-SG 2.98Å; A495-C526 HydrophobicContact CB-CB 4.26Å; C526-N538 WeakPolarHBondContact CB-O 3.43Å; C526-N538 PolarHBondContact N-O 2.99Å; C526-N538 PolarHBondContact SG-O 3.14Å; C526-C540 HydrophobicContact CB-CB 4.39Å; C526-C540 WeakPolarHBondContact CB-SG 3.22Å |
| 527 | L | 63.9 | Low | 46.2 | Very low | 77 Ų | 77 | 90.6 Ų | 90.6 | 40% | 0.403 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 102.9 | 168.7 | -76.3 | 175.1 | 0 | 0 | 0 | 108.5 | A495 L496 I498 E529 | A495-L527 WeakPolarHBondContact CB-O 3.3Å; L496-L527 HydrophobicContact CB-CB 4.11Å; L496-L527 HydrophobicContact CD2-CD1 4.28Å; L496-L527 PolarHBondContact N-O 3.04Å; L496-L527 PolarHBondContact O-N 2.8Å; I498-L527 HydrophobicContact CD1-CD1 3.74Å; I498-L527 HydrophobicContact CD1-CD2 4.36Å; I498-L527 HydrophobicContact CD1-CG 3.78Å; I498-L527 HydrophobicContact CG1-CD1 4.16Å; I498-L527 HydrophobicContact CG1-CG 4.04Å; I498-L527 HydrophobicContact CG2-CD1 3.96Å; L527-E529 PolarHBondContact O-N 3.03Å |
| 528 | C | 68.8 | Low | 47.9 | Very low | 39 Ų | 39 | 89 Ų | 89 | 26% | 0.264 | 50% | 0.502 | S | S | . | . | trans | -71.4 | 110.1 | 175.7 | -32.4 | 0 | 0 | 0 | 0 | 108.3 | T530 F535 C540 | C528-T530 PolarHBondContact O-N 2.92Å; C528-F535 WeakPolarHBondContact CB-O 3.49Å; C528-F535 PolarHBondContact SG-O 3.45Å; C528-F535 VanDerWaalsContact SG-O 3.38Å; C528-C540 WeakPolarHBondContact CA-SG 3.49Å; C528-C540 HydrophobicContact CB-CB 3.83Å; C528-C540 WeakPolarHBondContact CB-SG 3.31Å; C528-C540 PolarHBondContact N-SG 2.98Å; C528-C540 VanDerWaalsContact SG-CA 3.58Å; C528-C540 WeakPolarHBondContact SG-CB 3.47Å; C528-C540 CovalentContact SG-SG 2.03Å; C528-C540 PolarHBondContact SG-SG 3.35Å | ||
| 529 | E | 53.9 | Low | 50 | Low | 141 Ų | 141 | 85.9 Ų | 85.9 | 66% | 0.659 | 48% | 0.475 | S | S | * | . | trans | -76 | 122.8 | -178.6 | -76.2 | -161 | 141.5 | 0 | 0 | 111 | L527 A531 | L527-E529 PolarHBondContact O-N 3.03Å; E529-A531 PolarHBondContact O-N 3.01Å | ||
| 530 | T | 47.5 | Very low | 52 | Low | 144 Ų | 144 | 78.4 Ų | 78.4 | 88% | 0.883 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | 23.1 | -174.2 | 60 | 0 | 0 | 0 | 0 | 114.2 | C528 | C528-T530 PolarHBondContact O-N 2.92Š|
| 531 | A | 39.4 | Very low | 53.8 | Low | 77 Ų | 77 | 76.1 Ų | 76.1 | 64% | 0.636 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -27.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | E529 | E529-A531 PolarHBondContact O-N 3.01Š|
| 532 | I | 40.1 | Very low | 55.2 | Low | 117 Ų | 117 | 74.4 Ų | 74.4 | 60% | 0.6 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -140.6 | 100.6 | 176.2 | -45.3 | -176 | 0 | 0 | 0 | 109 | L467 | L467-I532 HydrophobicContact CD1-CD1 4.33Å; L467-I532 HydrophobicContact CD1-CG1 4.06Å; L467-I532 HydrophobicContact CD1-CG2 4.45Å; L467-I532 HydrophobicContact CD2-CD1 4.23Å |
| 533 | G | 42.6 | Very low | 56.7 | Low | 36 Ų | 36 | 72.9 Ų | 72.9 | 37% | 0.371 | 39% | 0.39 | S | S | . | . | S | Bend | trans | 62.9 | 54.6 | 156.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | F535 | G533-F535 WeakPolarHBondContact O-CD2 3.45Å; G533-F535 WeakPolarHBondContact O-CE2 3.35Å |
| 534 | R | 56.1 | Low | 57.9 | Low | 115 Ų | 115 | 67.8 Ų | 67.8 | 43% | 0.434 | 37% | 0.368 | S | S | . | . | trans | 50.5 | 81.6 | 141.6 | -77.7 | 173.6 | 165.1 | 162.3 | -29.3 | 118.1 | V544 E546 | R534-V544 VanDerWaalsContact C-CG2 3.47Å; R534-V544 HydrophobicContact CB-CB 3.98Å; R534-V544 HydrophobicContact CB-CG2 3.95Å; R534-V544 HydrophobicContact CG-CB 4.49Å; R534-V544 HydrophobicContact CG-CG2 4.5Å; R534-V544 PolarHBondContact O-N 3.06Å; R534-V544 VanDerWaalsContact O-N 3.12Å; R534-E546 WeakPolarHBondContact CD-OE1 3.32Å; R534-E546 IonicContact CZ-OE1 2.72Å; R534-E546 IonicContact CZ-OE2 2.96Å; R534-E546 IonicContact NE-OE1 2.9Å; R534-E546 PolarHBondContact NE-OE1 3.04Å; R534-E546 IonicContact NE-OE2 3.23Å; R534-E546 IonicContact NH1-OE1 2.83Å; R534-E546 PolarHBondContact NH1-OE1 3.39Å; R534-E546 IonicContact NH1-OE2 3.66Å; R534-E546 PolarHBondContact NH1-OE2 3.43Å; R534-E546 IonicContact NH2-OE1 3.88Å; R534-E546 IonicContact NH2-OE2 3.15Å; R534-E546 PolarHBondContact NH2-OE2 3.37Å | ||
| 535 | F | 61.1 | Low | 58.5 | Low | 38 Ų | 38 | 69 Ų | 69 | 17% | 0.167 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 147.8 | 162.6 | -61.6 | -74.4 | 0 | 0 | 0 | 112.2 | N493 C528 G533 C540 I542 D543 Y568 | N493-F535 HydrophobicContact CB-CD2 3.51Å; N493-F535 HydrophobicContact CB-CE2 3.89Å; N493-F535 HydrophobicContact CB-CG 3.96Å; N493-F535 VanDerWaalsContact ND2-CD1 3.29Å; N493-F535 WeakPolarHBondContact ND2-CD1 3.36Å; N493-F535 VanDerWaalsContact ND2-CG 3.35Å; N493-F535 WeakPolarHBondContact ND2-CG 3.47Å; C528-F535 WeakPolarHBondContact CB-O 3.49Å; C528-F535 PolarHBondContact SG-O 3.45Å; C528-F535 VanDerWaalsContact SG-O 3.38Å; G533-F535 WeakPolarHBondContact O-CD2 3.45Å; G533-F535 WeakPolarHBondContact O-CE2 3.35Å; F535-C540 HydrophobicContact CB-CB 4.43Å; F535-C540 WeakPolarHBondContact CB-O 3.4Å; F535-I542 CarbonylContact C-O 3.32Å; F535-I542 VanDerWaalsContact CA-O 3.31Å; F535-I542 WeakPolarHBondContact CA-O 3.46Å; F535-D543 HydrophobicContact CE1-CB 4.4Å; F535-Y568 HydrophobicContact CE1-CD1 4.21Å; F535-Y568 HydrophobicContact CE1-CD2 4.16Å; F535-Y568 AromaticContact CE1-CE1 3.68Å; F535-Y568 HydrophobicContact CE1-CE1 3.68Å; F535-Y568 AromaticContact CE1-CE2 3.62Å; F535-Y568 HydrophobicContact CE1-CE2 3.62Å; F535-Y568 HydrophobicContact CE1-CG 4.43Å; F535-Y568 AromaticContact CE1-CZ 3.34Å; F535-Y568 HydrophobicContact CZ-CD1 4Å; F535-Y568 AromaticContact CZ-CE1 3.41Å; F535-Y568 HydrophobicContact CZ-CE1 3.41Å; F535-Y568 VanDerWaalsContact CZ-CE1 3.41Å; F535-Y568 HydrophobicContact CZ-CE2 4.25Å; F535-Y568 AromaticContact CZ-CZ 3.55Å |
| 536 | E | 60.6 | Low | 58.8 | Low | 88 Ų | 88 | 64.3 Ų | 64.3 | 41% | 0.411 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | -166.8 | 176.4 | 67.1 | 179.9 | 148.5 | 0 | 0 | 111.8 | C540 D541 I542 V544 N545 | E536-C540 CarbonylContact O-C 3.35Å; E536-C540 WeakPolarHBondContact O-CA 3.25Å; E536-D541 PolarHBondContact O-N 3.21Å; E536-I542 HydrophobicContact CG-CB 4.05Å; E536-I542 HydrophobicContact CG-CG2 3.98Å; E536-I542 PolarHBondContact N-O 3.18Å; E536-I542 WeakPolarHBondContact O-CB 3.35Å; E536-I542 PolarHBondContact O-N 3.18Å; E536-I542 VanDerWaalsContact O-N 3.14Å; E536-V544 HydrophobicContact CB-CG2 3.91Å; E536-V544 HydrophobicContact CG-CG2 4.07Å; E536-V544 WeakPolarHBondContact OE1-CA 3.36Å; E536-N545 PolarHBondContact OE1-N 3.35Å |
| 537 | G | 59.3 | Low | 58.9 | Low | 28 Ų | 28 | 66 Ų | 66 | 29% | 0.289 | 37% | 0.367 | S | S | . | . | S | Bend | trans | 82.1 | 163.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y539 C540 | G537-Y539 PolarHBondContact O-N 3.48Å; G537-Y539 VanDerWaalsContact O-N 3.17Å; G537-C540 PolarHBondContact O-N 2.9Å; G537-C540 VanDerWaalsContact O-N 3.17Å |
| 538 | N | 58 | Low | 58.4 | Low | 118 Ų | 118 | 68.3 Ų | 68.3 | 63% | 0.631 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -21.1 | -173 | -73.4 | -31 | 0 | 0 | 0 | 113.7 | C526 | C526-N538 WeakPolarHBondContact CB-O 3.43Å; C526-N538 PolarHBondContact N-O 2.99Å; C526-N538 PolarHBondContact SG-O 3.14Å |
| 539 | Y | 66.1 | Low | 57.2 | Low | 35 Ų | 35 | 74.9 Ų | 74.9 | 14% | 0.137 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | 9.7 | 176.1 | -50.1 | -56.2 | 0 | 0 | 0 | 114.1 | Y422 Y490 C491 A492 Y524 G537 D541 | Y422-Y539 WeakPolarHBondContact CD1-OH 3.46Å; Y422-Y539 WeakPolarHBondContact CE1-OH 3.4Å; Y490-Y539 WeakPolarHBondContact O-CD1 3.34Å; C491-Y539 CarbonylContact C-O 3.14Å; C491-Y539 WeakPolarHBondContact CA-O 3.39Å; A492-Y539 PolarHBondContact N-O 2.78Å; Y524-Y539 AromaticContact CE1-CE1 3.9Å; Y524-Y539 HydrophobicContact CE1-CE1 3.9Å; Y524-Y539 HydrophobicContact CE2-CD1 4.29Å; Y524-Y539 HydrophobicContact CE2-CE1 4.27Å; Y524-Y539 AromaticContact CZ-CD1 3.99Å; Y524-Y539 AromaticContact CZ-CE1 3.6Å; Y524-Y539 WeakPolarHBondContact OH-CE1 3.25Å; G537-Y539 PolarHBondContact O-N 3.48Å; G537-Y539 VanDerWaalsContact O-N 3.17Å; Y539-D541 WeakPolarHBondContact CB-OD1 3.43Å; Y539-D541 PolarHBondContact N-OD1 2.87Å; Y539-D541 PolarHBondContact O-N 3.06Å |
| 540 | C | 70.1 | Confident | 56 | Low | 1 Ų | 1 | 73.1 Ų | 73.1 | 1% | 0.007 | 41% | 0.41 | C | S | . | . | S | Bend | trans | 57.3 | 31 | -176.1 | -54.5 | 0 | 0 | 0 | 0 | 113.9 | N493 A495 C526 C528 F535 E536 G537 | N493-C540 PolarHBondContact ND2-O 3.3Å; A495-C540 HydrophobicContact CB-CB 3.43Å; A495-C540 VanDerWaalsContact CB-CB 3.43Å; A495-C540 WeakPolarHBondContact CB-SG 3.31Å; C526-C540 HydrophobicContact CB-CB 4.39Å; C526-C540 WeakPolarHBondContact CB-SG 3.22Å; C528-C540 WeakPolarHBondContact CA-SG 3.49Å; C528-C540 HydrophobicContact CB-CB 3.83Å; C528-C540 WeakPolarHBondContact CB-SG 3.31Å; C528-C540 PolarHBondContact N-SG 2.98Å; C528-C540 VanDerWaalsContact SG-CA 3.58Å; C528-C540 WeakPolarHBondContact SG-CB 3.47Å; C528-C540 CovalentContact SG-SG 2.03Å; C528-C540 PolarHBondContact SG-SG 3.35Å; F535-C540 HydrophobicContact CB-CB 4.43Å; F535-C540 WeakPolarHBondContact CB-O 3.4Å; E536-C540 CarbonylContact O-C 3.35Å; E536-C540 WeakPolarHBondContact O-CA 3.25Å; G537-C540 PolarHBondContact O-N 2.9Å; G537-C540 VanDerWaalsContact O-N 3.17Å |
| 541 | D | 65.6 | Low | 55.1 | Low | 77 Ų | 77 | 75.1 Ų | 75.1 | 41% | 0.412 | 41% | 0.409 | S | S | . | . | trans | -103.8 | -9.4 | -176.5 | 53.4 | -24.6 | 0 | 0 | 0 | 113.1 | A492 E536 Y539 | A492-D541 HydrophobicContact CB-CB 3.85Å; E536-D541 PolarHBondContact O-N 3.21Å; Y539-D541 WeakPolarHBondContact CB-OD1 3.43Å; Y539-D541 PolarHBondContact N-OD1 2.87Å; Y539-D541 PolarHBondContact O-N 3.06Å | ||
| 542 | I | 62.9 | Low | 54.7 | Low | 93 Ų | 93 | 76.6 Ų | 76.6 | 48% | 0.477 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 129.3 | 172.5 | -52.9 | -179.8 | 0 | 0 | 0 | 108.2 | F535 E536 | F535-I542 CarbonylContact C-O 3.32Å; F535-I542 VanDerWaalsContact CA-O 3.31Å; F535-I542 WeakPolarHBondContact CA-O 3.46Å; E536-I542 HydrophobicContact CG-CB 4.05Å; E536-I542 HydrophobicContact CG-CG2 3.98Å; E536-I542 PolarHBondContact N-O 3.18Å; E536-I542 WeakPolarHBondContact O-CB 3.35Å; E536-I542 PolarHBondContact O-N 3.18Å; E536-I542 VanDerWaalsContact O-N 3.14Å |
| 543 | D | 62.4 | Low | 54.3 | Low | 33 Ų | 33 | 77.4 Ų | 77.4 | 18% | 0.176 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 127.1 | 167.6 | 175.7 | 43.1 | 0 | 0 | 0 | 109.6 | F535 N545 N566 T567 Y568 G569 | F535-D543 HydrophobicContact CE1-CB 4.4Å; D543-N545 PolarHBondContact O-N 3.31Å; D543-N545 VanDerWaalsContact O-N 3.12Å; D543-N566 PolarHBondContact OD2-ND2 3.2Å; D543-T567 VanDerWaalsContact OD2-C 3.26Å; D543-Y568 HydrophobicContact CB-CD2 4.18Å; D543-Y568 WeakPolarHBondContact OD2-CA 3.42Å; D543-Y568 PolarHBondContact OD2-N 3.21Å; D543-G569 PolarHBondContact OD1-N 3.37Å |
| 544 | V | 63.3 | Low | 53.7 | Low | 23 Ų | 23 | 82.5 Ų | 82.5 | 14% | 0.139 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 122.2 | -177.6 | 174.9 | 0 | 0 | 0 | 0 | 108.7 | R534 E536 E546 N566 | R534-V544 VanDerWaalsContact C-CG2 3.47Å; R534-V544 HydrophobicContact CB-CB 3.98Å; R534-V544 HydrophobicContact CB-CG2 3.95Å; R534-V544 HydrophobicContact CG-CB 4.49Å; R534-V544 HydrophobicContact CG-CG2 4.5Å; R534-V544 PolarHBondContact O-N 3.06Å; R534-V544 VanDerWaalsContact O-N 3.12Å; E536-V544 HydrophobicContact CB-CG2 3.91Å; E536-V544 HydrophobicContact CG-CG2 4.07Å; E536-V544 WeakPolarHBondContact OE1-CA 3.36Å; V544-E546 VanDerWaalsContact C-N 3.3Å; V544-E546 WeakPolarHBondContact O-CG 3.28Å; V544-E546 PolarHBondContact O-N 2.98Å; V544-N566 PolarHBondContact O-ND2 3.35Å; V544-N566 PolarHBondContact O-OD1 3.22Å |
| 545 | N | 62.9 | Low | 52.8 | Low | 55 Ų | 55 | 81.6 Ų | 81.6 | 29% | 0.294 | 43% | 0.427 | S | S | . | . | trans | -77.9 | 87.9 | 174.2 | -163.5 | -30.9 | 0 | 0 | 0 | 110.1 | E536 D543 C547 L548 | E536-N545 PolarHBondContact OE1-N 3.35Å; D543-N545 PolarHBondContact O-N 3.31Å; D543-N545 VanDerWaalsContact O-N 3.12Å; N545-C547 PolarHBondContact O-N 3.23Å; N545-C547 VanDerWaalsContact O-N 3.09Å; N545-C547 VanDerWaalsContact OD1-CB 3.26Å; N545-C547 WeakPolarHBondContact OD1-CB 3.29Å; N545-C547 PolarHBondContact OD1-N 3.24Å; N545-C547 VanDerWaalsContact OD1-N 3.15Å; N545-L548 HydrophobicContact CB-CB 4.11Å; N545-L548 HydrophobicContact CB-CD1 4.02Å; N545-L548 HydrophobicContact CB-CG 4.24Å; N545-L548 WeakPolarHBondContact ND2-CD1 3.4Å; N545-L548 PolarHBondContact O-N 2.77Å | ||
| 546 | E | 61.6 | Low | 52.3 | Low | 11 Ų | 11 | 83.5 Ų | 83.5 | 5% | 0.051 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -24.2 | 179.1 | -47.3 | -171.3 | -173.5 | 0 | 0 | 112.7 | R534 V544 L548 L557 N566 S570 Y571 | R534-E546 WeakPolarHBondContact CD-OE1 3.32Å; R534-E546 IonicContact CZ-OE1 2.72Å; R534-E546 IonicContact CZ-OE2 2.96Å; R534-E546 IonicContact NE-OE1 2.9Å; R534-E546 PolarHBondContact NE-OE1 3.04Å; R534-E546 IonicContact NE-OE2 3.23Å; R534-E546 IonicContact NH1-OE1 2.83Å; R534-E546 PolarHBondContact NH1-OE1 3.39Å; R534-E546 IonicContact NH1-OE2 3.66Å; R534-E546 PolarHBondContact NH1-OE2 3.43Å; R534-E546 IonicContact NH2-OE1 3.88Å; R534-E546 IonicContact NH2-OE2 3.15Å; R534-E546 PolarHBondContact NH2-OE2 3.37Å; V544-E546 VanDerWaalsContact C-N 3.3Å; V544-E546 WeakPolarHBondContact O-CG 3.28Å; V544-E546 PolarHBondContact O-N 2.98Å; E546-L548 VanDerWaalsContact C-N 3.29Å; E546-L557 HydrophobicContact CB-CD2 3.77Å; E546-L557 WeakPolarHBondContact O-CD2 3.43Å; E546-N566 WeakPolarHBondContact CB-OD1 3.44Å; E546-N566 WeakPolarHBondContact CG-OD1 3.39Å; E546-N566 PolarHBondContact N-OD1 2.87Å; E546-S570 WeakPolarHBondContact OE1-CA 3.48Å; E546-S570 PolarHBondContact OE1-N 3.12Å; E546-Y571 WeakPolarHBondContact OE2-CD1 3.35Å; E546-Y571 WeakPolarHBondContact OE2-CE1 3.49Å |
| 547 | C | 69.7 | Low | 52.6 | Low | 40 Ų | 40 | 81.9 Ų | 81.9 | 27% | 0.27 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -4.4 | 176.3 | -51.6 | 0 | 0 | 0 | 0 | 113.9 | N545 C564 | N545-C547 PolarHBondContact O-N 3.23Å; N545-C547 VanDerWaalsContact O-N 3.09Å; N545-C547 VanDerWaalsContact OD1-CB 3.26Å; N545-C547 WeakPolarHBondContact OD1-CB 3.29Å; N545-C547 PolarHBondContact OD1-N 3.24Å; N545-C547 VanDerWaalsContact OD1-N 3.15Å; C547-C564 VanDerWaalsContact CA-SG 3.53Å; C547-C564 HydrophobicContact CB-CB 3.54Å; C547-C564 WeakPolarHBondContact CB-SG 3.33Å; C547-C564 WeakPolarHBondContact SG-CB 3.37Å; C547-C564 CovalentContact SG-SG 2.03Å; C547-C564 PolarHBondContact SG-SG 3.08Å |
| 548 | L | 53.6 | Low | 53.2 | Low | 126 Ų | 126 | 81 Ų | 81 | 66% | 0.66 | 43% | 0.429 | S | S | * | . | trans | -120.6 | 7.2 | -172.3 | -74.6 | -178.4 | 0 | 0 | 0 | 115.9 | N545 E546 S550 | N545-L548 HydrophobicContact CB-CB 4.11Å; N545-L548 HydrophobicContact CB-CD1 4.02Å; N545-L548 HydrophobicContact CB-CG 4.24Å; N545-L548 WeakPolarHBondContact ND2-CD1 3.4Å; N545-L548 PolarHBondContact O-N 2.77Å; E546-L548 VanDerWaalsContact C-N 3.29Å; L548-S550 PolarHBondContact O-N 3.26Å | ||
| 549 | E | 44.6 | Very low | 54 | Low | 176 Ų | 176 | 78.9 Ų | 78.9 | 82% | 0.822 | 42% | 0.415 | S | S | * | . | trans | -62.3 | 105.3 | 171.3 | -78.4 | -165.9 | 163.5 | 0 | 0 | 111 | ||||
| 550 | S | 29.3 | Very low | 54.2 | Low | 105 Ų | 105 | 80.6 Ų | 80.6 | 73% | 0.734 | 43% | 0.426 | S | S | * | . | trans | -87.5 | 125.8 | -170.7 | 62.2 | 0 | 0 | 0 | 0 | 113.4 | L548 | L548-S550 PolarHBondContact O-N 3.26Š| ||
| 551 | E | 29 | Very low | 53.9 | Low | 186 Ų | 186 | 83.6 Ų | 83.6 | 87% | 0.869 | 46% | 0.457 | S | S | * | . | S | Bend | trans | 69.2 | 126.3 | 159.9 | -54.9 | -172.5 | 159.4 | 0 | 0 | 118.1 | ||
| 552 | E | 29.8 | Very low | 54.3 | Low | 108 Ų | 108 | 80.4 Ų | 80.4 | 51% | 0.505 | 44% | 0.443 | S | S | . | . | S | Bend | trans | 65.1 | 61.7 | 171.3 | -61.2 | -138.4 | 163.8 | 0 | 0 | 121.2 | ||
| 553 | K | 31.3 | Very low | 55.1 | Low | 134 Ų | 134 | 82.3 Ų | 82.3 | 58% | 0.583 | 45% | 0.45 | S | S | * | . | S | Bend | 166.7 | 129.2 | 104.2 | -88.6 | 169.5 | -174.8 | 81.3 | 0 | 116.3 | L2406 | K553-L2406 HydrophobicContact CB-CD2 4.43Å; K553-L2406 HydrophobicContact CG-CD1 4.26Å; K553-L2406 HydrophobicContact CG-CD2 3.78Å; K553-L2406 HydrophobicContact CG-CG 4.41Å | |
| 554 | Q | 30.2 | Very low | 56.1 | Low | 143 Ų | 143 | 82.3 Ų | 82.3 | 67% | 0.668 | 45% | 0.452 | S | S | * | . | S | Bend | trans | 76.1 | 121.1 | 159.5 | -63.3 | -171.6 | -4.2 | 0 | 0 | 120 | ||
| 555 | S | 38.5 | Very low | 56.7 | Low | 96 Ų | 96 | 84.8 Ų | 84.8 | 67% | 0.671 | 46% | 0.464 | S | S | * | . | trans | 61.9 | 114 | 163.8 | -158.1 | 0 | 0 | 0 | 0 | 117 | L557 | S555-L557 PolarHBondContact O-N 2.9Š| ||
| 556 | S | 50 | Low | 57.2 | Low | 77 Ų | 77 | 83.8 Ų | 83.8 | 54% | 0.538 | 46% | 0.458 | S | S | . | . | trans | -63.1 | 128.7 | 169.1 | 59.7 | 0 | 0 | 0 | 0 | 110.2 | C558 | S556-C558 WeakPolarHBondContact CB-O 3.47Å; S556-C558 PolarHBondContact O-N 3.07Å; S556-C558 PolarHBondContact OG-O 3.07Å | ||
| 557 | L | 67 | Low | 57.5 | Low | 55 Ų | 55 | 85.5 Ų | 85.5 | 29% | 0.288 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -54.5 | -36.1 | 177.8 | -101.7 | 66.3 | 0 | 0 | 0 | 111.7 | E546 S555 Y571 C573 H583 | E546-L557 HydrophobicContact CB-CD2 3.77Å; E546-L557 WeakPolarHBondContact O-CD2 3.43Å; S555-L557 PolarHBondContact O-N 2.9Å; L557-Y571 HydrophobicContact CB-CD2 4.03Å; L557-Y571 HydrophobicContact CB-CE2 3.51Å; L557-Y571 HydrophobicContact CD2-CD1 3.97Å; L557-Y571 HydrophobicContact CD2-CD2 3.89Å; L557-Y571 HydrophobicContact CD2-CE1 3.84Å; L557-Y571 HydrophobicContact CD2-CE2 3.8Å; L557-Y571 HydrophobicContact CD2-CG 3.93Å; L557-Y571 HydrophobicContact CG-CD2 4.26Å; L557-Y571 HydrophobicContact CG-CE1 4.17Å; L557-Y571 HydrophobicContact CG-CE2 3.69Å; L557-Y571 WeakPolarHBondContact O-CE2 3.49Å; L557-C573 PolarHBondContact O-SG 3.18Å; L557-H583 PolarHBondContact O-ND1 3.47Å |
| 558 | C | 71.6 | Confident | 56.7 | Low | 10 Ų | 10 | 91.2 Ų | 91.2 | 7% | 0.068 | 49% | 0.486 | C | S | . | . | S | Bend | trans | -111.8 | 128.2 | 169.5 | -52.4 | 0 | 0 | 0 | 0 | 109.4 | S556 G562 C564 C573 | S556-C558 WeakPolarHBondContact CB-O 3.47Å; S556-C558 PolarHBondContact O-N 3.07Å; S556-C558 PolarHBondContact OG-O 3.07Å; C558-G562 WeakPolarHBondContact CB-O 3.48Å; C558-C564 WeakPolarHBondContact SG-CA 3.1Å; C558-C564 VanDerWaalsContact SG-CB 3.52Å; C558-C573 WeakPolarHBondContact CA-SG 3.39Å; C558-C573 HydrophobicContact CB-CB 3.65Å; C558-C573 WeakPolarHBondContact CB-SG 3.4Å; C558-C573 WeakPolarHBondContact SG-CA 3.5Å; C558-C573 WeakPolarHBondContact SG-CB 3.27Å; C558-C573 CovalentContact SG-SG 2.03Å; C558-C573 PolarHBondContact SG-SG 2.87Å |
| 559 | Q | 75.3 | Confident | 56.7 | Low | 73 Ų | 73 | 86.3 Ų | 86.3 | 34% | 0.341 | 47% | 0.466 | S | S | . | . | trans | -92.7 | 171.9 | -177.6 | -56 | -178.2 | 20.1 | 0 | 0 | 110.6 | G561 G562 H583 C584 | Q559-G561 PolarHBondContact O-N 3.36Å; Q559-G562 PolarHBondContact O-N 3.24Å; Q559-H583 VanDerWaalsContact CB-O 3.31Å; Q559-H583 WeakPolarHBondContact CB-O 3.35Å; Q559-H583 WeakPolarHBondContact CG-O 3.28Å; Q559-H583 PolarHBondContact N-O 2.65Å; Q559-C584 WeakPolarHBondContact O-CB 3.48Å | ||
| 560 | N | 68.9 | Low | 57.7 | Low | 71 Ų | 71 | 80.3 Ų | 80.3 | 38% | 0.38 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 30.2 | 168.7 | -57.6 | -50.4 | 0 | 0 | 0 | 115.9 | G562 T576 Y579 C584 | N560-G562 VanDerWaalsContact C-N 3.35Å; N560-T576 PolarHBondContact O-OG1 2.73Å; N560-T576 VanDerWaalsContact O-OG1 3.13Å; N560-Y579 HydrophobicContact CB-CD1 3.31Å; N560-Y579 HydrophobicContact CB-CD2 3.99Å; N560-Y579 HydrophobicContact CB-CE1 3.36Å; N560-Y579 HydrophobicContact CB-CE2 4.05Å; N560-Y579 HydrophobicContact CB-CG 3.63Å; N560-Y579 VanDerWaalsContact CG-CD1 3.42Å; N560-Y579 WeakPolarHBondContact ND2-CD1 3.46Å; N560-Y579 WeakPolarHBondContact ND2-CE1 3.07Å; N560-C584 PolarHBondContact ND2-O 2.78Å |
| 561 | G | 63.7 | Low | 59.9 | Low | 63 Ų | 63 | 77.2 Ų | 77.2 | 65% | 0.649 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q559 | Q559-G561 PolarHBondContact O-N 3.36Š|
| 562 | G | 75.6 | Confident | 62.1 | Low | 11 Ų | 11 | 73.1 Ų | 73.1 | 11% | 0.113 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 134.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | C558 Q559 N560 S574 | C558-G562 WeakPolarHBondContact CB-O 3.48Å; Q559-G562 PolarHBondContact O-N 3.24Å; N560-G562 VanDerWaalsContact C-N 3.35Å; G562-S574 CarbonylContact C-O 3.37Å; G562-S574 WeakPolarHBondContact CA-O 3.24Å |
| 563 | Q | 79.6 | Confident | 64.6 | Low | 133 Ų | 133 | 68.6 Ų | 68.6 | 62% | 0.621 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 126.1 | 176.9 | 179.8 | 177.2 | -3.1 | 0 | 0 | 109.9 | S574 | Q563-S574 PolarHBondContact N-O 3.09Å; Q563-S574 PolarHBondContact O-N 2.83Å |
| 564 | C | 83.7 | Confident | 66.7 | Low | 33 Ų | 33 | 64.8 Ų | 64.8 | 22% | 0.223 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 129.8 | 174.4 | -171.4 | 0 | 0 | 0 | 0 | 110.2 | C547 C558 | C547-C564 VanDerWaalsContact CA-SG 3.53Å; C547-C564 HydrophobicContact CB-CB 3.54Å; C547-C564 WeakPolarHBondContact CB-SG 3.33Å; C547-C564 WeakPolarHBondContact SG-CB 3.37Å; C547-C564 CovalentContact SG-SG 2.03Å; C547-C564 PolarHBondContact SG-SG 3.08Å; C558-C564 WeakPolarHBondContact SG-CA 3.1Å; C558-C564 VanDerWaalsContact SG-CB 3.52Å |
| 565 | I | 75.3 | Confident | 69.2 | Low | 75 Ų | 75 | 59.8 Ų | 59.8 | 39% | 0.385 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 120.5 | 176.5 | -56.9 | 178.2 | 0 | 0 | 0 | 107.4 | Y571 I572 | I565-Y571 WeakPolarHBondContact O-CA 3.24Å; I565-I572 PolarHBondContact N-O 3.42Å; I565-I572 PolarHBondContact O-N 3Å |
| 566 | N | 73.8 | Confident | 70.7 | Confident | 34 Ų | 34 | 58.2 Ų | 58.2 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 151 | 177.5 | -140.7 | 76.3 | 0 | 0 | 0 | 111.8 | D543 V544 E546 | D543-N566 PolarHBondContact OD2-ND2 3.2Å; V544-N566 PolarHBondContact O-ND2 3.35Å; V544-N566 PolarHBondContact O-OD1 3.22Å; E546-N566 WeakPolarHBondContact CB-OD1 3.44Å; E546-N566 WeakPolarHBondContact CG-OD1 3.39Å; E546-N566 PolarHBondContact N-OD1 2.87Å |
| 567 | T | 66.9 | Low | 71.3 | Confident | 47 Ų | 47 | 57.2 Ų | 57.2 | 29% | 0.288 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 148.7 | -178 | 52.5 | 0 | 0 | 0 | 0 | 108.6 | D543 G569 S570 I572 | D543-T567 VanDerWaalsContact OD2-C 3.26Å; T567-G569 PolarHBondContact O-N 3.15Å; T567-S570 CarbonylContact C-O 3.53Å; T567-S570 PolarHBondContact N-O 3.41Å; T567-S570 CarbonylContact O-C 3.36Å; T567-S570 PolarHBondContact O-N 2.81Å; T567-S570 PolarHBondContact OG1-O 2.96Å; T567-I572 HydrophobicContact CG2-CD1 3.85Å; T567-I572 HydrophobicContact CG2-CG1 4.02Å |
| 568 | Y | 53.8 | Low | 71.2 | Confident | 159 Ų | 159 | 60.6 Ų | 60.6 | 62% | 0.624 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | 105.2 | -172.4 | -156.2 | -99.2 | 0 | 0 | 0 | 113.7 | N493 F535 D543 | N493-Y568 PolarHBondContact ND2-OH 3.25Å; N493-Y568 PolarHBondContact OD1-OH 3.04Å; F535-Y568 HydrophobicContact CE1-CD1 4.21Å; F535-Y568 HydrophobicContact CE1-CD2 4.16Å; F535-Y568 AromaticContact CE1-CE1 3.68Å; F535-Y568 HydrophobicContact CE1-CE1 3.68Å; F535-Y568 AromaticContact CE1-CE2 3.62Å; F535-Y568 HydrophobicContact CE1-CE2 3.62Å; F535-Y568 HydrophobicContact CE1-CG 4.43Å; F535-Y568 AromaticContact CE1-CZ 3.34Å; F535-Y568 HydrophobicContact CZ-CD1 4Å; F535-Y568 AromaticContact CZ-CE1 3.41Å; F535-Y568 HydrophobicContact CZ-CE1 3.41Å; F535-Y568 VanDerWaalsContact CZ-CE1 3.41Å; F535-Y568 HydrophobicContact CZ-CE2 4.25Å; F535-Y568 AromaticContact CZ-CZ 3.55Å; D543-Y568 HydrophobicContact CB-CD2 4.18Å; D543-Y568 WeakPolarHBondContact OD2-CA 3.42Å; D543-Y568 PolarHBondContact OD2-N 3.21Å |
| 569 | G | 54 | Low | 71.4 | Confident | 23 Ų | 23 | 62.9 Ų | 62.9 | 24% | 0.237 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 14 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | D543 T567 | D543-G569 PolarHBondContact OD1-N 3.37Å; T567-G569 PolarHBondContact O-N 3.15Å |
| 570 | S | 64.1 | Low | 71.3 | Confident | 51 Ų | 51 | 61.2 Ų | 61.2 | 36% | 0.357 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | -176.9 | -176.2 | -117.8 | 0 | 0 | 0 | 0 | 115.1 | E546 T567 | E546-S570 WeakPolarHBondContact OE1-CA 3.48Å; E546-S570 PolarHBondContact OE1-N 3.12Å; T567-S570 CarbonylContact C-O 3.53Å; T567-S570 PolarHBondContact N-O 3.41Å; T567-S570 CarbonylContact O-C 3.36Å; T567-S570 PolarHBondContact O-N 2.81Å; T567-S570 PolarHBondContact OG1-O 2.96Å |
| 571 | Y | 75.3 | Confident | 71.2 | Confident | 40 Ų | 40 | 59.1 Ų | 59.1 | 16% | 0.157 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 153.8 | 172.2 | 71.1 | -70.7 | 0 | 0 | 0 | 112 | E546 L557 I565 H583 | E546-Y571 WeakPolarHBondContact OE2-CD1 3.35Å; E546-Y571 WeakPolarHBondContact OE2-CE1 3.49Å; L557-Y571 HydrophobicContact CB-CD2 4.03Å; L557-Y571 HydrophobicContact CB-CE2 3.51Å; L557-Y571 HydrophobicContact CD2-CD1 3.97Å; L557-Y571 HydrophobicContact CD2-CD2 3.89Å; L557-Y571 HydrophobicContact CD2-CE1 3.84Å; L557-Y571 HydrophobicContact CD2-CE2 3.8Å; L557-Y571 HydrophobicContact CD2-CG 3.93Å; L557-Y571 HydrophobicContact CG-CD2 4.26Å; L557-Y571 HydrophobicContact CG-CE1 4.17Å; L557-Y571 HydrophobicContact CG-CE2 3.69Å; L557-Y571 WeakPolarHBondContact O-CE2 3.49Å; I565-Y571 WeakPolarHBondContact O-CA 3.24Å; Y571-H583 AromaticContact CE2-CE1 3.98Å; Y571-H583 AromaticContact CE2-ND1 3.66Å; Y571-H583 AromaticContact CZ-CE1 3.54Å; Y571-H583 AromaticContact CZ-ND1 3.6Å; Y571-H583 PolarHBondContact OH-CE1 2.86Å; Y571-H583 PolarHBondContact OH-ND1 3.08Å |
| 572 | I | 76.5 | Confident | 71.5 | Confident | 100 Ų | 100 | 62.9 Ų | 62.9 | 51% | 0.513 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 134.1 | 173.8 | -60.5 | -179.2 | 0 | 0 | 0 | 108.3 | I565 T567 | I565-I572 PolarHBondContact N-O 3.42Å; I565-I572 PolarHBondContact O-N 3Å; T567-I572 HydrophobicContact CG2-CD1 3.85Å; T567-I572 HydrophobicContact CG2-CG1 4.02Å |
| 573 | C | 81.3 | Confident | 71.6 | Confident | 13 Ų | 13 | 64.4 Ų | 64.4 | 9% | 0.088 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 112.9 | 174.4 | -64.8 | 0 | 0 | 0 | 0 | 110.9 | L557 C558 C575 K582 C584 | L557-C573 PolarHBondContact O-SG 3.18Å; C558-C573 WeakPolarHBondContact CA-SG 3.39Å; C558-C573 HydrophobicContact CB-CB 3.65Å; C558-C573 WeakPolarHBondContact CB-SG 3.4Å; C558-C573 WeakPolarHBondContact SG-CA 3.5Å; C558-C573 WeakPolarHBondContact SG-CB 3.27Å; C558-C573 CovalentContact SG-SG 2.03Å; C558-C573 PolarHBondContact SG-SG 2.87Å; C573-C575 PolarHBondContact O-N 2.98Å; C573-K582 WeakPolarHBondContact CB-O 3.33Å; C573-K582 PolarHBondContact SG-O 2.95Å; C573-C584 VanDerWaalsContact CB-SG 3.55Å |
| 574 | S | 76.9 | Confident | 71.6 | Confident | 54 Ų | 54 | 58.1 Ų | 58.1 | 38% | 0.378 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 106.1 | 171.3 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | G562 Q563 | G562-S574 CarbonylContact C-O 3.37Å; G562-S574 WeakPolarHBondContact CA-O 3.24Å; Q563-S574 PolarHBondContact N-O 3.09Å; Q563-S574 PolarHBondContact O-N 2.83Å |
| 575 | C | 81 | Confident | 71.3 | Confident | 38 Ų | 38 | 59.6 Ų | 59.6 | 26% | 0.257 | 31% | 0.312 | S | S | . | . | trans | -80.8 | 143.8 | -171.2 | -52.3 | 0 | 0 | 0 | 0 | 113 | C573 Y579 C584 | C573-C575 PolarHBondContact O-N 2.98Å; C575-Y579 WeakPolarHBondContact CB-O 3.46Å; C575-C584 WeakPolarHBondContact CA-SG 3.31Å; C575-C584 HydrophobicContact CB-CB 3.83Å; C575-C584 WeakPolarHBondContact CB-SG 3.43Å; C575-C584 WeakPolarHBondContact SG-CA 3.3Å; C575-C584 WeakPolarHBondContact SG-CB 3.15Å; C575-C584 CovalentContact SG-SG 2.04Å; C575-C584 PolarHBondContact SG-SG 3.02Å | ||
| 576 | T | 69.9 | Low | 70.9 | Confident | 62 Ų | 62 | 60.1 Ų | 60.1 | 38% | 0.38 | 31% | 0.313 | S | S | . | . | trans | -57 | 146.1 | 161.3 | 49 | 0 | 0 | 0 | 0 | 109.1 | N560 E578 Y579 | N560-T576 PolarHBondContact O-OG1 2.73Å; N560-T576 VanDerWaalsContact O-OG1 3.13Å; T576-E578 PolarHBondContact O-N 3.28Å; T576-Y579 PolarHBondContact O-N 2.93Å; T576-Y579 WeakPolarHBondContact OG1-CD2 3.47Å | ||
| 577 | T | 62.6 | Low | 70.2 | Confident | 56 Ų | 56 | 62 Ų | 62 | 34% | 0.344 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -27.6 | -159.8 | 71 | 0 | 0 | 0 | 0 | 114.1 | Y579 N589 S592 K2074 | T577-Y579 PolarHBondContact O-N 3.23Å; T577-N589 WeakPolarHBondContact O-CB 3.4Å; T577-N589 PolarHBondContact O-ND2 2.68Å; T577-S592 VanDerWaalsContact C-OG 3.31Å; T577-S592 VanDerWaalsContact CB-OG 3.23Å; T577-S592 WeakPolarHBondContact CB-OG 3.35Å; T577-S592 WeakPolarHBondContact O-CB 3.11Å; T577-S592 PolarHBondContact O-OG 3.32Å; T577-S592 PolarHBondContact OG1-OG 3.39Å; T577-K2074 HydrophobicContact CG2-CB 4.37Å; T577-K2074 HydrophobicContact CG2-CD 3.83Å |
| 578 | E | 64.8 | Low | 69.9 | Low | 127 Ų | 127 | 66.4 Ų | 66.4 | 59% | 0.593 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -12.6 | 174.4 | -66.7 | -178 | -168.4 | 0 | 0 | 115.1 | T576 F588 N589 | T576-E578 PolarHBondContact O-N 3.28Å; E578-F588 CarbonylContact O-C 3.51Å; E578-F588 VanDerWaalsContact O-CA 3.23Å; E578-F588 WeakPolarHBondContact O-CA 3.33Å; E578-F588 PolarHBondContact O-N 3.33Å; E578-N589 PolarHBondContact O-N 2.89Å |
| 579 | Y | 76.4 | Confident | 70.3 | Confident | 57 Ų | 57 | 60.2 Ų | 60.2 | 22% | 0.224 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 156.8 | -169.9 | -65.9 | -94.9 | 0 | 0 | 0 | 113.2 | N560 C575 T576 T577 H586 S587 | N560-Y579 HydrophobicContact CB-CD1 3.31Å; N560-Y579 HydrophobicContact CB-CD2 3.99Å; N560-Y579 HydrophobicContact CB-CE1 3.36Å; N560-Y579 HydrophobicContact CB-CE2 4.05Å; N560-Y579 HydrophobicContact CB-CG 3.63Å; N560-Y579 VanDerWaalsContact CG-CD1 3.42Å; N560-Y579 WeakPolarHBondContact ND2-CD1 3.46Å; N560-Y579 WeakPolarHBondContact ND2-CE1 3.07Å; C575-Y579 WeakPolarHBondContact CB-O 3.46Å; T576-Y579 PolarHBondContact O-N 2.93Å; T576-Y579 WeakPolarHBondContact OG1-CD2 3.47Å; T577-Y579 PolarHBondContact O-N 3.23Å; Y579-H586 CarbonylContact C-O 3.44Å; Y579-H586 VanDerWaalsContact CA-O 3.27Å; Y579-H586 WeakPolarHBondContact CA-O 3.33Å; Y579-H586 WeakPolarHBondContact CD1-O 3.29Å; Y579-S587 VanDerWaalsContact CD1-CA 3.49Å |
| 580 | Y | 72.8 | Confident | 70.5 | Confident | 38 Ų | 38 | 60.7 Ų | 60.7 | 15% | 0.149 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 178.2 | 178.3 | 74.1 | -75 | 0 | 0 | 0 | 111.7 | C584 E585 H586 F588 N589 P607 G611 | Y580-C584 CarbonylContact O-C 3.58Å; Y580-C584 VanDerWaalsContact O-C 3.3Å; Y580-C584 WeakPolarHBondContact O-CA 3.25Å; Y580-E585 PolarHBondContact O-N 2.86Å; Y580-H586 HydrophobicContact CD1-CB 3.65Å; Y580-H586 WeakPolarHBondContact CD1-O 3.09Å; Y580-H586 HydrophobicContact CD2-CB 4.2Å; Y580-H586 HydrophobicContact CE1-CB 3.29Å; Y580-H586 HydrophobicContact CE2-CB 3.86Å; Y580-H586 AromaticContact CE2-CD2 3.6Å; Y580-H586 AromaticContact CE2-CG 3.99Å; Y580-H586 HydrophobicContact CG-CB 4.1Å; Y580-H586 VanDerWaalsContact CZ-CB 3.4Å; Y580-H586 AromaticContact CZ-CD2 3.95Å; Y580-H586 AromaticContact CZ-CG 3.85Å; Y580-H586 PolarHBondContact N-O 3.27Å; Y580-H586 WeakPolarHBondContact O-CB 3.13Å; Y580-H586 PolarHBondContact O-N 3.2Å; Y580-F588 WeakPolarHBondContact CE1-O 3.41Å; Y580-N589 VanDerWaalsContact CD1-CA 3.49Å; Y580-N589 HydrophobicContact CD1-CB 4.22Å; Y580-P607 HydrophobicContact CD2-CB 4.45Å; Y580-G611 WeakPolarHBondContact OH-CA 3.37Å; Y580-G611 PolarHBondContact OH-O 3.14Å |
| 581 | G | 68.2 | Low | 70.6 | Confident | 28 Ų | 28 | 60.2 Ų | 60.2 | 29% | 0.289 | 32% | 0.317 | S | S | . | . | S | Bend | trans | 104.5 | 166.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | H583 C584 E585 | G581-H583 PolarHBondContact O-N 3.44Å; G581-C584 PolarHBondContact O-N 3.31Å; G581-C584 VanDerWaalsContact O-N 3.11Å; G581-E585 WeakPolarHBondContact CA-OE2 3.28Å |
| 582 | K | 69.1 | Low | 69.8 | Low | 141 Ų | 141 | 59.4 Ų | 59.4 | 61% | 0.613 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -28.4 | -173.7 | -175.5 | 177.5 | 176.5 | -179.2 | 0 | 112.6 | C573 E585 | C573-K582 WeakPolarHBondContact CB-O 3.33Å; C573-K582 PolarHBondContact SG-O 2.95Å; K582-E585 PolarHBondContact N-OE2 3.5Å |
| 583 | H | 77 | Confident | 68.6 | Low | 44 Ų | 44 | 61.3 Ų | 61.3 | 20% | 0.204 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | 18 | -179.9 | -54.6 | -68.1 | 0 | 0 | 0 | 111.3 | L557 Q559 Y571 G581 E585 | L557-H583 PolarHBondContact O-ND1 3.47Å; Q559-H583 VanDerWaalsContact CB-O 3.31Å; Q559-H583 WeakPolarHBondContact CB-O 3.35Å; Q559-H583 WeakPolarHBondContact CG-O 3.28Å; Q559-H583 PolarHBondContact N-O 2.65Å; Y571-H583 AromaticContact CE2-CE1 3.98Å; Y571-H583 AromaticContact CE2-ND1 3.66Å; Y571-H583 AromaticContact CZ-CE1 3.54Å; Y571-H583 AromaticContact CZ-ND1 3.6Å; Y571-H583 PolarHBondContact OH-CE1 2.86Å; Y571-H583 PolarHBondContact OH-ND1 3.08Å; G581-H583 PolarHBondContact O-N 3.44Å; H583-E585 WeakPolarHBondContact CA-OE2 3.09Å; H583-E585 IonicContact CD2-OE1 3.7Å; H583-E585 PolarHBondContact CD2-OE1 3.26Å; H583-E585 PolarHBondContact N-OE2 3.18Å; H583-E585 PolarHBondContact O-N 3.17Å |
| 584 | C | 81.6 | Confident | 66.6 | Low | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | S | Bend | trans | 52.9 | 29.3 | -170.2 | -52.5 | 0 | 0 | 0 | 0 | 113.6 | Q559 N560 C573 C575 Y580 G581 H586 | Q559-C584 WeakPolarHBondContact O-CB 3.48Å; N560-C584 PolarHBondContact ND2-O 2.78Å; C573-C584 VanDerWaalsContact CB-SG 3.55Å; C575-C584 WeakPolarHBondContact CA-SG 3.31Å; C575-C584 HydrophobicContact CB-CB 3.83Å; C575-C584 WeakPolarHBondContact CB-SG 3.43Å; C575-C584 WeakPolarHBondContact SG-CA 3.3Å; C575-C584 WeakPolarHBondContact SG-CB 3.15Å; C575-C584 CovalentContact SG-SG 2.04Å; C575-C584 PolarHBondContact SG-SG 3.02Å; Y580-C584 CarbonylContact O-C 3.58Å; Y580-C584 VanDerWaalsContact O-C 3.3Å; Y580-C584 WeakPolarHBondContact O-CA 3.25Å; G581-C584 PolarHBondContact O-N 3.31Å; G581-C584 VanDerWaalsContact O-N 3.11Å; C584-H586 VanDerWaalsContact C-N 3.31Å; C584-H586 PolarHBondContact O-N 3.28Å |
| 585 | E | 75.8 | Confident | 64.7 | Low | 64 Ų | 64 | 71.8 Ų | 71.8 | 30% | 0.299 | 37% | 0.373 | S | S | . | . | trans | -74.9 | -16.6 | -172.1 | 64.4 | -90.7 | -115.7 | 0 | 0 | 113.7 | Y580 G581 K582 H583 | Y580-E585 PolarHBondContact O-N 2.86Å; G581-E585 WeakPolarHBondContact CA-OE2 3.28Å; K582-E585 PolarHBondContact N-OE2 3.5Å; H583-E585 WeakPolarHBondContact CA-OE2 3.09Å; H583-E585 IonicContact CD2-OE1 3.7Å; H583-E585 PolarHBondContact CD2-OE1 3.26Å; H583-E585 PolarHBondContact N-OE2 3.18Å; H583-E585 PolarHBondContact O-N 3.17Å | ||
| 586 | H | 68.4 | Low | 63.1 | Low | 86 Ų | 86 | 77.2 Ų | 77.2 | 40% | 0.398 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 119.8 | -178.3 | -54.8 | -53.2 | 0 | 0 | 0 | 111.8 | Y579 Y580 C584 | Y579-H586 CarbonylContact C-O 3.44Å; Y579-H586 VanDerWaalsContact CA-O 3.27Å; Y579-H586 WeakPolarHBondContact CA-O 3.33Å; Y579-H586 WeakPolarHBondContact CD1-O 3.29Å; Y580-H586 HydrophobicContact CD1-CB 3.65Å; Y580-H586 WeakPolarHBondContact CD1-O 3.09Å; Y580-H586 HydrophobicContact CD2-CB 4.2Å; Y580-H586 HydrophobicContact CE1-CB 3.29Å; Y580-H586 HydrophobicContact CE2-CB 3.86Å; Y580-H586 AromaticContact CE2-CD2 3.6Å; Y580-H586 AromaticContact CE2-CG 3.99Å; Y580-H586 HydrophobicContact CG-CB 4.1Å; Y580-H586 VanDerWaalsContact CZ-CB 3.4Å; Y580-H586 AromaticContact CZ-CD2 3.95Å; Y580-H586 AromaticContact CZ-CG 3.85Å; Y580-H586 PolarHBondContact N-O 3.27Å; Y580-H586 WeakPolarHBondContact O-CB 3.13Å; Y580-H586 PolarHBondContact O-N 3.2Å; C584-H586 VanDerWaalsContact C-N 3.31Å; C584-H586 PolarHBondContact O-N 3.28Å |
| 587 | S | 57.7 | Low | 62.4 | Low | 73 Ų | 73 | 76.5 Ų | 76.5 | 51% | 0.51 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 145.5 | 167.1 | 56.8 | 0 | 0 | 0 | 0 | 111.6 | Y579 | Y579-S587 VanDerWaalsContact CD1-CA 3.49Å |
| 588 | F | 60.4 | Low | 62.7 | Low | 140 Ų | 140 | 76.4 Ų | 76.4 | 61% | 0.614 | 39% | 0.386 | S | S | * | . | trans | 71.1 | 72.9 | -170.5 | -68.9 | -83.9 | 0 | 0 | 0 | 114.5 | E578 Y580 P590 F593 | E578-F588 CarbonylContact O-C 3.51Å; E578-F588 VanDerWaalsContact O-CA 3.23Å; E578-F588 WeakPolarHBondContact O-CA 3.33Å; E578-F588 PolarHBondContact O-N 3.33Å; Y580-F588 WeakPolarHBondContact CE1-O 3.41Å; F588-P590 WeakPolarHBondContact O-CD 3.35Å; F588-F593 HydrophobicContact CD1-CE1 4.39Å; F588-F593 AromaticContact CD1-CE2 3.82Å; F588-F593 HydrophobicContact CD1-CE2 3.82Å; F588-F593 AromaticContact CD1-CZ 3.51Å; F588-F593 HydrophobicContact CD1-CZ 3.51Å; F588-F593 HydrophobicContact CE1-CE1 4.08Å; F588-F593 HydrophobicContact CE1-CE2 4.31Å; F588-F593 AromaticContact CE1-CZ 3.54Å; F588-F593 HydrophobicContact CE1-CZ 3.54Å | ||
| 589 | N | 62 | Low | 63.2 | Low | 29 Ų | 29 | 70.3 Ų | 70.3 | 16% | 0.155 | 36% | 0.358 | C | S | . | . | trans | -54.6 | 117.7 | 155.6 | 178 | -1.4 | 0 | 0 | 0 | 109.5 | T577 E578 Y580 C591 S592 | T577-N589 WeakPolarHBondContact O-CB 3.4Å; T577-N589 PolarHBondContact O-ND2 2.68Å; E578-N589 PolarHBondContact O-N 2.89Å; Y580-N589 VanDerWaalsContact CD1-CA 3.49Å; Y580-N589 HydrophobicContact CD1-CB 4.22Å; N589-C591 PolarHBondContact O-N 2.94Å; N589-C591 WeakPolarHBondContact OD1-CB 3.39Å; N589-C591 PolarHBondContact OD1-N 3.13Å; N589-S592 PolarHBondContact O-N 3.12Å; N589-S592 VanDerWaalsContact O-N 3.11Å | ||
| 590 | P | 58.8 | Low | 63 | Low | 33 Ų | 33 | 69 Ų | 69 | 21% | 0.214 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -19.1 | -176 | 28.9 | -36.3 | 0 | 0 | 0 | 112.9 | F588 S592 I598 P607 T614 | F588-P590 WeakPolarHBondContact O-CD 3.35Å; P590-S592 VanDerWaalsContact C-N 3.31Å; P590-S592 PolarHBondContact O-N 3.05Å; P590-I598 WeakPolarHBondContact O-CD1 3.35Å; P590-P607 HydrophobicContact CG-CB 4.11Å; P590-T614 HydrophobicContact CB-CG2 3.64Å; P590-T614 HydrophobicContact CG-CG2 3.67Å |
| 591 | C | 66.3 | Low | 62.8 | Low | 41 Ų | 41 | 68.4 Ų | 68.4 | 28% | 0.277 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 3.2 | 175.3 | -63.6 | 0 | 0 | 0 | 0 | 114.3 | N589 C605 | N589-C591 PolarHBondContact O-N 2.94Å; N589-C591 WeakPolarHBondContact OD1-CB 3.39Å; N589-C591 PolarHBondContact OD1-N 3.13Å; C591-C605 HydrophobicContact CB-CB 3.74Å; C591-C605 WeakPolarHBondContact CB-SG 3.49Å; C591-C605 WeakPolarHBondContact SG-CB 3.28Å; C591-C605 CovalentContact SG-SG 2.04Å; C591-C605 PolarHBondContact SG-SG 3.25Å |
| 592 | S | 58.9 | Low | 62.5 | Low | 23 Ų | 23 | 68.4 Ų | 68.4 | 16% | 0.161 | 35% | 0.353 | C | S | . | . | trans | -124.6 | 34.6 | -172.9 | -174.8 | 0 | 0 | 0 | 0 | 115.1 | T577 N589 P590 | T577-S592 VanDerWaalsContact C-OG 3.31Å; T577-S592 VanDerWaalsContact CB-OG 3.23Å; T577-S592 WeakPolarHBondContact CB-OG 3.35Å; T577-S592 WeakPolarHBondContact O-CB 3.11Å; T577-S592 PolarHBondContact O-OG 3.32Å; T577-S592 PolarHBondContact OG1-OG 3.39Å; N589-S592 PolarHBondContact O-N 3.12Å; N589-S592 VanDerWaalsContact O-N 3.11Å; P590-S592 VanDerWaalsContact C-N 3.31Å; P590-S592 PolarHBondContact O-N 3.05Å | ||
| 593 | F | 52.1 | Low | 62.9 | Low | 141 Ų | 141 | 61.7 Ų | 61.7 | 62% | 0.618 | 32% | 0.324 | S | S | * | . | trans | -81.5 | 135.9 | 160 | -84.9 | -84.7 | 0 | 0 | 0 | 110.2 | F588 | F588-F593 HydrophobicContact CD1-CE1 4.39Å; F588-F593 AromaticContact CD1-CE2 3.82Å; F588-F593 HydrophobicContact CD1-CE2 3.82Å; F588-F593 AromaticContact CD1-CZ 3.51Å; F588-F593 HydrophobicContact CD1-CZ 3.51Å; F588-F593 HydrophobicContact CE1-CE1 4.08Å; F588-F593 HydrophobicContact CE1-CE2 4.31Å; F588-F593 AromaticContact CE1-CZ 3.54Å; F588-F593 HydrophobicContact CE1-CZ 3.54Å | ||
| 594 | D | 38.9 | Very low | 62.8 | Low | 126 Ų | 126 | 64.8 Ų | 64.8 | 67% | 0.674 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 144.5 | -175.7 | -61.4 | -59.1 | 0 | 0 | 0 | 112.9 | K2074 | D594-K2074 IonicContact OD1-NZ 2.9Š|
| 595 | N | 35.9 | Very low | 62.7 | Low | 160 Ų | 160 | 66 Ų | 66 | 86% | 0.856 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 37.6 | 167.9 | -63.2 | -10 | 0 | 0 | 0 | 118.3 | ||
| 596 | K | 46.7 | Very low | 62.4 | Low | 153 Ų | 153 | 65.3 Ų | 65.3 | 67% | 0.665 | 35% | 0.351 | S | S | * | . | trans | -170 | 133.8 | 137.6 | -106.2 | 154.2 | -173.9 | 175.5 | 0 | 111.4 | ||||
| 597 | S | 56.9 | Low | 62.3 | Low | 47 Ų | 47 | 63.3 Ų | 63.3 | 33% | 0.329 | 35% | 0.346 | S | S | . | . | trans | -67.5 | 133.9 | 170.7 | 56.3 | 0 | 0 | 0 | 0 | 110 | C599 | S597-C599 WeakPolarHBondContact CB-O 3.01Å; S597-C599 PolarHBondContact O-N 3.32Å; S597-C599 PolarHBondContact OG-O 2.83Å | ||
| 598 | I | 69 | Low | 62.5 | Low | 53 Ų | 53 | 62.2 Ų | 62.2 | 27% | 0.272 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -68.4 | -26.7 | 176.3 | -69 | 175.2 | 0 | 0 | 0 | 110.9 | P590 F600 T614 Q626 | P590-I598 WeakPolarHBondContact O-CD1 3.35Å; I598-F600 WeakPolarHBondContact O-CD2 3.5Å; I598-F600 WeakPolarHBondContact O-CE2 3.15Å; I598-T614 HydrophobicContact CD1-CG2 4.07Å; I598-Q626 HydrophobicContact CG2-CG 4.41Å; I598-Q626 WeakPolarHBondContact O-CB 3.47Å; I598-Q626 VanDerWaalsContact O-CG 3.31Å; I598-Q626 WeakPolarHBondContact O-CG 3.3Å |
| 599 | C | 73.9 | Confident | 61.9 | Low | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -97.3 | 130.4 | 171.1 | -43.3 | 0 | 0 | 0 | 0 | 108.9 | S597 G603 C605 C616 | S597-C599 WeakPolarHBondContact CB-O 3.01Å; S597-C599 PolarHBondContact O-N 3.32Å; S597-C599 PolarHBondContact OG-O 2.83Å; C599-G603 WeakPolarHBondContact CB-O 3.25Å; C599-C605 WeakPolarHBondContact SG-CA 3.17Å; C599-C605 VanDerWaalsContact SG-CB 3.54Å; C599-C616 WeakPolarHBondContact CA-SG 3.43Å; C599-C616 HydrophobicContact CB-CB 3.64Å; C599-C616 WeakPolarHBondContact CB-SG 3.48Å; C599-C616 WeakPolarHBondContact SG-CA 3.44Å; C599-C616 WeakPolarHBondContact SG-CB 3.37Å; C599-C616 CovalentContact SG-SG 2.03Å; C599-C616 PolarHBondContact SG-SG 3.45Å |
| 600 | F | 73 | Confident | 61.4 | Low | 30 Ų | 30 | 65.4 Ų | 65.4 | 13% | 0.132 | 37% | 0.369 | C | S | . | . | trans | -96.5 | 174.8 | -178 | -66.4 | -104 | 0 | 0 | 0 | 109.5 | I598 G602 G603 Q626 C627 R628 | I598-F600 WeakPolarHBondContact O-CD2 3.5Å; I598-F600 WeakPolarHBondContact O-CE2 3.15Å; F600-G602 VanDerWaalsContact C-N 3.3Å; F600-G602 PolarHBondContact O-N 2.65Å; F600-G602 VanDerWaalsContact O-N 3.09Å; F600-G603 PolarHBondContact O-N 3.06Å; F600-Q626 HydrophobicContact CD2-CB 4.17Å; F600-Q626 PolarHBondContact N-O 3.06Å; F600-C627 WeakPolarHBondContact O-CB 3.19Å; F600-R628 HydrophobicContact CB-CG 3.88Å; F600-R628 HydrophobicContact CD1-CG 4.49Å; F600-R628 HydrophobicContact CD2-CG 3.53Å; F600-R628 HydrophobicContact CE2-CG 4.26Å; F600-R628 HydrophobicContact CG-CG 3.7Å | ||
| 601 | N | 68.9 | Low | 61 | Low | 24 Ų | 24 | 64.5 Ų | 64.5 | 13% | 0.128 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 41.6 | 167.9 | -50.2 | -18.5 | 0 | 0 | 0 | 114.7 | P619 F622 C627 R2079 | N601-P619 WeakPolarHBondContact O-CG 3Å; N601-F622 HydrophobicContact CB-CB 4.49Å; N601-F622 HydrophobicContact CB-CD1 3.79Å; N601-F622 HydrophobicContact CB-CD2 3.63Å; N601-F622 HydrophobicContact CB-CE1 3.84Å; N601-F622 HydrophobicContact CB-CE2 3.67Å; N601-F622 HydrophobicContact CB-CG 3.69Å; N601-F622 HydrophobicContact CB-CZ 3.76Å; N601-F622 WeakPolarHBondContact ND2-CD1 3.14Å; N601-F622 WeakPolarHBondContact ND2-CE1 3.31Å; N601-C627 WeakPolarHBondContact CB-O 3.44Å; N601-C627 PolarHBondContact ND2-O 3.3Å; N601-R2079 PolarHBondContact OD1-NH1 2.88Å |
| 602 | G | 61.8 | Low | 60.3 | Low | 29 Ų | 29 | 66.9 Ų | 66.9 | 30% | 0.299 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | -3.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | F600 S2078 | F600-G602 VanDerWaalsContact C-N 3.3Å; F600-G602 PolarHBondContact O-N 2.65Å; F600-G602 VanDerWaalsContact O-N 3.09Å; G602-S2078 WeakPolarHBondContact CA-OG 3.41Å |
| 603 | G | 76.7 | Confident | 60.1 | Low | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 142.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115 | C599 F600 L617 N2076 | C599-G603 WeakPolarHBondContact CB-O 3.25Å; F600-G603 PolarHBondContact O-N 3.06Å; G603-L617 CarbonylContact C-O 3.54Å; G603-L617 WeakPolarHBondContact CA-O 3.27Å; G603-N2076 PolarHBondContact O-ND2 3.15Å |
| 604 | I | 75.6 | Confident | 60.7 | Low | 108 Ų | 108 | 62.5 Ų | 62.5 | 55% | 0.554 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 124.7 | 178.6 | -58 | 175.4 | 0 | 0 | 0 | 109.1 | C616 L617 | I604-C616 WeakPolarHBondContact O-CA 3.24Å; I604-L617 HydrophobicContact CB-CB 4.41Å; I604-L617 PolarHBondContact N-O 3.22Å; I604-L617 PolarHBondContact O-N 2.6Å |
| 605 | C | 78.9 | Confident | 62.3 | Low | 26 Ų | 26 | 60.8 Ų | 60.8 | 18% | 0.176 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 126.3 | 179.1 | -169.7 | 0 | 0 | 0 | 0 | 110.9 | C591 C599 | C591-C605 HydrophobicContact CB-CB 3.74Å; C591-C605 WeakPolarHBondContact CB-SG 3.49Å; C591-C605 WeakPolarHBondContact SG-CB 3.28Å; C591-C605 CovalentContact SG-SG 2.04Å; C591-C605 PolarHBondContact SG-SG 3.25Å; C599-C605 WeakPolarHBondContact SG-CA 3.17Å; C599-C605 VanDerWaalsContact SG-CB 3.54Å |
| 606 | S | 69.1 | Low | 64.4 | Low | 50 Ų | 50 | 53.2 Ų | 53.2 | 35% | 0.35 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 131.7 | 173.6 | -172.8 | 0 | 0 | 0 | 0 | 110.4 | L615 | S606-L615 PolarHBondContact N-O 2.96Å; S606-L615 PolarHBondContact O-N 3.46Å |
| 607 | P | 66 | Low | 65.8 | Low | 44 Ų | 44 | 50.2 Ų | 50.2 | 29% | 0.286 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 141 | 171.8 | 29.3 | -33.6 | 0 | 0 | 0 | 110.5 | Y580 P590 | Y580-P607 HydrophobicContact CD2-CB 4.45Å; P590-P607 HydrophobicContact CG-CB 4.11Å |
| 608 | T | 62.5 | Low | 67 | Low | 50 Ų | 50 | 48.9 Ų | 48.9 | 31% | 0.307 | 30% | 0.296 | S | S | . | . | trans | -72 | 155.9 | 175 | 62.8 | 0 | 0 | 0 | 0 | 111.6 | D610 G611 G613 L615 | T608-D610 PolarHBondContact O-N 2.94Å; T608-G611 PolarHBondContact O-N 3.19Å; T608-G613 PolarHBondContact N-O 3.33Å; T608-G613 PolarHBondContact OG1-N 2.69Å; T608-G613 PolarHBondContact OG1-O 3.35Å; T608-L615 HydrophobicContact CG2-CB 4.28Å | ||
| 609 | S | 48.7 | Very low | 66.9 | Low | 122 Ų | 122 | 48.7 Ų | 48.7 | 85% | 0.853 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | -26.8 | -179.2 | 47.1 | 0 | 0 | 0 | 0 | 115.1 | ||
| 610 | D | 51.4 | Low | 66.6 | Low | 113 Ų | 113 | 53.3 Ų | 53.3 | 60% | 0.604 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -7.9 | -170.1 | -53.1 | 1.6 | 0 | 0 | 0 | 112 | T608 I612 | T608-D610 PolarHBondContact O-N 2.94Å; D610-I612 VanDerWaalsContact C-N 3.31Å; D610-I612 HydrophobicContact CB-CD1 4.01Å; D610-I612 HydrophobicContact CB-CG1 4.42Å; D610-I612 PolarHBondContact O-N 3.2Å |
| 611 | G | 49 | Very low | 66.3 | Low | 15 Ų | 15 | 51.9 Ų | 51.9 | 16% | 0.155 | 31% | 0.312 | C | S | . | . | S | Bend | trans | 69.8 | 21.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y580 T608 | Y580-G611 WeakPolarHBondContact OH-CA 3.37Å; Y580-G611 PolarHBondContact OH-O 3.14Å; T608-G611 PolarHBondContact O-N 3.19Å |
| 612 | I | 52 | Low | 66.8 | Low | 91 Ų | 91 | 51.6 Ų | 51.6 | 47% | 0.467 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -114.7 | -26.7 | -175.6 | -57.7 | 158.8 | 0 | 0 | 0 | 111.8 | D610 L855 | D610-I612 VanDerWaalsContact C-N 3.31Å; D610-I612 HydrophobicContact CB-CD1 4.01Å; D610-I612 HydrophobicContact CB-CG1 4.42Å; D610-I612 PolarHBondContact O-N 3.2Å; I612-L855 HydrophobicContact CD1-CB 3.7Å; I612-L855 HydrophobicContact CD1-CD1 4.28Å; I612-L855 HydrophobicContact CD1-CG 4.23Å; I612-L855 HydrophobicContact CG1-CB 3.83Å; I612-L855 HydrophobicContact CG1-CD1 3.74Å; I612-L855 HydrophobicContact CG1-CG 3.78Å |
| 613 | G | 54.5 | Low | 67.5 | Low | 26 Ų | 26 | 50.9 Ų | 50.9 | 27% | 0.268 | 30% | 0.299 | S | S | . | . | trans | -128.5 | 169 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | T608 | T608-G613 PolarHBondContact N-O 3.33Å; T608-G613 PolarHBondContact OG1-N 2.69Å; T608-G613 PolarHBondContact OG1-O 3.35Å | ||
| 614 | T | 66.4 | Low | 67.4 | Low | 45 Ų | 45 | 50.9 Ų | 50.9 | 28% | 0.276 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 131.9 | 170.1 | 42.9 | 0 | 0 | 0 | 0 | 108.6 | P590 I598 | P590-T614 HydrophobicContact CB-CG2 3.64Å; P590-T614 HydrophobicContact CG-CG2 3.67Å; I598-T614 HydrophobicContact CD1-CG2 4.07Å |
| 615 | L | 72.3 | Confident | 67 | Low | 90 Ų | 90 | 50.3 Ų | 50.3 | 47% | 0.471 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 131.4 | 167.2 | 178 | 63.4 | 0 | 0 | 0 | 107.9 | S606 T608 L617 | S606-L615 PolarHBondContact N-O 2.96Å; S606-L615 PolarHBondContact O-N 3.46Å; T608-L615 HydrophobicContact CG2-CB 4.28Å; L615-L617 HydrophobicContact CD2-CD2 4.23Å; L615-L617 HydrophobicContact CG-CD2 4.47Å |
| 616 | C | 79.9 | Confident | 67 | Low | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.014 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 121.3 | 170.5 | -69.9 | 0 | 0 | 0 | 0 | 109.5 | C599 I604 | C599-C616 WeakPolarHBondContact CA-SG 3.43Å; C599-C616 HydrophobicContact CB-CB 3.64Å; C599-C616 WeakPolarHBondContact CB-SG 3.48Å; C599-C616 WeakPolarHBondContact SG-CA 3.44Å; C599-C616 WeakPolarHBondContact SG-CB 3.37Å; C599-C616 CovalentContact SG-SG 2.03Å; C599-C616 PolarHBondContact SG-SG 3.45Å; I604-C616 WeakPolarHBondContact O-CA 3.24Å |
| 617 | L | 75.1 | Confident | 67.5 | Low | 89 Ų | 89 | 49.6 Ų | 49.6 | 47% | 0.466 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 123.8 | 167.6 | -60.2 | 174.9 | 0 | 0 | 0 | 107.4 | G603 I604 L615 | G603-L617 CarbonylContact C-O 3.54Å; G603-L617 WeakPolarHBondContact CA-O 3.27Å; I604-L617 HydrophobicContact CB-CB 4.41Å; I604-L617 PolarHBondContact N-O 3.22Å; I604-L617 PolarHBondContact O-N 2.6Å; L615-L617 HydrophobicContact CD2-CD2 4.23Å; L615-L617 HydrophobicContact CG-CD2 4.47Å |
| 618 | C | 81.5 | Confident | 68 | Low | 20 Ų | 20 | 49.7 Ų | 49.7 | 14% | 0.135 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -97.9 | 153.8 | -172.5 | -51.6 | 0 | 0 | 0 | 0 | 111.8 | F622 C627 | C618-F622 HydrophobicContact CB-CB 4.4Å; C618-F622 WeakPolarHBondContact CB-O 3.5Å; C618-C627 WeakPolarHBondContact CA-SG 3.42Å; C618-C627 HydrophobicContact CB-CB 3.7Å; C618-C627 WeakPolarHBondContact CB-SG 3.25Å; C618-C627 WeakPolarHBondContact SG-CA 3.49Å; C618-C627 WeakPolarHBondContact SG-CB 3.42Å; C618-C627 CovalentContact SG-SG 2.04Å; C618-C627 PolarHBondContact SG-SG 3.11Å |
| 619 | P | 68.1 | Low | 68.2 | Low | 48 Ų | 48 | 52.2 Ų | 52.2 | 31% | 0.312 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -99.4 | 146.8 | 172.3 | 37.3 | -31.1 | 0 | 0 | 0 | 111.9 | N601 G621 F622 D1175 | N601-P619 WeakPolarHBondContact O-CG 3Å; P619-G621 PolarHBondContact O-N 3.08Å; P619-F622 HydrophobicContact CG-CD2 4.42Å; P619-F622 PolarHBondContact O-N 3.5Å; P619-D1175 WeakPolarHBondContact CA-OD1 3.44Å |
| 620 | K | 67.8 | Low | 68.8 | Low | 98 Ų | 98 | 50 Ų | 50 | 43% | 0.426 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -25.8 | 108.6 | -175.7 | -179 | 129.6 | -173.1 | 157.9 | 0 | 113.5 | G651 D1172 D1175 | K620-G651 WeakPolarHBondContact CE-O 3.46Å; K620-G651 VanDerWaalsContact CG-O 3.27Å; K620-G651 WeakPolarHBondContact CG-O 3.26Å; K620-G651 WeakPolarHBondContact O-CA 3.46Å; K620-D1172 IonicContact NZ-OD1 3.45Å; K620-D1172 PolarHBondContact NZ-OD1 3.43Å; K620-D1175 WeakPolarHBondContact CA-OD1 3.38Å; K620-D1175 VanDerWaalsContact CA-OD2 3.25Å; K620-D1175 WeakPolarHBondContact CA-OD2 3.49Å; K620-D1175 PolarHBondContact N-OD1 2.91Å; K620-D1175 PolarHBondContact N-OD2 2.99Å |
| 621 | G | 66 | Low | 69.5 | Low | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 110.3 | 1.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | P619 L631 | P619-G621 PolarHBondContact O-N 3.08Å; G621-L631 PolarHBondContact O-N 3.35Å |
| 622 | F | 78.8 | Confident | 70.2 | Confident | 18 Ų | 18 | 48.5 Ų | 48.5 | 8% | 0.079 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 135.2 | -178.9 | -63.2 | -71.1 | 0 | 0 | 0 | 114.3 | N601 C618 P619 C627 E629 Q630 I650 C1176 | N601-F622 HydrophobicContact CB-CB 4.49Å; N601-F622 HydrophobicContact CB-CD1 3.79Å; N601-F622 HydrophobicContact CB-CD2 3.63Å; N601-F622 HydrophobicContact CB-CE1 3.84Å; N601-F622 HydrophobicContact CB-CE2 3.67Å; N601-F622 HydrophobicContact CB-CG 3.69Å; N601-F622 HydrophobicContact CB-CZ 3.76Å; N601-F622 WeakPolarHBondContact ND2-CD1 3.14Å; N601-F622 WeakPolarHBondContact ND2-CE1 3.31Å; C618-F622 HydrophobicContact CB-CB 4.4Å; C618-F622 WeakPolarHBondContact CB-O 3.5Å; P619-F622 HydrophobicContact CG-CD2 4.42Å; P619-F622 PolarHBondContact O-N 3.5Å; F622-C627 HydrophobicContact CB-CB 4.36Å; F622-E629 CarbonylContact C-O 3.59Å; F622-E629 WeakPolarHBondContact CA-O 3.39Å; F622-Q630 HydrophobicContact CD1-CB 4.22Å; F622-Q630 HydrophobicContact CE1-CB 4.01Å; F622-Q630 HydrophobicContact CE1-CG 4.23Å; F622-I650 HydrophobicContact CE2-CG2 3.4Å; F622-I650 VanDerWaalsContact CE2-CG2 3.4Å; F622-I650 HydrophobicContact CZ-CB 4.45Å; F622-I650 HydrophobicContact CZ-CD1 4.31Å; F622-I650 HydrophobicContact CZ-CG1 4.25Å; F622-I650 HydrophobicContact CZ-CG2 3.42Å; F622-I650 VanDerWaalsContact CZ-CG2 3.42Å; F622-C1176 CarbonylContact C-O 3.32Å; F622-C1176 VanDerWaalsContact O-O 3.11Å |
| 623 | T | 77.9 | Confident | 70.7 | Confident | 14 Ų | 14 | 45 Ų | 45 | 9% | 0.086 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | -177.5 | -178 | -168.7 | 0 | 0 | 0 | 0 | 112.5 | C627 R628 E629 L631 C1176 L1177 | T623-C627 CarbonylContact O-C 3.6Å; T623-C627 VanDerWaalsContact O-CA 3.28Å; T623-C627 WeakPolarHBondContact O-CA 3.3Å; T623-R628 PolarHBondContact O-N 2.69Å; T623-E629 HydrophobicContact CG2-CB 3.48Å; T623-E629 VanDerWaalsContact CG2-CB 3.48Å; T623-E629 PolarHBondContact N-O 2.95Å; T623-E629 PolarHBondContact O-N 3.2Å; T623-E629 VanDerWaalsContact O-N 3.16Å; T623-L631 HydrophobicContact CG2-CD1 4.05Å; T623-C1176 VanDerWaalsContact CB-O 3.27Å; T623-C1176 WeakPolarHBondContact CB-O 3.36Å; T623-L1177 WeakPolarHBondContact OG1-CA 3.5Å; T623-L1177 PolarHBondContact OG1-N 2.88Å |
| 624 | G | 73.3 | Confident | 71.4 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 161.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q626 C627 | G624-Q626 PolarHBondContact O-N 3.08Å; G624-C627 PolarHBondContact O-N 2.9Å |
| 625 | P | 68.9 | Low | 71.2 | Confident | 95 Ų | 95 | 48.8 Ų | 48.8 | 62% | 0.617 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 0.5 | -173 | 28.7 | -37 | 0 | 0 | 0 | 115 | ||
| 626 | Q | 77.6 | Confident | 70.2 | Confident | 62 Ų | 62 | 46.6 Ų | 46.6 | 29% | 0.29 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.3 | 15.2 | 174.5 | -71.3 | -167.4 | -13.8 | 0 | 0 | 112.9 | I598 F600 G624 R628 | I598-Q626 HydrophobicContact CG2-CG 4.41Å; I598-Q626 WeakPolarHBondContact O-CB 3.47Å; I598-Q626 VanDerWaalsContact O-CG 3.31Å; I598-Q626 WeakPolarHBondContact O-CG 3.3Å; F600-Q626 HydrophobicContact CD2-CB 4.17Å; F600-Q626 PolarHBondContact N-O 3.06Å; G624-Q626 PolarHBondContact O-N 3.08Å; Q626-R628 HydrophobicContact CB-CG 4.05Å; Q626-R628 PolarHBondContact O-N 2.97Å; Q626-R628 VanDerWaalsContact OE1-NE 3.15Å |
| 627 | C | 79.4 | Confident | 68.5 | Low | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 35.9 | -179.5 | -46.7 | 0 | 0 | 0 | 0 | 113.8 | F600 N601 C618 F622 T623 G624 | F600-C627 WeakPolarHBondContact O-CB 3.19Å; N601-C627 WeakPolarHBondContact CB-O 3.44Å; N601-C627 PolarHBondContact ND2-O 3.3Å; C618-C627 WeakPolarHBondContact CA-SG 3.42Å; C618-C627 HydrophobicContact CB-CB 3.7Å; C618-C627 WeakPolarHBondContact CB-SG 3.25Å; C618-C627 WeakPolarHBondContact SG-CA 3.49Å; C618-C627 WeakPolarHBondContact SG-CB 3.42Å; C618-C627 CovalentContact SG-SG 2.04Å; C618-C627 PolarHBondContact SG-SG 3.11Å; F622-C627 HydrophobicContact CB-CB 4.36Å; T623-C627 CarbonylContact O-C 3.6Å; T623-C627 VanDerWaalsContact O-CA 3.28Å; T623-C627 WeakPolarHBondContact O-CA 3.3Å; G624-C627 PolarHBondContact O-N 2.9Å |
| 628 | R | 76.3 | Confident | 67.4 | Low | 45 Ų | 45 | 57.7 Ų | 57.7 | 17% | 0.17 | 31% | 0.307 | C | S | . | . | trans | -97.1 | -27.6 | -177.5 | -68.7 | -164.5 | -165.4 | -172.5 | 19.8 | 113.7 | N80 S95 P96 F600 T623 Q626 Q630 | N80-R628 PolarHBondContact O-NH1 3.11Å; S95-R628 PolarHBondContact OG-NH1 3.26Å; P96-R628 WeakPolarHBondContact CG-O 3.31Å; F600-R628 HydrophobicContact CB-CG 3.88Å; F600-R628 HydrophobicContact CD1-CG 4.49Å; F600-R628 HydrophobicContact CD2-CG 3.53Å; F600-R628 HydrophobicContact CE2-CG 4.26Å; F600-R628 HydrophobicContact CG-CG 3.7Å; T623-R628 PolarHBondContact O-N 2.69Å; Q626-R628 HydrophobicContact CB-CG 4.05Å; Q626-R628 PolarHBondContact O-N 2.97Å; Q626-R628 VanDerWaalsContact OE1-NE 3.15Å; R628-Q630 PolarHBondContact O-N 3.4Å | ||
| 629 | E | 66.6 | Low | 66.7 | Low | 104 Ų | 104 | 57.8 Ų | 57.8 | 49% | 0.486 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 114.9 | -175.4 | -69.2 | 153.8 | -135.4 | 0 | 0 | 106.9 | F622 T623 L631 | F622-E629 CarbonylContact C-O 3.59Å; F622-E629 WeakPolarHBondContact CA-O 3.39Å; T623-E629 HydrophobicContact CG2-CB 3.48Å; T623-E629 VanDerWaalsContact CG2-CB 3.48Å; T623-E629 PolarHBondContact N-O 2.95Å; T623-E629 PolarHBondContact O-N 3.2Å; T623-E629 VanDerWaalsContact O-N 3.16Å; E629-L631 PolarHBondContact O-N 3.26Å |
| 630 | Q | 62.6 | Low | 66.8 | Low | 74 Ų | 74 | 56.1 Ų | 56.1 | 35% | 0.346 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 131 | 169.4 | -177.7 | 176.5 | -23.2 | 0 | 0 | 108.4 | F622 R628 N632 D648 | F622-Q630 HydrophobicContact CD1-CB 4.22Å; F622-Q630 HydrophobicContact CE1-CB 4.01Å; F622-Q630 HydrophobicContact CE1-CG 4.23Å; R628-Q630 PolarHBondContact O-N 3.4Å; Q630-N632 PolarHBondContact O-N 3.35Å; Q630-D648 PolarHBondContact NE2-OD2 3.13Å |
| 631 | L | 65.4 | Low | 67.1 | Low | 32 Ų | 32 | 55.6 Ų | 55.6 | 17% | 0.168 | 30% | 0.297 | C | S | . | . | trans | -77.2 | 119.7 | 174.4 | -164.3 | 80.1 | 0 | 0 | 0 | 108.7 | G621 T623 E629 E633 H1173 G1174 C1176 | G621-L631 PolarHBondContact O-N 3.35Å; T623-L631 HydrophobicContact CG2-CD1 4.05Å; E629-L631 PolarHBondContact O-N 3.26Å; L631-E633 HydrophobicContact CD2-CG 4.11Å; L631-E633 PolarHBondContact O-N 3.38Å; L631-H1173 HydrophobicContact CD2-CB 4.16Å; L631-G1174 WeakPolarHBondContact CD2-O 3.34Å; L631-C1176 HydrophobicContact CD1-CB 3.4Å; L631-C1176 VanDerWaalsContact CD1-CB 3.4Å; L631-C1176 HydrophobicContact CD2-CB 3.66Å; L631-C1176 HydrophobicContact CG-CB 4.17Å | ||
| 632 | N | 63.6 | Low | 67.3 | Low | 66 Ų | 66 | 57.6 Ų | 57.6 | 35% | 0.353 | 31% | 0.308 | S | S | . | . | trans | -86.4 | 97.3 | 174.8 | -171.9 | -79.4 | 0 | 0 | 0 | 109.9 | Q630 C634 T635 D648 | Q630-N632 PolarHBondContact O-N 3.35Å; N632-C634 PolarHBondContact O-N 2.94Å; N632-C634 VanDerWaalsContact O-N 3.17Å; N632-C634 WeakPolarHBondContact OD1-CB 3.4Å; N632-C634 PolarHBondContact OD1-N 2.98Å; N632-T635 HydrophobicContact CB-CG2 3.97Å; N632-T635 PolarHBondContact O-N 2.72Å; N632-T635 VanDerWaalsContact O-N 3.13Å; N632-T635 PolarHBondContact O-OG1 3Å; N632-T635 WeakPolarHBondContact OD1-CG2 3.46Å; N632-T635 PolarHBondContact OD1-N 3.36Å; N632-D648 VanDerWaalsContact CA-OD1 3.26Å; N632-D648 WeakPolarHBondContact CA-OD1 3.28Å; N632-D648 WeakPolarHBondContact CA-OD2 3.33Å; N632-D648 WeakPolarHBondContact ND2-CB 3.38Å; N632-D648 PolarHBondContact ND2-OD2 3.37Å | ||
| 633 | E | 63.9 | Low | 67 | Low | 16 Ų | 16 | 62.8 Ų | 62.8 | 8% | 0.075 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -70.4 | -11.4 | -173.9 | -65.3 | -179.6 | 179.6 | 0 | 0 | 112.3 | L631 T635 S639 D648 N652 Y653 G1174 | L631-E633 HydrophobicContact CD2-CG 4.11Å; L631-E633 PolarHBondContact O-N 3.38Å; E633-T635 VanDerWaalsContact C-N 3.35Å; E633-S639 PolarHBondContact O-OG 3.36Å; E633-D648 PolarHBondContact N-OD1 3.23Å; E633-N652 WeakPolarHBondContact OE2-CA 2.98Å; E633-N652 PolarHBondContact OE2-N 3.43Å; E633-Y653 HydrophobicContact CB-CD1 3.81Å; E633-Y653 HydrophobicContact CB-CG 4.43Å; E633-Y653 PolarHBondContact OE2-N 2.86Å; E633-G1174 PolarHBondContact OE1-N 3.4Å |
| 634 | C | 69 | Low | 66.7 | Low | 31 Ų | 31 | 62.7 Ų | 62.7 | 21% | 0.209 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -82.3 | 1.2 | 172.1 | -63.7 | 0 | 0 | 0 | 0 | 115 | N632 C646 L647 | N632-C634 PolarHBondContact O-N 2.94Å; N632-C634 VanDerWaalsContact O-N 3.17Å; N632-C634 WeakPolarHBondContact OD1-CB 3.4Å; N632-C634 PolarHBondContact OD1-N 2.98Å; C634-C646 WeakPolarHBondContact CA-SG 3.24Å; C634-C646 HydrophobicContact CB-CB 3.63Å; C634-C646 WeakPolarHBondContact CB-SG 3.42Å; C634-C646 WeakPolarHBondContact SG-CB 3.27Å; C634-C646 CovalentContact SG-SG 2.03Å; C634-C646 PolarHBondContact SG-SG 3.24Å; C634-L647 VanDerWaalsContact SG-C 3.57Å |
| 635 | T | 61.6 | Low | 67 | Low | 121 Ų | 121 | 68 Ų | 68 | 74% | 0.742 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -82.4 | -8.5 | -179.4 | 51.2 | 0 | 0 | 0 | 0 | 115.5 | N632 E633 | N632-T635 HydrophobicContact CB-CG2 3.97Å; N632-T635 PolarHBondContact O-N 2.72Å; N632-T635 VanDerWaalsContact O-N 3.13Å; N632-T635 PolarHBondContact O-OG1 3Å; N632-T635 WeakPolarHBondContact OD1-CG2 3.46Å; N632-T635 PolarHBondContact OD1-N 3.36Å; E633-T635 VanDerWaalsContact C-N 3.35Å |
| 636 | G | 51.4 | Low | 67.6 | Low | 44 Ų | 44 | 65.1 Ų | 65.1 | 45% | 0.454 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -78 | 150.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | H638 | G636-H638 PolarHBondContact O-N 3Š|
| 637 | Q | 43.9 | Very low | 67.5 | Low | 187 Ų | 187 | 66 Ų | 66 | 87% | 0.874 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | 107.2 | 169.3 | -75.7 | -168 | -74.8 | 0 | 0 | 110 | ||
| 638 | H | 52.5 | Low | 67.1 | Low | 137 Ų | 137 | 68.3 Ų | 68.3 | 63% | 0.634 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 40.9 | 173.7 | -47.8 | -71.3 | 0 | 0 | 0 | 117.5 | G636 C640 | G636-H638 PolarHBondContact O-N 3Å; H638-C640 PolarHBondContact O-N 3.45Å |
| 639 | S | 66.7 | Low | 66.4 | Low | 21 Ų | 21 | 70 Ų | 70 | 15% | 0.147 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -53 | -43.3 | 158.1 | -45.2 | 0 | 0 | 0 | 0 | 110.1 | E633 Y653 N665 | E633-S639 PolarHBondContact O-OG 3.36Å; S639-Y653 WeakPolarHBondContact O-CE2 2.98Å; S639-N665 WeakPolarHBondContact O-CB 3Å; S639-N665 VanDerWaalsContact O-CG 3.25Å; S639-N665 PolarHBondContact O-ND2 3.32Å |
| 640 | C | 70.5 | Confident | 66.2 | Low | 13 Ų | 13 | 69.4 Ų | 69.4 | 9% | 0.088 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -103 | 130.5 | 164 | -55 | 0 | 0 | 0 | 0 | 111.1 | H638 G644 C646 C655 | H638-C640 PolarHBondContact O-N 3.45Å; C640-G644 VanDerWaalsContact CB-O 3.26Å; C640-G644 WeakPolarHBondContact CB-O 3.28Å; C640-C646 HydrophobicContact CB-CB 4.34Å; C640-C646 WeakPolarHBondContact SG-CA 3.17Å; C640-C646 WeakPolarHBondContact SG-CB 3.48Å; C640-C646 VanDerWaalsContact SG-SG 3.69Å; C640-C655 WeakPolarHBondContact CA-SG 3.14Å; C640-C655 HydrophobicContact CB-CB 3.8Å; C640-C655 WeakPolarHBondContact CB-SG 3.34Å; C640-C655 WeakPolarHBondContact SG-CA 3.32Å; C640-C655 WeakPolarHBondContact SG-CB 3.28Å; C640-C655 CovalentContact SG-SG 2.02Å; C640-C655 PolarHBondContact SG-SG 2.95Å |
| 641 | M | 73.4 | Confident | 65.8 | Low | 87 Ų | 87 | 66.2 Ų | 66.2 | 43% | 0.429 | 37% | 0.368 | S | S | . | . | trans | -88.5 | 176.4 | 172.6 | -58.9 | -164.6 | 178.4 | 0 | 0 | 111 | D643 G644 N665 E667 | M641-D643 VanDerWaalsContact C-N 3.27Å; M641-D643 PolarHBondContact O-N 2.89Å; M641-D643 VanDerWaalsContact O-N 3.08Å; M641-G644 PolarHBondContact O-N 3.43Å; M641-N665 WeakPolarHBondContact CB-O 3.35Å; M641-N665 PolarHBondContact N-O 3.17Å; M641-E667 HydrophobicContact CG-CB 4.5Å; M641-E667 HydrophobicContact SD-CB 3.82Å | ||
| 642 | N | 71 | Confident | 65.6 | Low | 43 Ų | 43 | 68.9 Ų | 68.9 | 23% | 0.23 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 34.8 | 158.8 | -73.1 | -16 | 0 | 0 | 0 | 115.8 | G644 R661 C666 E667 | N642-G644 PolarHBondContact O-N 3.46Å; N642-R661 HydrophobicContact CB-CB 4.4Å; N642-R661 HydrophobicContact CB-CG 4.06Å; N642-R661 VanDerWaalsContact CB-CZ 3.46Å; N642-R661 PolarHBondContact ND2-NH1 3Å; N642-R661 PolarHBondContact O-NE 3.43Å; N642-R661 PolarHBondContact OD1-NH1 3.37Å; N642-C666 HydrophobicContact CB-CB 4.47Å; N642-C666 WeakPolarHBondContact CB-O 3.39Å; N642-C666 PolarHBondContact ND2-O 3.19Å; N642-E667 PolarHBondContact ND2-O 3.16Å |
| 643 | D | 71 | Confident | 66.1 | Low | 126 Ų | 126 | 68.4 Ų | 68.4 | 67% | 0.674 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 19.9 | -178.6 | -36 | -68.6 | 0 | 0 | 0 | 113.6 | M641 P658 R661 | M641-D643 VanDerWaalsContact C-N 3.27Å; M641-D643 PolarHBondContact O-N 2.89Å; M641-D643 VanDerWaalsContact O-N 3.08Å; D643-P658 HydrophobicContact CB-CG 4.03Å; D643-P658 VanDerWaalsContact O-CG 3.31Å; D643-P658 WeakPolarHBondContact O-CG 3.47Å; D643-R661 IonicContact OD2-CZ 3.81Å; D643-R661 IonicContact OD2-NH2 2.67Å; D643-R661 PolarHBondContact OD2-NH2 3.08Å |
| 644 | G | 73 | Confident | 66.7 | Low | 13 Ų | 13 | 73.5 Ų | 73.5 | 13% | 0.134 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 131.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C640 M641 N642 C646 L656 | C640-G644 VanDerWaalsContact CB-O 3.26Å; C640-G644 WeakPolarHBondContact CB-O 3.28Å; M641-G644 PolarHBondContact O-N 3.43Å; N642-G644 PolarHBondContact O-N 3.46Å; G644-C646 PolarHBondContact O-N 3.41Å; G644-L656 WeakPolarHBondContact CA-O 3.09Å |
| 645 | I | 78.4 | Confident | 67.3 | Low | 111 Ų | 111 | 72.2 Ų | 72.2 | 57% | 0.569 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 118 | 176.7 | -55.7 | 173.3 | 0 | 0 | 0 | 108.1 | C655 L656 | I645-C655 WeakPolarHBondContact O-CA 3.37Å; I645-L656 HydrophobicContact CB-CB 4.27Å; I645-L656 PolarHBondContact N-O 3.32Å; I645-L656 PolarHBondContact O-N 3.29Å |
| 646 | C | 82.5 | Confident | 68.1 | Low | 35 Ų | 35 | 70.8 Ų | 70.8 | 24% | 0.236 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 125.8 | 176.6 | -164.1 | 0 | 0 | 0 | 0 | 110.9 | C634 C640 G644 | C634-C646 WeakPolarHBondContact CA-SG 3.24Å; C634-C646 HydrophobicContact CB-CB 3.63Å; C634-C646 WeakPolarHBondContact CB-SG 3.42Å; C634-C646 WeakPolarHBondContact SG-CB 3.27Å; C634-C646 CovalentContact SG-SG 2.03Å; C634-C646 PolarHBondContact SG-SG 3.24Å; C640-C646 HydrophobicContact CB-CB 4.34Å; C640-C646 WeakPolarHBondContact SG-CA 3.17Å; C640-C646 WeakPolarHBondContact SG-CB 3.48Å; C640-C646 VanDerWaalsContact SG-SG 3.69Å; G644-C646 PolarHBondContact O-N 3.41Å |
| 647 | L | 75.5 | Confident | 69.6 | Low | 79 Ų | 79 | 70.9 Ų | 70.9 | 41% | 0.414 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 124.9 | 169 | -60.1 | -177.1 | 0 | 0 | 0 | 109 | C634 Y653 H654 L656 | C634-L647 VanDerWaalsContact SG-C 3.57Å; L647-Y653 WeakPolarHBondContact O-CA 3.28Å; L647-H654 WeakPolarHBondContact CB-O 3.46Å; L647-H654 PolarHBondContact N-O 3.5Å; L647-H654 PolarHBondContact O-N 3.32Å; L647-L656 HydrophobicContact CD1-CD1 3.81Å; L647-L656 HydrophobicContact CD1-CD2 4.34Å; L647-L656 HydrophobicContact CD1-CG 3.83Å; L647-L656 HydrophobicContact CG-CD1 4.26Å; L647-L656 HydrophobicContact CG-CG 4.23Å |
| 648 | D | 69.4 | Low | 71 | Confident | 50 Ų | 50 | 64.2 Ų | 64.2 | 27% | 0.267 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 125 | 179.9 | -166.9 | 49 | 0 | 0 | 0 | 109.7 | Q630 N632 E633 | Q630-D648 PolarHBondContact NE2-OD2 3.13Å; N632-D648 VanDerWaalsContact CA-OD1 3.26Å; N632-D648 WeakPolarHBondContact CA-OD1 3.28Å; N632-D648 WeakPolarHBondContact CA-OD2 3.33Å; N632-D648 WeakPolarHBondContact ND2-CB 3.38Å; N632-D648 PolarHBondContact ND2-OD2 3.37Å; E633-D648 PolarHBondContact N-OD1 3.23Å |
| 649 | V | 62.1 | Low | 71.7 | Confident | 79 Ų | 79 | 65.3 Ų | 65.3 | 48% | 0.479 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 161.7 | 178 | -166.6 | 0 | 0 | 0 | 0 | 107.8 | G651 N652 | V649-G651 PolarHBondContact O-N 3.07Å; V649-N652 CarbonylContact C-O 3.3Å; V649-N652 VanDerWaalsContact C-O 3.29Å; V649-N652 VanDerWaalsContact CA-O 3.31Å; V649-N652 WeakPolarHBondContact CA-O 3.21Å; V649-N652 VanDerWaalsContact CB-O 3.24Å; V649-N652 WeakPolarHBondContact CB-O 3.39Å; V649-N652 PolarHBondContact N-O 2.9Å; V649-N652 PolarHBondContact O-N 2.91Å |
| 650 | I | 62.9 | Low | 71.1 | Confident | 92 Ų | 92 | 65.5 Ų | 65.5 | 47% | 0.472 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | 105.3 | -178.1 | -65.9 | 170.7 | 0 | 0 | 0 | 109.5 | F622 | F622-I650 HydrophobicContact CE2-CG2 3.4Å; F622-I650 VanDerWaalsContact CE2-CG2 3.4Å; F622-I650 HydrophobicContact CZ-CB 4.45Å; F622-I650 HydrophobicContact CZ-CD1 4.31Å; F622-I650 HydrophobicContact CZ-CG1 4.25Å; F622-I650 HydrophobicContact CZ-CG2 3.42Å; F622-I650 VanDerWaalsContact CZ-CG2 3.42Å |
| 651 | G | 53.1 | Low | 71.3 | Confident | 8 Ų | 8 | 68 Ų | 68 | 8% | 0.082 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 9.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | K620 V649 | K620-G651 WeakPolarHBondContact CE-O 3.46Å; K620-G651 VanDerWaalsContact CG-O 3.27Å; K620-G651 WeakPolarHBondContact CG-O 3.26Å; K620-G651 WeakPolarHBondContact O-CA 3.46Å; V649-G651 PolarHBondContact O-N 3.07Å |
| 652 | N | 63 | Low | 71.3 | Confident | 88 Ų | 88 | 68.2 Ų | 68.2 | 47% | 0.471 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 160.8 | 172.9 | -156.5 | 8.4 | 0 | 0 | 0 | 110.2 | E633 V649 | E633-N652 WeakPolarHBondContact OE2-CA 2.98Å; E633-N652 PolarHBondContact OE2-N 3.43Å; V649-N652 CarbonylContact C-O 3.3Å; V649-N652 VanDerWaalsContact C-O 3.29Å; V649-N652 VanDerWaalsContact CA-O 3.31Å; V649-N652 WeakPolarHBondContact CA-O 3.21Å; V649-N652 VanDerWaalsContact CB-O 3.24Å; V649-N652 WeakPolarHBondContact CB-O 3.39Å; V649-N652 PolarHBondContact N-O 2.9Å; V649-N652 PolarHBondContact O-N 2.91Å |
| 653 | Y | 73.5 | Confident | 71 | Confident | 56 Ų | 56 | 67.7 Ų | 67.7 | 22% | 0.22 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 155.7 | 168.8 | 62 | -83.2 | 0 | 0 | 0 | 112 | E633 S639 L647 N665 | E633-Y653 HydrophobicContact CB-CD1 3.81Å; E633-Y653 HydrophobicContact CB-CG 4.43Å; E633-Y653 PolarHBondContact OE2-N 2.86Å; S639-Y653 WeakPolarHBondContact O-CE2 2.98Å; L647-Y653 WeakPolarHBondContact O-CA 3.28Å; Y653-N665 PolarHBondContact OH-ND2 2.66Å |
| 654 | H | 75.8 | Confident | 70.9 | Confident | 122 Ų | 122 | 68.6 Ų | 68.6 | 57% | 0.565 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 130.9 | 173.5 | -162.7 | -49.8 | 0 | 0 | 0 | 110.8 | L647 | L647-H654 WeakPolarHBondContact CB-O 3.46Å; L647-H654 PolarHBondContact N-O 3.5Å; L647-H654 PolarHBondContact O-N 3.32Å |
| 655 | C | 82.5 | Confident | 71.1 | Confident | 4 Ų | 4 | 69.9 Ų | 69.9 | 3% | 0.027 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 127.5 | 176.8 | -58 | 0 | 0 | 0 | 0 | 111.6 | C640 I645 M664 C666 | C640-C655 WeakPolarHBondContact CA-SG 3.14Å; C640-C655 HydrophobicContact CB-CB 3.8Å; C640-C655 WeakPolarHBondContact CB-SG 3.34Å; C640-C655 WeakPolarHBondContact SG-CA 3.32Å; C640-C655 WeakPolarHBondContact SG-CB 3.28Å; C640-C655 CovalentContact SG-SG 2.02Å; C640-C655 PolarHBondContact SG-SG 2.95Å; I645-C655 WeakPolarHBondContact O-CA 3.37Å; C655-M664 WeakPolarHBondContact CB-O 3.45Å; C655-M664 PolarHBondContact SG-O 3.2Å; C655-C666 WeakPolarHBondContact CB-SG 3.15Å |
| 656 | L | 78.3 | Confident | 71.2 | Confident | 91 Ų | 91 | 64.6 Ų | 64.6 | 48% | 0.476 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 107.4 | 167.4 | -68.9 | -179.7 | 0 | 0 | 0 | 109.5 | G644 I645 L647 | G644-L656 WeakPolarHBondContact CA-O 3.09Å; I645-L656 HydrophobicContact CB-CB 4.27Å; I645-L656 PolarHBondContact N-O 3.32Å; I645-L656 PolarHBondContact O-N 3.29Å; L647-L656 HydrophobicContact CD1-CD1 3.81Å; L647-L656 HydrophobicContact CD1-CD2 4.34Å; L647-L656 HydrophobicContact CD1-CG 3.83Å; L647-L656 HydrophobicContact CG-CD1 4.26Å; L647-L656 HydrophobicContact CG-CG 4.23Å |
| 657 | C | 83.3 | Confident | 70.9 | Confident | 47 Ų | 47 | 66.1 Ų | 66.1 | 32% | 0.318 | 36% | 0.36 | S | S | . | . | trans | -82.2 | 136.7 | -173.4 | -53.3 | 0 | 0 | 0 | 0 | 113.2 | R661 C666 | C657-R661 HydrophobicContact CB-CB 4.14Å; C657-R661 WeakPolarHBondContact CB-O 3.17Å; C657-C666 WeakPolarHBondContact CA-SG 3.21Å; C657-C666 HydrophobicContact CB-CB 3.81Å; C657-C666 WeakPolarHBondContact CB-SG 3.4Å; C657-C666 PolarHBondContact N-SG 2.82Å; C657-C666 WeakPolarHBondContact SG-CA 3.08Å; C657-C666 WeakPolarHBondContact SG-CB 3.35Å; C657-C666 CovalentContact SG-SG 2.04Å; C657-C666 PolarHBondContact SG-SG 3.17Å | ||
| 658 | P | 73.4 | Confident | 70.3 | Confident | 46 Ų | 46 | 66.1 Ų | 66.1 | 30% | 0.299 | 36% | 0.357 | S | S | . | . | trans | -59.1 | 154.6 | 168.7 | -22.9 | 32 | 0 | 0 | 0 | 112.1 | D643 G660 R661 | D643-P658 HydrophobicContact CB-CG 4.03Å; D643-P658 VanDerWaalsContact O-CG 3.31Å; D643-P658 WeakPolarHBondContact O-CG 3.47Å; P658-G660 PolarHBondContact O-N 3.08Å; P658-R661 HydrophobicContact CB-CG 4.12Å; P658-R661 HydrophobicContact CG-CG 4.23Å; P658-R661 PolarHBondContact O-N 3.44Å | ||
| 659 | V | 65.3 | Low | 69.4 | Low | 160 Ų | 160 | 66.1 Ų | 66.1 | 97% | 0.97 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 115.1 | 178.2 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | ||
| 660 | G | 55.8 | Low | 68.5 | Low | 26 Ų | 26 | 65.9 Ų | 65.9 | 27% | 0.268 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.4 | 14.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | P658 S670 | P658-G660 PolarHBondContact O-N 3.08Å; G660-S670 VanDerWaalsContact CA-OG 3.3Å; G660-S670 WeakPolarHBondContact CA-OG 3.24Å; G660-S670 PolarHBondContact O-N 3.39Å; G660-S670 PolarHBondContact O-OG 2.92Å |
| 661 | R | 74.1 | Confident | 67.2 | Low | 66 Ų | 66 | 70.5 Ų | 70.5 | 25% | 0.249 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 151.8 | 162.6 | -46.3 | -69.7 | -155.7 | 141.3 | 14.3 | 109.3 | N642 D643 C657 P658 C666 F668 | N642-R661 HydrophobicContact CB-CB 4.4Å; N642-R661 HydrophobicContact CB-CG 4.06Å; N642-R661 VanDerWaalsContact CB-CZ 3.46Å; N642-R661 PolarHBondContact ND2-NH1 3Å; N642-R661 PolarHBondContact O-NE 3.43Å; N642-R661 PolarHBondContact OD1-NH1 3.37Å; D643-R661 IonicContact OD2-CZ 3.81Å; D643-R661 IonicContact OD2-NH2 2.67Å; D643-R661 PolarHBondContact OD2-NH2 3.08Å; C657-R661 HydrophobicContact CB-CB 4.14Å; C657-R661 WeakPolarHBondContact CB-O 3.17Å; P658-R661 HydrophobicContact CB-CG 4.12Å; P658-R661 HydrophobicContact CG-CG 4.23Å; P658-R661 PolarHBondContact O-N 3.44Å; R661-C666 HydrophobicContact CB-CB 4.36Å; R661-F668 VanDerWaalsContact CA-O 3.25Å; R661-F668 WeakPolarHBondContact CA-O 3.27Å |
| 662 | H | 73 | Confident | 66.2 | Low | 90 Ų | 90 | 77 Ų | 77 | 42% | 0.417 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.6 | 167.5 | -178.6 | 32.8 | 75 | 0 | 0 | 0 | 111.4 | C666 E667 F668 S670 | H662-C666 CarbonylContact O-C 3.45Å; H662-C666 VanDerWaalsContact O-C 3.3Å; H662-E667 PolarHBondContact O-N 2.95Å; H662-F668 PolarHBondContact N-O 2.92Å; H662-F668 VanDerWaalsContact N-O 3.17Å; H662-F668 WeakPolarHBondContact O-CA 3.36Å; H662-F668 WeakPolarHBondContact O-CB 3.4Å; H662-F668 WeakPolarHBondContact O-CD2 3.03Å; H662-F668 PolarHBondContact O-N 2.73Å; H662-S670 WeakPolarHBondContact NE2-CA 3.35Å; H662-S670 WeakPolarHBondContact NE2-CB 3.34Å; H662-S670 PolarHBondContact NE2-N 2.96Å |
| 663 | G | 65.5 | Low | 64.6 | Low | 32 Ų | 32 | 78.6 Ų | 78.6 | 33% | 0.33 | 41% | 0.413 | S | S | . | . | S | Bend | trans | 111 | 160.4 | -165.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | N665 C666 E667 | G663-N665 PolarHBondContact O-N 3.47Å; G663-C666 PolarHBondContact O-N 3.33Å; G663-E667 VanDerWaalsContact C-OE2 3.28Å; G663-E667 VanDerWaalsContact CA-OE1 3.24Å; G663-E667 WeakPolarHBondContact CA-OE1 3.48Å; G663-E667 WeakPolarHBondContact CA-OE2 3.41Å |
| 664 | M | 67.6 | Low | 62.3 | Low | 145 Ų | 145 | 80.2 Ų | 80.2 | 71% | 0.714 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -32.9 | -177.2 | -78.4 | 178.6 | 63.3 | 0 | 0 | 111.9 | C655 E667 | C655-M664 WeakPolarHBondContact CB-O 3.45Å; C655-M664 PolarHBondContact SG-O 3.2Å; M664-E667 PolarHBondContact N-OE1 3.19Å; M664-E667 PolarHBondContact N-OE2 2.95Å |
| 665 | N | 77.4 | Confident | 59.9 | Low | 41 Ų | 41 | 79.7 Ų | 79.7 | 22% | 0.219 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 17.8 | 178.7 | -63.2 | 29.3 | 0 | 0 | 0 | 110.9 | S639 M641 Y653 G663 E667 | S639-N665 WeakPolarHBondContact O-CB 3Å; S639-N665 VanDerWaalsContact O-CG 3.25Å; S639-N665 PolarHBondContact O-ND2 3.32Å; M641-N665 WeakPolarHBondContact CB-O 3.35Å; M641-N665 PolarHBondContact N-O 3.17Å; Y653-N665 PolarHBondContact OH-ND2 2.66Å; G663-N665 PolarHBondContact O-N 3.47Å; N665-E667 VanDerWaalsContact CA-OE2 3.22Å; N665-E667 WeakPolarHBondContact CA-OE2 3.07Å; N665-E667 WeakPolarHBondContact CB-OE2 3.04Å; N665-E667 PolarHBondContact N-OE2 3.11Å; N665-E667 PolarHBondContact O-N 3.12Å; N665-E667 VanDerWaalsContact O-N 3.17Å |
| 666 | C | 81.3 | Confident | 57.2 | Low | 0 Ų | 0 | 87 Ų | 87 | 0% | 0 | 48% | 0.476 | C | S | . | . | S | Bend | trans | 57.1 | 18.3 | -172.8 | -53.4 | 0 | 0 | 0 | 0 | 115.5 | N642 C655 C657 R661 H662 G663 F668 | N642-C666 HydrophobicContact CB-CB 4.47Å; N642-C666 WeakPolarHBondContact CB-O 3.39Å; N642-C666 PolarHBondContact ND2-O 3.19Å; C655-C666 WeakPolarHBondContact CB-SG 3.15Å; C657-C666 WeakPolarHBondContact CA-SG 3.21Å; C657-C666 HydrophobicContact CB-CB 3.81Å; C657-C666 WeakPolarHBondContact CB-SG 3.4Å; C657-C666 PolarHBondContact N-SG 2.82Å; C657-C666 WeakPolarHBondContact SG-CA 3.08Å; C657-C666 WeakPolarHBondContact SG-CB 3.35Å; C657-C666 CovalentContact SG-SG 2.04Å; C657-C666 PolarHBondContact SG-SG 3.17Å; R661-C666 HydrophobicContact CB-CB 4.36Å; H662-C666 CarbonylContact O-C 3.45Å; H662-C666 VanDerWaalsContact O-C 3.3Å; G663-C666 PolarHBondContact O-N 3.33Å; C666-F668 VanDerWaalsContact C-N 3.27Å; C666-F668 PolarHBondContact O-N 3.19Å; C666-F668 VanDerWaalsContact O-N 3.13Å |
| 667 | E | 76.3 | Confident | 54.8 | Low | 66 Ų | 66 | 88.4 Ų | 88.4 | 31% | 0.308 | 48% | 0.48 | S | S | . | . | trans | -60.8 | -23.5 | -166.9 | 64.6 | -78.9 | -178 | 0 | 0 | 115.2 | M641 N642 H662 G663 M664 N665 | M641-E667 HydrophobicContact CG-CB 4.5Å; M641-E667 HydrophobicContact SD-CB 3.82Å; N642-E667 PolarHBondContact ND2-O 3.16Å; H662-E667 PolarHBondContact O-N 2.95Å; G663-E667 VanDerWaalsContact C-OE2 3.28Å; G663-E667 VanDerWaalsContact CA-OE1 3.24Å; G663-E667 WeakPolarHBondContact CA-OE1 3.48Å; G663-E667 WeakPolarHBondContact CA-OE2 3.41Å; M664-E667 PolarHBondContact N-OE1 3.19Å; M664-E667 PolarHBondContact N-OE2 2.95Å; N665-E667 VanDerWaalsContact CA-OE2 3.22Å; N665-E667 WeakPolarHBondContact CA-OE2 3.07Å; N665-E667 WeakPolarHBondContact CB-OE2 3.04Å; N665-E667 PolarHBondContact N-OE2 3.11Å; N665-E667 PolarHBondContact O-N 3.12Å; N665-E667 VanDerWaalsContact O-N 3.17Å | ||
| 668 | F | 61.9 | Low | 52 | Low | 79 Ų | 79 | 90.5 Ų | 90.5 | 35% | 0.346 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 154.2 | -180 | -53.7 | -67.1 | 0 | 0 | 0 | 113.4 | R661 H662 C666 I673 | R661-F668 VanDerWaalsContact CA-O 3.25Å; R661-F668 WeakPolarHBondContact CA-O 3.27Å; H662-F668 PolarHBondContact N-O 2.92Å; H662-F668 VanDerWaalsContact N-O 3.17Å; H662-F668 WeakPolarHBondContact O-CA 3.36Å; H662-F668 WeakPolarHBondContact O-CB 3.4Å; H662-F668 WeakPolarHBondContact O-CD2 3.03Å; H662-F668 PolarHBondContact O-N 2.73Å; C666-F668 VanDerWaalsContact C-N 3.27Å; C666-F668 PolarHBondContact O-N 3.19Å; C666-F668 VanDerWaalsContact O-N 3.13Å; F668-I673 HydrophobicContact CD1-CD1 4.03Å; F668-I673 HydrophobicContact CE1-CD1 4.29Å |
| 669 | T | 50.7 | Low | 49.6 | Very low | 51 Ų | 51 | 93.1 Ų | 93.1 | 31% | 0.313 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 143.7 | 168.7 | 55.8 | 0 | 0 | 0 | 0 | 111 | K671 Q672 | T669-K671 PolarHBondContact O-N 3.32Å; T669-Q672 PolarHBondContact OG1-N 3.46Å |
| 670 | S | 44.6 | Very low | 47.6 | Very low | 73 Ų | 73 | 91.1 Ų | 91.1 | 51% | 0.51 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | 12.5 | 175.4 | 77.6 | 0 | 0 | 0 | 0 | 114 | G660 H662 | G660-S670 VanDerWaalsContact CA-OG 3.3Å; G660-S670 WeakPolarHBondContact CA-OG 3.24Å; G660-S670 PolarHBondContact O-N 3.39Å; G660-S670 PolarHBondContact O-OG 2.92Å; H662-S670 WeakPolarHBondContact NE2-CA 3.35Å; H662-S670 WeakPolarHBondContact NE2-CB 3.34Å; H662-S670 PolarHBondContact NE2-N 2.96Å |
| 671 | K | 34.8 | Very low | 46.1 | Very low | 190 Ų | 190 | 97.5 Ų | 97.5 | 83% | 0.826 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144 | 16.7 | -178 | -78.4 | -162.7 | 175.5 | 179.7 | 0 | 115.5 | T669 | T669-K671 PolarHBondContact O-N 3.32Š|
| 672 | Q | 32.9 | Very low | 43.7 | Very low | 144 Ų | 144 | 99.8 Ų | 99.8 | 67% | 0.673 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -153.6 | 48.2 | 170.4 | -127.5 | 164.1 | 20.1 | 0 | 0 | 119.5 | T669 | T669-Q672 PolarHBondContact OG1-N 3.46Š|
| 673 | I | 29.3 | Very low | 41.5 | Very low | 121 Ų | 121 | 97 Ų | 97 | 62% | 0.621 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -127 | 75.1 | 145.6 | -54.1 | -177 | 0 | 0 | 0 | 109.3 | F668 | F668-I673 HydrophobicContact CD1-CD1 4.03Å; F668-I673 HydrophobicContact CE1-CD1 4.29Å |
| 674 | C | 24.8 | Very low | 39.5 | Very low | 90 Ų | 90 | 101.2 Ų | 101.2 | 61% | 0.608 | 55% | 0.55 | S | S | * | * | trans | -156.1 | 49 | 169.1 | -102.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 675 | T | 25.8 | Very low | 37.4 | Very low | 112 Ų | 112 | 99.8 Ų | 99.8 | 69% | 0.687 | 55% | 0.55 | S | S | * | . | trans | -130.7 | 45.9 | 177 | 53.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 676 | N | 24.8 | Very low | 34.7 | Very low | 158 Ų | 158 | 106.8 Ų | 106.8 | 85% | 0.845 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -148.5 | 123.9 | 143.2 | -101.2 | -32.6 | 0 | 0 | 0 | 107.3 | ||
| 677 | Q | 28.2 | Very low | 31.9 | Very low | 120 Ų | 120 | 112.1 Ų | 112.1 | 56% | 0.561 | 60% | 0.602 | S | S | * | * | S | Bend | trans | 50.5 | 77 | -169.8 | -67.8 | -170.4 | -47.2 | 0 | 0 | 115.4 | M1050 D1051 | Q677-M1050 PolarHBondContact NE2-O 2.76Å; Q677-M1050 VanDerWaalsContact OE1-C 3.28Å; Q677-M1050 PolarHBondContact OE1-O 3.21Å; Q677-D1051 PolarHBondContact NE2-O 3.43Å |
| 678 | S | 24.9 | Very low | 29.2 | Very low | 90 Ų | 90 | 113 Ų | 113 | 63% | 0.629 | 61% | 0.614 | S | S | * | * | trans | -30.5 | 133 | 151.1 | 50.7 | 0 | 0 | 0 | 0 | 113.5 | S680 | S678-S680 PolarHBondContact O-N 3.11Š| ||
| 679 | C | 22.2 | Very low | 27.3 | Very low | 102 Ų | 102 | 111.8 Ų | 111.8 | 69% | 0.689 | 61% | 0.613 | S | S | * | * | 46.1 | 64.5 | 71.2 | -64.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 680 | S | 23.6 | Very low | 26.1 | Very low | 117 Ų | 117 | 111.5 Ų | 111.5 | 82% | 0.818 | 61% | 0.611 | S | S | * | * | trans | -71.3 | 126.4 | 162.7 | -174.5 | 0 | 0 | 0 | 0 | 109 | S678 | S678-S680 PolarHBondContact O-N 3.11Š| ||
| 681 | E | 24.6 | Very low | 25.2 | Very low | 160 Ų | 160 | 110 Ų | 110 | 75% | 0.748 | 60% | 0.598 | S | S | * | * | trans | -64.2 | 153 | 168.3 | -60.4 | -171 | 140 | 0 | 0 | 110.7 | ||||
| 682 | N | 24.2 | Very low | 24.8 | Very low | 115 Ų | 115 | 104 Ų | 104 | 62% | 0.615 | 57% | 0.574 | S | S | * | * | trans | 65.1 | 115.3 | 154.2 | -68.9 | -41 | 0 | 0 | 0 | 115.6 | ||||
| 683 | V | 26.2 | Very low | 24.4 | Very low | 30 Ų | 30 | 99.7 Ų | 99.7 | 18% | 0.182 | 56% | 0.559 | C | S | . | * | cis | -158.3 | 140.9 | 34.1 | 166.5 | 0 | 0 | 0 | 0 | 116.3 | S1773 L1774 | V683-S1773 VanDerWaalsContact CG1-CA 3.49Å; V683-S1773 WeakPolarHBondContact CG2-OG 3.26Å; V683-L1774 HydrophobicContact CB-CB 4.43Å; V683-L1774 HydrophobicContact CG1-CB 3.72Å; V683-L1774 HydrophobicContact CG1-CD1 3.57Å; V683-L1774 HydrophobicContact CG1-CG 4.19Å; V683-L1774 HydrophobicContact CG2-CB 3.82Å; V683-L1774 HydrophobicContact CG2-CD1 4.49Å; V683-L1774 HydrophobicContact CG2-CD2 4.39Å; V683-L1774 HydrophobicContact CG2-CG 4.44Å | ||
| 684 | N | 23.7 | Very low | 24.3 | Very low | 121 Ų | 121 | 96.3 Ų | 96.3 | 65% | 0.647 | 54% | 0.543 | S | S | * | . | trans | -58.7 | 155.6 | 163.2 | -55.9 | -62.5 | 0 | 0 | 0 | 117.4 | ||||
| 685 | V | 23.2 | Very low | 24.3 | Very low | 116 Ų | 116 | 98.6 Ų | 98.6 | 70% | 0.703 | 55% | 0.549 | S | S | * | . | -179 | 118.1 | 106.9 | 152.5 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 686 | R | 21.7 | Very low | 24.2 | Very low | 188 Ų | 188 | 97 Ų | 97 | 71% | 0.709 | 55% | 0.554 | S | S | * | * | trans | 65.5 | 139 | 163.3 | -75.4 | 178.7 | -173.6 | -176.7 | 3.5 | 120.4 | ||||
| 687 | N | 21.6 | Very low | 24.3 | Very low | 111 Ų | 111 | 93.4 Ų | 93.4 | 59% | 0.594 | 56% | 0.555 | S | S | * | * | trans | 58.1 | 126.9 | 167.2 | -61 | 37.6 | 0 | 0 | 0 | 116.2 | ||||
| 688 | C | 20.2 | Very low | 24.2 | Very low | 85 Ų | 85 | 93.3 Ų | 93.3 | 57% | 0.574 | 57% | 0.567 | S | S | * | * | cis | -154.5 | -164.7 | -9.5 | -111.6 | 0 | 0 | 0 | 0 | 109.6 | L1881 | C688-L1881 HydrophobicContact CB-CB 4.21Å; C688-L1881 HydrophobicContact CB-CD1 3.45Å; C688-L1881 VanDerWaalsContact CB-CD1 3.45Å; C688-L1881 HydrophobicContact CB-CG 4.3Å | ||
| 689 | T | 21.9 | Very low | 24.2 | Very low | 53 Ų | 53 | 94.8 Ų | 94.8 | 33% | 0.325 | 58% | 0.576 | S | S | . | * | trans | -73.1 | -172.6 | -167.9 | 37.9 | 0 | 0 | 0 | 0 | 115.2 | L1881 E1882 | T689-L1881 VanDerWaalsContact CB-O 3.3Å; T689-L1881 WeakPolarHBondContact CB-O 3.21Å; T689-L1881 VanDerWaalsContact O-CD2 3.31Å; T689-L1881 WeakPolarHBondContact O-CD2 3.48Å; T689-L1881 VanDerWaalsContact OG1-CB 3.25Å; T689-L1881 WeakPolarHBondContact OG1-CB 3.38Å; T689-L1881 PolarHBondContact OG1-O 3.2Å; T689-E1882 WeakPolarHBondContact CB-OE1 3.42Å; T689-E1882 WeakPolarHBondContact CG2-OE1 3.48Å; T689-E1882 VanDerWaalsContact CG2-OE2 3.28Å; T689-E1882 WeakPolarHBondContact CG2-OE2 3.49Å | ||
| 690 | T | 24.7 | Very low | 24.2 | Very low | 45 Ų | 45 | 93.1 Ų | 93.1 | 28% | 0.276 | 56% | 0.56 | S | S | . | * | trans | 87.7 | 124.5 | -175.4 | 39.1 | 0 | 0 | 0 | 0 | 123.1 | L1880 L1881 M1883 | T690-L1880 HydrophobicContact CG2-CD2 4.49Å; T690-L1880 PolarHBondContact OG1-O 3.35Å; T690-L1881 WeakPolarHBondContact OG1-CA 3.03Å; T690-L1881 WeakPolarHBondContact OG1-CD2 3.4Å; T690-M1883 CarbonylContact C-O 3.35Å; T690-M1883 HydrophobicContact CG2-CG 3.75Å; T690-M1883 HydrophobicContact CG2-SD 3.74Å | ||
| 691 | N | 25.1 | Very low | 24.2 | Very low | 42 Ų | 42 | 91.8 Ų | 91.8 | 23% | 0.225 | 54% | 0.544 | C | S | . | . | trans | 175.6 | 21.5 | 176.7 | -159.4 | 32.8 | 0 | 0 | 0 | 121.6 | M1883 N1884 S1885 R1888 | N691-M1883 PolarHBondContact N-O 2.75Å; N691-M1883 VanDerWaalsContact N-O 3.13Å; N691-N1884 WeakPolarHBondContact CB-O 3.24Å; N691-N1884 PolarHBondContact ND2-O 3.45Å; N691-N1884 CarbonylContact O-C 3.53Å; N691-S1885 WeakPolarHBondContact ND2-CA 3.42Å; N691-S1885 CarbonylContact O-C 3.3Å; N691-S1885 WeakPolarHBondContact O-CA 3.35Å; N691-S1885 PolarHBondContact O-N 2.91Å; N691-R1888 WeakPolarHBondContact OD1-CD 3.05Å; N691-R1888 VanDerWaalsContact OD1-CZ 3.28Å; N691-R1888 PolarHBondContact OD1-NE 2.87Å | ||
| 692 | L | 26.7 | Very low | 24.2 | Very low | 64 Ų | 64 | 89.8 Ų | 89.8 | 34% | 0.335 | 53% | 0.533 | S | S | . | . | trans | -32.6 | 130.6 | -144.9 | -145.6 | 150.7 | 0 | 0 | 0 | 121.8 | L694 M1883 N1884 Y1886 E1887 | L692-L694 HydrophobicContact CD2-CD1 3.79Å; L692-L694 HydrophobicContact CD2-CG 3.84Å; L692-M1883 HydrophobicContact CB-CB 3.57Å; L692-M1883 HydrophobicContact CB-CG 3.97Å; L692-M1883 HydrophobicContact CB-SD 3.76Å; L692-M1883 HydrophobicContact CD1-CB 4.27Å; L692-M1883 HydrophobicContact CD1-CE 4.25Å; L692-M1883 HydrophobicContact CD1-CG 4.1Å; L692-M1883 HydrophobicContact CD1-SD 4.36Å; L692-M1883 HydrophobicContact CG-CB 3.93Å; L692-M1883 HydrophobicContact CG-CG 4.3Å; L692-N1884 VanDerWaalsContact CA-N 3.26Å; L692-Y1886 CarbonylContact O-C 3.53Å; L692-Y1886 VanDerWaalsContact O-CA 3.31Å; L692-Y1886 WeakPolarHBondContact O-CA 3.42Å; L692-Y1886 WeakPolarHBondContact O-CB 3.46Å; L692-Y1886 PolarHBondContact O-N 2.87Å; L692-E1887 HydrophobicContact CB-CG 3.79Å; L692-E1887 WeakPolarHBondContact CB-OE1 3.15Å; L692-E1887 VanDerWaalsContact CB-OE2 3.27Å; L692-E1887 WeakPolarHBondContact CB-OE2 3.17Å; L692-E1887 PolarHBondContact N-OE2 3.31Å; L692-E1887 PolarHBondContact O-N 3.47Å | ||
| 693 | C | 25.5 | Very low | 24.2 | Very low | 53 Ų | 53 | 90.7 Ų | 90.7 | 36% | 0.358 | 53% | 0.528 | S | S | . | . | trans | -109.6 | 104.9 | 174.4 | -137 | 0 | 0 | 0 | 0 | 114.9 | N1884 S1885 Y1886 | C693-N1884 HydrophobicContact CB-CB 3.67Å; C693-N1884 WeakPolarHBondContact CB-OD1 3.34Å; C693-S1885 WeakPolarHBondContact CB-OG 3.42Å; C693-S1885 VanDerWaalsContact SG-C 3.52Å; C693-S1885 PolarHBondContact SG-OG 2.85Å; C693-Y1886 VanDerWaalsContact CA-CB 3.48Å; C693-Y1886 VanDerWaalsContact SG-CB 3.6Å; C693-Y1886 PolarHBondContact SG-N 2.94Å | ||
| 694 | L | 25.8 | Very low | 23.9 | Very low | 51 Ų | 51 | 91.9 Ų | 91.9 | 27% | 0.267 | 54% | 0.536 | S | S | . | . | trans | -77.6 | 159 | 169.2 | -61.2 | 101.3 | 0 | 0 | 0 | 110.5 | L692 Y1886 | L692-L694 HydrophobicContact CD2-CD1 3.79Å; L692-L694 HydrophobicContact CD2-CG 3.84Å; L694-Y1886 HydrophobicContact CB-CD1 3.93Å; L694-Y1886 HydrophobicContact CB-CD2 4.2Å; L694-Y1886 HydrophobicContact CB-CE1 3.91Å; L694-Y1886 HydrophobicContact CB-CE2 4.21Å; L694-Y1886 HydrophobicContact CB-CG 4.05Å; L694-Y1886 HydrophobicContact CD1-CD1 3.47Å; L694-Y1886 VanDerWaalsContact CD1-CD1 3.47Å; L694-Y1886 HydrophobicContact CD1-CE1 3.88Å; L694-Y1886 HydrophobicContact CD1-CG 4.1Å; L694-Y1886 HydrophobicContact CG-CD1 4.3Å; L694-Y1886 HydrophobicContact CG-CE1 4.41Å; L694-Y1886 VanDerWaalsContact O-CD2 3.24Å; L694-Y1886 WeakPolarHBondContact O-CD2 3.35Å | ||
| 695 | N | 24.9 | Very low | 23.9 | Very low | 138 Ų | 138 | 89.2 Ų | 89.2 | 74% | 0.738 | 52% | 0.524 | S | S | * | . | cis | -151.6 | 151 | 13.8 | -134.2 | -5.2 | 0 | 0 | 0 | 111.4 | ||||
| 696 | G | 25.6 | Very low | 23.8 | Very low | 78 Ų | 78 | 88.5 Ų | 88.5 | 80% | 0.804 | 52% | 0.516 | S | S | * | . | S | Bend | trans | 94.9 | 108.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 697 | G | 25 | Very low | 23.7 | Very low | 83 Ų | 83 | 86.1 Ų | 86.1 | 86% | 0.856 | 52% | 0.517 | S | S | * | . | trans | 101.6 | 89.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 698 | S | 27.1 | Very low | 23.7 | Very low | 117 Ų | 117 | 85.2 Ų | 85.2 | 82% | 0.818 | 52% | 0.52 | S | S | * | . | trans | -110.5 | 120.9 | 160.5 | -77.2 | 0 | 0 | 0 | 0 | 109 | I700 | S698-I700 PolarHBondContact O-N 3.37Š| ||
| 699 | C | 23.9 | Very low | 23.8 | Very low | 121 Ų | 121 | 85.7 Ų | 85.7 | 82% | 0.818 | 52% | 0.524 | S | S | * | . | trans | -73.8 | 113.4 | 158.5 | -62.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 700 | I | 24 | Very low | 23.8 | Very low | 67 Ų | 67 | 88.1 Ų | 88.1 | 34% | 0.344 | 54% | 0.539 | S | S | . | . | trans | 31.5 | 128.9 | 134.6 | -50.1 | 144.4 | 0 | 0 | 0 | 117.1 | E142 D143 E144 S698 | E142-I700 WeakPolarHBondContact O-CD1 3.04Å; D143-I700 HydrophobicContact CB-CG1 4.38Å; D143-I700 WeakPolarHBondContact OD1-CD1 3.42Å; E144-I700 HydrophobicContact CB-CG2 3.88Å; S698-I700 PolarHBondContact O-N 3.37Å | ||
| 701 | N | 23.6 | Very low | 23.8 | Very low | 90 Ų | 90 | 92.9 Ų | 92.9 | 48% | 0.481 | 55% | 0.552 | S | S | . | * | trans | -63.6 | 174.5 | 175.1 | -89.1 | -40.9 | 0 | 0 | 0 | 113.8 | ||||
| 702 | F | 22.8 | Very low | 23.7 | Very low | 118 Ų | 118 | 97.8 Ų | 97.8 | 52% | 0.518 | 58% | 0.583 | S | S | . | * | -151.6 | 124.9 | 119.7 | -99.9 | -53 | 0 | 0 | 0 | 111.3 | E144 I163 | E144-F702 WeakPolarHBondContact OE1-CE1 3.2Å; I163-F702 HydrophobicContact CD1-CE1 4.47Å | |||
| 703 | Y | 24.3 | Very low | 23.5 | Very low | 133 Ų | 133 | 99.7 Ų | 99.7 | 52% | 0.522 | 59% | 0.594 | S | S | . | * | trans | 58.3 | 80.8 | 165.9 | -60.2 | -61.8 | 0 | 0 | 0 | 119 | ||||
| 704 | T | 21.3 | Very low | 23.3 | Very low | 56 Ų | 56 | 103.4 Ų | 103.4 | 34% | 0.344 | 61% | 0.61 | S | S | . | * | 40.3 | 144.2 | 110.3 | 62.3 | 0 | 0 | 0 | 0 | 122.1 | E160 D161 | E160-T704 HydrophobicContact CG-CG2 4.14Å; E160-T704 PolarHBondContact OE1-OG1 3.26Å; D161-T704 HydrophobicContact CB-CG2 4.4Å | |||
| 705 | T | 22 | Very low | 23.4 | Very low | 64 Ų | 64 | 107.4 Ų | 107.4 | 39% | 0.393 | 63% | 0.627 | S | S | . | * | trans | 71.8 | 94.3 | 148.1 | 50.1 | 0 | 0 | 0 | 0 | 120.8 | E160 | E160-T705 HydrophobicContact CG-CG2 4.17Å; E160-T705 PolarHBondContact OE1-OG1 3.12Å | ||
| 706 | D | 21.4 | Very low | 23.4 | Very low | 102 Ų | 102 | 105.4 Ų | 105.4 | 55% | 0.545 | 62% | 0.617 | S | S | . | * | 74.4 | 132.2 | 120.3 | -52.6 | -13.5 | 0 | 0 | 0 | 119.9 | Q158 | Q158-D706 PolarHBondContact NE2-OD1 3.07Å; Q158-D706 PolarHBondContact NE2-OD2 2.93Å | |||
| 707 | N | 21.1 | Very low | 23.5 | Very low | 137 Ų | 137 | 109.9 Ų | 109.9 | 73% | 0.733 | 61% | 0.614 | S | S | * | * | cis | -169.6 | 150.1 | 41 | -139 | -48.2 | 0 | 0 | 0 | 112.1 | ||||
| 708 | S | 21.1 | Very low | 23.4 | Very low | 92 Ų | 92 | 115 Ų | 115 | 64% | 0.643 | 61% | 0.609 | S | S | * | * | trans | 60.5 | 131.5 | 150.7 | 75.8 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 709 | S | 22 | Very low | 23.3 | Very low | 96 Ų | 96 | 116.1 Ų | 116.1 | 67% | 0.671 | 61% | 0.605 | S | S | * | * | trans | 74.6 | 154.6 | 130.4 | 82.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 710 | V | 22.9 | Very low | 23.2 | Very low | 103 Ų | 103 | 117 Ų | 117 | 62% | 0.624 | 60% | 0.597 | S | S | * | * | trans | -95 | 102 | -177.9 | 177.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 711 | R | 23 | Very low | 23.2 | Very low | 146 Ų | 146 | 119.9 Ų | 119.9 | 55% | 0.551 | 61% | 0.611 | S | S | * | * | 46.6 | 107 | 126.7 | -170.9 | -167.3 | -166 | -65.5 | -17.8 | 118.6 | D713 | R711-D713 IonicContact CZ-OD1 2.7Å; R711-D713 IonicContact CZ-OD2 2.93Å; R711-D713 IonicContact NH1-OD1 2.72Å; R711-D713 IonicContact NH1-OD2 2.64Å; R711-D713 PolarHBondContact NH1-OD2 3.47Å; R711-D713 IonicContact NH2-OD1 2.7Å; R711-D713 PolarHBondContact NH2-OD1 3.29Å; R711-D713 IonicContact NH2-OD2 2.94Å | |||
| 712 | T | 22.8 | Very low | 23.3 | Very low | 144 Ų | 144 | 118.5 Ų | 118.5 | 88% | 0.883 | 61% | 0.607 | S | S | * | * | trans | -128.6 | 159.9 | 150.8 | 52.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 713 | D | 23.3 | Very low | 23.3 | Very low | 105 Ų | 105 | 117.7 Ų | 117.7 | 56% | 0.561 | 61% | 0.605 | S | S | * | * | trans | -106.6 | 155.6 | -163.4 | -66.5 | -68.9 | 0 | 0 | 0 | 114.4 | R711 | R711-D713 IonicContact CZ-OD1 2.7Å; R711-D713 IonicContact CZ-OD2 2.93Å; R711-D713 IonicContact NH1-OD1 2.72Å; R711-D713 IonicContact NH1-OD2 2.64Å; R711-D713 PolarHBondContact NH1-OD2 3.47Å; R711-D713 IonicContact NH2-OD1 2.7Å; R711-D713 PolarHBondContact NH2-OD1 3.29Å; R711-D713 IonicContact NH2-OD2 2.94Å | ||
| 714 | N | 22.4 | Very low | 23.2 | Very low | 130 Ų | 130 | 115.7 Ų | 115.7 | 70% | 0.695 | 60% | 0.6 | S | S | * | * | trans | 72.7 | 110.3 | 164.2 | -51.1 | -61.6 | 0 | 0 | 0 | 118.8 | ||||
| 715 | H | 27.9 | Very low | 23.3 | Very low | 135 Ų | 135 | 119.1 Ų | 119.1 | 63% | 0.625 | 62% | 0.617 | S | S | * | * | -164.9 | 166.2 | 74.9 | -99.3 | -77 | 0 | 0 | 0 | 113.1 | N2639 Q2641 | H715-N2639 PolarHBondContact O-OD1 3.19Å; H715-Q2641 PolarHBondContact O-NE2 3.47Å; H715-Q2641 PolarHBondContact O-OE1 2.9Å | |||
| 716 | N | 24.7 | Very low | 23.3 | Very low | 97 Ų | 97 | 122.2 Ų | 122.2 | 52% | 0.519 | 63% | 0.631 | S | S | . | * | trans | -105.2 | 148.4 | -172 | -37.8 | -78.1 | 0 | 0 | 0 | 114.1 | ||||
| 717 | K | 25.9 | Very low | 23.4 | Very low | 172 Ų | 172 | 124.2 Ų | 124.2 | 75% | 0.748 | 64% | 0.641 | S | S | * | * | -173.9 | 107.6 | 113.1 | -108.5 | 172.9 | 175.4 | 179.7 | 0 | 118.5 | |||||
| 718 | Y | 23.2 | Very low | 23.6 | Very low | 190 Ų | 190 | 125.9 Ų | 125.9 | 75% | 0.745 | 65% | 0.649 | S | S | * | * | trans | 42.7 | 108.5 | 136.3 | -71.6 | -104.8 | 0 | 0 | 0 | 120.9 | ||||
| 719 | L | 25.2 | Very low | 23.7 | Very low | 140 Ų | 140 | 129.3 Ų | 129.3 | 73% | 0.733 | 66% | 0.655 | S | S | * | * | -135.7 | 132.7 | 124.6 | -153.7 | 76.6 | 0 | 0 | 0 | 111.5 | |||||
| 720 | H | 22.8 | Very low | 23.8 | Very low | 141 Ų | 141 | 128.6 Ų | 128.6 | 65% | 0.653 | 65% | 0.65 | S | S | * | * | trans | -43.1 | 155.8 | 174 | -70.2 | -87.2 | 0 | 0 | 0 | 116.2 | ||||
| 721 | I | 22.5 | Very low | 23.8 | Very low | 126 Ų | 126 | 132.8 Ų | 132.8 | 65% | 0.646 | 66% | 0.662 | S | S | * | * | cis | -150.2 | 157.4 | 17 | -122.7 | 148.3 | 0 | 0 | 0 | 111.4 | ||||
| 722 | P | 25.6 | Very low | 23.9 | Very low | 61 Ų | 61 | 132.9 Ų | 132.9 | 40% | 0.396 | 67% | 0.673 | S | S | . | * | trans | -100.3 | -164.6 | -149.8 | -0.5 | 24.9 | 0 | 0 | 0 | 117.5 | Y2644 R2646 | P722-Y2644 VanDerWaalsContact CA-CZ 3.49Å; P722-Y2644 WeakPolarHBondContact CA-OH 3.31Å; P722-Y2644 HydrophobicContact CB-CE1 3.8Å; P722-R2646 VanDerWaalsContact C-NH2 3.33Å; P722-R2646 PolarHBondContact O-NH2 2.7Å | ||
| 723 | E | 24.3 | Very low | 23.9 | Very low | 101 Ų | 101 | 131.1 Ų | 131.1 | 47% | 0.472 | 66% | 0.664 | S | S | . | * | cis | -154.9 | 137.4 | 28.2 | -47.6 | 142.9 | 142.7 | 0 | 0 | 107.3 | R2646 | E723-R2646 WeakPolarHBondContact O-CD 3.15Å; E723-R2646 WeakPolarHBondContact O-CG 3.21Å; E723-R2646 PolarHBondContact O-NE 3.44Å; E723-R2646 VanDerWaalsContact O-NE 3.12Å; E723-R2646 PolarHBondContact O-NH1 3.26Å; E723-R2646 VanDerWaalsContact O-NH1 3.17Å; E723-R2646 IonicContact OE2-CZ 3.69Å; E723-R2646 VanDerWaalsContact OE2-CZ 3.27Å; E723-R2646 IonicContact OE2-NH1 2.68Å; E723-R2646 PolarHBondContact OE2-NH1 2.89Å; E723-R2646 IonicContact OE2-NH2 3.11Å; E723-R2646 PolarHBondContact OE2-NH2 3.46Å | ||
| 724 | Q | 21.5 | Very low | 24 | Very low | 91 Ų | 91 | 133.7 Ų | 133.7 | 43% | 0.425 | 67% | 0.673 | S | S | . | * | 43 | 127.5 | 77.9 | -76.2 | -157.2 | -58.5 | 0 | 0 | 117.7 | N726 Q2643 | Q724-N726 PolarHBondContact O-N 2.81Å; Q724-Q2643 VanDerWaalsContact CD-NE2 3.28Å; Q724-Q2643 HydrophobicContact CG-CG 4.47Å | |||
| 725 | N | 23.2 | Very low | 24 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 68% | 0.684 | 67% | 0.672 | S | S | * | * | trans | -58.4 | 117.3 | 155.2 | -110.8 | 1.5 | 0 | 0 | 0 | 109.7 | ||||
| 726 | N | 22.7 | Very low | 23.6 | Very low | 129 Ų | 129 | 130 Ų | 130 | 69% | 0.69 | 67% | 0.671 | S | S | * | * | trans | -142.2 | 123.2 | 160.6 | -109.1 | -0.2 | 0 | 0 | 0 | 105.8 | Q724 | Q724-N726 PolarHBondContact O-N 2.81Š| ||
| 727 | L | 23.7 | Very low | 23.7 | Very low | 144 Ų | 144 | 131.1 Ų | 131.1 | 75% | 0.754 | 69% | 0.685 | S | S | * | * | cis | -141.1 | 167.5 | -13.9 | -66 | 95.4 | 0 | 0 | 0 | 107.5 | ||||
| 728 | L | 25 | Very low | 23.8 | Very low | 172 Ų | 172 | 127.6 Ų | 127.6 | 90% | 0.901 | 68% | 0.68 | S | S | * | * | trans | -106.9 | 123.6 | 141.4 | -112.8 | 89.2 | 0 | 0 | 0 | 108.1 | ||||
| 729 | E | 23.1 | Very low | 23.9 | Very low | 165 Ų | 165 | 128 Ų | 128 | 77% | 0.771 | 69% | 0.686 | S | S | * | * | -169 | 142.3 | 122.3 | -108.6 | 175.8 | -171 | 0 | 0 | 113.2 | |||||
| 730 | S | 23.2 | Very low | 23.8 | Very low | 81 Ų | 81 | 125.3 Ų | 125.3 | 57% | 0.566 | 69% | 0.691 | S | S | * | * | trans | 61.5 | 100.1 | 163.6 | 59.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 731 | Q | 23.5 | Very low | 23.7 | Very low | 191 Ų | 191 | 123.7 Ų | 123.7 | 89% | 0.893 | 68% | 0.68 | S | S | * | * | trans | 43.9 | 109 | 136.3 | -60.8 | -172 | -3.2 | 0 | 0 | 122.1 | ||||
| 732 | L | 26.2 | Very low | 23.8 | Very low | 147 Ų | 147 | 124.6 Ų | 124.6 | 77% | 0.77 | 69% | 0.685 | S | S | * | * | 35.1 | 132.7 | 127.2 | -79.9 | 166.2 | 0 | 0 | 0 | 120.3 | |||||
| 733 | P | 22.7 | Very low | 23.8 | Very low | 108 Ų | 108 | 123.2 Ų | 123.2 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | -137.5 | 166 | 90.6 | 40.5 | -32 | 0 | 0 | 0 | 115.7 | |||||
| 734 | H | 25.5 | Very low | 23.8 | Very low | 159 Ų | 159 | 128 Ų | 128 | 74% | 0.736 | 70% | 0.704 | S | S | * | * | trans | 67.5 | 121.2 | 168.6 | -68.5 | -66.3 | 0 | 0 | 0 | 119.6 | Y741 | H734-Y741 PolarHBondContact O-OH 3.41Š| ||
| 735 | C | 20.7 | Very low | 23.9 | Very low | 101 Ų | 101 | 131.6 Ų | 131.6 | 68% | 0.682 | 72% | 0.715 | S | S | * | * | trans | -45.5 | 134.9 | 164.8 | -40.8 | 0 | 0 | 0 | 0 | 114.1 | Y741 | C735-Y741 WeakPolarHBondContact CA-OH 3.48Š| ||
| 736 | S | 21.3 | Very low | 23.9 | Very low | 86 Ų | 86 | 129.3 Ų | 129.3 | 60% | 0.601 | 71% | 0.708 | S | S | * | * | -177.6 | 147 | 123.1 | -79.3 | 0 | 0 | 0 | 0 | 110 | Y741 | S736-Y741 PolarHBondContact N-OH 2.94Å; S736-Y741 WeakPolarHBondContact O-CE2 3.43Å; S736-Y741 PolarHBondContact O-OH 2.76Å | |||
| 737 | C | 26.1 | Very low | 24.5 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 81% | 0.811 | 72% | 0.718 | S | S | * | * | trans | -49.7 | 133.1 | 158.1 | -43.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 738 | P | 28.7 | Very low | 24.5 | Very low | 99 Ų | 99 | 130.3 Ų | 130.3 | 64% | 0.643 | 71% | 0.707 | S | S | * | * | S | Bend | cis | -117.2 | -169.3 | 37.3 | 37.9 | -25.7 | 0 | 0 | 0 | 114.4 | ||
| 739 | F | 23.5 | Very low | 24.4 | Very low | 199 Ų | 199 | 129.7 Ų | 129.7 | 87% | 0.873 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 63.7 | 178.3 | -172.4 | -67.5 | -89.5 | 0 | 0 | 0 | 113.7 | Y741 | F739-Y741 PolarHBondContact O-N 3.01Š|
| 740 | G | 24.7 | Very low | 24.4 | Very low | 82 Ų | 82 | 129.1 Ų | 129.1 | 85% | 0.845 | 70% | 0.701 | S | S | * | * | trans | -63.9 | 118.4 | -164.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 741 | Y | 21 | Very low | 24.3 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 42% | 0.42 | 71% | 0.708 | S | S | . | * | trans | -118.9 | 111.1 | 171.6 | -95.4 | -94.5 | 0 | 0 | 0 | 109.9 | H734 C735 S736 F739 G743 | H734-Y741 PolarHBondContact O-OH 3.41Å; C735-Y741 WeakPolarHBondContact CA-OH 3.48Å; S736-Y741 PolarHBondContact N-OH 2.94Å; S736-Y741 WeakPolarHBondContact O-CE2 3.43Å; S736-Y741 PolarHBondContact O-OH 2.76Å; F739-Y741 PolarHBondContact O-N 3.01Å; Y741-G743 VanDerWaalsContact CD1-O 3.28Å; Y741-G743 WeakPolarHBondContact CD1-O 3.21Å | ||
| 742 | I | 23 | Very low | 24.3 | Very low | 145 Ų | 145 | 131.3 Ų | 131.3 | 74% | 0.744 | 70% | 0.704 | S | S | * | * | trans | -85.6 | 103.7 | 158 | -71.5 | 175.3 | 0 | 0 | 0 | 105 | Y745 | I742-Y745 HydrophobicContact CB-CE2 4.32Å; I742-Y745 HydrophobicContact CG2-CD2 4.05Å; I742-Y745 HydrophobicContact CG2-CE1 4.19Å; I742-Y745 HydrophobicContact CG2-CE2 3.7Å; I742-Y745 HydrophobicContact CG2-CG 4.45Å | ||
| 743 | G | 26.3 | Very low | 24 | Very low | 33 Ų | 33 | 128.1 Ų | 128.1 | 34% | 0.34 | 69% | 0.693 | S | S | . | * | trans | 107.9 | 100 | -163.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y741 | Y741-G743 VanDerWaalsContact CD1-O 3.28Å; Y741-G743 WeakPolarHBondContact CD1-O 3.21Å | ||
| 744 | E | 24.3 | Very low | 24.1 | Very low | 201 Ų | 201 | 130.9 Ų | 130.9 | 94% | 0.939 | 70% | 0.697 | S | S | * | * | S | Bend | cis | -58.2 | 120.4 | 22 | -64.1 | -178.1 | 158.4 | 0 | 0 | 115.1 | ||
| 745 | Y | 24.3 | Very low | 24.4 | Very low | 166 Ų | 166 | 129.5 Ų | 129.5 | 65% | 0.651 | 69% | 0.694 | S | S | * | * | trans | -149.6 | 159.7 | -178.7 | -112.9 | -122.6 | 0 | 0 | 0 | 105 | I742 Q747 | I742-Y745 HydrophobicContact CB-CE2 4.32Å; I742-Y745 HydrophobicContact CG2-CD2 4.05Å; I742-Y745 HydrophobicContact CG2-CE1 4.19Å; I742-Y745 HydrophobicContact CG2-CE2 3.7Å; I742-Y745 HydrophobicContact CG2-CG 4.45Å; Y745-Q747 PolarHBondContact O-N 3.19Å | ||
| 746 | C | 22.5 | Very low | 24.5 | Very low | 81 Ų | 81 | 129.6 Ų | 129.6 | 55% | 0.547 | 68% | 0.683 | S | S | . | * | trans | 63.4 | 40.9 | 157.1 | -58.8 | 0 | 0 | 0 | 0 | 118.3 | I748 | C746-I748 HydrophobicContact CB-CB 4.3Å; C746-I748 HydrophobicContact CB-CD1 3.67Å; C746-I748 HydrophobicContact CB-CG1 3.95Å; C746-I748 VanDerWaalsContact SG-CD1 3.52Å | ||
| 747 | Q | 34.6 | Very low | 24.8 | Very low | 191 Ų | 191 | 131.2 Ų | 131.2 | 89% | 0.893 | 68% | 0.681 | S | S | * | * | -105 | 96.5 | 107 | -71.7 | -174.7 | -29.3 | 0 | 0 | 105.1 | Y745 | Y745-Q747 PolarHBondContact O-N 3.19Š| |||
| 748 | I | 25 | Very low | 24.9 | Very low | 103 Ų | 103 | 136 Ų | 136 | 53% | 0.528 | 68% | 0.684 | S | S | . | * | cis | 55.5 | 119 | 36.9 | -87.6 | -174.3 | 0 | 0 | 0 | 110.8 | C746 | C746-I748 HydrophobicContact CB-CB 4.3Å; C746-I748 HydrophobicContact CB-CD1 3.67Å; C746-I748 HydrophobicContact CB-CG1 3.95Å; C746-I748 VanDerWaalsContact SG-CD1 3.52Å | ||
| 749 | E | 21.7 | Very low | 24.7 | Very low | 159 Ų | 159 | 133.8 Ų | 133.8 | 74% | 0.743 | 67% | 0.666 | S | S | * | * | cis | -162.6 | 143.9 | -11 | -135.7 | 155.5 | -148.1 | 0 | 0 | 107.3 | ||||
| 750 | L | 24.7 | Very low | 24.7 | Very low | 153 Ų | 153 | 130.6 Ų | 130.6 | 80% | 0.801 | 65% | 0.651 | S | S | * | * | trans | 155.8 | 107.8 | 159.5 | -88.5 | 158.4 | 0 | 0 | 0 | 110.4 | ||||
| 751 | D | 21.1 | Very low | 24.9 | Very low | 131 Ų | 131 | 134.7 Ų | 134.7 | 70% | 0.701 | 65% | 0.648 | S | S | * | * | 52 | 140.6 | 110.1 | -77.2 | -18.6 | 0 | 0 | 0 | 123.6 | |||||
| 752 | F | 22.2 | Very low | 25.1 | Very low | 187 Ų | 187 | 138.9 Ų | 138.9 | 82% | 0.82 | 67% | 0.665 | S | S | * | * | trans | 74.1 | 118.3 | 153.3 | -84.2 | -121.1 | 0 | 0 | 0 | 120.5 | ||||
| 753 | C | 20.5 | Very low | 25 | Very low | 80 Ų | 80 | 138.6 Ų | 138.6 | 54% | 0.541 | 66% | 0.658 | S | S | . | * | trans | 57.7 | 86.4 | 147.2 | -61.5 | 0 | 0 | 0 | 0 | 119.7 | L755 | C753-L755 CarbonylContact C-O 3.59Å; C753-L755 HydrophobicContact CB-CB 4.35Å | ||
| 754 | Q | 25.1 | Very low | 24.9 | Very low | 166 Ų | 166 | 143.4 Ų | 143.4 | 78% | 0.776 | 68% | 0.676 | S | S | * | * | -123.6 | 54.6 | 121.4 | -72.6 | -162.8 | 3 | 0 | 0 | 110.1 | |||||
| 755 | L | 30.4 | Very low | 25 | Very low | 129 Ų | 129 | 143.7 Ų | 143.7 | 68% | 0.675 | 67% | 0.67 | S | S | * | * | S | Bend | -33.5 | 108.5 | 82.7 | -171.5 | 67.6 | 0 | 0 | 0 | 114.4 | C753 | C753-L755 CarbonylContact C-O 3.59Å; C753-L755 HydrophobicContact CB-CB 4.35Å | |
| 756 | F | 22.8 | Very low | 25 | Very low | 103 Ų | 103 | 144.2 Ų | 144.2 | 45% | 0.452 | 68% | 0.676 | S | S | . | * | trans | 67.2 | 91.9 | -179.2 | -69.6 | -45.3 | 0 | 0 | 0 | 118.3 | I759 | F756-I759 HydrophobicContact CB-CB 3.87Å; F756-I759 HydrophobicContact CD1-CB 3.68Å; F756-I759 HydrophobicContact CD1-CD1 4.19Å; F756-I759 HydrophobicContact CD1-CG1 3.66Å; F756-I759 HydrophobicContact CD2-CB 4.1Å; F756-I759 HydrophobicContact CD2-CD1 4.22Å; F756-I759 HydrophobicContact CD2-CG1 4.36Å; F756-I759 HydrophobicContact CE1-CB 4.17Å; F756-I759 HydrophobicContact CE1-CD1 3.78Å; F756-I759 HydrophobicContact CE1-CG1 3.62Å; F756-I759 HydrophobicContact CE2-CD1 3.81Å; F756-I759 HydrophobicContact CE2-CG1 4.33Å; F756-I759 HydrophobicContact CG-CB 3.64Å; F756-I759 HydrophobicContact CG-CD1 4.4Å; F756-I759 HydrophobicContact CG-CG1 4.05Å; F756-I759 HydrophobicContact CZ-CD1 3.57Å; F756-I759 HydrophobicContact CZ-CG1 3.96Å | ||
| 757 | H | 28 | Very low | 25.2 | Very low | 121 Ų | 121 | 149.8 Ų | 149.8 | 56% | 0.56 | 69% | 0.691 | S | S | * | * | S | Bend | -116.1 | 24.7 | 113.6 | -154.1 | -59.8 | 0 | 0 | 0 | 113.1 | K760 | H757-K760 VanDerWaalsContact NE2-CB 3.29Å; H757-K760 WeakPolarHBondContact NE2-CB 3.28Å | |
| 758 | Y | 27.7 | Very low | 24.5 | Very low | 221 Ų | 221 | 149.4 Ų | 149.4 | 87% | 0.867 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -68.8 | -20.8 | 143.9 | -151.4 | -104.6 | 0 | 0 | 0 | 110.2 | ||
| 759 | I | 25.3 | Very low | 24.7 | Very low | 52 Ų | 52 | 149.9 Ų | 149.9 | 27% | 0.267 | 70% | 0.699 | S | S | . | * | trans | -124.5 | 95.6 | 161 | -63.9 | -178.6 | 0 | 0 | 0 | 110.4 | F756 Y762 F763 | F756-I759 HydrophobicContact CB-CB 3.87Å; F756-I759 HydrophobicContact CD1-CB 3.68Å; F756-I759 HydrophobicContact CD1-CD1 4.19Å; F756-I759 HydrophobicContact CD1-CG1 3.66Å; F756-I759 HydrophobicContact CD2-CB 4.1Å; F756-I759 HydrophobicContact CD2-CD1 4.22Å; F756-I759 HydrophobicContact CD2-CG1 4.36Å; F756-I759 HydrophobicContact CE1-CB 4.17Å; F756-I759 HydrophobicContact CE1-CD1 3.78Å; F756-I759 HydrophobicContact CE1-CG1 3.62Å; F756-I759 HydrophobicContact CE2-CD1 3.81Å; F756-I759 HydrophobicContact CE2-CG1 4.33Å; F756-I759 HydrophobicContact CG-CB 3.64Å; F756-I759 HydrophobicContact CG-CD1 4.4Å; F756-I759 HydrophobicContact CG-CG1 4.05Å; F756-I759 HydrophobicContact CZ-CD1 3.57Å; F756-I759 HydrophobicContact CZ-CG1 3.96Å; I759-Y762 WeakPolarHBondContact CG2-O 3.38Å; I759-F763 HydrophobicContact CG2-CD2 4.32Å | ||
| 760 | K | 23.6 | Very low | 24.9 | Very low | 131 Ų | 131 | 151.9 Ų | 151.9 | 57% | 0.57 | 71% | 0.708 | S | S | * | * | S | Bend | -133.1 | 30.4 | 120.4 | -142.3 | 167.8 | -176.3 | 159.1 | 0 | 113.2 | H757 F763 | H757-K760 VanDerWaalsContact NE2-CB 3.29Å; H757-K760 WeakPolarHBondContact NE2-CB 3.28Å; K760-F763 HydrophobicContact CD-CB 4.42Å; K760-F763 WeakPolarHBondContact CE-O 3.36Å; K760-F763 HydrophobicContact CG-CB 3.87Å | |
| 761 | H | 29.7 | Very low | 24.8 | Very low | 169 Ų | 169 | 152.1 Ų | 152.1 | 78% | 0.782 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -87.3 | 9 | 148.8 | -153.5 | -69.6 | 0 | 0 | 0 | 112.1 | ||
| 762 | Y | 23.6 | Very low | 24.9 | Very low | 194 Ų | 194 | 153 Ų | 153 | 76% | 0.761 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -151.3 | 47.7 | 166.8 | -110 | -68.2 | 0 | 0 | 0 | 114.1 | I759 | I759-Y762 WeakPolarHBondContact CG2-O 3.38Š|
| 763 | F | 22 | Very low | 24.9 | Very low | 140 Ų | 140 | 152.7 Ų | 152.7 | 61% | 0.614 | 71% | 0.71 | S | S | * | * | trans | -137.6 | 78.9 | 158.6 | -114.6 | -60.3 | 0 | 0 | 0 | 110.9 | I759 K760 | I759-F763 HydrophobicContact CG2-CD2 4.32Å; K760-F763 HydrophobicContact CD-CB 4.42Å; K760-F763 WeakPolarHBondContact CE-O 3.36Å; K760-F763 HydrophobicContact CG-CB 3.87Å | ||
| 764 | N | 22.8 | Very low | 25.1 | Very low | 134 Ų | 134 | 155.4 Ų | 155.4 | 72% | 0.717 | 72% | 0.719 | S | S | * | * | trans | -129.5 | 139.5 | 160.9 | -122.5 | -14.3 | 0 | 0 | 0 | 106.2 | ||||
| 765 | Y | 27.5 | Very low | 25.2 | Very low | 206 Ų | 206 | 158 Ų | 158 | 81% | 0.808 | 72% | 0.723 | S | S | * | * | trans | 68.7 | 96.8 | -156.7 | -60.1 | -85.4 | 0 | 0 | 0 | 112 | ||||
| 766 | F | 23.8 | Very low | 24.9 | Very low | 177 Ų | 177 | 157.9 Ų | 157.9 | 78% | 0.776 | 72% | 0.718 | S | S | * | * | cis | 80.4 | 130.1 | 44.8 | -77.5 | -86.3 | 0 | 0 | 0 | 116.1 | ||||
| 767 | K | 26.1 | Very low | 24.8 | Very low | 199 Ų | 199 | 160.7 Ų | 160.7 | 87% | 0.865 | 73% | 0.725 | S | S | * | * | trans | 80.8 | 92.5 | 161.1 | -71.3 | -166.6 | 168.9 | -162.9 | 0 | 120.3 | ||||
| 768 | Q | 21 | Very low | 25 | Very low | 182 Ų | 182 | 163.1 Ų | 163.1 | 85% | 0.85 | 73% | 0.734 | S | S | * | * | -57.9 | 176.6 | 126.5 | -70.5 | 173.6 | -25.8 | 0 | 0 | 112.1 | |||||
| 769 | P | 29.4 | Very low | 25.1 | Very low | 113 Ų | 113 | 156.4 Ų | 156.4 | 73% | 0.734 | 71% | 0.713 | S | S | * | * | cis | -131.1 | 169.9 | -36.2 | 35 | -19.9 | 0 | 0 | 0 | 112.6 | ||||
| 770 | E | 25.5 | Very low | 25 | Very low | 201 Ų | 201 | 155.4 Ų | 155.4 | 94% | 0.939 | 71% | 0.708 | S | S | * | * | trans | -158.4 | 156.2 | 146.9 | -119.9 | 159.9 | -147 | 0 | 0 | 109.2 | ||||
| 771 | E | 23.6 | Very low | 24.9 | Very low | 158 Ų | 158 | 151.5 Ų | 151.5 | 74% | 0.738 | 70% | 0.695 | S | S | * | * | trans | -99.3 | 146.1 | -159.8 | -66.3 | 177.6 | 123.4 | 0 | 0 | 115 | ||||
| 772 | I | 22.8 | Very low | 24.5 | Very low | 150 Ų | 150 | 147.9 Ų | 147.9 | 77% | 0.769 | 68% | 0.681 | S | S | * | * | trans | 16.9 | 113.1 | 136.7 | -41.9 | 172 | 0 | 0 | 0 | 117.1 | ||||
| 773 | E | 22.3 | Very low | 24.7 | Very low | 180 Ų | 180 | 141.3 Ų | 141.3 | 84% | 0.841 | 66% | 0.663 | S | S | * | * | -176.6 | 166.1 | 121.4 | -102.6 | -178.3 | 161.5 | 0 | 0 | 112.8 | |||||
| 774 | D | 25.3 | Very low | 24.8 | Very low | 138 Ų | 138 | 138.1 Ų | 138.1 | 74% | 0.738 | 66% | 0.658 | S | S | * | * | trans | 55 | 70.9 | 165.1 | -77.7 | 2.5 | 0 | 0 | 0 | 120.8 | ||||
| 775 | Y | 26.9 | Very low | 25.1 | Very low | 220 Ų | 220 | 138.9 Ų | 138.9 | 86% | 0.863 | 65% | 0.652 | S | S | * | * | -129.3 | 39.5 | 126.6 | -146.5 | -95.1 | 0 | 0 | 0 | 113.9 | |||||
| 776 | F | 22.8 | Very low | 25 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 56% | 0.557 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -86.2 | 153.3 | 150.3 | -110.5 | -80.3 | 0 | 0 | 0 | 109.3 | N1185 | F776-N1185 HydrophobicContact CE1-CB 3.99Š|
| 777 | R | 22.3 | Very low | 25.3 | Very low | 162 Ų | 162 | 131.6 Ų | 131.6 | 61% | 0.611 | 63% | 0.634 | S | S | * | * | trans | 65 | 71.2 | 167 | -61.3 | -178.1 | 171.7 | -128.8 | -9.7 | 118.3 | E1163 | R777-E1163 IonicContact CZ-OE1 3.06Å; R777-E1163 IonicContact CZ-OE2 3.15Å; R777-E1163 IonicContact NE-OE1 3.96Å; R777-E1163 IonicContact NH2-OE1 3.99Å; R777-E1163 PolarHBondContact NH2-OE1 2.78Å; R777-E1163 IonicContact NH2-OE2 2.88Å; R777-E1163 PolarHBondContact NH2-OE2 2.98Å | ||
| 778 | K | 31 | Very low | 25.6 | Very low | 171 Ų | 171 | 129 Ų | 129 | 74% | 0.743 | 63% | 0.629 | S | S | * | * | -135.3 | 96.9 | 123.8 | -102.4 | -174.4 | -178.6 | 174 | 0 | 110.9 | I799 | K778-I799 HydrophobicContact CB-CD1 4.25Å; K778-I799 HydrophobicContact CG-CD1 4.18Å | |||
| 779 | N | 29.9 | Very low | 26 | Very low | 80 Ų | 80 | 125.4 Ų | 125.4 | 43% | 0.428 | 62% | 0.616 | S | S | . | * | trans | -115.6 | 143 | 177.2 | -164.8 | 23.3 | 0 | 0 | 0 | 109.4 | I799 P1186 | N779-I799 WeakPolarHBondContact O-CD1 3.47Å; N779-I799 WeakPolarHBondContact O-CG1 3.18Å; N779-P1186 PolarHBondContact ND2-O 3.41Å | ||
| 780 | L | 23.4 | Very low | 26 | Very low | 31 Ų | 31 | 130.2 Ų | 130.2 | 16% | 0.162 | 62% | 0.619 | C | S | . | * | trans | 91.8 | 95 | 176.2 | -64.7 | 59.2 | 0 | 0 | 0 | 120.4 | S797 S798 I799 | L780-S797 WeakPolarHBondContact CD2-O 3.31Å; L780-S797 WeakPolarHBondContact CG-O 3.35Å; L780-S798 CarbonylContact O-C 3.42Å; L780-I799 HydrophobicContact CB-CG1 4.24Å; L780-I799 WeakPolarHBondContact O-CB 3.45Å; L780-I799 WeakPolarHBondContact O-CG1 3.34Å; L780-I799 PolarHBondContact O-N 2.92Å | ||
| 781 | T | 21.3 | Very low | 26.3 | Very low | 50 Ų | 50 | 124.8 Ų | 124.8 | 31% | 0.307 | 60% | 0.596 | S | S | . | * | trans | 62.7 | 172.1 | 132.4 | 76.7 | 0 | 0 | 0 | 0 | 124.4 | L796 S797 S798 | T781-L796 HydrophobicContact CG2-CB 4.46Å; T781-S797 VanDerWaalsContact CG2-O 3.27Å; T781-S797 WeakPolarHBondContact CG2-O 3.43Å; T781-S797 PolarHBondContact OG1-O 3.3Å; T781-S798 VanDerWaalsContact OG1-CA 3.26Å; T781-S798 WeakPolarHBondContact OG1-CA 3.11Å; T781-S798 PolarHBondContact OG1-N 3.03Å; T781-S798 VanDerWaalsContact OG1-N 3.16Å | ||
| 782 | I | 22 | Very low | 26.7 | Very low | 93 Ų | 93 | 121.6 Ų | 121.6 | 48% | 0.477 | 58% | 0.583 | S | S | . | * | trans | 69.6 | 135.3 | 158 | -69.5 | 174.4 | 0 | 0 | 0 | 117.3 | L796 | I782-L796 HydrophobicContact CG1-CB 4.16Š| ||
| 783 | S | 26.9 | Very low | 27.2 | Very low | 55 Ų | 55 | 118.6 Ų | 118.6 | 39% | 0.385 | 58% | 0.576 | S | S | . | * | cis | -125.4 | 160.6 | 1.6 | 71.3 | 0 | 0 | 0 | 0 | 112 | F819 | S783-F819 VanDerWaalsContact O-CE2 3.28Å; S783-F819 WeakPolarHBondContact O-CE2 3.31Å | ||
| 784 | S | 25.3 | Very low | 27.4 | Very low | 73 Ų | 73 | 114.9 Ų | 114.9 | 51% | 0.51 | 57% | 0.57 | S | S | . | * | cis | 80.5 | 54.6 | 11.3 | 90.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 785 | Y | 28.7 | Very low | 27.4 | Very low | 150 Ų | 150 | 111.8 Ų | 111.8 | 59% | 0.588 | 56% | 0.559 | S | S | * | * | trans | -134.8 | 134.4 | 161.4 | -104.1 | -97.1 | 0 | 0 | 0 | 112.4 | F819 | Y785-F819 WeakPolarHBondContact O-CE1 3.47Å; Y785-F819 WeakPolarHBondContact O-CZ 3.27Å | ||
| 786 | L | 25.4 | Very low | 27.3 | Very low | 113 Ų | 113 | 106.7 Ų | 106.7 | 59% | 0.592 | 55% | 0.546 | S | S | * | . | cis | -175.7 | 174.8 | -28.3 | -122.8 | 162.2 | 0 | 0 | 0 | 109.2 | ||||
| 787 | I | 30.1 | Very low | 27.5 | Very low | 118 Ų | 118 | 103.2 Ų | 103.2 | 61% | 0.605 | 54% | 0.537 | S | S | * | . | trans | 73.1 | 82.6 | 164.5 | -54.9 | 137.2 | 0 | 0 | 0 | 116 | ||||
| 788 | N | 32.9 | Very low | 27.8 | Very low | 145 Ų | 145 | 97 Ų | 97 | 78% | 0.775 | 52% | 0.518 | S | S | * | . | 174.4 | 78.9 | 118.7 | -85.9 | -40.1 | 0 | 0 | 0 | 105.2 | |||||
| 789 | D | 28.9 | Very low | 27.5 | Very low | 106 Ų | 106 | 92.1 Ų | 92.1 | 57% | 0.567 | 50% | 0.5 | S | S | * | . | 64.3 | 110.6 | 79.2 | -52 | 9.2 | 0 | 0 | 0 | 108.2 | |||||
| 790 | W | 28.8 | Very low | 27.1 | Very low | 214 Ų | 214 | 94.9 Ų | 94.9 | 81% | 0.811 | 51% | 0.505 | S | S | * | . | -142.5 | 140.3 | 61.9 | -105.8 | 50.6 | 0 | 0 | 0 | 115.2 | |||||
| 791 | L | 31.3 | Very low | 27.2 | Very low | 87 Ų | 87 | 101 Ų | 101 | 46% | 0.455 | 53% | 0.533 | S | S | . | . | trans | 64.4 | 119.9 | 155.9 | -83.1 | 50 | 0 | 0 | 0 | 117.6 | ||||
| 792 | I | 32.3 | Very low | 27.4 | Very low | 90 Ų | 90 | 102.3 Ų | 102.3 | 46% | 0.462 | 54% | 0.544 | S | S | . | . | 66.3 | 110.9 | 76.9 | -66.9 | 178.3 | 0 | 0 | 0 | 109.8 | D1197 S1199 | I792-D1197 HydrophobicContact CG2-CB 4Å; I792-D1197 WeakPolarHBondContact CG2-O 3.31Å; I792-S1199 PolarHBondContact O-OG 2.84Å; I792-S1199 VanDerWaalsContact O-OG 3.09Å | |||
| 793 | S | 33.1 | Very low | 27.3 | Very low | 88 Ų | 88 | 103.8 Ų | 103.8 | 62% | 0.615 | 54% | 0.544 | S | S | * | . | cis | -153.2 | 173.8 | -10.4 | 74.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 794 | S | 26.3 | Very low | 27.2 | Very low | 102 Ų | 102 | 106 Ų | 106 | 71% | 0.713 | 54% | 0.544 | S | S | * | . | cis | -152.7 | -177.9 | 1.3 | 87.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 795 | S | 26.8 | Very low | 27.2 | Very low | 72 Ų | 72 | 108.2 Ų | 108.2 | 50% | 0.503 | 55% | 0.547 | S | S | . | . | cis | -162.3 | 157.3 | -7.3 | 36.4 | 0 | 0 | 0 | 0 | 109.1 | R1159 | S795-R1159 PolarHBondContact O-NH1 2.86Å; S795-R1159 VanDerWaalsContact O-NH1 3.15Å | ||
| 796 | L | 24.5 | Very low | 27.2 | Very low | 113 Ų | 113 | 107.2 Ų | 107.2 | 59% | 0.592 | 55% | 0.55 | S | S | * | * | trans | -130.6 | 137.7 | 167.4 | -82.3 | 80.8 | 0 | 0 | 0 | 109.5 | T781 I782 | T781-L796 HydrophobicContact CG2-CB 4.46Å; I782-L796 HydrophobicContact CG1-CB 4.16Å | ||
| 797 | S | 27.3 | Very low | 27.5 | Very low | 54 Ų | 54 | 107.6 Ų | 107.6 | 38% | 0.378 | 55% | 0.553 | S | S | . | * | trans | -170.6 | 154 | 173.8 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | L780 T781 | L780-S797 WeakPolarHBondContact CD2-O 3.31Å; L780-S797 WeakPolarHBondContact CG-O 3.35Å; T781-S797 VanDerWaalsContact CG2-O 3.27Å; T781-S797 WeakPolarHBondContact CG2-O 3.43Å; T781-S797 PolarHBondContact OG1-O 3.3Å | ||
| 798 | S | 27.5 | Very low | 27.6 | Very low | 31 Ų | 31 | 107.1 Ų | 107.1 | 22% | 0.217 | 56% | 0.56 | C | S | . | * | cis | -157.7 | 110.6 | -37.1 | -73.9 | 0 | 0 | 0 | 0 | 110.4 | L780 T781 Y800 S802 | L780-S798 CarbonylContact O-C 3.42Å; T781-S798 VanDerWaalsContact OG1-CA 3.26Å; T781-S798 WeakPolarHBondContact OG1-CA 3.11Å; T781-S798 PolarHBondContact OG1-N 3.03Å; T781-S798 VanDerWaalsContact OG1-N 3.16Å; S798-Y800 PolarHBondContact O-N 3.39Å; S798-S802 PolarHBondContact O-OG 3.23Å | ||
| 799 | I | 24.6 | Very low | 27.5 | Very low | 70 Ų | 70 | 106.2 Ų | 106.2 | 36% | 0.359 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.6 | 70.9 | 150.6 | -65.4 | 160.6 | 0 | 0 | 0 | 105.7 | K778 N779 L780 | K778-I799 HydrophobicContact CB-CD1 4.25Å; K778-I799 HydrophobicContact CG-CD1 4.18Å; N779-I799 WeakPolarHBondContact O-CD1 3.47Å; N779-I799 WeakPolarHBondContact O-CG1 3.18Å; L780-I799 HydrophobicContact CB-CG1 4.24Å; L780-I799 WeakPolarHBondContact O-CB 3.45Å; L780-I799 WeakPolarHBondContact O-CG1 3.34Å; L780-I799 PolarHBondContact O-N 2.92Å |
| 800 | Y | 22.1 | Very low | 27.5 | Very low | 138 Ų | 138 | 106.5 Ų | 106.5 | 54% | 0.541 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -168.6 | 2.7 | 165.5 | -120.2 | -71.9 | 0 | 0 | 0 | 117.6 | S798 S802 N816 | S798-Y800 PolarHBondContact O-N 3.39Å; Y800-S802 PolarHBondContact N-OG 3.17Å; Y800-N816 PolarHBondContact OH-N 2.56Å |
| 801 | H | 26 | Very low | 27.7 | Very low | 158 Ų | 158 | 100.3 Ų | 100.3 | 73% | 0.731 | 54% | 0.538 | S | S | * | . | trans | -160.2 | 78.1 | 160.3 | -103.6 | -75.2 | 0 | 0 | 0 | 110.4 | W803 | H801-W803 PolarHBondContact CE1-O 3.13Å; H801-W803 PolarHBondContact ND1-O 2.94Å | ||
| 802 | S | 23.9 | Very low | 27.6 | Very low | 79 Ų | 79 | 99.8 Ų | 99.8 | 55% | 0.552 | 54% | 0.538 | S | S | * | . | cis | 71.5 | -2.3 | 0.9 | -26.7 | 0 | 0 | 0 | 0 | 119.9 | S798 Y800 | S798-S802 PolarHBondContact O-OG 3.23Å; Y800-S802 PolarHBondContact N-OG 3.17Å | ||
| 803 | W | 21.2 | Very low | 27.8 | Very low | 124 Ų | 124 | 103.6 Ų | 103.6 | 47% | 0.47 | 55% | 0.552 | S | S | . | * | trans | -175.2 | 130 | 158.1 | -119.3 | 60.9 | 0 | 0 | 0 | 110.9 | H801 T812 | H801-W803 PolarHBondContact CE1-O 3.13Å; H801-W803 PolarHBondContact ND1-O 2.94Å; W803-T812 HydrophobicContact CE3-CG2 4.44Å; W803-T812 VanDerWaalsContact CH2-CA 3.49Å; W803-T812 HydrophobicContact CH2-CG2 4.42Å; W803-T812 VanDerWaalsContact CZ3-CA 3.49Å; W803-T812 HydrophobicContact CZ3-CG2 3.66Å | ||
| 804 | Y | 24.1 | Very low | 27.7 | Very low | 101 Ų | 101 | 105.4 Ų | 105.4 | 40% | 0.396 | 55% | 0.553 | S | S | . | * | trans | 64.4 | 148.1 | 155.3 | -77.4 | -136 | 0 | 0 | 0 | 116.6 | Y810 | Y804-Y810 HydrophobicContact CD1-CE1 4.47Å; Y804-Y810 AromaticContact CE1-CD1 4Å; Y804-Y810 HydrophobicContact CE1-CD1 4Å; Y804-Y810 HydrophobicContact CE1-CE1 4.27Å; Y804-Y810 HydrophobicContact CE1-CG 4.19Å; Y804-Y810 VanDerWaalsContact OH-C 3.3Å; Y804-Y810 WeakPolarHBondContact OH-CA 3.29Å; Y804-Y810 PolarHBondContact OH-N 3.18Å | ||
| 805 | E | 25.1 | Very low | 28.3 | Very low | 119 Ų | 119 | 107.6 Ų | 107.6 | 56% | 0.556 | 56% | 0.555 | S | S | * | * | cis | -141.6 | 160.3 | 15.1 | -142.7 | 159.8 | -130.1 | 0 | 0 | 106.7 | Y810 | E805-Y810 WeakPolarHBondContact OE1-CE1 3.46Å; E805-Y810 PolarHBondContact OE1-OH 3.03Å; E805-Y810 PolarHBondContact OE2-OH 2.66Å | ||
| 806 | I | 30 | Very low | 28.5 | Very low | 129 Ų | 129 | 109.7 Ų | 109.7 | 66% | 0.662 | 56% | 0.561 | S | S | * | * | S | Bend | -161.3 | 136.7 | 56.1 | -74.4 | -177.1 | 0 | 0 | 0 | 110.1 | |||
| 807 | N | 31.4 | Very low | 28.6 | Very low | 121 Ų | 121 | 112.7 Ų | 112.7 | 65% | 0.647 | 57% | 0.566 | S | S | * | * | S | Bend | trans | 53.6 | 111.2 | 164.4 | -58.7 | -21 | 0 | 0 | 0 | 117 | ||
| 808 | S | 31.8 | Very low | 28.8 | Very low | 108 Ų | 108 | 116 Ų | 116 | 76% | 0.755 | 58% | 0.584 | S | S | * | * | S | Bend | cis | -158.1 | 126.2 | 27.4 | 150 | 0 | 0 | 0 | 0 | 110.8 | ||
| 809 | L | 30.3 | Very low | 28.7 | Very low | 126 Ų | 126 | 120 Ų | 120 | 66% | 0.66 | 60% | 0.597 | S | S | * | * | cis | -153.9 | 149.8 | -0.9 | -81.9 | 160.2 | 0 | 0 | 0 | 109.8 | ||||
| 810 | Y | 28.6 | Very low | 28.8 | Very low | 112 Ų | 112 | 120.3 Ų | 120.3 | 44% | 0.439 | 61% | 0.606 | S | S | . | * | trans | 22 | 146.9 | 140.4 | -64.7 | -87.8 | 0 | 0 | 0 | 121.4 | Y804 E805 | Y804-Y810 HydrophobicContact CD1-CE1 4.47Å; Y804-Y810 AromaticContact CE1-CD1 4Å; Y804-Y810 HydrophobicContact CE1-CD1 4Å; Y804-Y810 HydrophobicContact CE1-CE1 4.27Å; Y804-Y810 HydrophobicContact CE1-CG 4.19Å; Y804-Y810 VanDerWaalsContact OH-C 3.3Å; Y804-Y810 WeakPolarHBondContact OH-CA 3.29Å; Y804-Y810 PolarHBondContact OH-N 3.18Å; E805-Y810 WeakPolarHBondContact OE1-CE1 3.46Å; E805-Y810 PolarHBondContact OE1-OH 3.03Å; E805-Y810 PolarHBondContact OE2-OH 2.66Å | ||
| 811 | S | 32.6 | Very low | 29.1 | Very low | 84 Ų | 84 | 124.5 Ų | 124.5 | 59% | 0.587 | 62% | 0.621 | S | S | * | * | cis | -177.3 | 157.7 | 7.1 | 41.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 812 | T | 30.9 | Very low | 29.1 | Very low | 77 Ų | 77 | 122.8 Ų | 122.8 | 47% | 0.472 | 62% | 0.616 | S | S | . | * | cis | -167.5 | -169.5 | -7.6 | 26.9 | 0 | 0 | 0 | 0 | 108.9 | W803 | W803-T812 HydrophobicContact CE3-CG2 4.44Å; W803-T812 VanDerWaalsContact CH2-CA 3.49Å; W803-T812 HydrophobicContact CH2-CG2 4.42Å; W803-T812 VanDerWaalsContact CZ3-CA 3.49Å; W803-T812 HydrophobicContact CZ3-CG2 3.66Å | ||
| 813 | F | 34.7 | Very low | 29.5 | Very low | 170 Ų | 170 | 127.2 Ų | 127.2 | 75% | 0.746 | 63% | 0.633 | S | S | * | * | trans | 93.9 | 116.4 | 168.6 | -64.2 | -97.3 | 0 | 0 | 0 | 116 | ||||
| 814 | I | 32.9 | Very low | 29.7 | Very low | 126 Ų | 126 | 127 Ų | 127 | 65% | 0.646 | 64% | 0.641 | S | S | * | * | 78.4 | 130.1 | 57.8 | -60.1 | 159.6 | 0 | 0 | 0 | 109.3 | |||||
| 815 | I | 37.7 | Very low | 29.9 | Very low | 147 Ų | 147 | 128 Ų | 128 | 75% | 0.754 | 65% | 0.654 | S | S | * | * | -155 | 131.9 | 75.8 | -41 | -166.4 | 0 | 0 | 0 | 116.1 | |||||
| 816 | N | 31.9 | Very low | 30 | Very low | 117 Ų | 117 | 127.8 Ų | 127.8 | 63% | 0.626 | 66% | 0.66 | S | S | * | * | trans | -4.5 | 128.6 | 154.5 | -80 | -15.4 | 0 | 0 | 0 | 125.4 | Y800 | Y800-N816 PolarHBondContact OH-N 2.56Š| ||
| 817 | Y | 26.8 | Very low | 29.7 | Very low | 176 Ų | 176 | 126.5 Ų | 126.5 | 69% | 0.69 | 66% | 0.663 | S | S | * | * | 69.7 | 151.1 | 110.5 | -106.5 | -89.1 | 0 | 0 | 0 | 125.9 | |||||
| 818 | T | 30.7 | Very low | 29.7 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 76% | 0.761 | 68% | 0.676 | S | S | * | * | trans | 71.3 | 130.2 | 167.9 | 63 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 819 | F | 25.6 | Very low | 29.3 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 50% | 0.496 | 68% | 0.682 | S | S | . | * | cis | 95.9 | 115.4 | 1.3 | -150.4 | -109.2 | 0 | 0 | 0 | 120 | S783 Y785 | S783-F819 VanDerWaalsContact O-CE2 3.28Å; S783-F819 WeakPolarHBondContact O-CE2 3.31Å; Y785-F819 WeakPolarHBondContact O-CE1 3.47Å; Y785-F819 WeakPolarHBondContact O-CZ 3.27Å | ||
| 820 | S | 25.9 | Very low | 29 | Very low | 77 Ų | 77 | 137.9 Ų | 137.9 | 54% | 0.538 | 69% | 0.688 | S | S | . | * | trans | 110.1 | 146 | 134.2 | -132.2 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 821 | R | 28.7 | Very low | 28.9 | Very low | 226 Ų | 226 | 139.4 Ų | 139.4 | 85% | 0.853 | 70% | 0.702 | S | S | * | * | trans | 84.2 | 153.6 | 153 | -66.1 | -170.5 | 170.2 | -178.6 | -4.5 | 121.8 | ||||
| 822 | L | 26.2 | Very low | 28.5 | Very low | 122 Ų | 122 | 142.5 Ų | 142.5 | 64% | 0.639 | 71% | 0.711 | S | S | * | * | cis | 168.9 | 151.8 | -35.5 | -122.1 | 157.9 | 0 | 0 | 0 | 109.2 | N824 | L822-N824 VanDerWaalsContact CD2-OD1 3.31Å; L822-N824 WeakPolarHBondContact CD2-OD1 3.18Å | ||
| 823 | L | 31.4 | Very low | 28.1 | Very low | 173 Ų | 173 | 143.3 Ų | 143.3 | 91% | 0.906 | 72% | 0.72 | S | S | * | * | trans | -171.3 | 99.5 | 144.1 | -107.7 | 165 | 0 | 0 | 0 | 116.7 | ||||
| 824 | N | 26.4 | Very low | 27.7 | Very low | 118 Ų | 118 | 141.9 Ų | 141.9 | 63% | 0.631 | 73% | 0.725 | S | S | * | * | trans | -26.1 | 168.5 | 148.8 | -80.8 | 59.5 | 0 | 0 | 0 | 119.9 | L822 | L822-N824 VanDerWaalsContact CD2-OD1 3.31Å; L822-N824 WeakPolarHBondContact CD2-OD1 3.18Å | ||
| 825 | D | 27.6 | Very low | 27.2 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 66% | 0.663 | 73% | 0.73 | S | S | * | * | cis | 169.7 | 177.6 | -8.1 | 176.4 | 21.7 | 0 | 0 | 0 | 110.7 | ||||
| 826 | T | 27.3 | Very low | 26.6 | Very low | 113 Ų | 113 | 139.5 Ų | 139.5 | 69% | 0.693 | 73% | 0.733 | S | S | * | * | trans | 83.4 | 150.2 | 157.9 | 74.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 827 | S | 24.8 | Very low | 26.2 | Very low | 103 Ų | 103 | 140.1 Ų | 140.1 | 72% | 0.72 | 74% | 0.735 | S | S | * | * | cis | -177.7 | 150.4 | -21.5 | -100 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 828 | I | 30.5 | Very low | 26 | Very low | 178 Ų | 178 | 137.9 Ų | 137.9 | 91% | 0.913 | 73% | 0.73 | S | S | * | * | trans | 175.6 | 170.4 | 148.7 | -95.4 | 158.7 | 0 | 0 | 0 | 113.3 | ||||
| 829 | R | 23.5 | Very low | 25.8 | Very low | 233 Ų | 233 | 136.4 Ų | 136.4 | 88% | 0.879 | 72% | 0.716 | S | S | * | * | trans | -140.9 | 140.8 | -158.3 | -63.9 | 175.5 | 169.5 | -172.7 | -4.1 | 119.4 | ||||
| 830 | K | 25.3 | Very low | 25.8 | Very low | 183 Ų | 183 | 135.5 Ų | 135.5 | 80% | 0.796 | 72% | 0.716 | S | S | * | * | trans | 59.9 | -178.6 | 152.4 | -62 | -167 | 175.5 | -173.8 | 0 | 117.3 | ||||
| 831 | I | 25.8 | Very low | 25.7 | Very low | 143 Ų | 143 | 138.2 Ų | 138.2 | 73% | 0.733 | 73% | 0.725 | S | S | * | * | cis | -163.1 | 152.7 | 18.5 | -157.8 | 163.2 | 0 | 0 | 0 | 116.7 | ||||
| 832 | L | 23.2 | Very low | 25.4 | Very low | 149 Ų | 149 | 132.7 Ų | 132.7 | 78% | 0.78 | 72% | 0.721 | S | S | * | * | trans | 60.6 | 137.3 | 153 | -86.3 | 168.2 | 0 | 0 | 0 | 128 | ||||
| 833 | S | 24.4 | Very low | 25.1 | Very low | 95 Ų | 95 | 134.3 Ų | 134.3 | 66% | 0.664 | 73% | 0.729 | S | S | * | * | trans | 76.7 | 117.1 | 139.9 | 63.5 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 834 | T | 24.7 | Very low | 24.8 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 85% | 0.853 | 72% | 0.72 | S | S | * | * | trans | 59 | 106.5 | 140.7 | 57.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 835 | G | 23.7 | Very low | 24.6 | Very low | 73 Ų | 73 | 132.3 Ų | 132.3 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | trans | 107.5 | 124.3 | 133.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 836 | N | 23.8 | Very low | 24.5 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 81% | 0.807 | 72% | 0.716 | S | S | * | * | trans | 77.1 | 115.2 | 154 | -68.6 | -0.8 | 0 | 0 | 0 | 122.6 | ||||
| 837 | L | 24 | Very low | 24.3 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 68% | 0.675 | 71% | 0.712 | S | S | * | * | 68.7 | 124.2 | 129.1 | -82.5 | 78.5 | 0 | 0 | 0 | 123.1 | |||||
| 838 | F | 23.1 | Very low | 24.3 | Very low | 130 Ų | 130 | 132.2 Ų | 132.2 | 57% | 0.57 | 71% | 0.711 | S | S | * | * | trans | 73.4 | 133.1 | 130.7 | -78.3 | -143.8 | 0 | 0 | 0 | 121.4 | ||||
| 839 | I | 26.3 | Very low | 24.5 | Very low | 93 Ų | 93 | 130.1 Ų | 130.1 | 48% | 0.477 | 71% | 0.707 | S | S | . | * | trans | 66.2 | 129 | 142.4 | -65.3 | 172.9 | 0 | 0 | 0 | 116.4 | K2333 D2334 M2335 | I839-K2333 HydrophobicContact CD1-CD 4.32Å; I839-K2333 HydrophobicContact CG1-CD 4.46Å; I839-D2334 HydrophobicContact CD1-CB 4.39Å; I839-M2335 HydrophobicContact CD1-CE 3.72Å | ||
| 840 | N | 24.8 | Very low | 24.3 | Very low | 93 Ų | 93 | 124.8 Ų | 124.8 | 50% | 0.497 | 70% | 0.695 | S | S | . | * | cis | -159.6 | 156.3 | -1.1 | -117.3 | 14.9 | 0 | 0 | 0 | 110.2 | ||||
| 841 | N | 24.8 | Very low | 24.5 | Very low | 134 Ų | 134 | 120.7 Ų | 120.7 | 72% | 0.717 | 69% | 0.69 | S | S | * | * | trans | 53.8 | 129.4 | 154.5 | -63.1 | 3.5 | 0 | 0 | 0 | 120.9 | ||||
| 842 | S | 21.6 | Very low | 24.5 | Very low | 110 Ų | 110 | 120.7 Ų | 120.7 | 77% | 0.769 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 71 | 159.8 | -176.8 | -27.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 843 | L | 21.3 | Very low | 24.7 | Very low | 157 Ų | 157 | 117.9 Ų | 117.9 | 82% | 0.822 | 68% | 0.684 | S | S | * | * | trans | 50.3 | 96.8 | 155.1 | -66.7 | 165.5 | 0 | 0 | 0 | 116 | ||||
| 844 | V | 23.2 | Very low | 24.8 | Very low | 116 Ų | 116 | 119.3 Ų | 119.3 | 70% | 0.703 | 69% | 0.689 | S | S | * | * | 97.5 | 149.3 | 88.7 | 145.5 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 845 | D | 22.8 | Very low | 24.8 | Very low | 133 Ų | 133 | 116.6 Ų | 116.6 | 71% | 0.711 | 67% | 0.669 | S | S | * | * | trans | 73.1 | 147.3 | 160.4 | -86.4 | -4 | 0 | 0 | 0 | 119 | ||||
| 846 | I | 25.2 | Very low | 24.8 | Very low | 98 Ų | 98 | 120.7 Ų | 120.7 | 50% | 0.503 | 67% | 0.666 | S | S | . | * | cis | -161.7 | 153.4 | -6.5 | -143.1 | 164.8 | 0 | 0 | 0 | 112.9 | ||||
| 847 | K | 23.8 | Very low | 24.7 | Very low | 138 Ų | 138 | 120.1 Ų | 120.1 | 60% | 0.6 | 66% | 0.66 | S | S | * | * | trans | 61.1 | 141.5 | 165.9 | -61.8 | 171.8 | -159.3 | 73.1 | 0 | 117.2 | L850 | K847-L850 VanDerWaalsContact N-CD1 3.33Š| ||
| 848 | S | 25.1 | Very low | 24.6 | Very low | 102 Ų | 102 | 120.8 Ų | 120.8 | 71% | 0.713 | 66% | 0.663 | S | S | * | * | S | Bend | cis | -129.1 | 129.8 | -5.1 | 45.2 | 0 | 0 | 0 | 0 | 108.4 | ||
| 849 | T | 33.7 | Very low | 24.5 | Very low | 134 Ų | 134 | 120.3 Ų | 120.3 | 82% | 0.822 | 67% | 0.671 | S | S | * | * | trans | 47.7 | 90.1 | -173 | 47 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 850 | L | 20.5 | Very low | 24.2 | Very low | 121 Ų | 121 | 118.3 Ų | 118.3 | 63% | 0.634 | 67% | 0.665 | S | S | * | * | cis | 52.3 | 84.3 | 20.7 | -81 | 159.8 | 0 | 0 | 0 | 111.9 | K847 | K847-L850 VanDerWaalsContact N-CD1 3.33Š| ||
| 851 | S | 28.3 | Very low | 24.4 | Very low | 97 Ų | 97 | 118.9 Ų | 118.9 | 68% | 0.678 | 67% | 0.674 | S | S | * | * | cis | -143.6 | 143.4 | 44.3 | 53.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 852 | N | 26.9 | Very low | 24.3 | Very low | 142 Ų | 142 | 116 Ų | 116 | 76% | 0.759 | 66% | 0.657 | S | S | * | * | trans | 48 | 146.9 | 130.3 | -57.2 | 17.7 | 0 | 0 | 0 | 121.6 | ||||
| 853 | S | 27.2 | Very low | 24.4 | Very low | 90 Ų | 90 | 113.9 Ų | 113.9 | 63% | 0.629 | 65% | 0.653 | S | S | * | * | cis | -176.4 | 113.1 | -23.9 | 46.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 854 | T | 25.8 | Very low | 24.4 | Very low | 126 Ų | 126 | 112.3 Ų | 112.3 | 77% | 0.773 | 65% | 0.645 | S | S | * | * | 21.2 | 119.4 | 121.9 | 58.7 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 855 | L | 25.1 | Very low | 24.3 | Very low | 82 Ų | 82 | 111.3 Ų | 111.3 | 43% | 0.429 | 64% | 0.642 | S | S | . | * | 45.9 | 113.1 | 119.3 | -166.1 | 149.5 | 0 | 0 | 0 | 119.2 | I612 | I612-L855 HydrophobicContact CD1-CB 3.7Å; I612-L855 HydrophobicContact CD1-CD1 4.28Å; I612-L855 HydrophobicContact CD1-CG 4.23Å; I612-L855 HydrophobicContact CG1-CB 3.83Å; I612-L855 HydrophobicContact CG1-CD1 3.74Å; I612-L855 HydrophobicContact CG1-CG 3.78Å | |||
| 856 | F | 23.1 | Very low | 24.6 | Very low | 158 Ų | 158 | 110.6 Ų | 110.6 | 69% | 0.693 | 64% | 0.638 | S | S | * | * | -176.4 | 176.6 | 128.3 | -106.2 | -59.8 | 0 | 0 | 0 | 112.8 | |||||
| 857 | M | 21.9 | Very low | 24.9 | Very low | 140 Ų | 140 | 111.4 Ų | 111.4 | 69% | 0.69 | 65% | 0.65 | S | S | * | * | trans | -50.3 | 165.9 | 157.3 | -54.6 | 161.1 | 178.4 | 0 | 0 | 110.5 | ||||
| 858 | I | 22.4 | Very low | 24.8 | Very low | 142 Ų | 142 | 111.2 Ų | 111.2 | 73% | 0.728 | 65% | 0.653 | S | S | * | * | cis | -161 | 155.7 | 39 | -39 | 166.9 | 0 | 0 | 0 | 109.5 | ||||
| 859 | T | 20.9 | Very low | 24.8 | Very low | 120 Ų | 120 | 109.3 Ų | 109.3 | 74% | 0.736 | 65% | 0.65 | S | S | * | * | trans | 71.4 | 171.6 | 153.2 | 26.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 860 | S | 20.4 | Very low | 24.5 | Very low | 52 Ų | 52 | 108 Ų | 108 | 36% | 0.364 | 65% | 0.646 | S | S | . | * | trans | -35.1 | 159.6 | 165.7 | -61.2 | 0 | 0 | 0 | 0 | 116.6 | C69 H70 | C69-S860 WeakPolarHBondContact O-CB 3.43Å; C69-S860 PolarHBondContact O-OG 2.03Å; H70-S860 PolarHBondContact CE1-O 3.03Å; H70-S860 VanDerWaalsContact NE2-CB 3.34Å; H70-S860 WeakPolarHBondContact NE2-CB 3.38Å; H70-S860 PolarHBondContact NE2-O 3.36Å | ||
| 861 | P | 29.4 | Very low | 24.8 | Very low | 105 Ų | 105 | 106.3 Ų | 106.3 | 68% | 0.682 | 65% | 0.645 | S | S | * | * | trans | -71.8 | -78.6 | -165 | 27.7 | -37.5 | 0 | 0 | 0 | 120.6 | H70 | H70-P861 PolarHBondContact CE1-O 2.8Å; H70-P861 VanDerWaalsContact CE1-O 3.23Å; H70-P861 WeakPolarHBondContact NE2-CA 3.28Å; H70-P861 WeakPolarHBondContact NE2-CB 3.49Å; H70-P861 WeakPolarHBondContact NE2-CD 3.39Å; H70-P861 WeakPolarHBondContact NE2-CG 3.06Å | ||
| 862 | M | 22 | Very low | 24.7 | Very low | 73 Ų | 73 | 109.4 Ų | 109.4 | 36% | 0.36 | 65% | 0.649 | S | S | . | * | trans | -56.7 | 164.8 | -157.5 | -71 | 166.7 | 55.5 | 0 | 0 | 119.2 | D67 H70 N85 L864 | D67-M862 HydrophobicContact CB-CE 4.03Å; D67-M862 WeakPolarHBondContact OD2-CB 3.24Å; D67-M862 WeakPolarHBondContact OD2-CE 3.13Å; H70-M862 PolarHBondContact CE1-N 3.21Å; H70-M862 VanDerWaalsContact CE1-N 3.26Å; H70-M862 PolarHBondContact CE1-O 2.86Å; H70-M862 VanDerWaalsContact CE1-O 3.27Å; H70-M862 PolarHBondContact NE2-N 2.93Å; N85-M862 HydrophobicContact CB-CE 4.12Å; N85-M862 HydrophobicContact CB-SD 3.93Å; M862-L864 HydrophobicContact CB-CD1 4.43Å; M862-L864 HydrophobicContact CB-CG 4.48Å; M862-L864 HydrophobicContact CE-CD1 3.7Å; M862-L864 HydrophobicContact CE-CG 4.25Å | ||
| 863 | G | 23.7 | Very low | 24.7 | Very low | 66 Ų | 66 | 107.6 Ų | 107.6 | 68% | 0.68 | 65% | 0.646 | S | S | * | * | trans | 140.3 | 58.9 | -157.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 864 | L | 21.3 | Very low | 24.6 | Very low | 124 Ų | 124 | 109.8 Ų | 109.8 | 65% | 0.649 | 66% | 0.655 | S | S | * | * | 44.4 | 111.2 | 67.4 | -63.5 | 177.1 | 0 | 0 | 0 | 110.2 | M862 | M862-L864 HydrophobicContact CB-CD1 4.43Å; M862-L864 HydrophobicContact CB-CG 4.48Å; M862-L864 HydrophobicContact CE-CD1 3.7Å; M862-L864 HydrophobicContact CE-CG 4.25Å | |||
| 865 | C | 21.9 | Very low | 25 | Very low | 95 Ų | 95 | 108.7 Ų | 108.7 | 64% | 0.642 | 65% | 0.65 | S | S | * | * | cis | -156.7 | -176.9 | 8.4 | -130 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 866 | D | 28.3 | Very low | 25.3 | Very low | 117 Ų | 117 | 111.8 Ų | 111.8 | 63% | 0.626 | 67% | 0.666 | S | S | * | * | trans | -25.5 | 144.3 | 146.2 | -49.8 | -98.5 | 0 | 0 | 0 | 113.9 | I868 | D866-I868 HydrophobicContact CB-CD1 3.98Å; D866-I868 HydrophobicContact CB-CG1 3.95Å | ||
| 867 | P | 30.5 | Very low | 25.5 | Very low | 116 Ų | 116 | 111.5 Ų | 111.5 | 75% | 0.753 | 67% | 0.671 | S | S | * | * | -111.4 | 133.8 | 85.1 | -13.5 | 32 | 0 | 0 | 0 | 112.4 | |||||
| 868 | I | 22.4 | Very low | 25.8 | Very low | 133 Ų | 133 | 109.2 Ų | 109.2 | 68% | 0.682 | 67% | 0.669 | S | S | * | * | 46.4 | 83.9 | 69.1 | -54.2 | 150.8 | 0 | 0 | 0 | 108.4 | D866 | D866-I868 HydrophobicContact CB-CD1 3.98Å; D866-I868 HydrophobicContact CB-CG1 3.95Å | |||
| 869 | G | 25.4 | Very low | 26 | Very low | 62 Ų | 62 | 106.7 Ų | 106.7 | 64% | 0.639 | 66% | 0.664 | S | S | * | * | cis | 80.9 | -155.8 | 43.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 870 | S | 27.3 | Very low | 26.5 | Very low | 107 Ų | 107 | 107.1 Ų | 107.1 | 75% | 0.748 | 67% | 0.666 | S | S | * | * | trans | 66.5 | 157.5 | -179.1 | 99.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 871 | S | 26.1 | Very low | 26.8 | Very low | 85 Ų | 85 | 107 Ų | 107 | 59% | 0.594 | 67% | 0.673 | S | S | * | * | cis | -154.6 | -168.3 | -6.8 | 38 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 872 | Q | 27.1 | Very low | 26.5 | Very low | 163 Ų | 163 | 109.1 Ų | 109.1 | 76% | 0.762 | 68% | 0.678 | S | S | * | * | cis | -176.4 | 161.7 | 33.7 | -147.3 | 165 | 90.2 | 0 | 0 | 110.1 | ||||
| 873 | C | 26.5 | Very low | 26.6 | Very low | 104 Ų | 104 | 108.6 Ų | 108.6 | 70% | 0.703 | 68% | 0.682 | S | S | * | * | trans | 63.9 | 117.8 | 165.1 | -61.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 874 | V | 24.8 | Very low | 26.9 | Very low | 135 Ų | 135 | 113.7 Ų | 113.7 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | cis | 61.2 | 129.7 | 45.4 | -172.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 875 | P | 34.2 | Very low | 26.9 | Very low | 104 Ų | 104 | 115.6 Ų | 115.6 | 68% | 0.675 | 69% | 0.691 | S | S | * | * | cis | -133.5 | -167.3 | 6.3 | 31.2 | -7.6 | 0 | 0 | 0 | 115.4 | ||||
| 876 | L | 31 | Very low | 27.3 | Very low | 146 Ų | 146 | 116.4 Ų | 116.4 | 76% | 0.764 | 70% | 0.698 | S | S | * | * | trans | 91.3 | 128.7 | 152.6 | -67 | 168.9 | 0 | 0 | 0 | 119.3 | ||||
| 877 | L | 28.1 | Very low | 27 | Very low | 152 Ų | 152 | 116.4 Ų | 116.4 | 80% | 0.796 | 70% | 0.698 | S | S | * | * | trans | 48.2 | 114.5 | 140.7 | -63.1 | 168.7 | 0 | 0 | 0 | 117.7 | ||||
| 878 | S | 27.2 | Very low | 27 | Very low | 92 Ų | 92 | 116.9 Ų | 116.9 | 64% | 0.643 | 70% | 0.704 | S | S | * | * | cis | -171 | 174.1 | 7.5 | 53.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 879 | S | 27.4 | Very low | 27.2 | Very low | 89 Ų | 89 | 116.4 Ų | 116.4 | 62% | 0.622 | 71% | 0.713 | S | S | * | * | trans | 62.7 | 137.8 | 133.8 | 63.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 880 | V | 32.3 | Very low | 27.2 | Very low | 129 Ų | 129 | 116.2 Ų | 116.2 | 78% | 0.782 | 71% | 0.711 | S | S | * | * | trans | 54.4 | 86.2 | 166.9 | -121.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 881 | G | 26.5 | Very low | 27.2 | Very low | 49 Ų | 49 | 120.6 Ų | 120.6 | 51% | 0.505 | 72% | 0.717 | S | S | . | * | cis | 71.1 | 144.5 | 33.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 882 | D | 23.5 | Very low | 27.1 | Very low | 150 Ų | 150 | 121.5 Ų | 121.5 | 80% | 0.802 | 72% | 0.719 | S | S | * | * | 68.4 | 166.8 | 81.9 | -55.9 | -51.9 | 0 | 0 | 0 | 113.2 | |||||
| 883 | S | 23.5 | Very low | 26.9 | Very low | 62 Ų | 62 | 120.1 Ų | 120.1 | 43% | 0.434 | 73% | 0.726 | S | S | . | * | trans | 83.4 | 60.4 | 135.3 | -70.7 | 0 | 0 | 0 | 0 | 119.6 | R885 | S883-R885 VanDerWaalsContact CA-CB 3.4Å; S883-R885 WeakPolarHBondContact OG-CB 3.09Å | ||
| 884 | L | 30.6 | Very low | 26.8 | Very low | 174 Ų | 174 | 122.4 Ų | 122.4 | 91% | 0.911 | 73% | 0.729 | S | S | * | * | S | Bend | -110.3 | 98.9 | 90.4 | -69.9 | -179.7 | 0 | 0 | 0 | 107.9 | |||
| 885 | R | 20.8 | Very low | 26.6 | Very low | 163 Ų | 163 | 121.2 Ų | 121.2 | 62% | 0.615 | 73% | 0.726 | S | S | * | * | cis | 56.4 | 108.6 | 37.2 | -177.9 | -162.7 | -161.7 | 171.6 | 9.7 | 112.2 | S883 D887 | S883-R885 VanDerWaalsContact CA-CB 3.4Å; S883-R885 WeakPolarHBondContact OG-CB 3.09Å; R885-D887 WeakPolarHBondContact CG-OD2 3.5Å; R885-D887 IonicContact NE-OD2 2.75Å; R885-D887 PolarHBondContact NE-OD2 2.82Å | ||
| 886 | S | 29.2 | Very low | 25.9 | Very low | 112 Ų | 112 | 124.8 Ų | 124.8 | 78% | 0.783 | 73% | 0.733 | S | S | * | * | -168 | 116.1 | 99.5 | 23.2 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 887 | D | 23.4 | Very low | 25.5 | Very low | 117 Ų | 117 | 123.2 Ų | 123.2 | 63% | 0.626 | 73% | 0.729 | S | S | * | * | 63.9 | 89 | 80.9 | -71.8 | -34.6 | 0 | 0 | 0 | 112.1 | R885 | R885-D887 WeakPolarHBondContact CG-OD2 3.5Å; R885-D887 IonicContact NE-OD2 2.75Å; R885-D887 PolarHBondContact NE-OD2 2.82Å | |||
| 888 | S | 30.1 | Very low | 25.2 | Very low | 127 Ų | 127 | 122.4 Ų | 122.4 | 89% | 0.888 | 73% | 0.726 | S | S | * | * | trans | -150.7 | 75.1 | 147.9 | -81 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 889 | S | 25.7 | Very low | 25.2 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 85% | 0.853 | 73% | 0.734 | S | S | * | * | trans | -34.7 | 158.6 | 157.8 | 50.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 890 | G | 26.2 | Very low | 25.1 | Very low | 59 Ų | 59 | 132.5 Ų | 132.5 | 61% | 0.608 | 75% | 0.746 | S | S | * | * | 129.2 | 132.8 | 129.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 891 | F | 27.6 | Very low | 24.8 | Very low | 198 Ų | 198 | 129.2 Ų | 129.2 | 87% | 0.868 | 74% | 0.738 | S | S | * | * | trans | 67.4 | 148 | 169.1 | -60.4 | -87.3 | 0 | 0 | 0 | 116.9 | ||||
| 892 | T | 23.6 | Very low | 24.6 | Very low | 104 Ų | 104 | 133.8 Ų | 133.8 | 64% | 0.638 | 74% | 0.74 | S | S | * | * | cis | -175.3 | 165.2 | -46 | 28.5 | 0 | 0 | 0 | 0 | 108 | I894 | T892-I894 PolarHBondContact O-N 2.99Š| ||
| 893 | C | 21.9 | Very low | 24.6 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 91% | 0.905 | 73% | 0.732 | S | S | * | * | trans | -60.3 | 115.9 | 155.7 | -65.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 894 | I | 24.6 | Very low | 24.6 | Very low | 152 Ų | 152 | 135.8 Ų | 135.8 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | trans | -131.8 | 141.8 | 155.6 | -67.5 | -172.1 | 0 | 0 | 0 | 110.3 | T892 | T892-I894 PolarHBondContact O-N 2.99Š| ||
| 895 | C | 21.9 | Very low | 24.1 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 75% | 0.75 | 73% | 0.734 | S | S | * | * | trans | -65.3 | 144.4 | -178.1 | -50.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 896 | H | 19.8 | Very low | 24.2 | Very low | 179 Ų | 179 | 135.9 Ų | 135.9 | 83% | 0.829 | 74% | 0.741 | S | S | * | * | 57.3 | 142.7 | 111.7 | -150.4 | -48.1 | 0 | 0 | 0 | 120.1 | |||||
| 897 | V | 21.6 | Very low | 23.9 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 68% | 0.679 | 74% | 0.742 | S | S | * | * | trans | 99.5 | 135.3 | 166.3 | -172.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 898 | D | 21.9 | Very low | 23.8 | Very low | 136 Ų | 136 | 140.5 Ų | 140.5 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | -36.7 | 145.1 | 172 | -34.5 | -56.2 | 0 | 0 | 0 | 116.3 | ||||
| 899 | Y | 27.6 | Very low | 23.4 | Very low | 206 Ų | 206 | 141.1 Ų | 141.1 | 81% | 0.808 | 74% | 0.74 | S | S | * | * | -168.5 | 127.8 | 110 | -114.7 | -91 | 0 | 0 | 0 | 110.6 | |||||
| 900 | E | 25.8 | Very low | 23.3 | Very low | 187 Ų | 187 | 144.5 Ų | 144.5 | 87% | 0.874 | 74% | 0.739 | S | S | * | * | trans | 63.9 | 155.5 | 169.2 | -40.5 | -160.2 | 161.1 | 0 | 0 | 117.3 | ||||
| 901 | G | 25.7 | Very low | 23 | Very low | 59 Ų | 59 | 145.7 Ų | 145.7 | 61% | 0.608 | 74% | 0.737 | S | S | * | * | cis | 172.9 | 100.1 | -11.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 902 | R | 22.4 | Very low | 22.7 | Very low | 145 Ų | 145 | 142.8 Ų | 142.8 | 55% | 0.547 | 73% | 0.731 | S | S | . | * | trans | 64.7 | 122.5 | 142.2 | -75.9 | -176.4 | -180 | -137.4 | 1.2 | 122.5 | S1588 | R902-S1588 PolarHBondContact NE-OG 2.84Å; R902-S1588 VanDerWaalsContact NE-OG 3.1Å | ||
| 903 | Y | 23.2 | Very low | 22.9 | Very low | 165 Ų | 165 | 146.8 Ų | 146.8 | 65% | 0.647 | 74% | 0.739 | S | S | * | * | trans | 63.5 | 166.7 | 147.3 | -66.8 | -65.6 | 0 | 0 | 0 | 116.8 | F1589 | Y903-F1589 HydrophobicContact CD1-CZ 4.01Å; Y903-F1589 HydrophobicContact CD2-CZ 4.26Å; Y903-F1589 HydrophobicContact CE1-CE2 4.4Å; Y903-F1589 AromaticContact CE1-CZ 3.91Å; Y903-F1589 HydrophobicContact CE1-CZ 3.91Å; Y903-F1589 HydrophobicContact CE2-CE2 4.17Å; Y903-F1589 HydrophobicContact CE2-CZ 4.14Å; Y903-F1589 HydrophobicContact CG-CZ 4.16Å; Y903-F1589 AromaticContact CZ-CZ 3.96Å | ||
| 904 | C | 22.3 | Very low | 23.1 | Very low | 89 Ų | 89 | 148 Ų | 148 | 60% | 0.601 | 73% | 0.734 | S | S | * | * | cis | -131.6 | 161.6 | -5.3 | -125.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 905 | E | 21.9 | Very low | 23 | Very low | 166 Ų | 166 | 146.1 Ų | 146.1 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | 35.6 | 135.8 | 103.9 | -61.6 | -167.6 | 110 | 0 | 0 | 118.8 | |||||
| 906 | K | 22.7 | Very low | 23.2 | Very low | 174 Ų | 174 | 148.6 Ų | 148.6 | 76% | 0.757 | 72% | 0.723 | S | S | * | * | trans | 7.6 | 156.2 | 147.9 | -56.6 | 178.3 | 178.3 | 178.3 | 0 | 121.1 | ||||
| 907 | Y | 21.5 | Very low | 23.4 | Very low | 208 Ų | 208 | 146.9 Ų | 146.9 | 82% | 0.816 | 72% | 0.716 | S | S | * | * | trans | 91.1 | 131.2 | 140.4 | -98.8 | -55.5 | 0 | 0 | 0 | 119.9 | ||||
| 908 | V | 21.3 | Very low | 23.4 | Very low | 118 Ų | 118 | 150.7 Ų | 150.7 | 72% | 0.715 | 72% | 0.719 | S | S | * | * | trans | 75.5 | 145.5 | 154.7 | -171.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 909 | D | 22.3 | Very low | 23.6 | Very low | 140 Ų | 140 | 151.3 Ų | 151.3 | 75% | 0.749 | 72% | 0.723 | S | S | * | * | trans | -55.8 | 164.6 | 168.3 | -40 | -99.6 | 0 | 0 | 0 | 113.4 | ||||
| 910 | F | 22.8 | Very low | 23.6 | Very low | 193 Ų | 193 | 144.4 Ų | 144.4 | 85% | 0.846 | 71% | 0.714 | S | S | * | * | -177.3 | 161.6 | 108.2 | -137 | -114.7 | 0 | 0 | 0 | 113.7 | |||||
| 911 | C | 20.8 | Very low | 23.7 | Very low | 84 Ų | 84 | 142.5 Ų | 142.5 | 57% | 0.568 | 71% | 0.71 | S | S | * | * | trans | -50.7 | 165.6 | -173.4 | -48.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 912 | D | 22.2 | Very low | 23.7 | Very low | 137 Ų | 137 | 150.2 Ų | 150.2 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | trans | 61.5 | 111 | 137.1 | -71.1 | -22.9 | 0 | 0 | 0 | 120.8 | ||||
| 913 | K | 27.2 | Very low | 23.9 | Very low | 187 Ų | 187 | 148.7 Ų | 148.7 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | -172.2 | 138.5 | 92.6 | -107.2 | 147.1 | -169.8 | 146.6 | 0 | 116.3 | |||||
| 914 | M | 24.7 | Very low | 24.2 | Very low | 160 Ų | 160 | 148.3 Ų | 148.3 | 79% | 0.788 | 74% | 0.741 | S | S | * | * | trans | 68.3 | 144.5 | 141.6 | -62.4 | -105.1 | -80.2 | 0 | 0 | 117.5 | ||||
| 915 | N | 23.8 | Very low | 24.4 | Very low | 112 Ų | 112 | 151.5 Ų | 151.5 | 60% | 0.599 | 75% | 0.752 | S | S | * | * | cis | 171.6 | 133 | -23.3 | -124.9 | -48.6 | 0 | 0 | 0 | 103.8 | ||||
| 916 | K | 24.7 | Very low | 24.9 | Very low | 164 Ų | 164 | 147.5 Ų | 147.5 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | 55.7 | 115.8 | 139.6 | -74.2 | 178.4 | 176.2 | -168.9 | 0 | 121.3 | ||||
| 917 | Q | 24.3 | Very low | 25.2 | Very low | 143 Ų | 143 | 142.2 Ų | 142.2 | 67% | 0.668 | 75% | 0.75 | S | S | * | * | 97.4 | 125.9 | 116.9 | -72.5 | -176 | -94.8 | 0 | 0 | 121.8 | |||||
| 918 | Y | 23.2 | Very low | 25.3 | Very low | 191 Ų | 191 | 143.9 Ų | 143.9 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | trans | 54.4 | 108.5 | 136 | -72.1 | -116.6 | 0 | 0 | 0 | 119.1 | ||||
| 919 | N | 26.1 | Very low | 25.6 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 80% | 0.802 | 75% | 0.75 | S | S | * | * | -167.8 | 151.6 | 91 | -82.1 | -55.4 | 0 | 0 | 0 | 106.9 | |||||
| 920 | G | 26.6 | Very low | 25.8 | Very low | 61 Ų | 61 | 142.6 Ų | 142.6 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | 89.7 | 132.3 | 55.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 921 | N | 27.9 | Very low | 25.9 | Very low | 146 Ų | 146 | 139 Ų | 139 | 78% | 0.781 | 74% | 0.736 | S | S | * | * | cis | -159.4 | 151.4 | 11.2 | -86.6 | -37.7 | 0 | 0 | 0 | 113.2 | ||||
| 922 | Y | 25 | Very low | 26.3 | Very low | 222 Ų | 222 | 141.8 Ų | 141.8 | 87% | 0.871 | 74% | 0.74 | S | S | * | * | trans | 28.9 | 145.9 | 136.4 | -78.3 | -87.4 | 0 | 0 | 0 | 124.6 | ||||
| 923 | C | 26.9 | Very low | 26.8 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 76% | 0.764 | 74% | 0.736 | S | S | * | * | trans | -74.2 | 156.7 | 175.5 | -34.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 924 | L | 30.5 | Very low | 27.1 | Very low | 157 Ų | 157 | 140.4 Ų | 140.4 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | trans | -154.7 | 145.9 | 157.7 | -67.8 | 179 | 0 | 0 | 0 | 107.9 | ||||
| 925 | N | 27.1 | Very low | 27.5 | Very low | 156 Ų | 156 | 142.9 Ų | 142.9 | 83% | 0.834 | 73% | 0.733 | S | S | * | * | cis | -170.9 | 156.3 | -17.3 | -117 | -0 | 0 | 0 | 0 | 108.5 | ||||
| 926 | G | 31 | Very low | 27.8 | Very low | 82 Ų | 82 | 142.7 Ų | 142.7 | 85% | 0.845 | 74% | 0.736 | S | S | * | * | trans | 177.1 | 30.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 125 | ||||
| 927 | G | 28.5 | Very low | 28 | Very low | 63 Ų | 63 | 138.9 Ų | 138.9 | 65% | 0.649 | 73% | 0.726 | S | S | * | * | trans | 88 | 135.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 928 | W | 24.2 | Very low | 28 | Very low | 243 Ų | 243 | 133.1 Ų | 133.1 | 92% | 0.92 | 70% | 0.702 | S | S | * | * | cis | 71.4 | 126.7 | 40.9 | -60.7 | 47 | 0 | 0 | 0 | 111.7 | ||||
| 929 | C | 27.2 | Very low | 28.2 | Very low | 90 Ų | 90 | 128.3 Ų | 128.3 | 61% | 0.608 | 69% | 0.689 | S | S | * | * | cis | -163.5 | 166.2 | 7.2 | -120.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 930 | E | 27 | Very low | 28.2 | Very low | 141 Ų | 141 | 127.1 Ų | 127.1 | 66% | 0.659 | 67% | 0.674 | S | S | * | * | cis | -166.2 | 179.5 | 8.3 | -150.8 | 168.2 | 85.8 | 0 | 0 | 110.8 | ||||
| 931 | N | 26 | Very low | 28.1 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 63% | 0.631 | 67% | 0.667 | S | S | * | * | trans | 42 | 132.4 | 140.3 | -92.1 | -32.3 | 0 | 0 | 0 | 121.2 | ||||
| 932 | Q | 29.1 | Very low | 27.8 | Very low | 142 Ų | 142 | 124.5 Ų | 124.5 | 66% | 0.664 | 65% | 0.651 | S | S | * | * | cis | -155.9 | 167.4 | 19 | -66.9 | -139.4 | -57.9 | 0 | 0 | 113.8 | ||||
| 933 | I | 31.1 | Very low | 28.1 | Very low | 127 Ų | 127 | 119.4 Ų | 119.4 | 65% | 0.651 | 64% | 0.639 | S | S | * | * | trans | 49.6 | 123.6 | 136.5 | -73.3 | 173.2 | 0 | 0 | 0 | 118 | ||||
| 934 | K | 35.1 | Very low | 28.1 | Very low | 167 Ų | 167 | 121.1 Ų | 121.1 | 73% | 0.726 | 64% | 0.64 | S | S | * | * | cis | -142.9 | 129.9 | 5.3 | -116.5 | 163.9 | -169.5 | 175.6 | 0 | 106.8 | ||||
| 935 | R | 32.5 | Very low | 27.8 | Very low | 213 Ų | 213 | 119 Ų | 119 | 80% | 0.804 | 63% | 0.63 | S | S | * | * | 67.4 | 108.4 | 101.6 | -73.4 | -155 | 174.7 | -175.9 | -2.4 | 113.1 | |||||
| 936 | T | 30.1 | Very low | 27.8 | Very low | 107 Ų | 107 | 116.7 Ų | 116.7 | 66% | 0.656 | 62% | 0.621 | S | S | * | * | 65.5 | 138.9 | 68.2 | 74.5 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 937 | T | 27.9 | Very low | 27.6 | Very low | 84 Ų | 84 | 120.2 Ų | 120.2 | 52% | 0.515 | 61% | 0.61 | S | S | . | * | cis | -161 | 155 | 13.5 | 7.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 938 | S | 26.1 | Very low | 27.9 | Very low | 23 Ų | 23 | 124.2 Ų | 124.2 | 16% | 0.161 | 62% | 0.616 | C | S | . | * | cis | 69.4 | 91.6 | 33.7 | 173.7 | 0 | 0 | 0 | 0 | 116.3 | F1018 I1019 | S938-F1018 VanDerWaalsContact CA-O 3.28Å; S938-F1018 WeakPolarHBondContact CA-O 2.99Å; S938-F1018 VanDerWaalsContact CB-O 3.29Å; S938-F1018 WeakPolarHBondContact CB-O 3.05Å; S938-F1018 PolarHBondContact N-O 3.01Å; S938-I1019 VanDerWaalsContact CA-O 3.23Å; S938-I1019 WeakPolarHBondContact CA-O 3.39Å; S938-I1019 PolarHBondContact N-O 3.04Å | ||
| 939 | N | 26.8 | Very low | 28.1 | Very low | 90 Ų | 90 | 119.9 Ų | 119.9 | 48% | 0.481 | 61% | 0.611 | S | S | . | * | trans | 62.4 | 93.2 | 173.2 | -76.6 | -28.5 | 0 | 0 | 0 | 113.8 | I1019 P1020 | N939-I1019 HydrophobicContact CB-CG2 4.22Å; N939-I1019 VanDerWaalsContact CG-CG2 3.42Å; N939-I1019 WeakPolarHBondContact OD1-CG2 3.46Å; N939-P1020 CarbonylContact C-O 3.48Å; N939-P1020 WeakPolarHBondContact CA-O 3.27Å; N939-P1020 PolarHBondContact N-O 2.88Å | ||
| 940 | Y | 25.4 | Very low | 28.1 | Very low | 124 Ų | 124 | 120.4 Ų | 120.4 | 49% | 0.486 | 61% | 0.612 | S | S | . | * | trans | -142.7 | 126.5 | 131 | -76.1 | -58.2 | 0 | 0 | 0 | 111 | P1020 P1021 Y1022 | Y940-P1020 PolarHBondContact N-O 3.46Å; Y940-P1021 CarbonylContact O-C 2.86Å; Y940-P1021 WeakPolarHBondContact O-CA 3.05Å; Y940-Y1022 VanDerWaalsContact CB-CD2 3.4Å; Y940-Y1022 AromaticContact CD1-CD2 3.76Å; Y940-Y1022 HydrophobicContact CD1-CD2 3.76Å; Y940-Y1022 HydrophobicContact CD1-CE1 4.24Å; Y940-Y1022 AromaticContact CD1-CE2 3.25Å; Y940-Y1022 HydrophobicContact CD1-CE2 3.25Å; Y940-Y1022 HydrophobicContact CD1-CG 4.4Å; Y940-Y1022 AromaticContact CD1-CZ 3.5Å; Y940-Y1022 VanDerWaalsContact CD1-CZ 3.5Å; Y940-Y1022 AromaticContact CD2-CD2 3.4Å; Y940-Y1022 HydrophobicContact CD2-CD2 3.4Å; Y940-Y1022 VanDerWaalsContact CD2-CD2 3.4Å; Y940-Y1022 AromaticContact CD2-CE2 3.72Å; Y940-Y1022 HydrophobicContact CD2-CE2 3.72Å; Y940-Y1022 HydrophobicContact CD2-CG 4.11Å; Y940-Y1022 HydrophobicContact CE1-CD2 4.31Å; Y940-Y1022 AromaticContact CE1-CE2 3.59Å; Y940-Y1022 HydrophobicContact CE1-CE2 3.59Å; Y940-Y1022 AromaticContact CE2-CD2 3.99Å; Y940-Y1022 HydrophobicContact CE2-CD2 3.99Å; Y940-Y1022 HydrophobicContact CE2-CE2 4.02Å; Y940-Y1022 HydrophobicContact CG-CD1 4.27Å; Y940-Y1022 AromaticContact CG-CD2 3.26Å; Y940-Y1022 HydrophobicContact CG-CD2 3.26Å; Y940-Y1022 HydrophobicContact CG-CE1 4.31Å; Y940-Y1022 AromaticContact CG-CE2 3.32Å; Y940-Y1022 HydrophobicContact CG-CE2 3.32Å; Y940-Y1022 AromaticContact CG-CG 3.73Å; Y940-Y1022 HydrophobicContact CG-CG 3.73Å; Y940-Y1022 AromaticContact CG-CZ 3.84Å; Y940-Y1022 AromaticContact CZ-CE2 3.96Å; Y940-Y1022 WeakPolarHBondContact O-CA 3.49Å; Y940-Y1022 PolarHBondContact O-N 2.04Å; Y940-Y1022 VanDerWaalsContact O-N 3.1Å | ||
| 941 | N | 23.9 | Very low | 28 | Very low | 89 Ų | 89 | 122.6 Ų | 122.6 | 48% | 0.476 | 62% | 0.615 | S | S | . | * | cis | -145 | 166.3 | -24.8 | -139.3 | 20.7 | 0 | 0 | 0 | 112.8 | Y1022 | N941-Y1022 HydrophobicContact CB-CE1 3.97Š| ||
| 942 | S | 22.1 | Very low | 27.9 | Very low | 63 Ų | 63 | 122.9 Ų | 122.9 | 44% | 0.441 | 61% | 0.613 | S | S | . | * | trans | -30.4 | 168.7 | 154.9 | 58.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 943 | D | 31.4 | Very low | 27.8 | Very low | 115 Ų | 115 | 122.2 Ų | 122.2 | 62% | 0.615 | 61% | 0.609 | S | S | * | * | trans | 75.4 | 109.8 | 163.9 | -41.3 | -57.4 | 0 | 0 | 0 | 112.5 | N945 | D943-N945 PolarHBondContact OD1-ND2 3.41Š| ||
| 944 | D | 26.7 | Very low | 27.5 | Very low | 150 Ų | 150 | 123.1 Ų | 123.1 | 80% | 0.802 | 61% | 0.611 | S | S | * | * | cis | -115.7 | 145 | 27.4 | -70.3 | -53.7 | 0 | 0 | 0 | 114.8 | ||||
| 945 | N | 25.5 | Very low | 27.2 | Very low | 112 Ų | 112 | 120.3 Ų | 120.3 | 60% | 0.599 | 60% | 0.603 | S | S | * | * | cis | 85.4 | 130 | 40.6 | -66.3 | -49.4 | 0 | 0 | 0 | 113.4 | D943 | D943-N945 PolarHBondContact OD1-ND2 3.41Š| ||
| 946 | V | 26.4 | Very low | 27.1 | Very low | 108 Ų | 108 | 116.3 Ų | 116.3 | 66% | 0.655 | 60% | 0.597 | S | S | * | * | cis | -168.6 | 173.8 | -4.2 | 62.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 947 | Y | 26.2 | Very low | 26.9 | Very low | 155 Ų | 155 | 116.9 Ų | 116.9 | 61% | 0.608 | 60% | 0.602 | S | S | * | * | trans | 78.3 | 151.2 | 173.1 | -63.9 | -48.8 | 0 | 0 | 0 | 118 | ||||
| 948 | N | 36 | Very low | 27 | Very low | 147 Ų | 147 | 119 Ų | 119 | 79% | 0.786 | 61% | 0.609 | S | S | * | * | cis | 64.5 | 110.6 | -9.6 | -158.9 | 3.4 | 0 | 0 | 0 | 120.2 | T950 | N948-T950 PolarHBondContact O-N 3.5Š| ||
| 949 | N | 27.2 | Very low | 26.9 | Very low | 152 Ų | 152 | 121.6 Ų | 121.6 | 81% | 0.813 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -97.6 | 90.5 | -167.5 | -128.1 | -10.9 | 0 | 0 | 0 | 115.1 | ||
| 950 | T | 27.2 | Very low | 26.7 | Very low | 102 Ų | 102 | 126.7 Ų | 126.7 | 63% | 0.626 | 65% | 0.647 | S | S | * | * | trans | -96.2 | 178.9 | 145.9 | 54.7 | 0 | 0 | 0 | 0 | 109.9 | N948 H952 | N948-T950 PolarHBondContact O-N 3.5Å; T950-H952 PolarHBondContact O-N 3.35Å | ||
| 951 | Y | 24.4 | Very low | 26.8 | Very low | 186 Ų | 186 | 125.9 Ų | 125.9 | 73% | 0.729 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -40.7 | 138.7 | 154 | -90.1 | -90.5 | 0 | 0 | 0 | 110.7 | ||
| 952 | H | 25.7 | Very low | 27 | Very low | 125 Ų | 125 | 127.6 Ų | 127.6 | 58% | 0.579 | 67% | 0.674 | S | S | * | * | cis | -132.7 | 143.6 | 22.7 | -90.2 | -99.8 | 0 | 0 | 0 | 114.8 | T950 | T950-H952 PolarHBondContact O-N 3.35Š| ||
| 953 | H | 26.7 | Very low | 27.3 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 59% | 0.588 | 69% | 0.694 | S | S | * | * | trans | 64 | 109.3 | 143.4 | -78.7 | -117 | 0 | 0 | 0 | 118.3 | ||||
| 954 | Q | 24.6 | Very low | 27.2 | Very low | 146 Ų | 146 | 128.1 Ų | 128.1 | 68% | 0.682 | 70% | 0.698 | S | S | * | * | 84.6 | 129.9 | 78.7 | -88.2 | -172.8 | -5.8 | 0 | 0 | 112.3 | |||||
| 955 | I | 29.1 | Very low | 27.1 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 55% | 0.554 | 71% | 0.706 | S | S | * | * | cis | -139.3 | 179 | -8 | 0.7 | 69 | 0 | 0 | 0 | 107.2 | ||||
| 956 | L | 29.5 | Very low | 27.4 | Very low | 130 Ų | 130 | 130.4 Ų | 130.4 | 68% | 0.681 | 72% | 0.72 | S | S | * | * | S | Bend | cis | -114.3 | -167.7 | 27.2 | -29.8 | -179.8 | 0 | 0 | 0 | 111.5 | I958 | L956-I958 HydrophobicContact CB-CG1 4.41Å; L956-I958 HydrophobicContact CD2-CD1 4.47Å; L956-I958 HydrophobicContact CD2-CG1 3.98Å |
| 957 | P | 25.4 | Very low | 27.6 | Very low | 118 Ų | 118 | 128.5 Ų | 128.5 | 77% | 0.766 | 72% | 0.722 | S | S | * | * | S | Bend | cis | -60.2 | 154.7 | -8.6 | 25.6 | -34.9 | 0 | 0 | 0 | 112.9 | C959 | P957-C959 PolarHBondContact O-N 3.06Š|
| 958 | I | 29.9 | Very low | 27.8 | Very low | 129 Ų | 129 | 130.1 Ų | 130.1 | 66% | 0.662 | 74% | 0.735 | S | S | * | * | trans | -75.5 | 114.4 | -167.7 | -62 | -179.9 | 0 | 0 | 0 | 112.3 | L956 | L956-I958 HydrophobicContact CB-CG1 4.41Å; L956-I958 HydrophobicContact CD2-CD1 4.47Å; L956-I958 HydrophobicContact CD2-CG1 3.98Å | ||
| 959 | C | 25.3 | Very low | 27.3 | Very low | 77 Ų | 77 | 134.2 Ų | 134.2 | 52% | 0.52 | 74% | 0.739 | S | S | . | * | trans | 36.9 | 97.4 | 151.8 | -61.4 | 0 | 0 | 0 | 0 | 118.1 | P957 C961 | P957-C959 PolarHBondContact O-N 3.06Å; C959-C961 VanDerWaalsContact C-N 3.31Å; C959-C961 PolarHBondContact O-N 3.23Å | ||
| 960 | H | 23.2 | Very low | 27.3 | Very low | 197 Ų | 197 | 131.5 Ų | 131.5 | 91% | 0.912 | 73% | 0.731 | S | S | * | * | trans | -70.8 | 83.5 | 157.9 | -133.6 | 59.1 | 0 | 0 | 0 | 110.4 | ||||
| 961 | C | 26.5 | Very low | 27.1 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 72% | 0.723 | 74% | 0.736 | S | S | * | * | trans | -144.5 | 75.4 | -177.7 | -90.2 | 0 | 0 | 0 | 0 | 114.6 | C959 S963 | C959-C961 VanDerWaalsContact C-N 3.31Å; C959-C961 PolarHBondContact O-N 3.23Å; C961-S963 PolarHBondContact O-N 2.98Å; C961-S963 VanDerWaalsContact O-N 3.1Å | ||
| 962 | P | 29.2 | Very low | 27 | Very low | 125 Ų | 125 | 128 Ų | 128 | 81% | 0.812 | 72% | 0.718 | S | S | * | * | trans | -84 | 68.9 | 173.1 | 34.2 | -34.3 | 0 | 0 | 0 | 112.8 | ||||
| 963 | S | 27.4 | Very low | 26.9 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 85% | 0.853 | 71% | 0.713 | S | S | * | * | trans | -172.4 | 107.9 | 164 | -80.9 | 0 | 0 | 0 | 0 | 111.2 | C961 | C961-S963 PolarHBondContact O-N 2.98Å; C961-S963 VanDerWaalsContact O-N 3.1Å | ||
| 964 | G | 29 | Very low | 26.9 | Very low | 68 Ų | 68 | 128.3 Ų | 128.3 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | cis | 172.5 | 148.6 | -9.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 965 | F | 25.6 | Very low | 26.8 | Very low | 224 Ų | 224 | 126.9 Ų | 126.9 | 98% | 0.982 | 71% | 0.709 | S | S | * | * | trans | 66 | 112.7 | 170.8 | -77.9 | -90.7 | 0 | 0 | 0 | 120.5 | ||||
| 966 | G | 30.2 | Very low | 26.6 | Very low | 86 Ų | 86 | 124.6 Ų | 124.6 | 89% | 0.887 | 70% | 0.698 | S | S | * | * | trans | 99.2 | 126 | 155 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 967 | G | 30.6 | Very low | 26.3 | Very low | 68 Ų | 68 | 122.2 Ų | 122.2 | 70% | 0.701 | 69% | 0.691 | S | S | * | * | cis | -174.6 | 176.5 | -3.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 968 | E | 30.2 | Very low | 26.1 | Very low | 188 Ų | 188 | 121.6 Ų | 121.6 | 88% | 0.879 | 69% | 0.685 | S | S | * | * | trans | 70.1 | 131.5 | -172.9 | -48.2 | -170.2 | 149.5 | 0 | 0 | 112.8 | ||||
| 969 | R | 26.5 | Very low | 26 | Very low | 233 Ų | 233 | 124 Ų | 124 | 88% | 0.879 | 69% | 0.693 | S | S | * | * | cis | 69 | 137.1 | 38.2 | -65.5 | -175.3 | 170.9 | 172.6 | -5.2 | 112.5 | ||||
| 970 | C | 27.7 | Very low | 25.9 | Very low | 95 Ų | 95 | 124.8 Ų | 124.8 | 64% | 0.642 | 70% | 0.699 | S | S | * | * | cis | -132.1 | 156.3 | 8 | -99.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 971 | E | 22.1 | Very low | 26.5 | Very low | 157 Ų | 157 | 120.2 Ų | 120.2 | 73% | 0.734 | 69% | 0.687 | S | S | * | * | 55.9 | 112.1 | 72.1 | -66.6 | -180 | 130.1 | 0 | 0 | 116.3 | |||||
| 972 | V | 23.6 | Very low | 26.4 | Very low | 58 Ų | 58 | 120.3 Ų | 120.3 | 35% | 0.352 | 69% | 0.688 | S | S | . | * | 77.7 | 139.8 | 121.8 | 174.7 | 0 | 0 | 0 | 0 | 120.6 | F1789 | V972-F1789 HydrophobicContact CG2-CB 4.33Š| |||
| 973 | Y | 23.5 | Very low | 26.1 | Very low | 119 Ų | 119 | 120.4 Ų | 120.4 | 47% | 0.467 | 68% | 0.681 | S | S | . | * | trans | 79.2 | 157.3 | 168.8 | -70.1 | -40.7 | 0 | 0 | 0 | 117.9 | F1789 | Y973-F1789 HydrophobicContact CD1-CD2 4.41Å; Y973-F1789 HydrophobicContact CD1-CE2 4.06Å; Y973-F1789 HydrophobicContact CD1-CZ 4.17Å; Y973-F1789 HydrophobicContact CE1-CE2 4.42Å | ||
| 974 | H | 26.5 | Very low | 26.2 | Very low | 140 Ų | 140 | 123 Ų | 123 | 65% | 0.648 | 68% | 0.679 | S | S | * | * | cis | -140.7 | 156.6 | 8.9 | -145.8 | -83.4 | 0 | 0 | 0 | 114.4 | ||||
| 975 | E | 22.4 | Very low | 26.1 | Very low | 115 Ų | 115 | 123.3 Ų | 123.3 | 54% | 0.537 | 68% | 0.682 | S | S | . | * | trans | -79.1 | 171.2 | 167.1 | -170.7 | -176 | -133.3 | 0 | 0 | 110.5 | ||||
| 976 | L | 24.9 | Very low | 26.3 | Very low | 60 Ų | 60 | 115 Ų | 115 | 31% | 0.314 | 66% | 0.66 | S | S | . | * | trans | 76.1 | 124.7 | 159.7 | -75 | 136.8 | 0 | 0 | 0 | 122.2 | H1779 | L976-H1779 WeakPolarHBondContact CA-NE2 3.45Å; L976-H1779 HydrophobicContact CD2-CB 4.49Å; L976-H1779 PolarHBondContact N-NE2 2.67Å | ||
| 977 | C | 22.2 | Very low | 26.1 | Very low | 80 Ų | 80 | 116.9 Ų | 116.9 | 54% | 0.541 | 65% | 0.648 | S | S | . | * | 111.7 | 116.2 | 127.8 | -82.3 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 978 | V | 22.6 | Very low | 25.9 | Very low | 105 Ų | 105 | 118.6 Ų | 118.6 | 64% | 0.636 | 65% | 0.648 | S | S | * | * | trans | 72.2 | 105.2 | 131.1 | -178.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 979 | H | 27.6 | Very low | 25.5 | Very low | 179 Ų | 179 | 117.3 Ų | 117.3 | 83% | 0.829 | 64% | 0.642 | S | S | * | * | -165.6 | 132.7 | 107.1 | -110 | -66.3 | 0 | 0 | 0 | 115.7 | |||||
| 980 | S | 23.6 | Very low | 25.9 | Very low | 94 Ų | 94 | 110.7 Ų | 110.7 | 66% | 0.657 | 63% | 0.629 | S | S | * | * | trans | -124 | -172.7 | 143.4 | 68.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 981 | P | 35.4 | Very low | 25.7 | Very low | 101 Ų | 101 | 111 Ų | 111 | 66% | 0.656 | 63% | 0.632 | S | S | * | * | cis | -138.3 | -160.6 | -7.7 | 36.5 | -14.5 | 0 | 0 | 0 | 113.3 | ||||
| 982 | C | 22.9 | Very low | 25.8 | Very low | 109 Ų | 109 | 112.2 Ų | 112.2 | 74% | 0.736 | 64% | 0.635 | S | S | * | * | trans | 72.4 | 145.2 | 144.4 | -75.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 983 | L | 24.8 | Very low | 25.9 | Very low | 128 Ų | 128 | 116.6 Ų | 116.6 | 67% | 0.67 | 65% | 0.652 | S | S | * | * | cis | 179.3 | 156.4 | 22.4 | -119.8 | 167.9 | 0 | 0 | 0 | 111.4 | ||||
| 984 | H | 28.3 | Very low | 25.9 | Very low | 176 Ų | 176 | 118.2 Ų | 118.2 | 82% | 0.815 | 66% | 0.664 | S | S | * | * | trans | 70.1 | 135.8 | 167 | -51.3 | 112.6 | 0 | 0 | 0 | 119.6 | ||||
| 985 | G | 26.7 | Very low | 25.8 | Very low | 74 Ų | 74 | 117.6 Ų | 117.6 | 76% | 0.763 | 66% | 0.664 | S | S | * | * | cis | 147.1 | 143.4 | -16.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 986 | G | 30.2 | Very low | 25.8 | Very low | 50 Ų | 50 | 115.2 Ų | 115.2 | 52% | 0.515 | 66% | 0.66 | S | S | . | * | trans | 132.9 | 151.5 | 158.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | S1803 | G986-S1803 PolarHBondContact N-O 2.97Å; G986-S1803 VanDerWaalsContact N-O 3.13Å | ||
| 987 | I | 25.5 | Very low | 25.8 | Very low | 125 Ų | 125 | 116 Ų | 116 | 64% | 0.641 | 66% | 0.662 | S | S | * | * | cis | -175.2 | 154.7 | -32.6 | -110.7 | 156.9 | 0 | 0 | 0 | 109.6 | ||||
| 988 | C | 27.3 | Very low | 25.9 | Very low | 104 Ų | 104 | 117.7 Ų | 117.7 | 70% | 0.703 | 67% | 0.666 | S | S | * | * | trans | 76.9 | 104.1 | 166.4 | -78.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 989 | H | 21.8 | Very low | 26 | Very low | 161 Ų | 161 | 120.6 Ų | 120.6 | 75% | 0.745 | 67% | 0.672 | S | S | * | * | 40.4 | 152.1 | 108.3 | -115.3 | -121.9 | 0 | 0 | 0 | 122.1 | |||||
| 990 | P | 35.2 | Very low | 26.1 | Very low | 94 Ų | 94 | 119 Ų | 119 | 61% | 0.61 | 67% | 0.669 | S | S | * | * | cis | -139.7 | -157 | -43.7 | 43.7 | -26.8 | 0 | 0 | 0 | 112.6 | ||||
| 991 | S | 23.6 | Very low | 26.4 | Very low | 101 Ų | 101 | 121.8 Ų | 121.8 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | trans | 95.6 | 116.8 | 166.8 | -38.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 992 | K | 24.4 | Very low | 26 | Very low | 184 Ų | 184 | 123.4 Ų | 123.4 | 80% | 0.8 | 67% | 0.668 | S | S | * | * | 92.4 | 126 | 79.8 | -81.5 | -165.2 | 173.8 | -170.3 | 0 | 114.4 | |||||
| 993 | Q | 24.4 | Very low | 26.3 | Very low | 150 Ų | 150 | 125.1 Ų | 125.1 | 70% | 0.701 | 67% | 0.669 | S | S | * | * | trans | 54.8 | 108.2 | 153.6 | -72.6 | -176.9 | -90.1 | 0 | 0 | 120.5 | ||||
| 994 | Q | 24.3 | Very low | 26.3 | Very low | 152 Ų | 152 | 127.5 Ų | 127.5 | 71% | 0.71 | 67% | 0.674 | S | S | * | * | 70.2 | 144.1 | 121.3 | -74 | 179.8 | -67.9 | 0 | 0 | 122.6 | |||||
| 995 | L | 23.4 | Very low | 26 | Very low | 127 Ų | 127 | 127.1 Ų | 127.1 | 67% | 0.665 | 67% | 0.67 | S | S | * | * | trans | 78.9 | 104.7 | 148.1 | -100.7 | 75.8 | 0 | 0 | 0 | 120.3 | ||||
| 996 | S | 22.2 | Very low | 25.9 | Very low | 65 Ų | 65 | 129.3 Ų | 129.3 | 46% | 0.455 | 66% | 0.664 | S | S | . | * | 80.8 | 141.4 | 112.2 | 72.7 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 997 | Q | 24.9 | Very low | 25.6 | Very low | 76 Ų | 76 | 132.5 Ų | 132.5 | 36% | 0.355 | 67% | 0.674 | S | S | . | * | trans | 93.1 | 122 | 142.6 | -78.2 | 158.8 | -60.9 | 0 | 0 | 123.7 | N1056 D1057 | Q997-N1056 HydrophobicContact CG-CB 3.56Å; Q997-N1056 WeakPolarHBondContact CG-O 3.48Å; Q997-D1057 VanDerWaalsContact NE2-CB 3.32Å; Q997-D1057 PolarHBondContact NE2-OD2 2.73Å | ||
| 998 | L | 24.5 | Very low | 25.6 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 61% | 0.613 | 68% | 0.679 | S | S | * | * | 54.8 | 126.7 | 126.4 | -61 | 167 | 0 | 0 | 0 | 120.3 | |||||
| 999 | Q | 24.9 | Very low | 25.6 | Very low | 166 Ų | 166 | 135.4 Ų | 135.4 | 78% | 0.776 | 68% | 0.681 | S | S | * | * | 169.2 | 133.2 | 90.9 | -85.8 | -162 | -8.8 | 0 | 0 | 112.3 | |||||
| 1000 | L | 29.3 | Very low | 25.7 | Very low | 144 Ų | 144 | 133.2 Ų | 133.2 | 75% | 0.754 | 68% | 0.683 | S | S | * | * | 152.3 | 132.7 | 123.9 | -85.9 | 160.6 | 0 | 0 | 0 | 114.4 | |||||
| 1001 | K | 31.1 | Very low | 25.3 | Very low | 154 Ų | 154 | 131.9 Ų | 131.9 | 67% | 0.67 | 69% | 0.687 | S | S | * | * | trans | 68.4 | 152.5 | 149.9 | -73.2 | -176.4 | 169 | -67.3 | 0 | 119.1 | ||||
| 1002 | E | 26.8 | Very low | 25.5 | Very low | 135 Ų | 135 | 134.1 Ų | 134.1 | 63% | 0.631 | 69% | 0.691 | S | S | * | * | cis | -170.5 | 153.1 | -27.8 | -124.7 | 165.3 | -157.8 | 0 | 0 | 109.4 | ||||
| 1003 | I | 28.9 | Very low | 25.6 | Very low | 145 Ų | 145 | 132.4 Ų | 132.4 | 74% | 0.744 | 69% | 0.691 | S | S | * | * | trans | 67.3 | 116.6 | 159.8 | -63.2 | 163.1 | 0 | 0 | 0 | 115.9 | ||||
| 1004 | K | 23.6 | Very low | 25.5 | Very low | 178 Ų | 178 | 131.3 Ų | 131.3 | 77% | 0.774 | 70% | 0.699 | S | S | * | * | 80.5 | 119.1 | 58.3 | -91.5 | -164.2 | 174.3 | -173.9 | 0 | 117.2 | |||||
| 1005 | F | 24 | Very low | 25.5 | Very low | 167 Ų | 167 | 129 Ų | 129 | 73% | 0.732 | 70% | 0.7 | S | S | * | * | trans | 66.9 | 118.9 | 134.1 | -92.1 | -116.8 | 0 | 0 | 0 | 121.6 | ||||
| 1006 | N | 22.6 | Very low | 25.5 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 64% | 0.642 | 70% | 0.701 | S | S | * | * | 58.3 | 127.9 | 124.7 | -75.9 | 15.8 | 0 | 0 | 0 | 122 | |||||
| 1007 | T | 24.7 | Very low | 25.4 | Very low | 118 Ų | 118 | 133.8 Ų | 133.8 | 72% | 0.724 | 72% | 0.715 | S | S | * | * | trans | 62.3 | 126.3 | 137.3 | 61.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1008 | I | 25.5 | Very low | 25.3 | Very low | 148 Ų | 148 | 137.1 Ų | 137.1 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | -174.3 | 121.6 | 103.7 | -97 | 162.9 | 0 | 0 | 0 | 111.7 | |||||
| 1009 | I | 26.8 | Very low | 25.2 | Very low | 142 Ų | 142 | 136.1 Ų | 136.1 | 73% | 0.728 | 72% | 0.723 | S | S | * | * | trans | 64.9 | 115.6 | 149 | -64.1 | 174.3 | 0 | 0 | 0 | 120.8 | ||||
| 1010 | S | 25.3 | Very low | 25.8 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 80% | 0.797 | 71% | 0.713 | S | S | * | * | trans | 61 | 152.7 | 150.6 | 69.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1011 | G | 26.3 | Very low | 25.9 | Very low | 67 Ų | 67 | 130.4 Ų | 130.4 | 69% | 0.691 | 71% | 0.709 | S | S | * | * | cis | 126.2 | 148.9 | -3.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1012 | N | 27.9 | Very low | 25.7 | Very low | 148 Ų | 148 | 130 Ų | 130 | 79% | 0.791 | 70% | 0.704 | S | S | * | * | trans | 68.2 | 96.1 | 174.2 | -65.5 | 5.6 | 0 | 0 | 0 | 118.4 | ||||
| 1013 | N | 25.5 | Very low | 25.4 | Very low | 148 Ų | 148 | 134 Ų | 134 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | 38.2 | 129.3 | 104.5 | -49.8 | 6.6 | 0 | 0 | 0 | 118.9 | |||||
| 1014 | S | 22.8 | Very low | 25.1 | Very low | 126 Ų | 126 | 131.8 Ų | 131.8 | 88% | 0.881 | 71% | 0.71 | S | S | * | * | -158 | 154.6 | 128.4 | -67.1 | 0 | 0 | 0 | 0 | 110 | |||||
| 1015 | S | 24 | Very low | 25 | Very low | 103 Ų | 103 | 131.2 Ų | 131.2 | 72% | 0.72 | 71% | 0.711 | S | S | * | * | trans | -75 | 155.8 | 171.5 | 52.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1016 | S | 23.7 | Very low | 24.9 | Very low | 98 Ų | 98 | 128.2 Ų | 128.2 | 69% | 0.685 | 71% | 0.709 | S | S | * | * | trans | 61.6 | 142.5 | 149.3 | 56.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1017 | Y | 21.3 | Very low | 25 | Very low | 195 Ų | 195 | 129 Ų | 129 | 77% | 0.765 | 71% | 0.712 | S | S | * | * | trans | 73.6 | 151.9 | 169.3 | -72.7 | -77.9 | 0 | 0 | 0 | 120.8 | ||||
| 1018 | F | 22.8 | Very low | 25 | Very low | 147 Ų | 147 | 132.8 Ų | 132.8 | 65% | 0.645 | 72% | 0.719 | S | S | * | * | trans | 77.2 | 52.9 | 169.4 | -74 | -74.8 | 0 | 0 | 0 | 121.1 | S938 | S938-F1018 VanDerWaalsContact CA-O 3.28Å; S938-F1018 WeakPolarHBondContact CA-O 2.99Å; S938-F1018 VanDerWaalsContact CB-O 3.29Å; S938-F1018 WeakPolarHBondContact CB-O 3.05Å; S938-F1018 PolarHBondContact N-O 3.01Å | ||
| 1019 | I | 21.7 | Very low | 25.1 | Very low | 95 Ų | 95 | 128.7 Ų | 128.7 | 49% | 0.487 | 71% | 0.714 | S | S | . | * | 69.1 | 151.4 | 121.5 | -59.2 | 162 | 0 | 0 | 0 | 117.9 | S938 N939 | S938-I1019 VanDerWaalsContact CA-O 3.23Å; S938-I1019 WeakPolarHBondContact CA-O 3.39Å; S938-I1019 PolarHBondContact N-O 3.04Å; N939-I1019 HydrophobicContact CB-CG2 4.22Å; N939-I1019 VanDerWaalsContact CG-CG2 3.42Å; N939-I1019 WeakPolarHBondContact OD1-CG2 3.46Å | |||
| 1020 | P | 38.3 | Very low | 25 | Very low | 88 Ų | 88 | 133.8 Ų | 133.8 | 57% | 0.571 | 72% | 0.724 | S | S | * | * | trans | -86.1 | 168.8 | -162.4 | -15.3 | 33.2 | 0 | 0 | 0 | 120 | N939 Y940 | N939-P1020 CarbonylContact C-O 3.48Å; N939-P1020 WeakPolarHBondContact CA-O 3.27Å; N939-P1020 PolarHBondContact N-O 2.88Å; Y940-P1020 PolarHBondContact N-O 3.46Å | ||
| 1021 | P | 29.8 | Very low | 24.9 | Very low | 103 Ų | 103 | 133.4 Ų | 133.4 | 67% | 0.669 | 72% | 0.722 | S | S | * | * | trans | -122.6 | 171.5 | -171.7 | 43 | -30 | 0 | 0 | 0 | 118.9 | Y940 | Y940-P1021 CarbonylContact O-C 2.86Å; Y940-P1021 WeakPolarHBondContact O-CA 3.05Å | ||
| 1022 | Y | 26.7 | Very low | 24.9 | Very low | 144 Ų | 144 | 133.5 Ų | 133.5 | 57% | 0.565 | 72% | 0.722 | S | S | * | * | trans | -68 | 161.6 | -163.3 | -118.2 | -26.3 | 0 | 0 | 0 | 118.5 | Y940 N941 | Y940-Y1022 VanDerWaalsContact CB-CD2 3.4Å; Y940-Y1022 AromaticContact CD1-CD2 3.76Å; Y940-Y1022 HydrophobicContact CD1-CD2 3.76Å; Y940-Y1022 HydrophobicContact CD1-CE1 4.24Å; Y940-Y1022 AromaticContact CD1-CE2 3.25Å; Y940-Y1022 HydrophobicContact CD1-CE2 3.25Å; Y940-Y1022 HydrophobicContact CD1-CG 4.4Å; Y940-Y1022 AromaticContact CD1-CZ 3.5Å; Y940-Y1022 VanDerWaalsContact CD1-CZ 3.5Å; Y940-Y1022 AromaticContact CD2-CD2 3.4Å; Y940-Y1022 HydrophobicContact CD2-CD2 3.4Å; Y940-Y1022 VanDerWaalsContact CD2-CD2 3.4Å; Y940-Y1022 AromaticContact CD2-CE2 3.72Å; Y940-Y1022 HydrophobicContact CD2-CE2 3.72Å; Y940-Y1022 HydrophobicContact CD2-CG 4.11Å; Y940-Y1022 HydrophobicContact CE1-CD2 4.31Å; Y940-Y1022 AromaticContact CE1-CE2 3.59Å; Y940-Y1022 HydrophobicContact CE1-CE2 3.59Å; Y940-Y1022 AromaticContact CE2-CD2 3.99Å; Y940-Y1022 HydrophobicContact CE2-CD2 3.99Å; Y940-Y1022 HydrophobicContact CE2-CE2 4.02Å; Y940-Y1022 HydrophobicContact CG-CD1 4.27Å; Y940-Y1022 AromaticContact CG-CD2 3.26Å; Y940-Y1022 HydrophobicContact CG-CD2 3.26Å; Y940-Y1022 HydrophobicContact CG-CE1 4.31Å; Y940-Y1022 AromaticContact CG-CE2 3.32Å; Y940-Y1022 HydrophobicContact CG-CE2 3.32Å; Y940-Y1022 AromaticContact CG-CG 3.73Å; Y940-Y1022 HydrophobicContact CG-CG 3.73Å; Y940-Y1022 AromaticContact CG-CZ 3.84Å; Y940-Y1022 AromaticContact CZ-CE2 3.96Å; Y940-Y1022 WeakPolarHBondContact O-CA 3.49Å; Y940-Y1022 PolarHBondContact O-N 2.04Å; Y940-Y1022 VanDerWaalsContact O-N 3.1Å; N941-Y1022 HydrophobicContact CB-CE1 3.97Å | ||
| 1023 | R | 21.5 | Very low | 24.8 | Very low | 219 Ų | 219 | 133.9 Ų | 133.9 | 83% | 0.826 | 72% | 0.723 | S | S | * | * | trans | -55.9 | 160.7 | 158.8 | -72.1 | -177.5 | 174.3 | -179.8 | -0.1 | 114 | ||||
| 1024 | C | 21.8 | Very low | 24.7 | Very low | 100 Ų | 100 | 135.3 Ų | 135.3 | 68% | 0.676 | 72% | 0.724 | S | S | * | * | trans | 68.7 | 145.2 | 156.9 | -67.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1025 | E | 21.3 | Very low | 24.6 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 78% | 0.776 | 72% | 0.716 | S | S | * | * | cis | -155.2 | 177.9 | -0.4 | -130.1 | 156.5 | -133.3 | 0 | 0 | 111.4 | ||||
| 1026 | C | 22.6 | Very low | 24.5 | Very low | 104 Ų | 104 | 138.3 Ų | 138.3 | 70% | 0.703 | 72% | 0.723 | S | S | * | * | trans | -33 | 152.5 | 168.6 | -52.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1027 | L | 24 | Very low | 24.5 | Very low | 135 Ų | 135 | 139.7 Ų | 139.7 | 71% | 0.707 | 73% | 0.727 | S | S | * | * | -170.7 | 144.8 | 66.8 | -82.2 | 166.2 | 0 | 0 | 0 | 112.7 | |||||
| 1028 | F | 25.7 | Very low | 24.5 | Very low | 198 Ų | 198 | 135.4 Ų | 135.4 | 87% | 0.868 | 73% | 0.726 | S | S | * | * | trans | 55.9 | 128.5 | 162.5 | -51.9 | -61.3 | 0 | 0 | 0 | 119.5 | ||||
| 1029 | G | 28.1 | Very low | 24.7 | Very low | 63 Ų | 63 | 135.3 Ų | 135.3 | 65% | 0.649 | 74% | 0.738 | S | S | * | * | cis | 170.9 | 136.3 | -9.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1030 | W | 23.6 | Very low | 25 | Very low | 248 Ų | 248 | 134.5 Ų | 134.5 | 94% | 0.939 | 75% | 0.753 | S | S | * | * | trans | 56.9 | 96.4 | 137.3 | -72.9 | 53.2 | 0 | 0 | 0 | 121 | ||||
| 1031 | S | 23.9 | Very low | 24.5 | Very low | 107 Ų | 107 | 136.5 Ų | 136.5 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | 53.2 | 133.8 | 118.4 | 64.8 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 1032 | G | 25.5 | Very low | 24.3 | Very low | 68 Ų | 68 | 141.4 Ų | 141.4 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | 152.6 | 85.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1033 | I | 25.8 | Very low | 24.1 | Very low | 157 Ų | 157 | 139.8 Ų | 139.8 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | 68.1 | 105.4 | 87 | -58.7 | 166 | 0 | 0 | 0 | 114.9 | |||||
| 1034 | H | 23.1 | Very low | 24.3 | Very low | 178 Ų | 178 | 134.3 Ų | 134.3 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | -168.4 | 168.8 | 128.2 | -123.6 | -88 | 0 | 0 | 0 | 113.4 | |||||
| 1035 | C | 22.4 | Very low | 24.4 | Very low | 103 Ų | 103 | 134.2 Ų | 134.2 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | trans | -86.4 | 173.4 | -171.8 | -45.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1036 | E | 20.6 | Very low | 24.8 | Very low | 188 Ų | 188 | 130 Ų | 130 | 88% | 0.879 | 74% | 0.743 | S | S | * | * | trans | 68 | 130.5 | 166.3 | -73.9 | -178.8 | -174.8 | 0 | 0 | 116.4 | ||||
| 1037 | V | 23 | Very low | 25 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | cis | -144.9 | 138.2 | 2.5 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1038 | S | 23.3 | Very low | 25 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | trans | 169.1 | 141.1 | 139.1 | 37.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 1039 | T | 25.6 | Very low | 24.9 | Very low | 146 Ų | 146 | 125 Ų | 125 | 90% | 0.896 | 72% | 0.72 | S | S | * | * | trans | 41.2 | 120.4 | 154.4 | 55.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1040 | G | 27.8 | Very low | 24.8 | Very low | 78 Ų | 78 | 128.2 Ų | 128.2 | 80% | 0.804 | 72% | 0.72 | S | S | * | * | trans | 175.9 | 129 | 159.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1041 | L | 27.9 | Very low | 25 | Very low | 129 Ų | 129 | 120.8 Ų | 120.8 | 68% | 0.675 | 70% | 0.698 | S | S | * | * | trans | -96.3 | 164.2 | 170.4 | -94.3 | 81.2 | 0 | 0 | 0 | 111.4 | ||||
| 1042 | Y | 25.5 | Very low | 25.2 | Very low | 207 Ų | 207 | 124.7 Ų | 124.7 | 81% | 0.812 | 70% | 0.698 | S | S | * | * | trans | -10.6 | 132.8 | 164.8 | -69.1 | -97.7 | 0 | 0 | 0 | 117.2 | ||||
| 1043 | C | 23 | Very low | 25.3 | Very low | 109 Ų | 109 | 126.3 Ų | 126.3 | 74% | 0.736 | 70% | 0.695 | S | S | * | * | 60.8 | 141.6 | 59.4 | -55.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1044 | D | 25.9 | Very low | 25.3 | Very low | 105 Ų | 105 | 125.9 Ų | 125.9 | 56% | 0.561 | 69% | 0.694 | S | S | * | * | cis | -118.7 | -178.4 | 12.3 | -114.3 | -54.2 | 0 | 0 | 0 | 110.8 | ||||
| 1045 | V | 22.9 | Very low | 25.5 | Very low | 98 Ų | 98 | 121.8 Ų | 121.8 | 59% | 0.594 | 69% | 0.685 | S | S | * | * | S | Bend | cis | -154.7 | 156.1 | 45 | -133 | 0 | 0 | 0 | 0 | 110.1 | ||
| 1046 | P | 30.8 | Very low | 25.7 | Very low | 76 Ų | 76 | 119.5 Ų | 119.5 | 49% | 0.494 | 67% | 0.665 | S | S | . | * | -134.1 | 176.4 | -59.3 | 42 | -29.6 | 0 | 0 | 0 | 114.3 | |||||
| 1047 | K | 25.6 | Very low | 26.1 | Very low | 98 Ų | 98 | 113.8 Ų | 113.8 | 43% | 0.426 | 64% | 0.641 | S | S | . | * | trans | 67.3 | 133.7 | 153.7 | -78.1 | 171.5 | 179 | 164.9 | 0 | 120 | S1885 | K1047-S1885 PolarHBondContact NZ-O 3.43Š| ||
| 1048 | L | 24.6 | Very low | 26.2 | Very low | 137 Ų | 137 | 113.2 Ų | 113.2 | 72% | 0.717 | 64% | 0.643 | S | S | * | * | trans | 70.8 | 108.1 | 161.1 | -60.1 | 161.2 | 0 | 0 | 0 | 114.9 | ||||
| 1049 | C | 24.5 | Very low | 26.5 | Very low | 98 Ų | 98 | 114.3 Ų | 114.3 | 66% | 0.662 | 64% | 0.638 | S | S | * | * | 61.5 | 124.5 | 61.5 | -47.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1050 | M | 26.1 | Very low | 26.4 | Very low | 130 Ų | 130 | 112.1 Ų | 112.1 | 64% | 0.64 | 62% | 0.624 | S | S | * | * | cis | -158 | 139.6 | 43.8 | -87.8 | -175.9 | 143.6 | 0 | 0 | 114.5 | Q677 | Q677-M1050 PolarHBondContact NE2-O 2.76Å; Q677-M1050 VanDerWaalsContact OE1-C 3.28Å; Q677-M1050 PolarHBondContact OE1-O 3.21Å | ||
| 1051 | D | 27.3 | Very low | 26.3 | Very low | 92 Ų | 92 | 116.8 Ų | 116.8 | 49% | 0.492 | 62% | 0.622 | S | S | . | * | 69.8 | 156.6 | 128.4 | -57.9 | -8.1 | 0 | 0 | 0 | 120.4 | Q677 | Q677-D1051 PolarHBondContact NE2-O 3.43Š| |||
| 1052 | Y | 27.7 | Very low | 26.2 | Very low | 189 Ų | 189 | 116.7 Ų | 116.7 | 74% | 0.741 | 62% | 0.623 | S | S | * | * | cis | -156.3 | 155.5 | -2.4 | -126.6 | -164.2 | 0 | 0 | 0 | 114.5 | ||||
| 1053 | T | 27.9 | Very low | 26.3 | Very low | 102 Ų | 102 | 112.4 Ų | 112.4 | 63% | 0.626 | 62% | 0.621 | S | S | * | * | trans | 48.6 | 113.6 | 148.2 | 57.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1054 | N | 26.2 | Very low | 26.7 | Very low | 148 Ų | 148 | 112.5 Ų | 112.5 | 79% | 0.791 | 62% | 0.621 | S | S | * | * | 40.2 | 148.1 | 98.2 | -56.3 | -5.4 | 0 | 0 | 0 | 118.8 | |||||
| 1055 | C | 26.2 | Very low | 26.8 | Very low | 93 Ų | 93 | 112.7 Ų | 112.7 | 63% | 0.628 | 63% | 0.629 | S | S | * | * | cis | -175.3 | -177.1 | 41.7 | -151.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1056 | N | 27.6 | Very low | 27.7 | Very low | 54 Ų | 54 | 114.4 Ų | 114.4 | 29% | 0.289 | 64% | 0.64 | S | S | . | * | trans | 77.8 | 145.6 | 156.7 | -71.3 | 43.9 | 0 | 0 | 0 | 119.5 | Q997 | Q997-N1056 HydrophobicContact CG-CB 3.56Å; Q997-N1056 WeakPolarHBondContact CG-O 3.48Å | ||
| 1057 | D | 28.4 | Very low | 27.7 | Very low | 69 Ų | 69 | 119.9 Ų | 119.9 | 37% | 0.369 | 66% | 0.656 | S | S | . | * | cis | -159.6 | 164.9 | -19 | -68.7 | -50.4 | 0 | 0 | 0 | 111.3 | Q997 M1059 | Q997-D1057 VanDerWaalsContact NE2-CB 3.32Å; Q997-D1057 PolarHBondContact NE2-OD2 2.73Å; D1057-M1059 HydrophobicContact CB-CE 4.14Å; D1057-M1059 HydrophobicContact CB-CG 3.87Å; D1057-M1059 HydrophobicContact CB-SD 3.98Å; D1057-M1059 VanDerWaalsContact OD2-CE 3.24Å; D1057-M1059 WeakPolarHBondContact OD2-CE 3.37Å | ||
| 1058 | S | 25.2 | Very low | 27.9 | Very low | 115 Ų | 115 | 121.4 Ų | 121.4 | 80% | 0.804 | 68% | 0.676 | S | S | * | * | -148.6 | 133.1 | 124 | 62.5 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1059 | M | 29.1 | Very low | 28.6 | Very low | 128 Ų | 128 | 117.9 Ų | 117.9 | 63% | 0.631 | 67% | 0.673 | S | S | * | * | cis | 89.2 | 125.9 | 25.9 | -67 | 176.9 | 162.8 | 0 | 0 | 116.4 | D1057 | D1057-M1059 HydrophobicContact CB-CE 4.14Å; D1057-M1059 HydrophobicContact CB-CG 3.87Å; D1057-M1059 HydrophobicContact CB-SD 3.98Å; D1057-M1059 VanDerWaalsContact OD2-CE 3.24Å; D1057-M1059 WeakPolarHBondContact OD2-CE 3.37Å | ||
| 1060 | T | 25.2 | Very low | 28.6 | Very low | 99 Ų | 99 | 120.8 Ų | 120.8 | 61% | 0.607 | 67% | 0.671 | S | S | * | * | cis | -174.4 | 157.7 | -28.8 | 10.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1061 | F | 24.6 | Very low | 28.7 | Very low | 176 Ų | 176 | 118.4 Ų | 118.4 | 77% | 0.772 | 67% | 0.666 | S | S | * | * | trans | 67.7 | 153.8 | 159 | -62.6 | -51.8 | 0 | 0 | 0 | 118.8 | ||||
| 1062 | N | 25.9 | Very low | 28.9 | Very low | 128 Ų | 128 | 118 Ų | 118 | 68% | 0.684 | 68% | 0.683 | S | S | * | * | cis | -160.8 | 135.3 | -4.2 | -122.3 | -22.8 | 0 | 0 | 0 | 112.8 | ||||
| 1063 | C | 26.6 | Very low | 28.9 | Very low | 116 Ų | 116 | 112.7 Ų | 112.7 | 78% | 0.784 | 67% | 0.674 | S | S | * | * | trans | 53.7 | 170.7 | 159.7 | -57 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1064 | P | 32.6 | Very low | 28.8 | Very low | 111 Ų | 111 | 115.1 Ų | 115.1 | 72% | 0.721 | 68% | 0.683 | S | S | * | * | cis | -124.6 | -175.7 | -20.4 | 42.4 | -28.2 | 0 | 0 | 0 | 113.6 | ||||
| 1065 | C | 27.6 | Very low | 28.7 | Very low | 109 Ų | 109 | 111.4 Ų | 111.4 | 74% | 0.736 | 67% | 0.668 | S | S | * | * | trans | 59.1 | 129.6 | 153.5 | -67.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1066 | T | 42.6 | Very low | 29.1 | Very low | 134 Ų | 134 | 111.2 Ų | 111.2 | 82% | 0.822 | 66% | 0.661 | S | S | * | * | trans | 67.7 | 146 | 173.8 | 76.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1067 | K | 30.6 | Very low | 29.4 | Very low | 191 Ų | 191 | 115.3 Ų | 115.3 | 83% | 0.83 | 68% | 0.676 | S | S | * | * | cis | -149.2 | 150.3 | -19.5 | -115.5 | -179.8 | 178.9 | -176.2 | 0 | 106.5 | ||||
| 1068 | P | 30.1 | Very low | 29.7 | Very low | 130 Ų | 130 | 121.5 Ų | 121.5 | 84% | 0.844 | 70% | 0.7 | S | S | * | * | trans | -76.4 | 164.9 | -171.5 | 33.3 | -37 | 0 | 0 | 0 | 112.8 | ||||
| 1069 | G | 38.2 | Very low | 30.6 | Very low | 63 Ų | 63 | 118.4 Ų | 118.4 | 65% | 0.649 | 69% | 0.687 | S | S | * | * | cis | 144.8 | 113.9 | -3.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1070 | Y | 24.9 | Very low | 30.8 | Very low | 160 Ų | 160 | 117.2 Ų | 117.2 | 63% | 0.627 | 69% | 0.687 | S | S | * | * | trans | -134 | 157.8 | 171.1 | -85.1 | -58.8 | 0 | 0 | 0 | 109.4 | L1243 | Y1070-L1243 HydrophobicContact CD1-CD1 4.33Å; Y1070-L1243 HydrophobicContact CD1-CD2 3.74Å; Y1070-L1243 HydrophobicContact CD2-CD1 4.11Å; Y1070-L1243 HydrophobicContact CE1-CD1 3.9Å; Y1070-L1243 HydrophobicContact CE1-CD2 3.33Å; Y1070-L1243 HydrophobicContact CE1-CG 4.26Å; Y1070-L1243 HydrophobicContact CE2-CD1 3.63Å; Y1070-L1243 HydrophobicContact CG-CD1 4.43Å | ||
| 1071 | C | 27.3 | Very low | 30.7 | Very low | 80 Ų | 80 | 120.6 Ų | 120.6 | 54% | 0.541 | 70% | 0.695 | S | S | . | * | S | Bend | trans | 57.9 | 93.3 | -174.5 | -67.9 | 0 | 0 | 0 | 0 | 115.9 | S1073 | C1071-S1073 PolarHBondContact O-N 3.44Š|
| 1072 | G | 33 | Very low | 30.8 | Very low | 82 Ų | 82 | 117.2 Ų | 117.2 | 85% | 0.845 | 69% | 0.693 | S | S | * | * | S | Bend | trans | 83.4 | -25.7 | 137 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 1073 | S | 27.5 | Very low | 30.8 | Very low | 79 Ų | 79 | 120.1 Ų | 120.1 | 55% | 0.552 | 70% | 0.699 | S | S | * | * | trans | -66 | 151.4 | 176.3 | 65.3 | 0 | 0 | 0 | 0 | 112.5 | C1071 C1075 K1077 | C1071-S1073 PolarHBondContact O-N 3.44Å; S1073-C1075 PolarHBondContact O-N 2.88Å; S1073-C1075 VanDerWaalsContact O-N 3.15Å; S1073-K1077 PolarHBondContact O-NZ 3.12Å | ||
| 1074 | D | 24.9 | Very low | 30.8 | Very low | 152 Ų | 152 | 119.9 Ų | 119.9 | 81% | 0.813 | 69% | 0.694 | S | S | * | * | S | Bend | trans | 3.6 | 88.7 | 168.1 | -63.4 | -79.4 | 0 | 0 | 0 | 116.7 | K1077 | D1074-K1077 PolarHBondContact O-NZ 2.75Š|
| 1075 | C | 25.1 | Very low | 30.5 | Very low | 70 Ų | 70 | 122 Ų | 122 | 47% | 0.473 | 69% | 0.692 | S | S | . | * | -143.2 | -171 | 102.8 | -130.7 | 0 | 0 | 0 | 0 | 104.1 | S1073 K1077 | S1073-C1075 PolarHBondContact O-N 2.88Å; S1073-C1075 VanDerWaalsContact O-N 3.15Å; C1075-K1077 VanDerWaalsContact C-CB 3.49Å; C1075-K1077 HydrophobicContact CB-CB 4.29Å; C1075-K1077 HydrophobicContact CB-CD 3.84Å; C1075-K1077 HydrophobicContact CB-CG 3.82Å | |||
| 1076 | N | 34.9 | Very low | 30.7 | Very low | 90 Ų | 90 | 121.8 Ų | 121.8 | 48% | 0.481 | 69% | 0.688 | S | S | . | * | cis | 61 | 47.9 | 12.9 | -74.7 | -9.8 | 0 | 0 | 0 | 116.8 | F1078 G1079 | N1076-F1078 VanDerWaalsContact C-CA 3.47Å; N1076-G1079 PolarHBondContact ND2-O 2.97Å; N1076-G1079 WeakPolarHBondContact OD1-CA 3.49Å; N1076-G1079 PolarHBondContact OD1-N 2.67Å | ||
| 1077 | K | 34 | Very low | 29.9 | Very low | 140 Ų | 140 | 117.4 Ų | 117.4 | 61% | 0.609 | 66% | 0.66 | S | S | * | * | S | Bend | cis | 37.2 | 47.2 | 1.9 | -38.6 | 155.7 | -164.5 | 143.2 | 0 | 115.5 | S1073 D1074 C1075 | S1073-K1077 PolarHBondContact O-NZ 3.12Å; D1074-K1077 PolarHBondContact O-NZ 2.75Å; C1075-K1077 VanDerWaalsContact C-CB 3.49Å; C1075-K1077 HydrophobicContact CB-CB 4.29Å; C1075-K1077 HydrophobicContact CB-CD 3.84Å; C1075-K1077 HydrophobicContact CB-CG 3.82Å |
| 1078 | F | 33.7 | Very low | 30 | Very low | 198 Ų | 198 | 117.1 Ų | 117.1 | 87% | 0.868 | 66% | 0.658 | S | S | * | * | S | Bend | cis | -122.7 | -16.9 | 11.4 | -93 | -85.3 | 0 | 0 | 0 | 116.2 | N1076 T1080 | N1076-F1078 VanDerWaalsContact C-CA 3.47Å; F1078-T1080 VanDerWaalsContact C-N 3.29Å; F1078-T1080 PolarHBondContact O-N 2.99Å |
| 1079 | G | 43.8 | Very low | 29.7 | Very low | 51 Ų | 51 | 116.9 Ų | 116.9 | 53% | 0.526 | 66% | 0.659 | S | S | . | * | trans | -76 | 49.8 | -163 | 0 | 0 | 0 | 0 | 0 | 117.7 | N1076 E1081 | N1076-G1079 PolarHBondContact ND2-O 2.97Å; N1076-G1079 WeakPolarHBondContact OD1-CA 3.49Å; N1076-G1079 PolarHBondContact OD1-N 2.67Å; G1079-E1081 PolarHBondContact O-N 2.87Å | ||
| 1080 | T | 34.3 | Very low | 29.3 | Very low | 103 Ų | 103 | 117.4 Ų | 117.4 | 63% | 0.632 | 65% | 0.653 | S | S | * | * | trans | -63.6 | 134.8 | 166.6 | 39.5 | 0 | 0 | 0 | 0 | 111.8 | F1078 | F1078-T1080 VanDerWaalsContact C-N 3.29Å; F1078-T1080 PolarHBondContact O-N 2.99Å | ||
| 1081 | E | 22.5 | Very low | 29.1 | Very low | 169 Ų | 169 | 113.6 Ų | 113.6 | 79% | 0.79 | 65% | 0.65 | S | S | * | * | trans | -30.3 | 147.1 | 152.5 | -54.1 | 174.2 | 123.1 | 0 | 0 | 114.6 | G1079 | G1079-E1081 PolarHBondContact O-N 2.87Š| ||
| 1082 | C | 26.5 | Very low | 29 | Very low | 106 Ų | 106 | 115.2 Ų | 115.2 | 72% | 0.716 | 65% | 0.652 | S | S | * | * | S | Bend | 35.6 | 139.3 | 129.2 | -53.6 | 0 | 0 | 0 | 0 | 120.4 | |||
| 1083 | F | 25.4 | Very low | 28.5 | Very low | 188 Ų | 188 | 115.2 Ų | 115.2 | 83% | 0.825 | 64% | 0.636 | S | S | * | * | trans | 75.7 | 134.2 | -177.4 | -58.2 | -90.4 | 0 | 0 | 0 | 111.9 | ||||
| 1084 | V | 27.6 | Very low | 28.4 | Very low | 111 Ų | 111 | 118 Ų | 118 | 67% | 0.673 | 64% | 0.644 | S | S | * | * | 65.6 | 92.2 | 54.2 | -179.5 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1085 | F | 26.3 | Very low | 28.3 | Very low | 155 Ų | 155 | 119.3 Ų | 119.3 | 68% | 0.68 | 64% | 0.643 | S | S | * | * | trans | 68.5 | 165.6 | 162.2 | -67.1 | -137 | 0 | 0 | 0 | 112.9 | V1093 | F1085-V1093 HydrophobicContact CE1-CG2 4.08Å; F1085-V1093 HydrophobicContact CZ-CG2 4.46Å | ||
| 1086 | T | 31.8 | Very low | 28.3 | Very low | 106 Ų | 106 | 122 Ų | 122 | 65% | 0.65 | 65% | 0.651 | S | S | * | * | cis | -151.5 | 123.9 | 4.8 | -10.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1087 | N | 26.6 | Very low | 27.8 | Very low | 42 Ų | 42 | 123 Ų | 123 | 23% | 0.225 | 66% | 0.66 | C | S | . | * | 36.2 | 107.5 | 119.8 | -33.6 | -0.3 | 0 | 0 | 0 | 118.5 | S1091 | N1087-S1091 WeakPolarHBondContact CB-O 3.06Å; N1087-S1091 PolarHBondContact ND2-O 2.97Å; N1087-S1091 PolarHBondContact OD1-OG 2.99Å | |||
| 1088 | K | 31.5 | Very low | 27.5 | Very low | 185 Ų | 185 | 121.1 Ų | 121.1 | 80% | 0.804 | 66% | 0.661 | S | S | * | * | S | Bend | 168.6 | 120.7 | 114.7 | -90.3 | 159.8 | -176.5 | 178.8 | 0 | 111.4 | |||
| 1089 | S | 23.9 | Very low | 27 | Very low | 124 Ų | 124 | 118.4 Ų | 118.4 | 87% | 0.867 | 66% | 0.655 | S | S | * | * | S | Bend | cis | -79.5 | 129.1 | -3.5 | 48.4 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1090 | S | 29.2 | Very low | 26 | Very low | 74 Ų | 74 | 124.1 Ų | 124.1 | 52% | 0.517 | 67% | 0.673 | S | S | . | * | cis | 167 | 80.2 | -26.3 | 42.1 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 1091 | S | 21.9 | Very low | 25.8 | Very low | 80 Ų | 80 | 124.2 Ų | 124.2 | 56% | 0.559 | 68% | 0.675 | S | S | * | * | trans | -51.6 | 135.8 | 137.5 | 39.8 | 0 | 0 | 0 | 0 | 108.2 | N1087 | N1087-S1091 WeakPolarHBondContact CB-O 3.06Å; N1087-S1091 PolarHBondContact ND2-O 2.97Å; N1087-S1091 PolarHBondContact OD1-OG 2.99Å | ||
| 1092 | I | 24.7 | Very low | 25.8 | Very low | 114 Ų | 114 | 123.3 Ų | 123.3 | 59% | 0.585 | 68% | 0.675 | S | S | * | * | trans | -141.3 | 91.5 | 153.8 | -66 | -171 | 0 | 0 | 0 | 102.5 | ||||
| 1093 | V | 23 | Very low | 25.6 | Very low | 83 Ų | 83 | 122.2 Ų | 122.2 | 50% | 0.503 | 67% | 0.668 | S | S | . | * | 55.5 | 77.5 | 98.7 | -176.1 | 0 | 0 | 0 | 0 | 111.1 | F1085 | F1085-V1093 HydrophobicContact CE1-CG2 4.08Å; F1085-V1093 HydrophobicContact CZ-CG2 4.46Å | |||
| 1094 | N | 25.2 | Very low | 25.7 | Very low | 137 Ų | 137 | 119.8 Ų | 119.8 | 73% | 0.733 | 66% | 0.664 | S | S | * | * | trans | -153.4 | 134.7 | 155.8 | -85.8 | -17.5 | 0 | 0 | 0 | 104.3 | ||||
| 1095 | K | 22.5 | Very low | 25.6 | Very low | 179 Ų | 179 | 120 Ų | 120 | 78% | 0.778 | 67% | 0.665 | S | S | * | * | cis | 55.8 | 106.1 | 5.7 | -159.2 | -154 | 179.6 | -178 | 0 | 114.6 | ||||
| 1096 | I | 25.4 | Very low | 25.5 | Very low | 126 Ų | 126 | 118.7 Ų | 118.7 | 65% | 0.646 | 67% | 0.67 | S | S | * | * | trans | 61.7 | 124.4 | -175.4 | -17.3 | -179.5 | 0 | 0 | 0 | 109.2 | ||||
| 1097 | T | 23.2 | Very low | 25.4 | Very low | 111 Ų | 111 | 120.6 Ų | 120.6 | 68% | 0.681 | 68% | 0.675 | S | S | * | * | -156.8 | 142.7 | 53.3 | 37.6 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 1098 | T | 27.7 | Very low | 25.4 | Very low | 102 Ų | 102 | 123.8 Ų | 123.8 | 63% | 0.626 | 70% | 0.696 | S | S | * | * | 29.7 | 111.7 | 97.6 | 64 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1099 | D | 25.1 | Very low | 25.2 | Very low | 140 Ų | 140 | 120.6 Ų | 120.6 | 75% | 0.749 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 50.1 | 120.7 | 134.4 | -40.1 | -46.4 | 0 | 0 | 0 | 120.2 | ||
| 1100 | L | 22.9 | Very low | 25.4 | Very low | 172 Ų | 172 | 121.5 Ų | 121.5 | 90% | 0.901 | 69% | 0.685 | S | S | * | * | trans | 69 | 174.6 | 141.5 | -72.7 | 165.2 | 0 | 0 | 0 | 116.6 | ||||
| 1101 | P | 28.6 | Very low | 25.2 | Very low | 104 Ų | 104 | 123 Ų | 123 | 68% | 0.675 | 69% | 0.691 | S | S | * | * | trans | -118.9 | -166.6 | -151.1 | 43.3 | -35 | 0 | 0 | 0 | 116.2 | ||||
| 1102 | I | 22.5 | Very low | 25.4 | Very low | 151 Ų | 151 | 124.8 Ų | 124.8 | 77% | 0.774 | 70% | 0.699 | S | S | * | * | trans | 92.3 | 107.8 | 157.5 | -65.9 | 161.8 | 0 | 0 | 0 | 118.8 | ||||
| 1103 | S | 23.3 | Very low | 25.5 | Very low | 83 Ų | 83 | 125.6 Ų | 125.6 | 58% | 0.58 | 71% | 0.71 | S | S | * | * | trans | 20.5 | 142.1 | 146.3 | 72.1 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1104 | N | 26.5 | Very low | 25.5 | Very low | 137 Ų | 137 | 126.2 Ų | 126.2 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | 177.1 | 126.4 | 112.3 | -84.7 | -36.7 | 0 | 0 | 0 | 109.2 | |||||
| 1105 | T | 25.3 | Very low | 25.4 | Very low | 115 Ų | 115 | 124.2 Ų | 124.2 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | 59.8 | 143.6 | 66.2 | 79 | 0 | 0 | 0 | 0 | 113 | |||||
| 1106 | V | 25.5 | Very low | 25.5 | Very low | 127 Ų | 127 | 121.7 Ų | 121.7 | 77% | 0.77 | 71% | 0.714 | S | S | * | * | cis | -149.2 | -167.8 | 25.3 | -167.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1107 | I | 28.1 | Very low | 25.5 | Very low | 147 Ų | 147 | 123.1 Ų | 123.1 | 75% | 0.754 | 72% | 0.723 | S | S | * | * | trans | 89.8 | 115.5 | 158.4 | -64.8 | 166.5 | 0 | 0 | 0 | 115.3 | ||||
| 1108 | T | 28.2 | Very low | 25.6 | Very low | 109 Ų | 109 | 123.7 Ų | 123.7 | 67% | 0.669 | 73% | 0.727 | S | S | * | * | cis | -159.3 | 161.9 | 3.8 | 7.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 1109 | T | 27.1 | Very low | 25.3 | Very low | 118 Ų | 118 | 124.4 Ų | 124.4 | 72% | 0.724 | 73% | 0.731 | S | S | * | * | trans | 68.7 | 134.3 | 149.1 | 49 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1110 | I | 26.8 | Very low | 25.3 | Very low | 142 Ų | 142 | 123.3 Ų | 123.3 | 73% | 0.728 | 73% | 0.729 | S | S | * | * | cis | -161.6 | 152.4 | -7.1 | -132 | 173.8 | 0 | 0 | 0 | 113.9 | ||||
| 1111 | T | 25.9 | Very low | 25.2 | Very low | 105 Ų | 105 | 121.8 Ų | 121.8 | 64% | 0.644 | 72% | 0.718 | S | S | * | * | trans | 61.7 | 96.7 | 157.3 | 55.8 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 1112 | T | 25.1 | Very low | 25 | Very low | 119 Ų | 119 | 123.3 Ų | 123.3 | 73% | 0.73 | 72% | 0.72 | S | S | * | * | 65.5 | 147.9 | 111.8 | 60.4 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 1113 | T | 27.6 | Very low | 25.1 | Very low | 131 Ų | 131 | 121 Ų | 121 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | trans | 78.7 | 141.4 | 162.1 | 66.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1114 | S | 23.8 | Very low | 25.3 | Very low | 95 Ų | 95 | 125.4 Ų | 125.4 | 66% | 0.664 | 72% | 0.724 | S | S | * | * | cis | -172.1 | 139.6 | -25.6 | 48.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1115 | S | 23.5 | Very low | 25.2 | Very low | 96 Ų | 96 | 124.8 Ų | 124.8 | 67% | 0.671 | 72% | 0.715 | S | S | * | * | trans | 43 | 136.9 | 147 | 62.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1116 | T | 24.1 | Very low | 25 | Very low | 126 Ų | 126 | 127 Ų | 127 | 77% | 0.773 | 72% | 0.715 | S | S | * | * | trans | 69.8 | 154 | 157.9 | 58.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1117 | N | 24.9 | Very low | 25 | Very low | 155 Ų | 155 | 127.5 Ų | 127.5 | 83% | 0.829 | 71% | 0.709 | S | S | * | * | trans | 73.2 | 153.6 | 167.4 | -66.3 | -6.7 | 0 | 0 | 0 | 119.4 | ||||
| 1118 | T | 25.1 | Very low | 24.8 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 76% | 0.755 | 71% | 0.708 | S | S | * | * | trans | -78 | 164.4 | 177.1 | 47.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1119 | V | 22.3 | Very low | 24.6 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 71% | 0.709 | 71% | 0.712 | S | S | * | * | trans | 67.2 | 133.3 | 174.4 | -140.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 1120 | T | 23.4 | Very low | 24.4 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 72% | 0.718 | 72% | 0.721 | S | S | * | * | -147.5 | 154.5 | 50.9 | 48.7 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 1121 | Q | 22.3 | Very low | 24.5 | Very low | 141 Ų | 141 | 131.1 Ų | 131.1 | 66% | 0.659 | 72% | 0.724 | S | S | * | * | 51.3 | 114 | 70.9 | -94.9 | 176.4 | 1.2 | 0 | 0 | 111 | |||||
| 1122 | N | 23.6 | Very low | 24.5 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | 77.4 | 162.8 | 93 | -76.2 | 4.9 | 0 | 0 | 0 | 115 | |||||
| 1123 | D | 25.8 | Very low | 24.7 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 55% | 0.545 | 73% | 0.734 | S | S | . | * | trans | 67.9 | 82.1 | 153.1 | -65.8 | -31 | 0 | 0 | 0 | 117.6 | K1125 | D1123-K1125 HydrophobicContact CB-CD 4.5Å; D1123-K1125 HydrophobicContact CB-CG 3.82Å; D1123-K1125 VanDerWaalsContact CB-NZ 3.25Å; D1123-K1125 WeakPolarHBondContact O-CD 3.5Å; D1123-K1125 WeakPolarHBondContact O-CG 3.09Å; D1123-K1125 PolarHBondContact O-NZ 2.72Å | ||
| 1124 | I | 26.3 | Very low | 25.4 | Very low | 176 Ų | 176 | 133.6 Ų | 133.6 | 90% | 0.903 | 73% | 0.733 | S | S | * | * | -104.9 | 86.6 | 117.2 | -60.9 | -176.9 | 0 | 0 | 0 | 106.8 | |||||
| 1125 | K | 23.9 | Very low | 25.7 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 54% | 0.539 | 74% | 0.744 | S | S | . | * | 82.3 | 125.6 | 66.9 | -77.1 | 173.8 | 176.2 | 67.2 | 0 | 114.8 | D1123 | D1123-K1125 HydrophobicContact CB-CD 4.5Å; D1123-K1125 HydrophobicContact CB-CG 3.82Å; D1123-K1125 VanDerWaalsContact CB-NZ 3.25Å; D1123-K1125 WeakPolarHBondContact O-CD 3.5Å; D1123-K1125 WeakPolarHBondContact O-CG 3.09Å; D1123-K1125 PolarHBondContact O-NZ 2.72Å | |||
| 1126 | K | 22.9 | Very low | 25.7 | Very low | 162 Ų | 162 | 144.1 Ų | 144.1 | 70% | 0.704 | 76% | 0.756 | S | S | * | * | trans | 75 | 132.7 | 138.8 | -69.1 | 175 | 173.4 | -177.3 | 0 | 116.3 | ||||
| 1127 | H | 23.7 | Very low | 25.9 | Very low | 138 Ų | 138 | 143.1 Ų | 143.1 | 64% | 0.639 | 75% | 0.751 | S | S | * | * | cis | 174 | 165.6 | 18.3 | -115.2 | -29.3 | 0 | 0 | 0 | 108.1 | ||||
| 1128 | K | 24.1 | Very low | 25.9 | Very low | 168 Ų | 168 | 138.4 Ų | 138.4 | 73% | 0.73 | 74% | 0.739 | S | S | * | * | trans | 68.4 | 100.2 | 150.3 | -69.9 | 171.9 | -179.9 | -172.2 | 0 | 117 | ||||
| 1129 | T | 24.7 | Very low | 25.9 | Very low | 125 Ų | 125 | 139.9 Ų | 139.9 | 77% | 0.767 | 74% | 0.738 | S | S | * | * | 67.7 | 108.5 | 69.9 | 69.1 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1130 | M | 22.1 | Very low | 26.1 | Very low | 184 Ų | 184 | 141 Ų | 141 | 91% | 0.906 | 74% | 0.735 | S | S | * | * | 178.2 | 118.5 | 125.1 | -104 | -179 | 166.3 | 0 | 0 | 111 | |||||
| 1131 | S | 29.4 | Very low | 26.3 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | 161 | 114.6 | 128.2 | -72.1 | 0 | 0 | 0 | 0 | 112 | |||||
| 1132 | N | 26.6 | Very low | 26.5 | Very low | 154 Ų | 154 | 141.4 Ų | 141.4 | 82% | 0.824 | 74% | 0.737 | S | S | * | * | trans | 39.3 | 124 | 148.9 | -68.3 | 6.7 | 0 | 0 | 0 | 122.3 | ||||
| 1133 | V | 28.5 | Very low | 26.7 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 82.4 | 145.2 | 141.7 | 176.8 | 0 | 0 | 0 | 0 | 117.5 | ||
| 1134 | T | 41.6 | Very low | 27.2 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | trans | 49 | 77.1 | 172 | 47.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1135 | L | 31.3 | Very low | 27.1 | Very low | 170 Ų | 170 | 141.2 Ų | 141.2 | 89% | 0.89 | 74% | 0.737 | S | S | * | * | trans | -164.1 | 58.5 | 162.8 | -110.3 | 161.8 | 0 | 0 | 0 | 110.3 | ||||
| 1136 | W | 24.1 | Very low | 27.1 | Very low | 243 Ų | 243 | 141 Ų | 141 | 92% | 0.92 | 75% | 0.75 | S | S | * | * | trans | -154 | 148.4 | 179.6 | -104.4 | 54.1 | 0 | 0 | 0 | 106.9 | ||||
| 1137 | P | 27.4 | Very low | 28.3 | Very low | 104 Ų | 104 | 138 Ų | 138 | 68% | 0.675 | 74% | 0.741 | S | S | * | * | cis | -83.9 | -160.5 | -27.2 | 25.7 | -5.6 | 0 | 0 | 0 | 107.5 | ||||
| 1138 | G | 25 | Very low | 28.2 | Very low | 56 Ų | 56 | 137.8 Ų | 137.8 | 58% | 0.577 | 73% | 0.734 | S | S | * | * | cis | 74.1 | 149.7 | 23.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1139 | E | 24.5 | Very low | 28.2 | Very low | 154 Ų | 154 | 134.7 Ų | 134.7 | 72% | 0.72 | 72% | 0.722 | S | S | * | * | trans | 56 | 149.8 | 145.2 | -67.3 | 136.3 | 169.3 | 0 | 0 | 121 | ||||
| 1140 | E | 26.9 | Very low | 28.2 | Very low | 140 Ų | 140 | 135.6 Ų | 135.6 | 65% | 0.654 | 72% | 0.723 | S | S | * | * | trans | 43.2 | 97.2 | 139 | -63 | 155.4 | -153.9 | 0 | 0 | 116.1 | ||||
| 1141 | T | 26.8 | Very low | 28.3 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 76% | 0.761 | 71% | 0.706 | S | S | * | * | -149.2 | 120.7 | 73.2 | 9.9 | 0 | 0 | 0 | 0 | 113 | L1143 | T1141-L1143 PolarHBondContact O-N 3.07Š| |||
| 1142 | E | 27.9 | Very low | 28 | Very low | 143 Ų | 143 | 131.6 Ų | 131.6 | 67% | 0.668 | 70% | 0.697 | S | S | * | * | 44.5 | 78.7 | 123.5 | -60 | -170.4 | 126.7 | 0 | 0 | 117.6 | Y1145 | E1142-Y1145 HydrophobicContact CG-CE2 4.48Š| |||
| 1143 | L | 28 | Very low | 28 | Very low | 167 Ų | 167 | 129 Ų | 129 | 87% | 0.874 | 68% | 0.683 | S | S | * | * | S | Bend | -164.4 | 117.8 | 123.6 | -124.3 | 69.3 | 0 | 0 | 0 | 108.6 | T1141 | T1141-L1143 PolarHBondContact O-N 3.07Š| |
| 1144 | S | 36.1 | Very low | 27.8 | Very low | 108 Ų | 108 | 131.2 Ų | 131.2 | 76% | 0.755 | 68% | 0.683 | S | S | * | * | S | Bend | cis | -169.9 | 135.2 | -14 | 44.4 | 0 | 0 | 0 | 0 | 110.1 | ||
| 1145 | Y | 23 | Very low | 27.4 | Very low | 134 Ų | 134 | 132.1 Ų | 132.1 | 53% | 0.525 | 68% | 0.675 | S | S | . | * | -153.1 | 156.2 | -64.1 | -140.6 | -85.9 | 0 | 0 | 0 | 108.6 | E1142 L1147 | E1142-Y1145 HydrophobicContact CG-CE2 4.48Å; Y1145-L1147 WeakPolarHBondContact O-CB 3.28Å; Y1145-L1147 PolarHBondContact O-N 2.72Å | |||
| 1146 | C | 23.9 | Very low | 27 | Very low | 121 Ų | 121 | 131 Ų | 131 | 82% | 0.818 | 67% | 0.665 | S | S | * | * | trans | 55.6 | -130.8 | 162.9 | -168.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1147 | L | 49 | Very low | 27.8 | Very low | 97 Ų | 97 | 126.3 Ų | 126.3 | 51% | 0.508 | 66% | 0.658 | S | S | . | * | trans | 37.2 | 120.4 | 146.2 | -58.9 | 159.5 | 0 | 0 | 0 | 117.2 | Y1145 Q1152 | Y1145-L1147 WeakPolarHBondContact O-CB 3.28Å; Y1145-L1147 PolarHBondContact O-N 2.72Å; L1147-Q1152 HydrophobicContact CD1-CG 4.5Å | ||
| 1148 | R | 22.5 | Very low | 27.7 | Very low | 134 Ų | 134 | 125 Ų | 125 | 51% | 0.506 | 66% | 0.664 | S | S | . | * | cis | 36.5 | 120.7 | 29.5 | -161.6 | -166.2 | 178.8 | -173.3 | 2.5 | 114.6 | E462 | E462-R1148 IonicContact OE1-CZ 3Å; E462-R1148 IonicContact OE1-NH1 2.73Å; E462-R1148 PolarHBondContact OE1-NH1 2.78Å; E462-R1148 IonicContact OE2-CZ 3.98Å; E462-R1148 VanDerWaalsContact OE2-CZ 3.23Å; E462-R1148 IonicContact OE2-NH1 2.67Å; E462-R1148 PolarHBondContact OE2-NH1 3.47Å; E462-R1148 IonicContact OE2-NH2 3.1Å; E462-R1148 PolarHBondContact OE2-NH2 2.97Å | ||
| 1149 | E | 23.6 | Very low | 27.7 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 48% | 0.481 | 67% | 0.667 | S | S | . | * | trans | 75.8 | 79.5 | -168.8 | -44.5 | -147.9 | 143.6 | 0 | 0 | 107.5 | C1151 | E1149-C1151 CarbonylContact C-O 3.43Å; E1149-C1151 CarbonylContact O-C 3.39Å | ||
| 1150 | N | 23.3 | Very low | 27.6 | Very low | 144 Ų | 144 | 128.1 Ų | 128.1 | 77% | 0.77 | 67% | 0.667 | S | S | * | * | S | Bend | 47.6 | 77.8 | 50.6 | -22.1 | -28.2 | 0 | 0 | 0 | 106.5 | |||
| 1151 | C | 24.9 | Very low | 27.5 | Very low | 83 Ų | 83 | 124.6 Ų | 124.6 | 56% | 0.561 | 65% | 0.652 | S | S | * | * | S | Bend | trans | 63 | 113.7 | -148.8 | -141.9 | 0 | 0 | 0 | 0 | 111.7 | E1149 L1153 | E1149-C1151 CarbonylContact C-O 3.43Å; E1149-C1151 CarbonylContact O-C 3.39Å; C1151-L1153 HydrophobicContact CB-CG 4.05Å; C1151-L1153 PolarHBondContact O-N 3.31Å |
| 1152 | Q | 22.8 | Very low | 27.4 | Very low | 131 Ų | 131 | 123.7 Ų | 123.7 | 61% | 0.612 | 64% | 0.635 | S | S | * | * | trans | -62.8 | 89 | 132.1 | -98.2 | -141.8 | 3.7 | 0 | 0 | 105.8 | L1147 K1154 | L1147-Q1152 HydrophobicContact CD1-CG 4.5Å; Q1152-K1154 PolarHBondContact O-N 3.45Å | ||
| 1153 | L | 27.3 | Very low | 27.2 | Very low | 101 Ų | 101 | 120 Ų | 120 | 53% | 0.529 | 62% | 0.618 | S | S | . | * | trans | -62.8 | 79.7 | 147.1 | -86.7 | 180 | 0 | 0 | 0 | 107.1 | C1151 K1155 | C1151-L1153 HydrophobicContact CB-CG 4.05Å; C1151-L1153 PolarHBondContact O-N 3.31Å; L1153-K1155 HydrophobicContact CB-CD 4.32Å; L1153-K1155 HydrophobicContact CB-CG 4.07Å; L1153-K1155 HydrophobicContact CD1-CD 4.43Å; L1153-K1155 HydrophobicContact CD1-CG 4.29Å; L1153-K1155 HydrophobicContact CD2-CG 4.28Å; L1153-K1155 HydrophobicContact CG-CG 4.46Å; L1153-K1155 PolarHBondContact O-N 3.12Å | ||
| 1154 | K | 23.2 | Very low | 27.4 | Very low | 170 Ų | 170 | 117.7 Ų | 117.7 | 74% | 0.739 | 62% | 0.615 | S | S | * | * | -62.8 | 67.3 | 126.1 | -74.2 | -175.7 | 177.7 | 175.6 | 0 | 108.3 | Q1152 H1156 | Q1152-K1154 PolarHBondContact O-N 3.45Å; K1154-H1156 PolarHBondContact O-N 3.37Å | |||
| 1155 | K | 33.2 | Very low | 27 | Very low | 147 Ų | 147 | 115.2 Ų | 115.2 | 64% | 0.639 | 59% | 0.593 | S | S | * | * | trans | -34.4 | 120.5 | 137.5 | -87.8 | 156 | 173.5 | 158.8 | 0 | 106.2 | L1153 | L1153-K1155 HydrophobicContact CB-CD 4.32Å; L1153-K1155 HydrophobicContact CB-CG 4.07Å; L1153-K1155 HydrophobicContact CD1-CD 4.43Å; L1153-K1155 HydrophobicContact CD1-CG 4.29Å; L1153-K1155 HydrophobicContact CD2-CG 4.28Å; L1153-K1155 HydrophobicContact CG-CG 4.46Å; L1153-K1155 PolarHBondContact O-N 3.12Å | ||
| 1156 | H | 23.2 | Very low | 27.3 | Very low | 146 Ų | 146 | 115.5 Ų | 115.5 | 68% | 0.676 | 60% | 0.603 | S | S | * | * | S | Bend | trans | 69.2 | 148.4 | 172.4 | -62.6 | -67.8 | 0 | 0 | 0 | 117.6 | K1154 | K1154-H1156 PolarHBondContact O-N 3.37Š|
| 1157 | N | 40.6 | Very low | 27.4 | Very low | 145 Ų | 145 | 116.7 Ų | 116.7 | 78% | 0.775 | 60% | 0.599 | S | S | * | * | trans | 36.3 | 101.8 | 132 | -42.7 | -7.3 | 0 | 0 | 0 | 114.2 | ||||
| 1158 | G | 26.7 | Very low | 26.4 | Very low | 77 Ų | 77 | 115.8 Ų | 115.8 | 79% | 0.794 | 61% | 0.606 | S | S | * | * | 75.4 | 123.2 | 63.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 1159 | R | 24 | Very low | 26.5 | Very low | 168 Ų | 168 | 115 Ų | 115 | 63% | 0.634 | 62% | 0.62 | S | S | * | * | cis | -163.9 | 131.2 | 37.7 | 178.8 | -164.1 | -145.4 | 156.6 | 10.3 | 111.1 | S795 | S795-R1159 PolarHBondContact O-NH1 2.86Å; S795-R1159 VanDerWaalsContact O-NH1 3.15Å | ||
| 1160 | C | 23.6 | Very low | 26.5 | Very low | 107 Ų | 107 | 116.9 Ų | 116.9 | 72% | 0.723 | 63% | 0.633 | S | S | * | * | trans | -165.1 | 161 | 151.9 | -120.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1161 | D | 24 | Very low | 26.8 | Very low | 66 Ų | 66 | 118.7 Ų | 118.7 | 35% | 0.353 | 64% | 0.635 | S | S | . | * | trans | -152.9 | 158.5 | -150.6 | -66.8 | -89.8 | 0 | 0 | 0 | 110.4 | L1187 S1188 | D1161-L1187 VanDerWaalsContact CB-O 3.26Å; D1161-L1187 WeakPolarHBondContact CB-O 3.31Å; D1161-L1187 CarbonylContact O-C 3.59Å; D1161-S1188 WeakPolarHBondContact O-CA 3.5Å; D1161-S1188 VanDerWaalsContact O-CB 3.23Å; D1161-S1188 WeakPolarHBondContact O-CB 3.45Å; D1161-S1188 PolarHBondContact O-N 2.84Å; D1161-S1188 VanDerWaalsContact O-N 3.15Å | ||
| 1162 | R | 25.6 | Very low | 26.8 | Very low | 105 Ų | 105 | 119.7 Ų | 119.7 | 40% | 0.396 | 63% | 0.634 | S | S | . | * | cis | 176.3 | 171.5 | -18.3 | -165.9 | 167.7 | -159.4 | -122.5 | 11.4 | 105.6 | P1183 L1184 N1185 P1186 L1187 | R1162-P1183 PolarHBondContact NH1-O 2.98Å; R1162-P1183 PolarHBondContact NH2-O 3.3Å; R1162-L1184 VanDerWaalsContact NH1-N 3.15Å; R1162-L1184 PolarHBondContact NH1-O 2.91Å; R1162-N1185 WeakPolarHBondContact CD-O 3.19Å; R1162-N1185 PolarHBondContact NH1-O 2.78Å; R1162-P1186 VanDerWaalsContact C-CA 3.49Å; R1162-P1186 WeakPolarHBondContact O-CA 3.42Å; R1162-L1187 PolarHBondContact O-N 3.37Å | ||
| 1163 | E | 23.7 | Very low | 27 | Very low | 65 Ų | 65 | 117.9 Ų | 117.9 | 30% | 0.304 | 63% | 0.626 | S | S | . | * | trans | 70.9 | 123 | -153.1 | -98.9 | 162.7 | -152.4 | 0 | 0 | 110.8 | R777 D1165 N1185 P1186 | R777-E1163 IonicContact CZ-OE1 3.06Å; R777-E1163 IonicContact CZ-OE2 3.15Å; R777-E1163 IonicContact NE-OE1 3.96Å; R777-E1163 IonicContact NH2-OE1 3.99Å; R777-E1163 PolarHBondContact NH2-OE1 2.78Å; R777-E1163 IonicContact NH2-OE2 2.88Å; R777-E1163 PolarHBondContact NH2-OE2 2.98Å; E1163-D1165 WeakPolarHBondContact CA-OD2 3.42Å; E1163-D1165 PolarHBondContact N-OD2 3.06Å; E1163-N1185 HydrophobicContact CG-CB 3.8Å; E1163-N1185 VanDerWaalsContact CG-ND2 3.33Å; E1163-N1185 WeakPolarHBondContact CG-ND2 3.2Å; E1163-N1185 WeakPolarHBondContact OE1-CB 3.37Å; E1163-N1185 PolarHBondContact OE1-ND2 3.25Å; E1163-P1186 HydrophobicContact CB-CB 3.69Å; E1163-P1186 HydrophobicContact CG-CB 3.57Å; E1163-P1186 WeakPolarHBondContact OE1-CB 2.97Å | ||
| 1164 | C | 30.3 | Very low | 27 | Very low | 120 Ų | 120 | 113 Ų | 113 | 81% | 0.811 | 60% | 0.6 | S | S | * | * | S | Bend | cis | -141.2 | 152.2 | 0.1 | -51.6 | 0 | 0 | 0 | 0 | 111.9 | ||
| 1165 | D | 27.7 | Very low | 27.1 | Very low | 55 Ų | 55 | 108.1 Ų | 108.1 | 29% | 0.294 | 58% | 0.582 | S | S | . | * | -158.7 | 158.9 | -74 | -108.7 | -47.6 | 0 | 0 | 0 | 110.3 | E1163 L1184 N1185 | E1163-D1165 WeakPolarHBondContact CA-OD2 3.42Å; E1163-D1165 PolarHBondContact N-OD2 3.06Å; D1165-L1184 HydrophobicContact CB-CB 3.89Å; D1165-L1184 HydrophobicContact CB-CD1 4.09Å; D1165-L1184 HydrophobicContact CB-CD2 3.81Å; D1165-L1184 HydrophobicContact CB-CG 4.09Å; D1165-N1185 PolarHBondContact OD2-N 3.25Å | |||
| 1166 | L | 30.8 | Very low | 26.6 | Very low | 140 Ų | 140 | 101.8 Ų | 101.8 | 73% | 0.733 | 56% | 0.556 | S | S | * | * | trans | -89.3 | 127.4 | -156.1 | -59.4 | 79.2 | 0 | 0 | 0 | 116.5 | L1184 | L1166-L1184 HydrophobicContact CB-CD2 4.05Å; L1166-L1184 HydrophobicContact CD1-CD2 4.26Å; L1166-L1184 WeakPolarHBondContact O-CD1 3.01Å; L1166-L1184 WeakPolarHBondContact O-CD2 3.5Å | ||
| 1167 | I | 25.6 | Very low | 26.6 | Very low | 146 Ų | 146 | 98.6 Ų | 98.6 | 75% | 0.749 | 54% | 0.544 | S | S | * | . | trans | -149.9 | 137.8 | 162.6 | -58.2 | -178.3 | 0 | 0 | 0 | 107.5 | L1184 | I1167-L1184 HydrophobicContact CG1-CD1 4.15Š| ||
| 1168 | A | 27 | Very low | 25.9 | Very low | 79 Ų | 79 | 99.9 Ų | 99.9 | 65% | 0.653 | 54% | 0.539 | S | S | * | . | cis | -168.9 | 166.4 | -24.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1169 | C | 25.8 | Very low | 25.9 | Very low | 118 Ų | 118 | 99.3 Ų | 99.3 | 80% | 0.797 | 53% | 0.527 | S | S | * | . | trans | 69.8 | 132.5 | 167.2 | -57.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1170 | D | 23.6 | Very low | 26.3 | Very low | 141 Ų | 141 | 99 Ų | 99 | 75% | 0.754 | 54% | 0.537 | S | S | * | . | cis | 66.5 | 139 | 25.2 | -63.8 | -41.3 | 0 | 0 | 0 | 114.9 | ||||
| 1171 | F | 30 | Very low | 26.2 | Very low | 183 Ų | 183 | 98.3 Ų | 98.3 | 80% | 0.803 | 53% | 0.533 | S | S | * | . | S | Bend | 70.9 | 104.8 | 50.9 | -99.7 | -78.1 | 0 | 0 | 0 | 113.6 | |||
| 1172 | D | 25 | Very low | 26 | Very low | 104 Ų | 104 | 100.1 Ų | 100.1 | 56% | 0.556 | 55% | 0.546 | S | S | * | . | trans | 56.2 | 157.1 | -179.5 | -96.1 | -57.9 | 0 | 0 | 0 | 114.7 | K620 G1174 | K620-D1172 IonicContact NZ-OD1 3.45Å; K620-D1172 PolarHBondContact NZ-OD1 3.43Å; D1172-G1174 WeakPolarHBondContact OD1-CA 3.19Å | ||
| 1173 | H | 26.5 | Very low | 25.9 | Very low | 92 Ų | 92 | 98.8 Ų | 98.8 | 43% | 0.426 | 55% | 0.552 | S | S | . | * | -138.8 | 152.2 | 56.2 | -79.7 | -71.5 | 0 | 0 | 0 | 113.3 | L631 D1175 C1176 | L631-H1173 HydrophobicContact CD2-CB 4.16Å; H1173-D1175 PolarHBondContact CE1-O 2.83Å; H1173-D1175 VanDerWaalsContact ND1-C 3.26Å; H1173-D1175 PolarHBondContact ND1-O 3.36Å; H1173-C1176 PolarHBondContact CE1-SG 3.14Å; H1173-C1176 PolarHBondContact ND1-N 3.19Å; H1173-C1176 PolarHBondContact NE2-SG 2.89Å | |||
| 1174 | G | 27.6 | Very low | 25.9 | Very low | 0 Ų | 0 | 97.1 Ų | 97.1 | 0% | 0 | 54% | 0.544 | C | S | . | . | S | Bend | cis | 87.6 | -179.3 | -19.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | L631 E633 D1172 C1176 | L631-G1174 WeakPolarHBondContact CD2-O 3.34Å; E633-G1174 PolarHBondContact OE1-N 3.4Å; D1172-G1174 WeakPolarHBondContact OD1-CA 3.19Å; G1174-C1176 PolarHBondContact O-N 3.1Å |
| 1175 | D | 23.9 | Very low | 25.5 | Very low | 66 Ų | 66 | 93.4 Ų | 93.4 | 35% | 0.353 | 52% | 0.516 | S | S | . | . | trans | -65 | 89.3 | -176.6 | -74.9 | -62.3 | 0 | 0 | 0 | 112.9 | P619 K620 H1173 | P619-D1175 WeakPolarHBondContact CA-OD1 3.44Å; K620-D1175 WeakPolarHBondContact CA-OD1 3.38Å; K620-D1175 VanDerWaalsContact CA-OD2 3.25Å; K620-D1175 WeakPolarHBondContact CA-OD2 3.49Å; K620-D1175 PolarHBondContact N-OD1 2.91Å; K620-D1175 PolarHBondContact N-OD2 2.99Å; H1173-D1175 PolarHBondContact CE1-O 2.83Å; H1173-D1175 VanDerWaalsContact ND1-C 3.26Å; H1173-D1175 PolarHBondContact ND1-O 3.36Å | ||
| 1176 | C | 22.8 | Very low | 25.5 | Very low | 15 Ų | 15 | 91.3 Ų | 91.3 | 10% | 0.101 | 51% | 0.506 | C | S | . | . | trans | -80.7 | 144.6 | 132.4 | -98.3 | 0 | 0 | 0 | 0 | 106 | F622 T623 L631 H1173 G1174 | F622-C1176 CarbonylContact C-O 3.32Å; F622-C1176 VanDerWaalsContact O-O 3.11Å; T623-C1176 VanDerWaalsContact CB-O 3.27Å; T623-C1176 WeakPolarHBondContact CB-O 3.36Å; L631-C1176 HydrophobicContact CD1-CB 3.4Å; L631-C1176 VanDerWaalsContact CD1-CB 3.4Å; L631-C1176 HydrophobicContact CD2-CB 3.66Å; L631-C1176 HydrophobicContact CG-CB 4.17Å; H1173-C1176 PolarHBondContact CE1-SG 3.14Å; H1173-C1176 PolarHBondContact ND1-N 3.19Å; H1173-C1176 PolarHBondContact NE2-SG 2.89Å; G1174-C1176 PolarHBondContact O-N 3.1Å | ||
| 1177 | L | 23.3 | Very low | 25.4 | Very low | 78 Ų | 78 | 88.4 Ų | 88.4 | 41% | 0.408 | 49% | 0.491 | S | S | . | . | cis | 29.6 | 85 | -0.9 | -69.4 | 179.9 | 0 | 0 | 0 | 118.6 | T623 | T623-L1177 WeakPolarHBondContact OG1-CA 3.5Å; T623-L1177 PolarHBondContact OG1-N 2.88Å | ||
| 1178 | Y | 26.9 | Very low | 25.4 | Very low | 172 Ų | 172 | 83.5 Ų | 83.5 | 68% | 0.675 | 47% | 0.469 | S | S | * | . | S | Bend | trans | 60.8 | 98.1 | 143.3 | -84.4 | -96.6 | 0 | 0 | 0 | 120.5 | ||
| 1179 | A | 26.6 | Very low | 25.4 | Very low | 65 Ų | 65 | 87.9 Ų | 87.9 | 54% | 0.537 | 47% | 0.47 | S | S | . | . | 73.3 | 107.8 | 120.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 1180 | L | 31.5 | Very low | 25.4 | Very low | 161 Ų | 161 | 87.8 Ų | 87.8 | 84% | 0.843 | 46% | 0.461 | S | S | * | . | 83.7 | 100.5 | 70.4 | -74.9 | 163 | 0 | 0 | 0 | 116 | |||||
| 1181 | S | 21.3 | Very low | 25.9 | Very low | 93 Ų | 93 | 87.9 Ų | 87.9 | 65% | 0.65 | 46% | 0.456 | S | S | * | . | trans | 30.4 | 122.4 | 131.5 | 62.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1182 | V | 21 | Very low | 26 | Very low | 104 Ų | 104 | 84.5 Ų | 84.5 | 63% | 0.63 | 45% | 0.453 | S | S | * | . | trans | 69.6 | 148.6 | 143.5 | 178.6 | 0 | 0 | 0 | 0 | 116.5 | L1184 | V1182-L1184 HydrophobicContact CG2-CD1 4.36Š| ||
| 1183 | P | 23.3 | Very low | 25.9 | Very low | 78 Ų | 78 | 85.9 Ų | 85.9 | 51% | 0.506 | 46% | 0.46 | S | S | . | . | cis | -100.4 | 167.5 | -2.1 | -3.2 | 27.5 | 0 | 0 | 0 | 113.4 | R1162 | R1162-P1183 PolarHBondContact NH1-O 2.98Å; R1162-P1183 PolarHBondContact NH2-O 3.3Å | ||
| 1184 | L | 23.1 | Very low | 26.4 | Very low | 29 Ų | 29 | 86.5 Ų | 86.5 | 15% | 0.152 | 48% | 0.481 | C | S | . | . | cis | 75.2 | 132 | 17.4 | -40.1 | -167.5 | 0 | 0 | 0 | 116.7 | R1162 D1165 L1166 I1167 V1182 | R1162-L1184 VanDerWaalsContact NH1-N 3.15Å; R1162-L1184 PolarHBondContact NH1-O 2.91Å; D1165-L1184 HydrophobicContact CB-CB 3.89Å; D1165-L1184 HydrophobicContact CB-CD1 4.09Å; D1165-L1184 HydrophobicContact CB-CD2 3.81Å; D1165-L1184 HydrophobicContact CB-CG 4.09Å; L1166-L1184 HydrophobicContact CB-CD2 4.05Å; L1166-L1184 HydrophobicContact CD1-CD2 4.26Å; L1166-L1184 WeakPolarHBondContact O-CD1 3.01Å; L1166-L1184 WeakPolarHBondContact O-CD2 3.5Å; I1167-L1184 HydrophobicContact CG1-CD1 4.15Å; V1182-L1184 HydrophobicContact CG2-CD1 4.36Å | ||
| 1185 | N | 22.3 | Very low | 26.9 | Very low | 42 Ų | 42 | 90.5 Ų | 90.5 | 23% | 0.225 | 51% | 0.509 | C | S | . | . | trans | 66.2 | 159.5 | 175.8 | -46.3 | 45.4 | 0 | 0 | 0 | 116.5 | F776 R1162 E1163 D1165 | F776-N1185 HydrophobicContact CE1-CB 3.99Å; R1162-N1185 WeakPolarHBondContact CD-O 3.19Å; R1162-N1185 PolarHBondContact NH1-O 2.78Å; E1163-N1185 HydrophobicContact CG-CB 3.8Å; E1163-N1185 VanDerWaalsContact CG-ND2 3.33Å; E1163-N1185 WeakPolarHBondContact CG-ND2 3.2Å; E1163-N1185 WeakPolarHBondContact OE1-CB 3.37Å; E1163-N1185 PolarHBondContact OE1-ND2 3.25Å; D1165-N1185 PolarHBondContact OD2-N 3.25Å | ||
| 1186 | P | 28.5 | Very low | 26.9 | Very low | 11 Ų | 11 | 93.3 Ų | 93.3 | 7% | 0.071 | 52% | 0.524 | C | S | . | . | -138 | 173.1 | -53.3 | 43.9 | -30.9 | 0 | 0 | 0 | 116.2 | N779 R1162 E1163 | N779-P1186 PolarHBondContact ND2-O 3.41Å; R1162-P1186 VanDerWaalsContact C-CA 3.49Å; R1162-P1186 WeakPolarHBondContact O-CA 3.42Å; E1163-P1186 HydrophobicContact CB-CB 3.69Å; E1163-P1186 HydrophobicContact CG-CB 3.57Å; E1163-P1186 WeakPolarHBondContact OE1-CB 2.97Å | |||
| 1187 | L | 28 | Very low | 27 | Very low | 80 Ų | 80 | 95.7 Ų | 95.7 | 42% | 0.419 | 54% | 0.535 | S | S | . | . | trans | 71.5 | 131.8 | 163 | -52.3 | 170.3 | 0 | 0 | 0 | 118.1 | D1161 R1162 | D1161-L1187 VanDerWaalsContact CB-O 3.26Å; D1161-L1187 WeakPolarHBondContact CB-O 3.31Å; D1161-L1187 CarbonylContact O-C 3.59Å; R1162-L1187 PolarHBondContact O-N 3.37Å | ||
| 1188 | S | 25.8 | Very low | 27.1 | Very low | 42 Ų | 42 | 98 Ų | 98 | 29% | 0.294 | 55% | 0.548 | S | S | . | . | cis | 111.9 | 151.3 | 6.5 | 78.6 | 0 | 0 | 0 | 0 | 115.2 | D1161 | D1161-S1188 WeakPolarHBondContact O-CA 3.5Å; D1161-S1188 VanDerWaalsContact O-CB 3.23Å; D1161-S1188 WeakPolarHBondContact O-CB 3.45Å; D1161-S1188 PolarHBondContact O-N 2.84Å; D1161-S1188 VanDerWaalsContact O-N 3.15Å | ||
| 1189 | Y | 25.8 | Very low | 27 | Very low | 171 Ų | 171 | 91.8 Ų | 91.8 | 67% | 0.671 | 53% | 0.53 | S | S | * | . | trans | 75.5 | 116.4 | 175.2 | -76.7 | -88.2 | 0 | 0 | 0 | 116.8 | ||||
| 1190 | I | 27.6 | Very low | 27 | Very low | 117 Ų | 117 | 95.9 Ų | 95.9 | 60% | 0.6 | 54% | 0.542 | S | S | * | . | cis | 67.2 | 114.6 | 37.7 | -46.4 | 159.3 | 0 | 0 | 0 | 108.8 | ||||
| 1191 | E | 33.3 | Very low | 26.8 | Very low | 142 Ų | 142 | 95.1 Ų | 95.1 | 66% | 0.664 | 53% | 0.53 | S | S | * | . | cis | -157.9 | -172.2 | 12.8 | -144.1 | 174.2 | -116.1 | 0 | 0 | 108.9 | L1193 | E1191-L1193 WeakPolarHBondContact OE2-CG 3.31Å; E1191-L1193 PolarHBondContact OE2-N 3.29Å | ||
| 1192 | P | 31.1 | Very low | 26.9 | Very low | 113 Ų | 113 | 95.7 Ų | 95.7 | 73% | 0.734 | 53% | 0.525 | S | S | * | . | -154.1 | 114.5 | 80.1 | 36.1 | -13 | 0 | 0 | 0 | 117 | |||||
| 1193 | L | 24.1 | Very low | 27.1 | Very low | 133 Ų | 133 | 93 Ų | 93 | 70% | 0.696 | 51% | 0.507 | S | S | * | . | trans | 39.7 | 138.7 | 146.1 | -91.4 | 168.9 | 0 | 0 | 0 | 123.5 | E1191 S1195 | E1191-L1193 WeakPolarHBondContact OE2-CG 3.31Å; E1191-L1193 PolarHBondContact OE2-N 3.29Å; L1193-S1195 VanDerWaalsContact C-N 3.32Å; L1193-S1195 PolarHBondContact O-N 2.97Å | ||
| 1194 | A | 36.3 | Very low | 27.2 | Very low | 105 Ų | 105 | 96.5 Ų | 96.5 | 87% | 0.868 | 52% | 0.522 | S | S | * | . | S | Bend | trans | 59.9 | 33.3 | 147 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1195 | S | 39.3 | Very low | 27.6 | Very low | 84 Ų | 84 | 101 Ų | 101 | 59% | 0.587 | 55% | 0.546 | S | S | * | . | trans | -137.5 | 133.8 | -176.3 | 56.3 | 0 | 0 | 0 | 0 | 112 | L1193 | L1193-S1195 VanDerWaalsContact C-N 3.32Å; L1193-S1195 PolarHBondContact O-N 2.97Å | ||
| 1196 | N | 23.6 | Very low | 28 | Very low | 124 Ų | 124 | 103 Ų | 103 | 66% | 0.663 | 56% | 0.56 | S | S | * | * | 12.9 | 132.8 | 118.7 | -64.1 | 65.9 | 0 | 0 | 0 | 116.5 | |||||
| 1197 | D | 25.3 | Very low | 27.9 | Very low | 65 Ų | 65 | 105 Ų | 105 | 35% | 0.348 | 57% | 0.574 | S | S | . | * | cis | -161.6 | 143.4 | 7.5 | -109.2 | -22.8 | 0 | 0 | 0 | 113.3 | I792 | I792-D1197 HydrophobicContact CG2-CB 4Å; I792-D1197 WeakPolarHBondContact CG2-O 3.31Å | ||
| 1198 | N | 24.5 | Very low | 27.9 | Very low | 128 Ų | 128 | 108.2 Ų | 108.2 | 68% | 0.684 | 59% | 0.587 | S | S | * | * | trans | 56.9 | -179.1 | 136.8 | -60.3 | -32.2 | 0 | 0 | 0 | 119.7 | ||||
| 1199 | S | 25.6 | Very low | 28.1 | Very low | 40 Ų | 40 | 115 Ų | 115 | 28% | 0.28 | 61% | 0.607 | S | S | . | * | trans | 73.1 | 58.5 | 151.3 | 22.2 | 0 | 0 | 0 | 0 | 115.3 | I792 Y1201 | I792-S1199 PolarHBondContact O-OG 2.84Å; I792-S1199 VanDerWaalsContact O-OG 3.09Å; S1199-Y1201 VanDerWaalsContact CA-N 3.31Å; S1199-Y1201 PolarHBondContact O-N 2.94Å | ||
| 1200 | N | 25.8 | Very low | 28.1 | Very low | 151 Ų | 151 | 113.8 Ų | 113.8 | 81% | 0.807 | 61% | 0.61 | S | S | * | * | S | Bend | -49.4 | 86.7 | 103.8 | -147.1 | 19.4 | 0 | 0 | 0 | 107.3 | D1202 | N1200-D1202 VanDerWaalsContact O-CB 3.25Å; N1200-D1202 WeakPolarHBondContact O-CB 3.48Å; N1200-D1202 PolarHBondContact O-N 3.12Å | |
| 1201 | Y | 27.1 | Very low | 27.9 | Very low | 146 Ų | 146 | 114.5 Ų | 114.5 | 57% | 0.573 | 62% | 0.615 | S | S | * | * | trans | -62.1 | 98.7 | 159.1 | -110.9 | -89.4 | 0 | 0 | 0 | 101.2 | S1199 | S1199-Y1201 VanDerWaalsContact CA-N 3.31Å; S1199-Y1201 PolarHBondContact O-N 2.94Å | ||
| 1202 | D | 23.5 | Very low | 27.6 | Very low | 104 Ų | 104 | 117.7 Ų | 117.7 | 56% | 0.556 | 63% | 0.627 | S | S | * | * | 46.3 | 142.7 | 55.5 | -91.8 | -8.5 | 0 | 0 | 0 | 109.2 | N1200 N1204 | N1200-D1202 VanDerWaalsContact O-CB 3.25Å; N1200-D1202 WeakPolarHBondContact O-CB 3.48Å; N1200-D1202 PolarHBondContact O-N 3.12Å; D1202-N1204 PolarHBondContact O-N 2.87Å | |||
| 1203 | D | 24.5 | Very low | 27.2 | Very low | 47 Ų | 47 | 118.3 Ų | 118.3 | 25% | 0.251 | 63% | 0.628 | S | S | . | * | trans | 52.8 | 73.5 | 137.8 | -56.9 | 14.3 | 0 | 0 | 0 | 116.5 | T1206 S1207 | D1203-T1206 HydrophobicContact CB-CG2 4.31Å; D1203-T1206 VanDerWaalsContact CG-CA 3.46Å; D1203-T1206 VanDerWaalsContact CG-N 3.34Å; D1203-T1206 WeakPolarHBondContact OD1-CA 3.12Å; D1203-T1206 PolarHBondContact OD1-N 3.13Å; D1203-T1206 WeakPolarHBondContact OD2-CG2 3.49Å; D1203-S1207 PolarHBondContact OD1-N 2.72Å | ||
| 1204 | N | 25.9 | Very low | 27.4 | Very low | 152 Ų | 152 | 116.6 Ų | 116.6 | 81% | 0.813 | 63% | 0.625 | S | S | * | * | S | Bend | -128.4 | 106.9 | 77.9 | -74.6 | -95.8 | 0 | 0 | 0 | 109.7 | D1202 | D1202-N1204 PolarHBondContact O-N 2.87Š| |
| 1205 | N | 31.4 | Very low | 26.7 | Very low | 123 Ų | 123 | 118.3 Ų | 118.3 | 66% | 0.658 | 62% | 0.619 | S | S | * | * | S | Bend | cis | -146.7 | 116.2 | 13.6 | -97.4 | -31.2 | 0 | 0 | 0 | 116.4 | ||
| 1206 | T | 30.8 | Very low | 26 | Very low | 84 Ų | 84 | 119.2 Ų | 119.2 | 52% | 0.515 | 62% | 0.621 | S | S | . | * | 79.3 | 80.7 | 124.9 | 58.2 | 0 | 0 | 0 | 0 | 117.9 | D1203 | D1203-T1206 HydrophobicContact CB-CG2 4.31Å; D1203-T1206 VanDerWaalsContact CG-CA 3.46Å; D1203-T1206 VanDerWaalsContact CG-N 3.34Å; D1203-T1206 WeakPolarHBondContact OD1-CA 3.12Å; D1203-T1206 PolarHBondContact OD1-N 3.13Å; D1203-T1206 WeakPolarHBondContact OD2-CG2 3.49Å | |||
| 1207 | S | 25.7 | Very low | 25.9 | Very low | 54 Ų | 54 | 120.4 Ų | 120.4 | 38% | 0.378 | 62% | 0.623 | S | S | . | * | 64.2 | 141.1 | 107.7 | 77.4 | 0 | 0 | 0 | 0 | 121.2 | D1203 | D1203-S1207 PolarHBondContact OD1-N 2.72Š| |||
| 1208 | H | 29.2 | Very low | 25.8 | Very low | 148 Ų | 148 | 124 Ų | 124 | 69% | 0.685 | 64% | 0.637 | S | S | * | * | trans | 71.3 | 146.6 | 149.2 | -58 | -27.5 | 0 | 0 | 0 | 117.7 | ||||
| 1209 | Y | 29.8 | Very low | 25.7 | Very low | 185 Ų | 185 | 126.2 Ų | 126.2 | 73% | 0.725 | 64% | 0.643 | S | S | * | * | cis | -146.4 | 140.4 | 14.3 | -118.3 | -54.1 | 0 | 0 | 0 | 113.2 | ||||
| 1210 | M | 26.4 | Very low | 25.8 | Very low | 145 Ų | 145 | 129 Ų | 129 | 71% | 0.714 | 66% | 0.66 | S | S | * | * | trans | 62.1 | 117.8 | 148.3 | -89.7 | 165.9 | -175.4 | 0 | 0 | 122.8 | ||||
| 1211 | N | 22.5 | Very low | 25.6 | Very low | 132 Ų | 132 | 127.8 Ų | 127.8 | 71% | 0.706 | 65% | 0.65 | S | S | * | * | 38.4 | 123.7 | 119.7 | -52.3 | 0.5 | 0 | 0 | 0 | 119.9 | |||||
| 1212 | F | 27.6 | Very low | 25.7 | Very low | 209 Ų | 209 | 125.2 Ų | 125.2 | 92% | 0.917 | 65% | 0.651 | S | S | * | * | -165.8 | 144.6 | 102.4 | -108.5 | -72.9 | 0 | 0 | 0 | 113.6 | |||||
| 1213 | V | 22.1 | Very low | 25.6 | Very low | 125 Ų | 125 | 122.5 Ų | 122.5 | 76% | 0.758 | 64% | 0.643 | S | S | * | * | trans | -92.7 | 152.8 | 163.8 | 159.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 1214 | P | 28.3 | Very low | 25.5 | Very low | 98 Ų | 98 | 124.6 Ų | 124.6 | 64% | 0.636 | 65% | 0.653 | S | S | * | * | cis | -138.4 | -166.8 | 15.4 | 34.4 | -10.7 | 0 | 0 | 0 | 116.2 | ||||
| 1215 | D | 22.6 | Very low | 25.8 | Very low | 140 Ų | 140 | 121 Ų | 121 | 75% | 0.749 | 64% | 0.638 | S | S | * | * | trans | 88.3 | 118.5 | 130.5 | -83.5 | -10.9 | 0 | 0 | 0 | 124.2 | ||||
| 1216 | V | 23.5 | Very low | 25.3 | Very low | 104 Ų | 104 | 125.5 Ų | 125.5 | 63% | 0.63 | 65% | 0.646 | S | S | * | * | 93 | 101.3 | 121.2 | 169.6 | 0 | 0 | 0 | 0 | 121 | |||||
| 1217 | Q | 22.8 | Very low | 25 | Very low | 149 Ų | 149 | 131.2 Ų | 131.2 | 70% | 0.696 | 66% | 0.658 | S | S | * | * | trans | 85.7 | 119.3 | 132.1 | -74.2 | 176.8 | 2.3 | 0 | 0 | 123.9 | ||||
| 1218 | Q | 23.2 | Very low | 24.8 | Very low | 140 Ų | 140 | 134.3 Ų | 134.3 | 65% | 0.654 | 68% | 0.68 | S | S | * | * | 91.6 | 113.6 | 124.5 | -75.2 | 169.7 | 7.1 | 0 | 0 | 122.6 | |||||
| 1219 | H | 22.2 | Very low | 24.4 | Very low | 175 Ų | 175 | 133 Ų | 133 | 81% | 0.81 | 69% | 0.686 | S | S | * | * | trans | 69.1 | 161 | 156 | -57.6 | -59.3 | 0 | 0 | 0 | 117.9 | ||||
| 1220 | P | 27.2 | Very low | 24 | Very low | 97 Ų | 97 | 129.5 Ų | 129.5 | 63% | 0.63 | 69% | 0.688 | S | S | * | * | cis | -129.9 | -175.2 | 4.6 | 43.7 | -27.4 | 0 | 0 | 0 | 116.4 | ||||
| 1221 | E | 21.5 | Very low | 23.9 | Very low | 127 Ų | 127 | 128.9 Ų | 128.9 | 59% | 0.593 | 69% | 0.692 | S | S | * | * | trans | 31.6 | 161.9 | 138.3 | -73.1 | 175.6 | 178 | 0 | 0 | 122.8 | ||||
| 1222 | P | 28.2 | Very low | 23.8 | Very low | 92 Ų | 92 | 129.5 Ų | 129.5 | 60% | 0.597 | 70% | 0.695 | S | S | * | * | cis | -144.7 | -177.3 | -23 | 39.7 | -19.5 | 0 | 0 | 0 | 117.7 | ||||
| 1223 | A | 22.2 | Very low | 23.7 | Very low | 47 Ų | 47 | 127 Ų | 127 | 39% | 0.388 | 69% | 0.69 | S | S | . | * | trans | 86.2 | 122.8 | 135.8 | 0 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 1224 | I | 23.5 | Very low | 23.7 | Very low | 90 Ų | 90 | 127.6 Ų | 127.6 | 46% | 0.462 | 68% | 0.684 | S | S | . | * | trans | 74.9 | 142.1 | 131.2 | -64.9 | 171.5 | 0 | 0 | 0 | 119.4 | N460 | N460-I1224 PolarHBondContact ND2-O 2.9Š| ||
| 1225 | P | 31 | Very low | 23.4 | Very low | 77 Ų | 77 | 129 Ų | 129 | 50% | 0.5 | 68% | 0.682 | S | S | . | * | trans | -116.3 | 162.3 | -164.2 | 41.4 | -30.3 | 0 | 0 | 0 | 116.9 | ||||
| 1226 | W | 21.8 | Very low | 23.5 | Very low | 217 Ų | 217 | 128.7 Ų | 128.7 | 82% | 0.822 | 68% | 0.679 | S | S | * | * | trans | -174.4 | 146.9 | 134.8 | -111.2 | 41.4 | 0 | 0 | 0 | 114.3 | ||||
| 1227 | R | 23.4 | Very low | 23.4 | Very low | 205 Ų | 205 | 130.5 Ų | 130.5 | 77% | 0.774 | 68% | 0.68 | S | S | * | * | trans | 66.7 | 150.5 | 155.3 | -74.4 | -171.8 | 173.4 | -156.5 | -5.1 | 124.3 | ||||
| 1228 | S | 21.3 | Very low | 23.5 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 83% | 0.832 | 68% | 0.683 | S | S | * | * | trans | 85 | 163.8 | 154.7 | -61.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1229 | C | 20.6 | Very low | 23.5 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | trans | -113.5 | 171.2 | -145.3 | -57.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1230 | S | 21.7 | Very low | 23.8 | Very low | 110 Ų | 110 | 127.4 Ų | 127.4 | 77% | 0.769 | 68% | 0.684 | S | S | * | * | trans | 97.6 | 149.9 | 150.4 | 79.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 1231 | V | 23.7 | Very low | 23.5 | Very low | 132 Ų | 132 | 127.2 Ų | 127.2 | 80% | 0.8 | 69% | 0.685 | S | S | * | * | trans | 63.9 | 121.2 | -177.9 | -166.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1232 | L | 22.2 | Very low | 23.5 | Very low | 145 Ų | 145 | 128 Ų | 128 | 76% | 0.759 | 69% | 0.688 | S | S | * | * | cis | 90.8 | 73.5 | 20.7 | -148.5 | 169 | 0 | 0 | 0 | 115.9 | E1234 | L1232-E1234 HydrophobicContact CD2-CG 4.25Š| ||
| 1233 | I | 25.4 | Very low | 23.4 | Very low | 158 Ų | 158 | 127.9 Ų | 127.9 | 81% | 0.81 | 68% | 0.682 | S | S | * | * | trans | -139 | 105.6 | 145.7 | -62.1 | -176.8 | 0 | 0 | 0 | 103.4 | ||||
| 1234 | E | 21.4 | Very low | 23.5 | Very low | 136 Ų | 136 | 131 Ų | 131 | 64% | 0.636 | 69% | 0.692 | S | S | * | * | 64.9 | 134.4 | 80.6 | -71.1 | -144.2 | 123.7 | 0 | 0 | 115.8 | L1232 | L1232-E1234 HydrophobicContact CD2-CG 4.25Š| |||
| 1235 | H | 22.8 | Very low | 23.6 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 59% | 0.593 | 71% | 0.708 | S | S | * | * | trans | 28.3 | 126 | 146.5 | -69.7 | -69.7 | 0 | 0 | 0 | 118.9 | ||||
| 1236 | I | 23.1 | Very low | 23.4 | Very low | 134 Ų | 134 | 135.4 Ų | 135.4 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | cis | 179.2 | 153.3 | 49.7 | -117.4 | 159.2 | 0 | 0 | 0 | 105.1 | ||||
| 1237 | E | 21.5 | Very low | 23.7 | Very low | 141 Ų | 141 | 132 Ų | 132 | 66% | 0.659 | 72% | 0.719 | S | S | * | * | cis | -161.1 | 179.9 | 12.2 | -138.1 | 158.4 | -157.8 | 0 | 0 | 110.1 | ||||
| 1238 | H | 25.6 | Very low | 23.9 | Very low | 163 Ų | 163 | 125.1 Ų | 125.1 | 76% | 0.755 | 71% | 0.712 | S | S | * | * | trans | 55.2 | 106.9 | 157.7 | -63.1 | -46.8 | 0 | 0 | 0 | 121.9 | ||||
| 1239 | T | 23.6 | Very low | 24 | Very low | 127 Ų | 127 | 126.8 Ų | 126.8 | 78% | 0.779 | 71% | 0.712 | S | S | * | * | -62.8 | 154.9 | 128.9 | 53.6 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1240 | P | 27.9 | Very low | 24.1 | Very low | 109 Ų | 109 | 125.9 Ų | 125.9 | 71% | 0.708 | 71% | 0.705 | S | S | * | * | cis | -143.6 | 165.8 | 24.3 | 42.4 | -24 | 0 | 0 | 0 | 118.6 | ||||
| 1241 | C | 20.7 | Very low | 24.3 | Very low | 94 Ų | 94 | 127.5 Ų | 127.5 | 64% | 0.635 | 71% | 0.705 | S | S | * | * | trans | 55.3 | 135.2 | 141.8 | -68.8 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1242 | H | 22 | Very low | 24.6 | Very low | 142 Ų | 142 | 126.9 Ų | 126.9 | 66% | 0.657 | 70% | 0.697 | S | S | * | * | trans | 70.8 | 127.6 | 151.2 | -83.3 | -120.5 | 0 | 0 | 0 | 116 | ||||
| 1243 | L | 26.2 | Very low | 24.6 | Very low | 90 Ų | 90 | 128.9 Ų | 128.9 | 47% | 0.471 | 70% | 0.702 | S | S | . | * | cis | -155.7 | 141.8 | 45.1 | -80.2 | 174.7 | 0 | 0 | 0 | 116.5 | Y1070 | Y1070-L1243 HydrophobicContact CD1-CD1 4.33Å; Y1070-L1243 HydrophobicContact CD1-CD2 3.74Å; Y1070-L1243 HydrophobicContact CD2-CD1 4.11Å; Y1070-L1243 HydrophobicContact CE1-CD1 3.9Å; Y1070-L1243 HydrophobicContact CE1-CD2 3.33Å; Y1070-L1243 HydrophobicContact CE1-CG 4.26Å; Y1070-L1243 HydrophobicContact CE2-CD1 3.63Å; Y1070-L1243 HydrophobicContact CG-CD1 4.43Å | ||
| 1244 | L | 24.9 | Very low | 24.5 | Very low | 114 Ų | 114 | 125.8 Ų | 125.8 | 60% | 0.597 | 69% | 0.694 | S | S | * | * | trans | 72.2 | 113.5 | 136.5 | -61.9 | 167.3 | 0 | 0 | 0 | 122.5 | ||||
| 1245 | F | 24.6 | Very low | 24.8 | Very low | 182 Ų | 182 | 128 Ų | 128 | 80% | 0.798 | 70% | 0.702 | S | S | * | * | trans | 66.8 | 96.1 | 142 | -69.6 | -60.4 | 0 | 0 | 0 | 121.1 | ||||
| 1246 | G | 27.1 | Very low | 24.7 | Very low | 77 Ų | 77 | 130.6 Ų | 130.6 | 79% | 0.794 | 71% | 0.706 | S | S | * | * | trans | -149.7 | 118.1 | 140 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1247 | D | 27.9 | Very low | 24.7 | Very low | 145 Ų | 145 | 128.7 Ų | 128.7 | 78% | 0.775 | 70% | 0.695 | S | S | * | * | trans | -72.2 | 149 | -166.6 | -49.6 | -57.5 | 0 | 0 | 0 | 112.4 | ||||
| 1248 | G | 27.4 | Very low | 24.9 | Very low | 60 Ų | 60 | 127.5 Ų | 127.5 | 62% | 0.619 | 69% | 0.689 | S | S | * | * | cis | 101 | 62.2 | 15.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1249 | N | 24.4 | Very low | 24.8 | Very low | 155 Ų | 155 | 123.7 Ų | 123.7 | 83% | 0.829 | 68% | 0.68 | S | S | * | * | 58 | 129 | 83.5 | -85.7 | 4.8 | 0 | 0 | 0 | 115.7 | |||||
| 1250 | C | 22.8 | Very low | 24.8 | Very low | 101 Ų | 101 | 124 Ų | 124 | 68% | 0.682 | 68% | 0.676 | S | S | * | * | trans | 66.4 | 155.3 | 168.4 | -54.4 | 0 | 0 | 0 | 0 | 115.5 | L1252 | C1250-L1252 HydrophobicContact CB-CD1 4.04Š| ||
| 1251 | D | 25.7 | Very low | 24.7 | Very low | 144 Ų | 144 | 125.1 Ų | 125.1 | 77% | 0.77 | 67% | 0.67 | S | S | * | * | cis | -99.9 | 147.6 | 4.2 | -76.4 | -45.6 | 0 | 0 | 0 | 112.4 | ||||
| 1252 | L | 29 | Very low | 24.9 | Very low | 119 Ų | 119 | 124.1 Ų | 124.1 | 62% | 0.623 | 66% | 0.658 | S | S | * | * | 58.5 | 109.4 | 67.1 | -78.8 | 80.7 | 0 | 0 | 0 | 113 | C1250 | C1250-L1252 HydrophobicContact CB-CD1 4.04Š| |||
| 1253 | Q | 21.9 | Very low | 25.1 | Very low | 187 Ų | 187 | 120.1 Ų | 120.1 | 87% | 0.874 | 66% | 0.655 | S | S | * | * | trans | -96.4 | 153.7 | 157.6 | -68.4 | -176.9 | -56.3 | 0 | 0 | 108.7 | ||||
| 1254 | C | 24.9 | Very low | 25 | Very low | 94 Ų | 94 | 126.1 Ų | 126.1 | 64% | 0.635 | 67% | 0.672 | S | S | * | * | trans | 68.9 | 149.9 | -179.1 | -47.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1255 | F | 26.4 | Very low | 24.9 | Very low | 182 Ų | 182 | 126.4 Ų | 126.4 | 80% | 0.798 | 67% | 0.674 | S | S | * | * | cis | -124.9 | 163.1 | 8.6 | -91.3 | -87.7 | 0 | 0 | 0 | 113.7 | ||||
| 1256 | R | 22.2 | Very low | 24.9 | Very low | 183 Ų | 183 | 121 Ų | 121 | 69% | 0.691 | 66% | 0.658 | S | S | * | * | trans | -133 | 121.3 | 156.1 | -122.6 | -164.6 | -168.1 | -112.3 | 8 | 108.4 | ||||
| 1257 | E | 23.1 | Very low | 24.9 | Very low | 94 Ų | 94 | 124.2 Ų | 124.2 | 44% | 0.439 | 66% | 0.656 | S | S | . | * | 52.3 | 161.1 | 127.9 | -67.8 | 164.6 | 178.6 | 0 | 0 | 121.5 | N1910 | E1257-N1910 HydrophobicContact CG-CB 3.93Å; E1257-N1910 PolarHBondContact OE1-ND2 3.1Å | |||
| 1258 | E | 24 | Very low | 24.6 | Very low | 116 Ų | 116 | 124.6 Ų | 124.6 | 54% | 0.542 | 65% | 0.65 | S | S | . | * | trans | -80.1 | 141.3 | -169.4 | -60.9 | 148.1 | -157.9 | 0 | 0 | 113.7 | Q1843 S1911 | E1258-Q1843 PolarHBondContact O-NE2 3.44Å; E1258-S1911 WeakPolarHBondContact OE1-CB 3.42Å | ||
| 1259 | C | 25 | Very low | 24.5 | Very low | 83 Ų | 83 | 127 Ų | 127 | 56% | 0.561 | 65% | 0.653 | S | S | * | * | 177.8 | 166.5 | 117.9 | -95.1 | 0 | 0 | 0 | 0 | 113.4 | Q1843 | C1259-Q1843 HydrophobicContact CB-CB 4.1Å; C1259-Q1843 HydrophobicContact CB-CG 3.78Å; C1259-Q1843 VanDerWaalsContact SG-CD 3.51Å; C1259-Q1843 PolarHBondContact SG-NE2 3.25Å | |||
| 1260 | L | 23.4 | Very low | 24.4 | Very low | 134 Ų | 134 | 128.1 Ų | 128.1 | 70% | 0.702 | 65% | 0.651 | S | S | * | * | trans | -87.4 | 171 | 169 | -94.6 | 81.3 | 0 | 0 | 0 | 112.3 | ||||
| 1261 | F | 26.1 | Very low | 24.8 | Very low | 131 Ų | 131 | 130.7 Ų | 130.7 | 58% | 0.575 | 66% | 0.656 | S | S | * | * | trans | 76.3 | 144.4 | 158.6 | -83.6 | -61.1 | 0 | 0 | 0 | 112.8 | N1841 F1842 | F1261-N1841 HydrophobicContact CD1-CB 4.36Å; F1261-F1842 VanDerWaalsContact O-CA 3.26Å; F1261-F1842 WeakPolarHBondContact O-CA 3.4Å; F1261-F1842 WeakPolarHBondContact O-CD1 3.43Å; F1261-F1842 VanDerWaalsContact O-CE1 3.23Å; F1261-F1842 WeakPolarHBondContact O-CE1 3.04Å; F1261-F1842 WeakPolarHBondContact O-CG 3.4Å; F1261-F1842 PolarHBondContact O-N 2.03Å | ||
| 1262 | D | 24 | Very low | 25.1 | Very low | 74 Ų | 74 | 130.2 Ų | 130.2 | 40% | 0.396 | 65% | 0.653 | S | S | . | * | trans | -113.7 | 173 | -168.5 | 58.1 | -108.7 | 0 | 0 | 0 | 120.7 | N1841 F1842 | D1262-N1841 HydrophobicContact CB-CB 4.41Å; D1262-N1841 PolarHBondContact N-ND2 3.24Å; D1262-N1841 VanDerWaalsContact N-ND2 3.16Å; D1262-N1841 CarbonylContact O-C 3.54Å; D1262-N1841 VanDerWaalsContact O-CA 3.26Å; D1262-N1841 WeakPolarHBondContact O-CA 3.05Å; D1262-N1841 WeakPolarHBondContact O-CB 3.37Å; D1262-N1841 PolarHBondContact OD1-ND2 2.94Å; D1262-N1841 WeakPolarHBondContact OD2-CB 3.3Å; D1262-N1841 PolarHBondContact OD2-ND2 2.03Å; D1262-F1842 VanDerWaalsContact C-CD2 3.41Å; D1262-F1842 VanDerWaalsContact CA-CD2 3.48Å; D1262-F1842 HydrophobicContact CB-CD2 4.47Å; D1262-F1842 WeakPolarHBondContact O-CB 3.2Å; D1262-F1842 PolarHBondContact O-N 2.7Å | ||
| 1263 | G | 27.3 | Very low | 25.1 | Very low | 57 Ų | 57 | 130.4 Ų | 130.4 | 59% | 0.588 | 66% | 0.655 | S | S | * | * | trans | -116.8 | 110.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | D1265 | G1263-D1265 PolarHBondContact O-N 2.96Š| ||
| 1264 | W | 23.5 | Very low | 25.4 | Very low | 216 Ų | 216 | 127.8 Ų | 127.8 | 82% | 0.818 | 65% | 0.647 | S | S | * | * | trans | -71.2 | 130.5 | -172.3 | -112.7 | 53.5 | 0 | 0 | 0 | 113.5 | ||||
| 1265 | D | 22.8 | Very low | 25.4 | Very low | 120 Ų | 120 | 128.5 Ų | 128.5 | 64% | 0.642 | 64% | 0.644 | S | S | * | * | trans | 70.1 | 119.4 | 137.2 | -151.1 | 39.6 | 0 | 0 | 0 | 120.8 | G1263 | G1263-D1265 PolarHBondContact O-N 2.96Š| ||
| 1266 | C | 23.5 | Very low | 25.3 | Very low | 69 Ų | 69 | 123 Ų | 123 | 47% | 0.466 | 63% | 0.625 | S | S | . | * | trans | 60.7 | 173.1 | 140 | -83.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1267 | I | 26.8 | Very low | 25.5 | Very low | 145 Ų | 145 | 120.6 Ų | 120.6 | 74% | 0.744 | 62% | 0.62 | S | S | * | * | cis | -126.8 | 116.2 | -7.3 | -126 | 140.1 | 0 | 0 | 0 | 106.2 | ||||
| 1268 | K | 23.4 | Very low | 26 | Very low | 152 Ų | 152 | 120.9 Ų | 120.9 | 66% | 0.661 | 62% | 0.621 | S | S | * | * | 64.8 | 117.7 | 87 | -82.7 | 179.2 | 177.6 | 156.4 | 0 | 115.9 | |||||
| 1269 | T | 23.9 | Very low | 26.1 | Very low | 112 Ų | 112 | 121.7 Ų | 121.7 | 69% | 0.687 | 63% | 0.63 | S | S | * | * | trans | 78.8 | 151.1 | 135.7 | 65.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1270 | K | 22.9 | Very low | 26.4 | Very low | 178 Ų | 178 | 122.3 Ų | 122.3 | 77% | 0.774 | 63% | 0.633 | S | S | * | * | trans | 75.2 | 134.9 | 172.6 | -50.2 | -174.7 | -175.5 | -175.1 | 0 | 113.2 | ||||
| 1271 | I | 31.6 | Very low | 26.8 | Very low | 155 Ų | 155 | 120 Ų | 120 | 80% | 0.795 | 63% | 0.629 | S | S | * | * | cis | -109.1 | 108.4 | 20.2 | -65.1 | 163.6 | 0 | 0 | 0 | 111.8 | D1273 | I1271-D1273 HydrophobicContact CG2-CB 4.39Š| ||
| 1272 | D | 31.6 | Very low | 27.5 | Very low | 133 Ų | 133 | 121.6 Ų | 121.6 | 71% | 0.711 | 64% | 0.638 | S | S | * | * | trans | -69.2 | 135.9 | 146 | -49.9 | -90.9 | 0 | 0 | 0 | 108.3 | ||||
| 1273 | D | 29.4 | Very low | 27.5 | Very low | 123 Ų | 123 | 121.8 Ų | 121.8 | 66% | 0.658 | 65% | 0.645 | S | S | * | * | trans | -157.8 | 115.4 | 150.5 | -99.3 | -41.1 | 0 | 0 | 0 | 106.4 | I1271 | I1271-D1273 HydrophobicContact CG2-CB 4.39Š| ||
| 1274 | N | 26.8 | Very low | 27.4 | Very low | 132 Ų | 132 | 122.4 Ų | 122.4 | 71% | 0.706 | 64% | 0.641 | S | S | * | * | 67.2 | 139.2 | 90.1 | -78.6 | -45.2 | 0 | 0 | 0 | 112.9 | |||||
| 1275 | L | 24.8 | Very low | 27.5 | Very low | 109 Ų | 109 | 114 Ų | 114 | 57% | 0.571 | 61% | 0.614 | S | S | * | * | cis | -160.7 | 162.3 | 17 | -134 | 162.7 | 0 | 0 | 0 | 109.2 | ||||
| 1276 | T | 25.4 | Very low | 27.5 | Very low | 67 Ų | 67 | 113.9 Ų | 113.9 | 41% | 0.411 | 61% | 0.61 | S | S | . | * | trans | 69.4 | 144.7 | 176.9 | 84.8 | 0 | 0 | 0 | 0 | 113.6 | C1285 Q1286 | T1276-C1285 HydrophobicContact CG2-CB 3.84Å; T1276-Q1286 HydrophobicContact CG2-CB 4.02Å; T1276-Q1286 HydrophobicContact CG2-CG 4.2Å | ||
| 1277 | K | 26 | Very low | 27.5 | Very low | 133 Ų | 133 | 117 Ų | 117 | 58% | 0.578 | 62% | 0.622 | S | S | * | * | cis | -145.3 | 145.8 | 14.8 | -56.7 | 169 | 170.4 | -56 | 0 | 108.5 | S1284 C1285 | K1277-S1284 WeakPolarHBondContact CD-O 3.04Å; K1277-S1284 WeakPolarHBondContact CE-O 3.17Å; K1277-S1284 WeakPolarHBondContact CG-O 3.19Å; K1277-S1284 PolarHBondContact NZ-O 2.89Å; K1277-C1285 HydrophobicContact CB-CB 4.22Å; K1277-C1285 HydrophobicContact CG-CB 3.85Å; K1277-C1285 PolarHBondContact NZ-O 2.99Å | ||
| 1278 | E | 33.4 | Very low | 27.2 | Very low | 100 Ų | 100 | 118 Ų | 118 | 47% | 0.467 | 62% | 0.621 | S | S | . | * | cis | -157.6 | -53.3 | -21.9 | 169.6 | 172.9 | -114.8 | 0 | 0 | 109.8 | S1284 C1285 | E1278-S1284 WeakPolarHBondContact OE2-CA 3.43Å; E1278-S1284 VanDerWaalsContact OE2-CB 3.28Å; E1278-S1284 WeakPolarHBondContact OE2-CB 3.27Å; E1278-S1284 PolarHBondContact OE2-OG 2.96Å; E1278-C1285 HydrophobicContact CB-CB 4.02Å; E1278-C1285 HydrophobicContact CG-CB 4.25Å; E1278-C1285 WeakPolarHBondContact OE1-CA 3.39Å; E1278-C1285 WeakPolarHBondContact OE1-CB 3.18Å; E1278-C1285 PolarHBondContact OE1-N 3.36Å; E1278-C1285 PolarHBondContact OE1-SG 3.36Å; E1278-C1285 PolarHBondContact OE2-N 3.18Å | ||
| 1279 | N | 25.9 | Very low | 27.3 | Very low | 133 Ų | 133 | 119.4 Ų | 119.4 | 71% | 0.711 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -151.3 | -159.9 | -174.9 | -166.2 | 4.8 | 0 | 0 | 0 | 106.8 | ||
| 1280 | C | 31.2 | Very low | 27.5 | Very low | 95 Ų | 95 | 119.9 Ų | 119.9 | 64% | 0.642 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -62.1 | 161.4 | 153.7 | -71.2 | 0 | 0 | 0 | 0 | 112.1 | E1282 S1283 | C1280-E1282 CarbonylContact C-O 3.46Å; C1280-E1282 VanDerWaalsContact O-O 3.12Å; C1280-S1283 PolarHBondContact O-OG 3.45Å |
| 1281 | S | 33.1 | Very low | 27.5 | Very low | 87 Ų | 87 | 116.6 Ų | 116.6 | 61% | 0.608 | 62% | 0.616 | S | S | * | * | S | Bend | cis | -81.9 | -44.9 | -2.5 | 11.5 | 0 | 0 | 0 | 0 | 116 | S1283 | S1281-S1283 PolarHBondContact N-OG 3.43Š|
| 1282 | E | 39.5 | Very low | 27.1 | Very low | 164 Ų | 164 | 117.1 Ų | 117.1 | 77% | 0.766 | 61% | 0.612 | S | S | * | * | S | Bend | cis | 76.3 | 179.1 | -5.1 | -47.2 | 149.2 | -169.8 | 0 | 0 | 116.1 | C1280 | C1280-E1282 CarbonylContact C-O 3.46Å; C1280-E1282 VanDerWaalsContact O-O 3.12Å |
| 1283 | S | 23.8 | Very low | 26.7 | Very low | 78 Ų | 78 | 114.4 Ų | 114.4 | 55% | 0.545 | 60% | 0.6 | S | S | . | * | trans | 149 | -178.3 | 176.8 | 33.4 | 0 | 0 | 0 | 0 | 112.8 | C1280 S1281 | C1280-S1283 PolarHBondContact O-OG 3.45Å; S1281-S1283 PolarHBondContact N-OG 3.43Å | ||
| 1284 | S | 25.5 | Very low | 26.7 | Very low | 70 Ų | 70 | 117 Ų | 117 | 49% | 0.49 | 61% | 0.611 | S | S | . | * | cis | 154.5 | -166.2 | -5.2 | 176.3 | 0 | 0 | 0 | 0 | 111.9 | K1277 E1278 | K1277-S1284 WeakPolarHBondContact CD-O 3.04Å; K1277-S1284 WeakPolarHBondContact CE-O 3.17Å; K1277-S1284 WeakPolarHBondContact CG-O 3.19Å; K1277-S1284 PolarHBondContact NZ-O 2.89Å; E1278-S1284 WeakPolarHBondContact OE2-CA 3.43Å; E1278-S1284 VanDerWaalsContact OE2-CB 3.28Å; E1278-S1284 WeakPolarHBondContact OE2-CB 3.27Å; E1278-S1284 PolarHBondContact OE2-OG 2.96Å | ||
| 1285 | C | 26 | Very low | 26.6 | Very low | 38 Ų | 38 | 116.8 Ų | 116.8 | 26% | 0.257 | 61% | 0.605 | S | S | . | * | trans | 62 | 144.1 | 169.7 | -111.2 | 0 | 0 | 0 | 0 | 119.9 | T1276 K1277 E1278 | T1276-C1285 HydrophobicContact CG2-CB 3.84Å; K1277-C1285 HydrophobicContact CB-CB 4.22Å; K1277-C1285 HydrophobicContact CG-CB 3.85Å; K1277-C1285 PolarHBondContact NZ-O 2.99Å; E1278-C1285 HydrophobicContact CB-CB 4.02Å; E1278-C1285 HydrophobicContact CG-CB 4.25Å; E1278-C1285 WeakPolarHBondContact OE1-CA 3.39Å; E1278-C1285 WeakPolarHBondContact OE1-CB 3.18Å; E1278-C1285 PolarHBondContact OE1-N 3.36Å; E1278-C1285 PolarHBondContact OE1-SG 3.36Å; E1278-C1285 PolarHBondContact OE2-N 3.18Å | ||
| 1286 | Q | 22.8 | Very low | 26.6 | Very low | 118 Ų | 118 | 116.5 Ų | 116.5 | 55% | 0.551 | 61% | 0.611 | S | S | * | * | cis | -154.6 | 157 | 16 | -169.7 | -179.4 | 4.9 | 0 | 0 | 113.4 | T1276 | T1276-Q1286 HydrophobicContact CG2-CB 4.02Å; T1276-Q1286 HydrophobicContact CG2-CG 4.2Å | ||
| 1287 | D | 23.3 | Very low | 26.8 | Very low | 135 Ų | 135 | 119.2 Ų | 119.2 | 72% | 0.722 | 62% | 0.624 | S | S | * | * | S | Bend | trans | 70.9 | 130.5 | 168.2 | -151.7 | 32.3 | 0 | 0 | 0 | 117.4 | ||
| 1288 | F | 22 | Very low | 27 | Very low | 165 Ų | 165 | 120.3 Ų | 120.3 | 72% | 0.724 | 63% | 0.63 | S | S | * | * | trans | 59.9 | 137.7 | -172 | -79.2 | -125.4 | 0 | 0 | 0 | 114.5 | ||||
| 1289 | Y | 24.4 | Very low | 26.8 | Very low | 182 Ų | 182 | 121.5 Ų | 121.5 | 71% | 0.714 | 64% | 0.64 | S | S | * | * | cis | -156.8 | -170.2 | 3.9 | -149.8 | -132.2 | 0 | 0 | 0 | 111 | ||||
| 1290 | I | 27.4 | Very low | 27 | Very low | 122 Ų | 122 | 121.1 Ų | 121.1 | 63% | 0.626 | 64% | 0.638 | S | S | * | * | trans | -41.2 | 144.1 | 161.5 | -69.9 | 165.3 | 0 | 0 | 0 | 113 | ||||
| 1291 | T | 24.3 | Very low | 26.9 | Very low | 110 Ų | 110 | 125.6 Ų | 125.6 | 68% | 0.675 | 65% | 0.65 | S | S | * | * | trans | 67.6 | 149.7 | 171 | 52.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1292 | K | 22.5 | Very low | 26.9 | Very low | 166 Ų | 166 | 126.8 Ų | 126.8 | 72% | 0.722 | 66% | 0.658 | S | S | * | * | cis | -137.5 | 143.3 | 2.5 | -112.8 | 139.2 | -179.8 | -175.6 | 0 | 108.6 | ||||
| 1293 | T | 23.6 | Very low | 26.3 | Very low | 76 Ų | 76 | 124.9 Ų | 124.9 | 47% | 0.466 | 65% | 0.653 | S | S | . | * | 47.4 | 146 | 84.7 | 106.5 | 0 | 0 | 0 | 0 | 115.3 | E1295 | T1293-E1295 VanDerWaalsContact CB-CD 3.47Å; T1293-E1295 WeakPolarHBondContact CB-OE2 3.48Å; T1293-E1295 HydrophobicContact CG2-CG 3.6Å; T1293-E1295 PolarHBondContact OG1-OE2 3.45Å | |||
| 1294 | M | 28.5 | Very low | 26.3 | Very low | 177 Ų | 177 | 125.8 Ų | 125.8 | 87% | 0.872 | 66% | 0.658 | S | S | * | * | cis | -75.7 | 122.6 | 21.5 | -58.9 | 177.2 | 71.4 | 0 | 0 | 112 | ||||
| 1295 | E | 24.4 | Very low | 26.5 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 59% | 0.593 | 67% | 0.673 | S | S | * | * | 57.5 | 131.7 | 60.6 | -83.1 | 155.2 | 149.3 | 0 | 0 | 112.7 | T1293 | T1293-E1295 VanDerWaalsContact CB-CD 3.47Å; T1293-E1295 WeakPolarHBondContact CB-OE2 3.48Å; T1293-E1295 HydrophobicContact CG2-CG 3.6Å; T1293-E1295 PolarHBondContact OG1-OE2 3.45Å | |||
| 1296 | C | 25.7 | Very low | 26.6 | Very low | 103 Ų | 103 | 134 Ų | 134 | 70% | 0.696 | 70% | 0.698 | S | S | * | * | trans | 37.1 | 93.5 | 137.5 | -51.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1297 | N | 29.7 | Very low | 26.7 | Very low | 125 Ų | 125 | 134.4 Ų | 134.4 | 67% | 0.668 | 70% | 0.704 | S | S | * | * | -158.7 | 117.9 | 106 | -92.8 | -4.3 | 0 | 0 | 0 | 108.1 | |||||
| 1298 | Q | 29.5 | Very low | 26.8 | Very low | 155 Ų | 155 | 134.5 Ų | 134.5 | 72% | 0.724 | 71% | 0.705 | S | S | * | * | 92.5 | 139.9 | 73.6 | -87.8 | 177.2 | -8.6 | 0 | 0 | 110.5 | |||||
| 1299 | N | 28.8 | Very low | 26.8 | Very low | 125 Ų | 125 | 134 Ų | 134 | 67% | 0.668 | 71% | 0.71 | S | S | * | * | trans | 83.9 | 108.4 | 152 | -77.3 | 46.1 | 0 | 0 | 0 | 120.7 | ||||
| 1300 | D | 31.2 | Very low | 26.8 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 67% | 0.668 | 72% | 0.715 | S | S | * | * | 111.2 | 86.8 | 122.5 | -54.6 | -11.9 | 0 | 0 | 0 | 120.3 | |||||
| 1301 | E | 28.4 | Very low | 26.6 | Very low | 189 Ų | 189 | 136.2 Ų | 136.2 | 88% | 0.883 | 73% | 0.725 | S | S | * | * | trans | 72.7 | 128.4 | 135.7 | -58.8 | -177.3 | 158.6 | 0 | 0 | 120.6 | ||||
| 1302 | S | 33.9 | Very low | 26.7 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | cis | -145.1 | -147.8 | 16 | 64.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1303 | N | 26.5 | Very low | 26.7 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 66% | 0.658 | 72% | 0.722 | S | S | * | * | trans | -164.2 | 167.9 | -157.3 | -94.8 | -38.2 | 0 | 0 | 0 | 112.6 | ||||
| 1304 | C | 24.7 | Very low | 27 | Very low | 97 Ų | 97 | 136.8 Ų | 136.8 | 66% | 0.655 | 73% | 0.732 | S | S | * | * | cis | 179.5 | 164.1 | -33 | -113.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 1305 | T | 28.5 | Very low | 26.8 | Very low | 132 Ų | 132 | 136 Ų | 136 | 81% | 0.81 | 72% | 0.724 | S | S | * | * | trans | 62.5 | 177.2 | 158.3 | 52.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1306 | L | 27.7 | Very low | 26.8 | Very low | 149 Ų | 149 | 132.3 Ų | 132.3 | 78% | 0.78 | 71% | 0.712 | S | S | * | * | -174 | 159.7 | -72.1 | -105.2 | 170.8 | 0 | 0 | 0 | 112.4 | |||||
| 1307 | N | 25.2 | Very low | 26.8 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 68% | 0.679 | 72% | 0.719 | S | S | * | * | trans | 64.5 | 161.5 | 161.7 | -92.1 | 48.7 | 0 | 0 | 0 | 122.1 | ||||
| 1308 | D | 25.9 | Very low | 26.7 | Very low | 136 Ų | 136 | 134.1 Ų | 134.1 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | trans | 37.5 | 120.4 | 145.2 | -52.9 | -30.5 | 0 | 0 | 0 | 124.6 | ||||
| 1309 | D | 21.8 | Very low | 26.6 | Very low | 156 Ų | 156 | 131.8 Ų | 131.8 | 83% | 0.834 | 71% | 0.712 | S | S | * | * | 61.7 | 173.4 | 125.4 | -139.2 | -5.9 | 0 | 0 | 0 | 123 | |||||
| 1310 | L | 24.6 | Very low | 26.5 | Very low | 158 Ų | 158 | 130.4 Ų | 130.4 | 83% | 0.827 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -52.6 | 131.1 | -170.1 | -93.5 | 158.3 | 0 | 0 | 0 | 115.6 | ||
| 1311 | K | 22.5 | Very low | 26.5 | Very low | 191 Ų | 191 | 129.9 Ų | 129.9 | 83% | 0.83 | 71% | 0.711 | S | S | * | * | trans | 74.2 | 100.1 | 156.1 | -155.3 | -175.1 | -169 | -179 | 0 | 115.3 | ||||
| 1312 | N | 26.5 | Very low | 26.4 | Very low | 142 Ų | 142 | 128.3 Ų | 128.3 | 76% | 0.759 | 71% | 0.707 | S | S | * | * | trans | -7 | 138.4 | 147.3 | -137.3 | -0.1 | 0 | 0 | 0 | 117 | ||||
| 1313 | I | 24.1 | Very low | 26.1 | Very low | 113 Ų | 113 | 129.1 Ų | 129.1 | 58% | 0.579 | 69% | 0.694 | S | S | * | * | trans | 77.1 | 81.6 | 164.5 | -59.1 | 169.2 | 0 | 0 | 0 | 112.7 | F1315 | I1313-F1315 HydrophobicContact CG2-CE2 3.87Å; I1313-F1315 HydrophobicContact CG2-CZ 4.05Å | ||
| 1314 | T | 29.2 | Very low | 26.1 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 67% | 0.669 | 69% | 0.692 | S | S | * | * | 64 | 150 | 86 | 67 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1315 | F | 23.8 | Very low | 26.1 | Very low | 160 Ų | 160 | 129.5 Ų | 129.5 | 70% | 0.702 | 69% | 0.689 | S | S | * | * | -176.8 | 104.1 | 121.7 | -90.1 | -58.7 | 0 | 0 | 0 | 111.3 | I1313 | I1313-F1315 HydrophobicContact CG2-CE2 3.87Å; I1313-F1315 HydrophobicContact CG2-CZ 4.05Å | |||
| 1316 | S | 25.5 | Very low | 25.9 | Very low | 50 Ų | 50 | 129.3 Ų | 129.3 | 35% | 0.35 | 68% | 0.684 | S | S | . | * | 26.3 | 134.2 | 124 | 68.7 | 0 | 0 | 0 | 0 | 120.3 | N1318 L1319 Y1323 | S1316-N1318 VanDerWaalsContact C-N 3.28Å; S1316-N1318 PolarHBondContact O-N 2.87Å; S1316-L1319 WeakPolarHBondContact OG-CD1 3.4Å; S1316-Y1323 VanDerWaalsContact CB-CE1 3.47Å | |||
| 1317 | T | 24.1 | Very low | 25.8 | Very low | 137 Ų | 137 | 128.2 Ų | 128.2 | 84% | 0.84 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -85.7 | 73.4 | 142.3 | 54.8 | 0 | 0 | 0 | 0 | 110.8 | ||
| 1318 | N | 28.2 | Very low | 25.8 | Very low | 130 Ų | 130 | 128.7 Ų | 128.7 | 70% | 0.695 | 68% | 0.681 | S | S | * | * | trans | 70.7 | 117.9 | 176.6 | -41.5 | -71.2 | 0 | 0 | 0 | 113.4 | S1316 | S1316-N1318 VanDerWaalsContact C-N 3.28Å; S1316-N1318 PolarHBondContact O-N 2.87Å | ||
| 1319 | L | 26.7 | Very low | 25.7 | Very low | 105 Ų | 105 | 128 Ų | 128 | 55% | 0.55 | 68% | 0.682 | S | S | . | * | 53.8 | 123.3 | 71.3 | -74.3 | 87.3 | 0 | 0 | 0 | 111.7 | S1316 Y1323 | S1316-L1319 WeakPolarHBondContact OG-CD1 3.4Å; L1319-Y1323 WeakPolarHBondContact CA-OH 3.35Å; L1319-Y1323 VanDerWaalsContact CD1-OH 3.26Å; L1319-Y1323 WeakPolarHBondContact CD1-OH 3.27Å; L1319-Y1323 VanDerWaalsContact CG-OH 3.26Å; L1319-Y1323 WeakPolarHBondContact CG-OH 3.31Å; L1319-Y1323 PolarHBondContact N-OH 3.5Å | |||
| 1320 | P | 28.5 | Very low | 25.9 | Very low | 96 Ų | 96 | 126.1 Ų | 126.1 | 62% | 0.623 | 68% | 0.676 | S | S | * | * | S | Bend | cis | -95.2 | -150.6 | 13.7 | 25.3 | -9.4 | 0 | 0 | 0 | 111.4 | I1322 | P1320-I1322 PolarHBondContact O-N 3.05Š|
| 1321 | V | 30.9 | Very low | 25.9 | Very low | 115 Ų | 115 | 125.5 Ų | 125.5 | 70% | 0.697 | 67% | 0.674 | S | S | * | * | S | Bend | -17.8 | 114.7 | 126.9 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | |||
| 1322 | I | 25.4 | Very low | 25.9 | Very low | 156 Ų | 156 | 125.2 Ų | 125.2 | 80% | 0.8 | 68% | 0.678 | S | S | * | * | cis | -124.7 | 145.5 | 22.9 | -59.4 | 92.7 | 0 | 0 | 0 | 109 | P1320 | P1320-I1322 PolarHBondContact O-N 3.05Š| ||
| 1323 | Y | 27.1 | Very low | 25.8 | Very low | 129 Ų | 129 | 123.5 Ų | 123.5 | 51% | 0.506 | 68% | 0.677 | S | S | . | * | trans | -111.2 | 133.7 | -167.8 | -84.4 | -62.5 | 0 | 0 | 0 | 115.9 | S1316 L1319 | S1316-Y1323 VanDerWaalsContact CB-CE1 3.47Å; L1319-Y1323 WeakPolarHBondContact CA-OH 3.35Å; L1319-Y1323 VanDerWaalsContact CD1-OH 3.26Å; L1319-Y1323 WeakPolarHBondContact CD1-OH 3.27Å; L1319-Y1323 VanDerWaalsContact CG-OH 3.26Å; L1319-Y1323 WeakPolarHBondContact CG-OH 3.31Å; L1319-Y1323 PolarHBondContact N-OH 3.5Å | ||
| 1324 | D | 28.2 | Very low | 25.7 | Very low | 114 Ų | 114 | 122.6 Ų | 122.6 | 61% | 0.61 | 68% | 0.681 | S | S | * | * | trans | -166.9 | 175 | -169.9 | -176 | 22.6 | 0 | 0 | 0 | 110.2 | ||||
| 1325 | N | 24.1 | Very low | 25.3 | Very low | 114 Ų | 114 | 122.4 Ų | 122.4 | 61% | 0.61 | 68% | 0.683 | S | S | * | * | trans | 78.5 | 115.7 | 161.6 | -95 | -83.9 | 0 | 0 | 0 | 122.1 | ||||
| 1326 | N | 24.7 | Very low | 25.4 | Very low | 129 Ų | 129 | 121 Ų | 121 | 69% | 0.69 | 69% | 0.688 | S | S | * | * | 57.3 | 131.7 | 123.1 | -90.2 | -56.6 | 0 | 0 | 0 | 125 | |||||
| 1327 | N | 25.8 | Very low | 25.3 | Very low | 125 Ų | 125 | 121.7 Ų | 121.7 | 67% | 0.668 | 70% | 0.703 | S | S | * | * | trans | 75.8 | 107.4 | 137.3 | -89.8 | -46.2 | 0 | 0 | 0 | 123.7 | ||||
| 1328 | N | 24.6 | Very low | 25.2 | Very low | 137 Ų | 137 | 123.6 Ų | 123.6 | 73% | 0.733 | 70% | 0.702 | S | S | * | * | 74 | 167.9 | 118.1 | -102.9 | -52.9 | 0 | 0 | 0 | 122.8 | |||||
| 1329 | T | 24.7 | Very low | 25.1 | Very low | 123 Ų | 123 | 126.5 Ų | 126.5 | 76% | 0.755 | 71% | 0.705 | S | S | * | * | trans | 83.5 | 139.9 | 171.9 | 74.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1330 | T | 25.7 | Very low | 25 | Very low | 116 Ų | 116 | 126.7 Ų | 126.7 | 71% | 0.712 | 71% | 0.71 | S | S | * | * | cis | -152.1 | 168.8 | 7.1 | -14.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1331 | N | 25 | Very low | 24.8 | Very low | 145 Ų | 145 | 128.2 Ų | 128.2 | 78% | 0.775 | 71% | 0.713 | S | S | * | * | trans | 71.4 | 87.2 | 169.9 | -52.7 | -11.3 | 0 | 0 | 0 | 115.8 | ||||
| 1332 | M | 22 | Very low | 24.5 | Very low | 185 Ų | 185 | 130.6 Ų | 130.6 | 91% | 0.911 | 72% | 0.716 | S | S | * | * | cis | 58.6 | 93.4 | 1.9 | -156.6 | -174.1 | -162.1 | 0 | 0 | 118.4 | ||||
| 1333 | S | 23.6 | Very low | 24.5 | Very low | 105 Ų | 105 | 130.2 Ų | 130.2 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | trans | -162.8 | 123 | 144.2 | 56.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1334 | S | 22.3 | Very low | 24.2 | Very low | 95 Ų | 95 | 130.2 Ų | 130.2 | 66% | 0.664 | 73% | 0.728 | S | S | * | * | trans | 51 | 116.1 | 138.5 | 60.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 1335 | S | 21.4 | Very low | 24.3 | Very low | 104 Ų | 104 | 130.4 Ų | 130.4 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | 60.2 | 135.9 | 69.8 | 80.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 1336 | T | 24.9 | Very low | 24.2 | Very low | 131 Ų | 131 | 128.2 Ų | 128.2 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | -162.3 | 153.3 | 52.3 | 44.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1337 | G | 22.8 | Very low | 24.1 | Very low | 64 Ų | 64 | 127.1 Ų | 127.1 | 66% | 0.66 | 74% | 0.742 | S | S | * | * | 66.8 | 125.6 | 117.3 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 1338 | H | 23.6 | Very low | 24 | Very low | 177 Ų | 177 | 129 Ų | 129 | 82% | 0.819 | 75% | 0.751 | S | S | * | * | trans | 82.3 | 155.9 | 144.2 | -70.5 | -71.9 | 0 | 0 | 0 | 122.3 | ||||
| 1339 | Y | 25.3 | Very low | 23.9 | Very low | 191 Ų | 191 | 127.4 Ų | 127.4 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | trans | 80.7 | 87 | 156.1 | -72.5 | -65 | 0 | 0 | 0 | 120.8 | ||||
| 1340 | T | 23.7 | Very low | 23.8 | Very low | 109 Ų | 109 | 128.6 Ų | 128.6 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | 72.2 | 147.7 | 122.7 | 49.9 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1341 | N | 24.1 | Very low | 23.7 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 69% | 0.69 | 75% | 0.745 | S | S | * | * | trans | 81.9 | 121.9 | 143.8 | -74.4 | -2.2 | 0 | 0 | 0 | 120.6 | ||||
| 1342 | H | 25.5 | Very low | 23.6 | Very low | 164 Ų | 164 | 128.6 Ų | 128.6 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | trans | 77.8 | 143.9 | 135.2 | -84.2 | -66.3 | 0 | 0 | 0 | 121.5 | ||||
| 1343 | I | 25.5 | Very low | 23.5 | Very low | 148 Ų | 148 | 127 Ų | 127 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | trans | 82.6 | 83.4 | 148.6 | -67.3 | 159.2 | 0 | 0 | 0 | 117.4 | ||||
| 1344 | V | 21.2 | Very low | 23.5 | Very low | 130 Ų | 130 | 127 Ų | 127 | 79% | 0.788 | 74% | 0.736 | S | S | * | * | -47 | 148.3 | 126.5 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1345 | P | 30.4 | Very low | 23.5 | Very low | 118 Ų | 118 | 128.6 Ų | 128.6 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | cis | -128.9 | -166.5 | -3.6 | 40.2 | -23.6 | 0 | 0 | 0 | 113.3 | ||||
| 1346 | G | 22.1 | Very low | 23.7 | Very low | 68 Ų | 68 | 128.4 Ų | 128.4 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | 108.4 | 141.5 | 113.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 1347 | S | 21.9 | Very low | 23.6 | Very low | 106 Ų | 106 | 130 Ų | 130 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | trans | -68.1 | 163 | 177.5 | -45.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1348 | L | 23.3 | Very low | 23.6 | Very low | 164 Ų | 164 | 135.1 Ų | 135.1 | 86% | 0.859 | 74% | 0.743 | S | S | * | * | trans | 67.7 | 149.4 | -178.3 | -107.5 | 60.8 | 0 | 0 | 0 | 111.7 | ||||
| 1349 | V | 22.9 | Very low | 23.7 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 63% | 0.63 | 74% | 0.738 | S | S | * | * | cis | -166.7 | 152.2 | 34.4 | 85.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 1350 | L | 22 | Very low | 23.7 | Very low | 147 Ų | 147 | 129.1 Ų | 129.1 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | trans | 64.9 | 169.5 | 156.5 | -68.4 | -177.3 | 0 | 0 | 0 | 119.1 | ||||
| 1351 | L | 24.4 | Very low | 23.8 | Very low | 129 Ų | 129 | 126.3 Ų | 126.3 | 68% | 0.675 | 71% | 0.711 | S | S | * | * | cis | -152.7 | 128.9 | 3 | -122.1 | 151.1 | 0 | 0 | 0 | 110.6 | ||||
| 1352 | I | 22.5 | Very low | 24 | Very low | 133 Ų | 133 | 123.1 Ų | 123.1 | 68% | 0.682 | 70% | 0.696 | S | S | * | * | trans | 53.6 | 122.8 | 140.7 | -74.8 | -178.5 | 0 | 0 | 0 | 122.8 | ||||
| 1353 | N | 19.8 | Very low | 24.1 | Very low | 151 Ų | 151 | 122.1 Ų | 122.1 | 81% | 0.807 | 69% | 0.692 | S | S | * | * | trans | 63.2 | 147 | 148.7 | -66.5 | -2.4 | 0 | 0 | 0 | 120.5 | ||||
| 1354 | S | 24.2 | Very low | 24.3 | Very low | 105 Ų | 105 | 117 Ų | 117 | 73% | 0.734 | 67% | 0.668 | S | S | * | * | cis | -160.3 | 170.5 | 0.5 | 45 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1355 | T | 21.1 | Very low | 24.4 | Very low | 128 Ų | 128 | 116.6 Ų | 116.6 | 79% | 0.785 | 66% | 0.658 | S | S | * | * | trans | -43.7 | 167.2 | 164.3 | 56.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1356 | P | 26.3 | Very low | 24.1 | Very low | 100 Ų | 100 | 117 Ų | 117 | 65% | 0.649 | 65% | 0.647 | S | S | * | * | cis | -137.3 | -159 | 7.2 | 43.1 | -23.7 | 0 | 0 | 0 | 115 | ||||
| 1357 | E | 23.2 | Very low | 24.6 | Very low | 165 Ų | 165 | 119.7 Ų | 119.7 | 77% | 0.771 | 65% | 0.645 | S | S | * | * | trans | 72 | 118 | 162.4 | -70.8 | 160.8 | -151.2 | 0 | 0 | 116.1 | ||||
| 1358 | E | 22.5 | Very low | 24.8 | Very low | 172 Ų | 172 | 117.9 Ų | 117.9 | 80% | 0.804 | 63% | 0.633 | S | S | * | * | 54.9 | 121.3 | 76.6 | -58.7 | -167.1 | 167.5 | 0 | 0 | 111.6 | |||||
| 1359 | L | 25.5 | Very low | 24.8 | Very low | 137 Ų | 137 | 112.7 Ų | 112.7 | 72% | 0.717 | 61% | 0.605 | S | S | * | * | cis | -151.3 | 140.4 | 49 | -105.2 | 91.2 | 0 | 0 | 0 | 113 | ||||
| 1360 | I | 25.1 | Very low | 24.9 | Very low | 104 Ų | 104 | 111 Ų | 111 | 53% | 0.533 | 59% | 0.592 | S | S | . | * | 48.8 | 114.2 | 127.1 | -65.4 | 179.5 | 0 | 0 | 0 | 117 | N380 | N380-I1360 WeakPolarHBondContact OD1-CG2 3.29Š| |||
| 1361 | T | 27.3 | Very low | 25 | Very low | 51 Ų | 51 | 108.7 Ų | 108.7 | 31% | 0.313 | 58% | 0.584 | S | S | . | * | cis | -164.9 | -171.2 | 25.1 | 5.5 | 0 | 0 | 0 | 0 | 115.7 | N379 N380 T381 | N379-T1361 WeakPolarHBondContact CA-OG1 3.43Å; N379-T1361 WeakPolarHBondContact CB-OG1 3.44Å; N379-T1361 WeakPolarHBondContact OD1-CA 3.46Å; N379-T1361 WeakPolarHBondContact OD1-CB 3.47Å; N379-T1361 PolarHBondContact OD1-N 3.11Å; N379-T1361 VanDerWaalsContact OD1-N 3.08Å; N379-T1361 PolarHBondContact OD1-O 3.48Å; N379-T1361 VanDerWaalsContact OD1-O 3.09Å; N379-T1361 PolarHBondContact OD1-OG1 3.24Å; N380-T1361 PolarHBondContact N-OG1 3.22Å; N380-T1361 VanDerWaalsContact N-OG1 3.16Å; T381-T1361 HydrophobicContact CG2-CG2 4.11Å | ||
| 1362 | T | 28.3 | Very low | 25 | Very low | 62 Ų | 62 | 109.7 Ų | 109.7 | 38% | 0.38 | 59% | 0.59 | S | S | . | * | trans | -24.2 | 126 | 166.9 | 49.9 | 0 | 0 | 0 | 0 | 118.6 | N379 | N379-T1362 PolarHBondContact N-O 3.26Å; N379-T1362 VanDerWaalsContact N-O 3.14Å; N379-T1362 PolarHBondContact N-OG1 3.38Å | ||
| 1363 | H | 26.7 | Very low | 25.4 | Very low | 143 Ų | 143 | 109.9 Ų | 109.9 | 66% | 0.662 | 59% | 0.591 | S | S | * | * | 76.9 | 147.9 | 63.6 | -81.7 | -44 | 0 | 0 | 0 | 113.9 | S376 | S376-H1363 CarbonylContact C-O 3.57Å; S376-H1363 WeakPolarHBondContact CB-O 3.36Å; S376-H1363 CarbonylContact O-C 3.1Å; S376-H1363 PolarHBondContact OG-O 3.19Å | |||
| 1364 | P | 29 | Very low | 25.6 | Very low | 41 Ų | 41 | 108.7 Ų | 108.7 | 27% | 0.266 | 59% | 0.585 | S | S | . | * | -137.5 | 171.6 | -55.4 | 30.8 | -9.4 | 0 | 0 | 0 | 114.4 | N374 S375 S376 | N374-P1364 CarbonylContact C-O 3.23Å; N374-P1364 HydrophobicContact CB-CB 4.15Å; N374-P1364 HydrophobicContact CB-CG 3.93Å; S375-P1364 PolarHBondContact N-O 3.43Å; S376-P1364 PolarHBondContact N-O 3.44Å; S376-P1364 CarbonylContact O-C 3.13Å; S376-P1364 VanDerWaalsContact O-N 3.1Å; S376-P1364 VanDerWaalsContact O-O 3.08Å | |||
| 1365 | E | 23.2 | Very low | 25.5 | Very low | 121 Ų | 121 | 112 Ų | 112 | 57% | 0.565 | 59% | 0.586 | S | S | * | * | trans | -108 | 164.1 | 174.4 | -84.1 | -152.8 | 115 | 0 | 0 | 115.2 | N374 | N374-E1365 WeakPolarHBondContact CB-O 3.23Å; N374-E1365 PolarHBondContact ND2-O 2.98Å | ||
| 1366 | K | 25 | Very low | 25.6 | Very low | 125 Ų | 125 | 111.4 Ų | 111.4 | 54% | 0.543 | 58% | 0.577 | S | S | . | * | trans | -40.5 | 149.6 | 172.1 | -47.3 | 151.1 | -176.7 | 157.4 | 0 | 114.7 | ||||
| 1367 | L | 33.2 | Very low | 25.4 | Very low | 125 Ų | 125 | 111 Ų | 111 | 65% | 0.654 | 57% | 0.569 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -174.5 | 165.6 | 133 | -121.6 | 63.6 | 0 | 0 | 0 | 108.4 | L372 | L372-L1367 PolarHBondContact N-O 2.89Å |
| 1368 | S | 26.2 | Very low | 25.4 | Very low | 69 Ų | 69 | 108.6 Ų | 108.6 | 48% | 0.483 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | cis | 128.6 | 61.4 | 33.5 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | ||
| 1369 | L | 23.5 | Very low | 25.5 | Very low | 55 Ų | 55 | 103.9 Ų | 103.9 | 29% | 0.288 | 54% | 0.537 | S | S | . | . | trans | -72.8 | 178.5 | 149.3 | 59.9 | 22.5 | 0 | 0 | 0 | 110.8 | I369 C370 | I369-L1369 VanDerWaalsContact C-CD1 3.48Å; I369-L1369 VanDerWaalsContact CA-CD1 3.42Å; I369-L1369 HydrophobicContact CB-CD1 3.94Å; I369-L1369 HydrophobicContact CG2-CD1 3.49Å; I369-L1369 VanDerWaalsContact CG2-CD1 3.49Å; C370-L1369 HydrophobicContact CB-CD1 4.22Å; C370-L1369 HydrophobicContact CB-CD2 4.1Å; C370-L1369 HydrophobicContact CB-CG 3.96Å; C370-L1369 WeakPolarHBondContact O-CD1 3.5Å; C370-L1369 WeakPolarHBondContact O-CG 3.19Å; C370-L1369 PolarHBondContact O-N 3.15Å | ||
| 1370 | L | 24.6 | Very low | 25.1 | Very low | 67 Ų | 67 | 101.9 Ų | 101.9 | 35% | 0.351 | 52% | 0.524 | S | S | . | . | -172.8 | 155.3 | 113.5 | -176.9 | 58.1 | 0 | 0 | 0 | 110.4 | G367 I369 | G367-L1370 WeakPolarHBondContact O-CD1 2.99Å; I369-L1370 HydrophobicContact CB-CD1 4.44Å; I369-L1370 HydrophobicContact CD1-CD2 3.84Å; I369-L1370 HydrophobicContact CG1-CB 4.22Å; I369-L1370 HydrophobicContact CG1-CD1 3.69Å; I369-L1370 HydrophobicContact CG1-CD2 3.49Å; I369-L1370 VanDerWaalsContact CG1-CD2 3.49Å; I369-L1370 HydrophobicContact CG1-CG 3.91Å | |||
| 1371 | T | 23.8 | Very low | 25 | Very low | 99 Ų | 99 | 100.2 Ų | 100.2 | 61% | 0.607 | 52% | 0.519 | S | S | * | . | trans | 74.3 | 160.9 | 152.9 | 24.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1372 | L | 24.9 | Very low | 24.7 | Very low | 150 Ų | 150 | 101.9 Ų | 101.9 | 79% | 0.785 | 52% | 0.523 | S | S | * | . | trans | 67.6 | 112.3 | 160.9 | -94.1 | 68 | 0 | 0 | 0 | 114 | ||||
| 1373 | L | 29.7 | Very low | 24.4 | Very low | 137 Ų | 137 | 102 Ų | 102 | 72% | 0.717 | 52% | 0.52 | S | S | * | . | cis | -142.8 | 156.9 | 40.3 | -123.7 | 71.9 | 0 | 0 | 0 | 113.6 | ||||
| 1374 | N | 25 | Very low | 24.1 | Very low | 126 Ų | 126 | 99.6 Ų | 99.6 | 67% | 0.674 | 51% | 0.51 | S | S | * | . | trans | 25.8 | 137.5 | 142.9 | -62.2 | -16.8 | 0 | 0 | 0 | 121 | ||||
| 1375 | K | 21.6 | Very low | 23.8 | Very low | 176 Ų | 176 | 99.3 Ų | 99.3 | 77% | 0.765 | 51% | 0.505 | S | S | * | . | 68.3 | 143.6 | 51.5 | -151.1 | -171 | -169.7 | -174.9 | 0 | 112.3 | |||||
| 1376 | I | 22.9 | Very low | 23.8 | Very low | 114 Ų | 114 | 97.2 Ų | 97.2 | 59% | 0.585 | 50% | 0.495 | S | S | * | . | trans | 78 | 135.9 | 161.6 | -79.8 | 157.5 | 0 | 0 | 0 | 115.5 | E207 | E207-I1376 VanDerWaalsContact OE2-C 3.26Š| ||
| 1377 | L | 22.3 | Very low | 24.1 | Very low | 91 Ų | 91 | 93.7 Ų | 93.7 | 48% | 0.476 | 49% | 0.485 | S | S | . | . | cis | 178 | 134.5 | 2.8 | 168 | 122.7 | 0 | 0 | 0 | 112.7 | E207 N208 | E207-L1377 CarbonylContact C-O 3.38Å; E207-L1377 CarbonylContact O-C 3.55Å; E207-L1377 PolarHBondContact O-N 3Å; E207-L1377 WeakPolarHBondContact OE1-CA 3.28Å; E207-L1377 WeakPolarHBondContact OE2-CA 3.38Å; E207-L1377 PolarHBondContact OE2-N 2.9Å; N208-L1377 WeakPolarHBondContact CA-O 3.44Å; N208-L1377 PolarHBondContact N-O 3.23Å; N208-L1377 VanDerWaalsContact N-O 3.15Å | ||
| 1378 | H | 23.1 | Very low | 23.6 | Very low | 116 Ų | 116 | 92.3 Ų | 92.3 | 54% | 0.537 | 47% | 0.473 | S | S | . | . | trans | 102.3 | -105 | 158.1 | -151.8 | -12.3 | 0 | 0 | 0 | 122.3 | N206 E207 | N206-H1378 CarbonylContact C-O 3.57Å; N206-H1378 WeakPolarHBondContact CA-O 3.2Å; N206-H1378 PolarHBondContact OD1-O 3.03Å; N206-H1378 VanDerWaalsContact OD1-O 3.09Å; E207-H1378 VanDerWaalsContact N-C 3.34Å; E207-H1378 PolarHBondContact N-O 3.1Å; E207-H1378 PolarHBondContact OE1-N 2.96Å | ||
| 1379 | L | 23.7 | Very low | 23.5 | Very low | 72 Ų | 72 | 94 Ų | 94 | 38% | 0.377 | 48% | 0.481 | S | S | . | . | trans | -120.4 | 155 | -146.7 | -179.4 | 163.9 | 0 | 0 | 0 | 113.5 | T205 N206 E207 N208 | T205-L1379 CarbonylContact O-C 3.42Å; T205-L1379 VanDerWaalsContact O-O 3.11Å; N206-L1379 WeakPolarHBondContact OD1-CA 3.42Å; E207-L1379 PolarHBondContact N-O 3.38Å; N208-L1379 PolarHBondContact N-O 2.97Å | ||
| 1380 | E | 18.6 | Very low | 23.6 | Very low | 95 Ų | 95 | 94.7 Ų | 94.7 | 44% | 0.444 | 50% | 0.501 | S | S | . | . | cis | -167.9 | 145.5 | -29.5 | -172.1 | 134.9 | -128.5 | 0 | 0 | 112.4 | T204 T205 N206 | T204-E1380 CarbonylContact C-O 3.5Å; T204-E1380 VanDerWaalsContact CA-O 3.27Å; T204-E1380 WeakPolarHBondContact CA-O 3.39Å; T204-E1380 PolarHBondContact N-O 3.13Å; T204-E1380 VanDerWaalsContact N-O 3.09Å; T204-E1380 CarbonylContact O-C 3.5Å; T204-E1380 VanDerWaalsContact O-C 3.32Å; T204-E1380 PolarHBondContact O-N 3.4Å; T204-E1380 VanDerWaalsContact O-N 3.08Å; T204-E1380 PolarHBondContact OG1-O 2.96Å; T204-E1380 VanDerWaalsContact OG1-O 3.09Å; T205-E1380 PolarHBondContact N-O 3.17Å; T205-E1380 PolarHBondContact O-N 3.1Å; N206-E1380 PolarHBondContact ND2-OE1 3.03Å; N206-E1380 VanDerWaalsContact OD1-CA 3.25Å; N206-E1380 WeakPolarHBondContact OD1-CA 3.18Å; N206-E1380 WeakPolarHBondContact OD1-CB 3.32Å; N206-E1380 VanDerWaalsContact OD1-CD 3.23Å; N206-E1380 VanDerWaalsContact OD1-CG 3.31Å; N206-E1380 WeakPolarHBondContact OD1-CG 3Å; N206-E1380 PolarHBondContact OD1-OE1 3.27Å | ||
| 1381 | V | 22.6 | Very low | 23.5 | Very low | 69 Ų | 69 | 98.3 Ų | 98.3 | 42% | 0.418 | 52% | 0.521 | S | S | . | . | trans | 91.8 | -123.5 | 175.4 | -142.6 | 0 | 0 | 0 | 0 | 119.4 | P182 M203 T205 | P182-V1381 HydrophobicContact CG-CG1 4.2Å; M203-V1381 HydrophobicContact CE-CG1 3.58Å; M203-V1381 HydrophobicContact CG-CB 3.71Å; M203-V1381 HydrophobicContact CG-CG1 3.32Å; M203-V1381 HydrophobicContact SD-CG1 4.3Å; T205-V1381 VanDerWaalsContact CA-O 3.22Å; T205-V1381 WeakPolarHBondContact CA-O 3.04Å; T205-V1381 PolarHBondContact N-O 2.92Å | ||
| 1382 | E | 20.3 | Very low | 23.6 | Very low | 87 Ų | 87 | 101.2 Ų | 101.2 | 41% | 0.407 | 53% | 0.532 | S | S | . | . | trans | -149.3 | -85.7 | -157.9 | -145.5 | -156.8 | 89.9 | 0 | 0 | 121.2 | R184 M203 T204 | R184-E1382 IonicContact CZ-OE1 3.44Å; R184-E1382 IonicContact CZ-OE2 3.58Å; R184-E1382 IonicContact NH1-OE1 3.57Å; R184-E1382 PolarHBondContact NH1-OE1 2.93Å; R184-E1382 IonicContact NH1-OE2 3.55Å; R184-E1382 VanDerWaalsContact NH2-CD 3.3Å; R184-E1382 IonicContact NH2-OE1 3Å; R184-E1382 PolarHBondContact NH2-OE1 3.04Å; R184-E1382 IonicContact NH2-OE2 3.91Å; R184-E1382 PolarHBondContact NH2-OE2 2.78Å; M203-E1382 VanDerWaalsContact C-N 3.27Å; M203-E1382 HydrophobicContact CE-CB 3.59Å; M203-E1382 HydrophobicContact CE-CG 4.43Å; M203-E1382 HydrophobicContact CG-CB 3.71Å; M203-E1382 CarbonylContact O-C 3.51Å; M203-E1382 HydrophobicContact SD-CB 3.81Å; T204-E1382 VanDerWaalsContact N-N 3.11Å | ||
| 1383 | I | 22.4 | Very low | 23.4 | Very low | 63 Ų | 63 | 101.9 Ų | 101.9 | 32% | 0.323 | 53% | 0.533 | S | S | . | . | trans | -137 | -177.8 | -163 | 57.7 | 69.2 | 0 | 0 | 0 | 117.8 | D201 M203 H1385 | D201-I1383 HydrophobicContact CB-CD1 4.44Å; M203-I1383 VanDerWaalsContact CB-O 3.28Å; M203-I1383 WeakPolarHBondContact CB-O 3.35Å; M203-I1383 PolarHBondContact N-O 3.24Å; M203-I1383 PolarHBondContact O-N 3.37Å; M203-I1383 VanDerWaalsContact O-O 3.14Å; M203-I1383 HydrophobicContact SD-CD1 4.27Å; M203-I1383 HydrophobicContact SD-CG1 4.33Å; I1383-H1385 WeakPolarHBondContact CD1-ND1 3.07Å | ||
| 1384 | E | 20.2 | Very low | 23.2 | Very low | 93 Ų | 93 | 103 Ų | 103 | 44% | 0.435 | 54% | 0.538 | S | S | . | . | trans | -148.1 | 140.8 | -175.3 | -161.5 | 69.9 | 129.7 | 0 | 0 | 111.3 | L200 D201 L202 | L200-E1384 VanDerWaalsContact CB-CD 3.48Å; L200-E1384 HydrophobicContact CB-CG 3.83Å; L200-E1384 VanDerWaalsContact CB-OE2 3.23Å; L200-E1384 WeakPolarHBondContact CB-OE2 3.35Å; L200-E1384 HydrophobicContact CD1-CG 3.76Å; L200-E1384 HydrophobicContact CD2-CG 3.92Å; L200-E1384 HydrophobicContact CG-CG 4.06Å; D201-E1384 PolarHBondContact N-OE2 2.87Å; L202-E1384 WeakPolarHBondContact CA-OE2 3.29Å; L202-E1384 PolarHBondContact N-OE2 3.3Å | ||
| 1385 | H | 23.1 | Very low | 23.1 | Very low | 35 Ų | 35 | 106.8 Ų | 106.8 | 16% | 0.162 | 54% | 0.544 | C | S | . | . | trans | -145.2 | 171 | -166.5 | 56.7 | -117.6 | 0 | 0 | 0 | 124 | C186 C199 L200 D201 I1383 | C186-H1385 WeakPolarHBondContact CB-NE2 3.5Å; C199-H1385 CarbonylContact C-O 2.99Å; C199-H1385 CarbonylContact O-C 3.25Å; C199-H1385 PolarHBondContact O-CD2 3.31Å; C199-H1385 VanDerWaalsContact O-CD2 3.28Å; L200-H1385 VanDerWaalsContact CA-O 3.27Å; L200-H1385 WeakPolarHBondContact CA-O 3.35Å; L200-H1385 WeakPolarHBondContact CD2-O 3.36Å; L200-H1385 PolarHBondContact N-O 3.16Å; L200-H1385 VanDerWaalsContact N-O 3.1Å; D201-H1385 WeakPolarHBondContact CB-CE1 3.28Å; D201-H1385 VanDerWaalsContact CB-ND1 3.34Å; D201-H1385 WeakPolarHBondContact CB-ND1 3.09Å; D201-H1385 IonicContact OD1-CE1 3.07Å; D201-H1385 PolarHBondContact OD1-CE1 3.16Å; D201-H1385 IonicContact OD1-NE2 2.72Å; D201-H1385 IonicContact OD2-CE1 2.58Å; D201-H1385 PolarHBondContact OD2-CE1 3.47Å; D201-H1385 IonicContact OD2-ND1 2.65Å; D201-H1385 IonicContact OD2-NE2 2.84Å; I1383-H1385 WeakPolarHBondContact CD1-ND1 3.07Å | ||
| 1386 | H | 22.9 | Very low | 23.3 | Very low | 77 Ų | 77 | 103.8 Ų | 103.8 | 36% | 0.356 | 54% | 0.543 | S | S | . | . | trans | 70.6 | 158.5 | 142.8 | -100.3 | 27.7 | 0 | 0 | 0 | 121.5 | T198 C199 K1388 | T198-H1386 CarbonylContact C-O 3.57Å; T198-H1386 WeakPolarHBondContact CA-O 3.05Å; T198-H1386 WeakPolarHBondContact CB-O 3.1Å; T198-H1386 WeakPolarHBondContact CG2-O 3.24Å; T198-H1386 PolarHBondContact OG1-O 2.84Å; C199-H1386 HydrophobicContact CB-CB 4.27Å; C199-H1386 PolarHBondContact N-O 2.87Å; C199-H1386 VanDerWaalsContact O-CB 3.27Å; C199-H1386 WeakPolarHBondContact O-CB 3.47Å; H1386-K1388 PolarHBondContact CD2-NZ 2.96Å; H1386-K1388 PolarHBondContact NE2-NZ 3.42Å | ||
| 1387 | P | 30.9 | Very low | 23.3 | Very low | 51 Ų | 51 | 103.5 Ų | 103.5 | 33% | 0.331 | 55% | 0.546 | S | S | . | . | cis | -150.2 | -49.5 | -26.8 | 37.5 | -16.8 | 0 | 0 | 0 | 123.5 | A197 | A197-P1387 VanDerWaalsContact O-CD 3.23Å; A197-P1387 WeakPolarHBondContact O-CD 3.47Å | ||
| 1388 | K | 23.2 | Very low | 23.3 | Very low | 97 Ų | 97 | 105.6 Ų | 105.6 | 42% | 0.422 | 56% | 0.563 | S | S | . | * | trans | -140.5 | 129.7 | -137.3 | -85.6 | 142.9 | -161.7 | 149.2 | 0 | 120.2 | S190 N196 H1386 | S190-K1388 PolarHBondContact OG-NZ 3.09Å; N196-K1388 WeakPolarHBondContact CB-O 3.38Å; H1386-K1388 PolarHBondContact CD2-NZ 2.96Å; H1386-K1388 PolarHBondContact NE2-NZ 3.42Å | ||
| 1389 | T | 23.8 | Very low | 23.2 | Very low | 104 Ų | 104 | 109.2 Ų | 109.2 | 64% | 0.638 | 57% | 0.573 | S | S | * | * | trans | 86.7 | 147.1 | 140 | 62.8 | 0 | 0 | 0 | 0 | 124.3 | N196 | N196-T1389 PolarHBondContact ND2-O 3.26Å; N196-T1389 PolarHBondContact ND2-OG1 3.4Å | ||
| 1390 | G | 25.2 | Very low | 23.2 | Very low | 69 Ų | 69 | 111 Ų | 111 | 71% | 0.711 | 58% | 0.582 | S | S | * | * | trans | -164.1 | -43.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1391 | N | 24.1 | Very low | 23.5 | Very low | 143 Ų | 143 | 111.6 Ų | 111.6 | 77% | 0.765 | 59% | 0.592 | S | S | * | * | trans | 43 | 124.9 | 166 | -70.4 | -18.2 | 0 | 0 | 0 | 124.2 | ||||
| 1392 | L | 25.4 | Very low | 23.6 | Very low | 160 Ų | 160 | 111.3 Ų | 111.3 | 84% | 0.838 | 59% | 0.588 | S | S | * | * | 177.6 | 119.1 | 125.5 | -113.6 | 81.4 | 0 | 0 | 0 | 108 | |||||
| 1393 | M | 21 | Very low | 24 | Very low | 164 Ų | 164 | 116.4 Ų | 116.4 | 81% | 0.808 | 61% | 0.605 | S | S | * | * | 73.8 | 111.6 | 64.2 | -69.5 | -86.6 | -88.5 | 0 | 0 | 116.5 | |||||
| 1394 | I | 25.2 | Very low | 24.3 | Very low | 162 Ų | 162 | 118.3 Ų | 118.3 | 83% | 0.831 | 62% | 0.619 | S | S | * | * | 173.9 | 136.7 | 121.7 | -88.5 | 159.1 | 0 | 0 | 0 | 112.7 | |||||
| 1395 | Y | 22.1 | Very low | 24.5 | Very low | 204 Ų | 204 | 117.7 Ų | 117.7 | 80% | 0.8 | 62% | 0.619 | S | S | * | * | trans | -83.5 | 161.8 | 172.7 | -91.1 | -108.2 | 0 | 0 | 0 | 111.2 | ||||
| 1396 | P | 27.4 | Very low | 24.7 | Very low | 114 Ų | 114 | 124 Ų | 124 | 74% | 0.74 | 65% | 0.654 | S | S | * | * | -160.8 | 151 | 57 | 41.1 | -17.8 | 0 | 0 | 0 | 122.1 | |||||
| 1397 | V | 21.8 | Very low | 24.7 | Very low | 108 Ų | 108 | 127.1 Ų | 127.1 | 66% | 0.655 | 67% | 0.674 | S | S | * | * | 33.8 | 127.5 | 129.9 | -158.9 | 0 | 0 | 0 | 0 | 122 | |||||
| 1398 | V | 22.8 | Very low | 24.5 | Very low | 135 Ų | 135 | 134.7 Ų | 134.7 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | trans | 146.8 | 146 | 133 | 160.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1399 | Y | 21.2 | Very low | 24.5 | Very low | 192 Ų | 192 | 137.9 Ų | 137.9 | 75% | 0.753 | 71% | 0.713 | S | S | * | * | cis | 179.3 | 156.6 | -40.6 | -140.6 | -76.4 | 0 | 0 | 0 | 107.8 | ||||
| 1400 | I | 23.2 | Very low | 24.4 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 56% | 0.559 | 72% | 0.72 | S | S | * | * | trans | 59.7 | 153.6 | 168.3 | 26.3 | 179.3 | 0 | 0 | 0 | 118.3 | N2517 | I1400-N2517 WeakPolarHBondContact CG2-ND2 2.91Š| ||
| 1401 | T | 25.9 | Very low | 24.3 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 66% | 0.663 | 72% | 0.72 | S | S | * | * | cis | -141.4 | 138.8 | 5.9 | 32.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1402 | N | 23.9 | Very low | 24.3 | Very low | 62 Ų | 62 | 140.7 Ų | 140.7 | 33% | 0.332 | 72% | 0.716 | S | S | . | * | 85.1 | 115 | 56.8 | -80.6 | 81.5 | 0 | 0 | 0 | 117 | I2516 N2517 | N1402-I2516 HydrophobicContact CB-CG1 4.09Å; N1402-I2516 HydrophobicContact CB-CG2 3.82Å; N1402-I2516 WeakPolarHBondContact ND2-CG1 3.16Å; N1402-N2517 HydrophobicContact CB-CB 4.2Å; N1402-N2517 VanDerWaalsContact CG-CG 3.46Å; N1402-N2517 PolarHBondContact ND2-ND2 3.15Å; N1402-N2517 PolarHBondContact ND2-OD1 3.15Å; N1402-N2517 VanDerWaalsContact ND2-OD1 3.16Å; N1402-N2517 PolarHBondContact OD1-ND2 2.98Å; N1402-N2517 VanDerWaalsContact OD1-ND2 3.1Å | |||
| 1403 | Y | 28.4 | Very low | 24.2 | Very low | 194 Ų | 194 | 141.3 Ų | 141.3 | 76% | 0.761 | 71% | 0.712 | S | S | * | * | trans | 172 | 140.9 | 154.5 | -91.6 | -50.4 | 0 | 0 | 0 | 110.2 | I2516 | Y1403-I2516 HydrophobicContact CD1-CG2 3.9Å; Y1403-I2516 HydrophobicContact CE1-CG2 4.26Å | ||
| 1404 | T | 29.7 | Very low | 24.4 | Very low | 103 Ų | 103 | 141.1 Ų | 141.1 | 63% | 0.632 | 71% | 0.709 | S | S | * | * | cis | -147.6 | 175.5 | -6 | -45.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 1405 | N | 23.3 | Very low | 24.3 | Very low | 81 Ų | 81 | 138.9 Ų | 138.9 | 43% | 0.433 | 70% | 0.703 | S | S | . | * | trans | -77.4 | 160.7 | 162.7 | -54.6 | -89.6 | 0 | 0 | 0 | 112.1 | T2514 H2515 | N1405-T2514 PolarHBondContact OD1-O 3.27Å; N1405-H2515 VanDerWaalsContact CG-O 3.31Å; N1405-H2515 PolarHBondContact ND2-O 3.49Å; N1405-H2515 PolarHBondContact OD1-N 2.75Å; N1405-H2515 PolarHBondContact OD1-O 2.97Å | ||
| 1406 | D | 27.4 | Very low | 24.6 | Very low | 166 Ų | 166 | 136.2 Ų | 136.2 | 89% | 0.888 | 70% | 0.701 | S | S | * | * | -167.3 | 165.9 | 129.8 | -103.2 | -23.6 | 0 | 0 | 0 | 111.7 | |||||
| 1407 | D | 22.8 | Very low | 24.4 | Very low | 144 Ų | 144 | 138.7 Ų | 138.7 | 77% | 0.77 | 70% | 0.703 | S | S | * | * | trans | -89.1 | -176.7 | -176.4 | -76.9 | -60.1 | 0 | 0 | 0 | 114.7 | ||||
| 1408 | Y | 26.1 | Very low | 24.6 | Very low | 210 Ų | 210 | 139.9 Ų | 139.9 | 82% | 0.824 | 71% | 0.705 | S | S | * | * | trans | 77.2 | 113.6 | 173.3 | -68.2 | -92.9 | 0 | 0 | 0 | 116.5 | ||||
| 1409 | E | 23.2 | Very low | 24.8 | Very low | 163 Ų | 163 | 141.6 Ų | 141.6 | 76% | 0.762 | 70% | 0.701 | S | S | * | * | 62.1 | 95.8 | 73.1 | -79.9 | -147.9 | 136.5 | 0 | 0 | 116.5 | |||||
| 1410 | N | 22.4 | Very low | 24.9 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 77% | 0.77 | 71% | 0.705 | S | S | * | * | trans | 55.5 | 133.5 | 130.4 | -86.9 | -30.9 | 0 | 0 | 0 | 123.1 | ||||
| 1411 | S | 23.3 | Very low | 25.2 | Very low | 104 Ų | 104 | 139.1 Ų | 139.1 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | trans | 73.8 | 168.2 | 152.4 | 80.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1412 | L | 24.1 | Very low | 25.3 | Very low | 127 Ų | 127 | 140.7 Ų | 140.7 | 67% | 0.665 | 71% | 0.714 | S | S | * | * | cis | -165.8 | 130.9 | 42.3 | -170.4 | 70 | 0 | 0 | 0 | 113.8 | ||||
| 1413 | F | 22.9 | Very low | 25.4 | Very low | 174 Ų | 174 | 144.4 Ų | 144.4 | 76% | 0.763 | 73% | 0.733 | S | S | * | * | trans | 67.7 | 165.1 | 152.9 | -74.5 | -165.7 | 0 | 0 | 0 | 117.8 | ||||
| 1414 | Q | 24.6 | Very low | 25.3 | Very low | 159 Ų | 159 | 142 Ų | 142 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | cis | -157.4 | 148.6 | 14.8 | -144.9 | 173.5 | 22.2 | 0 | 0 | 114.9 | ||||
| 1415 | T | 24.1 | Very low | 25.1 | Very low | 116 Ų | 116 | 142.7 Ų | 142.7 | 71% | 0.712 | 74% | 0.737 | S | S | * | * | trans | 80.2 | 152.2 | 150.5 | -15.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1416 | I | 27.4 | Very low | 25.1 | Very low | 148 Ų | 148 | 143 Ų | 143 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | trans | 76.9 | 92.8 | 167.8 | -51 | 179 | 0 | 0 | 0 | 114.5 | ||||
| 1417 | Q | 23.2 | Very low | 25 | Very low | 165 Ų | 165 | 143.5 Ų | 143.5 | 77% | 0.771 | 74% | 0.743 | S | S | * | * | 81.3 | 109.3 | 70.2 | -88.7 | -156.1 | -7.5 | 0 | 0 | 116 | |||||
| 1418 | L | 26.4 | Very low | 25.2 | Very low | 134 Ų | 134 | 145 Ų | 145 | 70% | 0.702 | 75% | 0.745 | S | S | * | * | 157.5 | 143.7 | 93.3 | -102.9 | 156.5 | 0 | 0 | 0 | 113.5 | |||||
| 1419 | K | 26.8 | Very low | 25.1 | Very low | 170 Ų | 170 | 142.4 Ų | 142.4 | 74% | 0.739 | 75% | 0.745 | S | S | * | * | trans | 67.1 | 109.9 | 164.2 | -66.6 | 175.8 | -178.5 | 179.9 | 0 | 116 | ||||
| 1420 | N | 25.1 | Very low | 25 | Very low | 156 Ų | 156 | 140.4 Ų | 140.4 | 83% | 0.834 | 74% | 0.739 | S | S | * | * | 81.3 | 132.7 | 76.6 | -70.9 | 16.5 | 0 | 0 | 0 | 111.4 | |||||
| 1421 | S | 27.8 | Very low | 25.3 | Very low | 93 Ų | 93 | 138.3 Ų | 138.3 | 65% | 0.65 | 73% | 0.731 | S | S | * | * | cis | -153.5 | 142.1 | 19.5 | 51.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1422 | N | 27.9 | Very low | 25.4 | Very low | 142 Ų | 142 | 140.8 Ų | 140.8 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | trans | 69.6 | 139 | 147.2 | -57.9 | -3.9 | 0 | 0 | 0 | 118 | ||||
| 1423 | L | 27 | Very low | 25.4 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 73% | 0.728 | 73% | 0.732 | S | S | * | * | cis | -152 | 132.6 | 1.2 | -151.1 | 71.2 | 0 | 0 | 0 | 113.1 | ||||
| 1424 | L | 25.3 | Very low | 25.4 | Very low | 143 Ų | 143 | 137.7 Ų | 137.7 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | trans | 70.6 | 137.5 | 156.6 | -75.7 | 160.2 | 0 | 0 | 0 | 123 | ||||
| 1425 | T | 25.2 | Very low | 25.1 | Very low | 118 Ų | 118 | 136 Ų | 136 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | trans | 52.3 | 116.8 | 156 | 52.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1426 | S | 24.1 | Very low | 25.3 | Very low | 89 Ų | 89 | 137.5 Ų | 137.5 | 62% | 0.622 | 73% | 0.728 | S | S | * | * | cis | 86.5 | 119.6 | 38.1 | 79.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1427 | E | 25.2 | Very low | 25.4 | Very low | 176 Ų | 176 | 139.4 Ų | 139.4 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | trans | 59.6 | 142 | 136.9 | -68.8 | 172.6 | -167 | 0 | 0 | 120.9 | ||||
| 1428 | E | 27.6 | Very low | 25.7 | Very low | 174 Ų | 174 | 135.7 Ų | 135.7 | 81% | 0.813 | 72% | 0.718 | S | S | * | * | cis | -167.4 | -177.7 | -24.4 | -138.1 | -178.4 | -157.7 | 0 | 0 | 110.4 | N1430 | E1428-N1430 PolarHBondContact O-N 3.26Å; E1428-N1430 VanDerWaalsContact O-N 3.08Å | ||
| 1429 | L | 22.9 | Very low | 25.6 | Very low | 157 Ų | 157 | 137.8 Ų | 137.8 | 82% | 0.822 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -66 | 106 | 174.7 | -160.9 | 178.1 | 0 | 0 | 0 | 110.9 | ||
| 1430 | N | 22.5 | Very low | 25.7 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 64% | 0.642 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 75.9 | 136.4 | 173.1 | -139 | -40.8 | 0 | 0 | 0 | 116.3 | E1428 | E1428-N1430 PolarHBondContact O-N 3.26Å; E1428-N1430 VanDerWaalsContact O-N 3.08Å |
| 1431 | T | 27.7 | Very low | 25.6 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 61% | 0.613 | 70% | 0.703 | S | S | * | * | trans | -32.4 | 133.5 | 160.3 | 61.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1432 | K | 25.2 | Very low | 25.5 | Very low | 157 Ų | 157 | 140.5 Ų | 140.5 | 68% | 0.683 | 71% | 0.711 | S | S | * | * | 167.3 | 157.9 | 110.2 | -89.2 | 158.9 | -141.3 | 68.3 | 0 | 111.6 | |||||
| 1433 | S | 24.7 | Very low | 25.2 | Very low | 104 Ų | 104 | 142 Ų | 142 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | trans | 61.6 | 144.9 | 158.2 | 37.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1434 | V | 22.2 | Very low | 25.3 | Very low | 132 Ų | 132 | 142 Ų | 142 | 80% | 0.8 | 72% | 0.719 | S | S | * | * | cis | -86.7 | 115.2 | 26.8 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1435 | E | 20.1 | Very low | 25.1 | Very low | 124 Ų | 124 | 141 Ų | 141 | 58% | 0.579 | 71% | 0.714 | S | S | * | * | 55.9 | 131.2 | 96.4 | -60.2 | -165.9 | 108.8 | 0 | 0 | 112.6 | |||||
| 1436 | I | 28.2 | Very low | 25 | Very low | 147 Ų | 147 | 143 Ų | 143 | 75% | 0.754 | 72% | 0.717 | S | S | * | * | -127.1 | 101.8 | 59 | -79.9 | 175.3 | 0 | 0 | 0 | 112.9 | |||||
| 1437 | R | 29 | Very low | 25.1 | Very low | 188 Ų | 188 | 147.7 Ų | 147.7 | 71% | 0.709 | 73% | 0.726 | S | S | * | * | 78.4 | 154.9 | 112.7 | -158.8 | -176 | -158.2 | 161 | 7.5 | 118.7 | |||||
| 1438 | S | 29.5 | Very low | 25.1 | Very low | 87 Ų | 87 | 143.8 Ų | 143.8 | 61% | 0.608 | 72% | 0.719 | S | S | * | * | trans | 78.4 | 113.4 | 165.2 | -126.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1439 | R | 22.8 | Very low | 24.9 | Very low | 178 Ų | 178 | 140.7 Ų | 140.7 | 67% | 0.672 | 72% | 0.717 | S | S | * | * | cis | 54.2 | 127.2 | 46.6 | -38.1 | 173.3 | -163.3 | 178.2 | 5.9 | 109.3 | ||||
| 1440 | Y | 29.4 | Very low | 24.9 | Very low | 166 Ų | 166 | 140.7 Ų | 140.7 | 65% | 0.651 | 72% | 0.717 | S | S | * | * | cis | -149.2 | 135.5 | 41.4 | -88.8 | -91.9 | 0 | 0 | 0 | 107.5 | ||||
| 1441 | S | 22.9 | Very low | 25 | Very low | 90 Ų | 90 | 139.7 Ų | 139.7 | 63% | 0.629 | 72% | 0.719 | S | S | * | * | 52.4 | 106.1 | 61.9 | -178.5 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1442 | R | 26.1 | Very low | 24.7 | Very low | 219 Ų | 219 | 141.9 Ų | 141.9 | 83% | 0.826 | 73% | 0.727 | S | S | * | * | -167.1 | 135.1 | 124.1 | -105.6 | 159.7 | -159.9 | -175.7 | 6.6 | 113.7 | |||||
| 1443 | H | 22.5 | Very low | 24.7 | Very low | 173 Ų | 173 | 144.4 Ų | 144.4 | 80% | 0.801 | 74% | 0.738 | S | S | * | * | trans | -60 | 137.2 | 162.4 | -52.5 | -86 | 0 | 0 | 0 | 111.9 | ||||
| 1444 | V | 27.9 | Very low | 24.5 | Very low | 141 Ų | 141 | 146.8 Ų | 146.8 | 86% | 0.855 | 74% | 0.737 | S | S | * | * | trans | -131.9 | 99.8 | 136.4 | -176.2 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 1445 | N | 21.7 | Very low | 24.5 | Very low | 121 Ų | 121 | 146.9 Ų | 146.9 | 65% | 0.647 | 73% | 0.732 | S | S | * | * | 78.9 | 127.4 | 57.4 | -149.8 | 6.1 | 0 | 0 | 0 | 112.5 | |||||
| 1446 | M | 23.6 | Very low | 24.6 | Very low | 160 Ų | 160 | 147.5 Ų | 147.5 | 79% | 0.788 | 74% | 0.739 | S | S | * | * | trans | 65.8 | 129 | 176.4 | -45.6 | -178.6 | -175.7 | 0 | 0 | 115.7 | ||||
| 1447 | K | 25.1 | Very low | 24.3 | Very low | 187 Ų | 187 | 147.1 Ų | 147.1 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | cis | -146.3 | 139.7 | 25 | -77 | -175 | -179.5 | 174.9 | 0 | 109.2 | ||||
| 1448 | S | 24.9 | Very low | 24.1 | Very low | 95 Ų | 95 | 143.4 Ų | 143.4 | 66% | 0.664 | 73% | 0.731 | S | S | * | * | cis | 93.4 | 143.1 | 41.3 | 82 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1449 | S | 24.8 | Very low | 23.8 | Very low | 109 Ų | 109 | 146 Ų | 146 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | trans | 64.4 | 156.3 | 164.5 | 58.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1450 | L | 22.9 | Very low | 23.9 | Very low | 157 Ų | 157 | 143.4 Ų | 143.4 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | cis | -175.4 | 172.3 | -36.2 | -149.8 | 75.1 | 0 | 0 | 0 | 106.6 | ||||
| 1451 | S | 23.7 | Very low | 23.9 | Very low | 98 Ų | 98 | 141.2 Ų | 141.2 | 69% | 0.685 | 73% | 0.729 | S | S | * | * | trans | 59.5 | 113.7 | 157.7 | 62.3 | 0 | 0 | 0 | 0 | 119.4 | K1453 | S1451-K1453 PolarHBondContact O-N 3.47Š| ||
| 1452 | N | 21.9 | Very low | 23.9 | Very low | 146 Ų | 146 | 144 Ų | 144 | 78% | 0.781 | 73% | 0.732 | S | S | * | * | 15.2 | 104.5 | 121.2 | -59.6 | 0.3 | 0 | 0 | 0 | 116.8 | |||||
| 1453 | K | 24.1 | Very low | 23.9 | Very low | 210 Ų | 210 | 140 Ų | 140 | 91% | 0.913 | 72% | 0.721 | S | S | * | * | trans | -111.4 | 82.4 | 136.3 | -103.7 | -169.4 | 173.5 | -173.1 | 0 | 109.8 | S1451 | S1451-K1453 PolarHBondContact O-N 3.47Š| ||
| 1454 | Q | 21.6 | Very low | 24.1 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 72% | 0.724 | 72% | 0.721 | S | S | * | * | trans | -71.3 | 161.6 | 156.2 | -167.4 | -176.1 | 3.5 | 0 | 0 | 108.6 | ||||
| 1455 | L | 22.4 | Very low | 24 | Very low | 133 Ų | 133 | 141.8 Ų | 141.8 | 70% | 0.696 | 72% | 0.715 | S | S | * | * | trans | 65.9 | 146 | -179.6 | -69.8 | 106 | 0 | 0 | 0 | 114.8 | ||||
| 1456 | L | 21.2 | Very low | 24.2 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 72% | 0.717 | 71% | 0.708 | S | S | * | * | cis | -168.2 | -177.9 | -22 | -153.2 | 74.9 | 0 | 0 | 0 | 105.1 | ||||
| 1457 | I | 22.9 | Very low | 24.3 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 72% | 0.718 | 71% | 0.706 | S | S | * | * | trans | 69.2 | 117.7 | 162.9 | -64 | 156.6 | 0 | 0 | 0 | 112.4 | ||||
| 1458 | D | 24.6 | Very low | 24.2 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 58% | 0.583 | 70% | 0.7 | S | S | * | * | cis | -149.2 | 152 | 15.3 | -112.2 | 1.7 | 0 | 0 | 0 | 110.9 | ||||
| 1459 | Q | 22.5 | Very low | 24.2 | Very low | 142 Ų | 142 | 143.9 Ų | 143.9 | 66% | 0.664 | 70% | 0.704 | S | S | * | * | 48.1 | 127.5 | 90.4 | -55.5 | -175.1 | 63.6 | 0 | 0 | 112.6 | |||||
| 1460 | N | 25.7 | Very low | 24.2 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 66% | 0.663 | 70% | 0.698 | S | S | * | * | cis | -158.8 | 170.8 | 29.5 | -96.4 | -43.9 | 0 | 0 | 0 | 109.4 | ||||
| 1461 | E | 28.9 | Very low | 24.1 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 56% | 0.556 | 69% | 0.691 | S | S | * | * | cis | -147 | 141.4 | -3.9 | -118.8 | -158.5 | 112.9 | 0 | 0 | 106.8 | K1463 | E1461-K1463 WeakPolarHBondContact OE1-CE 3.24Å; E1461-K1463 IonicContact OE1-NZ 3.18Å; E1461-K1463 PolarHBondContact OE1-NZ 2.68Å; E1461-K1463 IonicContact OE2-NZ 2.83Å; E1461-K1463 PolarHBondContact OE2-NZ 2.94Å | ||
| 1462 | Q | 22.4 | Very low | 24 | Very low | 150 Ų | 150 | 146.6 Ų | 146.6 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | 35.5 | 131.2 | 104.6 | -46.1 | -173.9 | 30.5 | 0 | 0 | 116 | |||||
| 1463 | K | 26.9 | Very low | 24.2 | Very low | 134 Ų | 134 | 143 Ų | 143 | 58% | 0.583 | 70% | 0.7 | S | S | * | * | -168.5 | 144 | 59.4 | -68.3 | 145.6 | -158.4 | 64.3 | 0 | 105.5 | E1461 | E1461-K1463 WeakPolarHBondContact OE1-CE 3.24Å; E1461-K1463 IonicContact OE1-NZ 3.18Å; E1461-K1463 PolarHBondContact OE1-NZ 2.68Å; E1461-K1463 IonicContact OE2-NZ 2.83Å; E1461-K1463 PolarHBondContact OE2-NZ 2.94Å | |||
| 1464 | K | 26.2 | Very low | 24.2 | Very low | 187 Ų | 187 | 137.8 Ų | 137.8 | 81% | 0.813 | 69% | 0.69 | S | S | * | * | cis | -165.8 | -177.4 | 6.9 | -83.1 | 149.5 | 179.9 | 177.7 | 0 | 104.8 | ||||
| 1465 | K | 26.1 | Very low | 24.3 | Very low | 165 Ų | 165 | 138.2 Ų | 138.2 | 72% | 0.717 | 69% | 0.692 | S | S | * | * | cis | -177.4 | 155.3 | -32.6 | -92.1 | -159.5 | 87.9 | -156.5 | 0 | 104.3 | ||||
| 1466 | I | 26 | Very low | 24.4 | Very low | 100 Ų | 100 | 138.5 Ų | 138.5 | 51% | 0.513 | 70% | 0.699 | S | S | . | * | cis | -171.7 | 172.1 | -17.5 | -168.4 | 159.7 | 0 | 0 | 0 | 107.4 | ||||
| 1467 | Y | 25.9 | Very low | 24.5 | Very low | 187 Ų | 187 | 140.3 Ų | 140.3 | 73% | 0.733 | 70% | 0.697 | S | S | * | * | trans | 73.4 | 121.2 | -174.1 | -56.4 | -61.4 | 0 | 0 | 0 | 113.1 | ||||
| 1468 | Q | 22 | Very low | 24.5 | Very low | 149 Ų | 149 | 141.6 Ų | 141.6 | 70% | 0.696 | 71% | 0.705 | S | S | * | * | cis | 73.7 | 106.1 | 31 | -52.4 | 179.4 | -74.9 | 0 | 0 | 115.6 | ||||
| 1469 | K | 25.6 | Very low | 24.4 | Very low | 171 Ų | 171 | 144.7 Ų | 144.7 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | -176.6 | 136.1 | 105.9 | -95.5 | -173.2 | 165.9 | -76.2 | 0 | 107.6 | |||||
| 1470 | E | 24.7 | Very low | 24.6 | Very low | 135 Ų | 135 | 145.9 Ų | 145.9 | 63% | 0.631 | 72% | 0.723 | S | S | * | * | 53.7 | 128.1 | 74.3 | -60.1 | 171.1 | -177.9 | 0 | 0 | 112.3 | |||||
| 1471 | S | 20.9 | Very low | 24.4 | Very low | 97 Ų | 97 | 147.1 Ų | 147.1 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | cis | 147.2 | 144 | -14.6 | 50.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1472 | M | 21.9 | Very low | 24.1 | Very low | 189 Ų | 189 | 146 Ų | 146 | 93% | 0.931 | 74% | 0.735 | S | S | * | * | trans | 74.3 | 158.4 | 167.5 | -60.1 | -175 | 170.2 | 0 | 0 | 118.8 | ||||
| 1473 | G | 26 | Very low | 24.2 | Very low | 70 Ų | 70 | 147.6 Ų | 147.6 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | trans | 109.2 | 59.6 | -166 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1474 | S | 25.2 | Very low | 24.1 | Very low | 100 Ų | 100 | 149 Ų | 149 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | 59.3 | 102.5 | 66.9 | -49.6 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1475 | Q | 22.1 | Very low | 24 | Very low | 164 Ų | 164 | 145.4 Ų | 145.4 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | 50.7 | 105.3 | 80.3 | -73.5 | -167.9 | -14.4 | 0 | 0 | 115.2 | |||||
| 1476 | V | 25.1 | Very low | 23.9 | Very low | 139 Ų | 139 | 145.3 Ų | 145.3 | 84% | 0.842 | 74% | 0.739 | S | S | * | * | trans | -156.9 | 120.1 | 135.4 | 175.1 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 1477 | Y | 22.7 | Very low | 23.8 | Very low | 175 Ų | 175 | 148.1 Ų | 148.1 | 69% | 0.686 | 75% | 0.75 | S | S | * | * | cis | 75.5 | 88.2 | 37.6 | -88.2 | -66.1 | 0 | 0 | 0 | 117.6 | K1479 | Y1477-K1479 HydrophobicContact CD1-CB 4.36Š| ||
| 1478 | L | 24.1 | Very low | 23.7 | Very low | 168 Ų | 168 | 146.1 Ų | 146.1 | 88% | 0.88 | 76% | 0.758 | S | S | * | * | trans | -130.4 | 117.1 | 143.2 | -72.1 | 167.5 | 0 | 0 | 0 | 104.7 | ||||
| 1479 | K | 22.2 | Very low | 23.8 | Very low | 173 Ų | 173 | 142.1 Ų | 142.1 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | cis | 64.3 | 79.6 | 14.8 | -158 | 176.8 | -174.5 | 177.3 | 0 | 115 | Y1477 | Y1477-K1479 HydrophobicContact CD1-CB 4.36Š| ||
| 1480 | L | 25.4 | Very low | 23.8 | Very low | 168 Ų | 168 | 137.1 Ų | 137.1 | 88% | 0.88 | 75% | 0.753 | S | S | * | * | trans | -128.8 | 135.6 | 138.7 | -102.9 | 169.7 | 0 | 0 | 0 | 108.4 | ||||
| 1481 | N | 21.9 | Very low | 23.9 | Very low | 149 Ų | 149 | 136 Ų | 136 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | -134.3 | 116 | 178.7 | 172.2 | -2.7 | 0 | 0 | 0 | 107.3 | ||||
| 1482 | S | 24.1 | Very low | 23.9 | Very low | 96 Ų | 96 | 136.8 Ų | 136.8 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | trans | -174.6 | 141 | 176.9 | 51.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1483 | K | 23.9 | Very low | 24 | Very low | 184 Ų | 184 | 137.2 Ų | 137.2 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | cis | -175.8 | 139.6 | -20.6 | -145.6 | -179.9 | -178.4 | 176.2 | 0 | 108.1 | ||||
| 1484 | K | 24.1 | Very low | 23.9 | Very low | 162 Ų | 162 | 142.2 Ų | 142.2 | 70% | 0.704 | 76% | 0.763 | S | S | * | * | trans | 62.3 | 168.8 | 171.3 | -60 | -168.8 | 166.1 | -157.8 | 0 | 114.8 | Y1486 | K1484-Y1486 HydrophobicContact CG-CD2 4.44Š| ||
| 1485 | C | 25.3 | Very low | 23.7 | Very low | 112 Ų | 112 | 143 Ų | 143 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | cis | -115.6 | 142.3 | -3.5 | -90.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1486 | Y | 23.9 | Very low | 23.7 | Very low | 163 Ų | 163 | 141.6 Ų | 141.6 | 64% | 0.639 | 76% | 0.762 | S | S | * | * | 79.8 | 119.9 | 63.7 | -99.4 | -93.1 | 0 | 0 | 0 | 114.6 | K1484 | K1484-Y1486 HydrophobicContact CG-CD2 4.44Š| |||
| 1487 | E | 22.5 | Very low | 23.5 | Very low | 159 Ų | 159 | 140.6 Ų | 140.6 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | 46.9 | 97.3 | 151.3 | -70.1 | 161.1 | -161.6 | 0 | 0 | 119.1 | ||||
| 1488 | T | 24.3 | Very low | 23.5 | Very low | 145 Ų | 145 | 142.7 Ų | 142.7 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | 167.9 | 131.5 | 97.2 | 42.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1489 | G | 24.9 | Very low | 23.4 | Very low | 66 Ų | 66 | 139.1 Ų | 139.1 | 68% | 0.68 | 76% | 0.76 | S | S | * | * | trans | 86.9 | 141.1 | 149.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1490 | G | 24.8 | Very low | 23.3 | Very low | 65 Ų | 65 | 135.7 Ų | 135.7 | 67% | 0.67 | 76% | 0.763 | S | S | * | * | trans | 94.8 | 108.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | C1492 | G1490-C1492 PolarHBondContact O-N 3.36Š| ||
| 1491 | P | 26.4 | Very low | 23.2 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | trans | -86.2 | 99.2 | 169.1 | 33.1 | -29.4 | 0 | 0 | 0 | 110.7 | ||||
| 1492 | C | 22.3 | Very low | 23.1 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | -140.7 | 86.4 | 175.2 | -74.5 | 0 | 0 | 0 | 0 | 111.3 | G1490 | G1490-C1492 PolarHBondContact O-N 3.36Š| ||
| 1493 | F | 23.3 | Very low | 22.9 | Very low | 198 Ų | 198 | 141.6 Ų | 141.6 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | trans | -158.4 | 55 | 153.4 | -96.9 | -60.2 | 0 | 0 | 0 | 110.2 | ||||
| 1494 | H | 22.6 | Very low | 22.9 | Very low | 176 Ų | 176 | 138.7 Ų | 138.7 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | trans | -81.5 | 154.6 | 145 | -117.3 | -97.8 | 0 | 0 | 0 | 108.1 | ||||
| 1495 | N | 22.2 | Very low | 22.7 | Very low | 117 Ų | 117 | 135 Ų | 135 | 63% | 0.626 | 77% | 0.77 | S | S | * | * | trans | 57.2 | 101.2 | 178.1 | -61.1 | 5.7 | 0 | 0 | 0 | 115.9 | ||||
| 1496 | V | 22.5 | Very low | 22.4 | Very low | 133 Ų | 133 | 138.9 Ų | 138.9 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | -98.5 | 89.9 | 125.3 | 176.3 | 0 | 0 | 0 | 0 | 104.2 | |||||
| 1497 | D | 20.3 | Very low | 22.4 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | 57.2 | 117 | 85.9 | -81.4 | -2.4 | 0 | 0 | 0 | 114.7 | A1499 | D1497-A1499 PolarHBondContact O-N 3.28Š| |||
| 1498 | F | 23.2 | Very low | 22.4 | Very low | 218 Ų | 218 | 140.1 Ų | 140.1 | 96% | 0.956 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -45.9 | 96.1 | 163.9 | -115.1 | -104.7 | 0 | 0 | 0 | 112.7 | ||
| 1499 | A | 21.1 | Very low | 22.3 | Very low | 93 Ų | 93 | 139.1 Ų | 139.1 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -157.3 | 42 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | D1497 | D1497-A1499 PolarHBondContact O-N 3.28Š| ||
| 1500 | A | 20.8 | Very low | 22.4 | Very low | 101 Ų | 101 | 146.9 Ų | 146.9 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -141.4 | -12.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 1501 | Q | 22.4 | Very low | 22.2 | Very low | 172 Ų | 172 | 150 Ų | 150 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -142.2 | 103.8 | 170 | -56 | -174 | 43.9 | 0 | 0 | 105.8 | ||
| 1502 | F | 19.4 | Very low | 22.3 | Very low | 198 Ų | 198 | 153 Ų | 153 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | S | Bend | -150.3 | 114.9 | 56 | -119.3 | -106.3 | 0 | 0 | 0 | 112.6 | |||
| 1503 | L | 21.4 | Very low | 22.5 | Very low | 167 Ų | 167 | 152.5 Ų | 152.5 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -163.3 | 151 | 143.2 | -142.3 | 77.6 | 0 | 0 | 0 | 113.1 | ||||
| 1504 | T | 22.9 | Very low | 22.7 | Very low | 124 Ų | 124 | 149 Ų | 149 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | trans | 90.4 | 77.2 | 171.7 | -37.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1505 | A | 20.4 | Very low | 22.8 | Very low | 83 Ų | 83 | 148.2 Ų | 148.2 | 69% | 0.686 | 77% | 0.772 | S | S | * | * | trans | -66.1 | 167.1 | 147.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1506 | Y | 19.8 | Very low | 22.8 | Very low | 195 Ų | 195 | 148.6 Ų | 148.6 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | trans | 65.8 | 102.3 | 177.3 | -72 | -92.4 | 0 | 0 | 0 | 117.9 | ||||
| 1507 | M | 22.8 | Very low | 22.9 | Very low | 176 Ų | 176 | 147.6 Ų | 147.6 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | -172.1 | 138.4 | 94.4 | -99.4 | -64.2 | -172.3 | 0 | 0 | 113.4 | |||||
| 1508 | H | 21.7 | Very low | 23.1 | Very low | 172 Ų | 172 | 148.1 Ų | 148.1 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | trans | -67.9 | 142.3 | 162.1 | -81.5 | -66.9 | 0 | 0 | 0 | 110.8 | ||||
| 1509 | T | 23.3 | Very low | 23.2 | Very low | 124 Ų | 124 | 143.7 Ų | 143.7 | 76% | 0.761 | 75% | 0.751 | S | S | * | * | 173.7 | 157.7 | 101.3 | 35.7 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1510 | R | 25.8 | Very low | 23.4 | Very low | 229 Ų | 229 | 145.9 Ų | 145.9 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | trans | 69.5 | 115.2 | 177.9 | -45.4 | -179.9 | -170.1 | -163.8 | 2.7 | 113.9 | ||||
| 1511 | N | 22.6 | Very low | 23.5 | Very low | 129 Ų | 129 | 146.1 Ų | 146.1 | 69% | 0.69 | 75% | 0.747 | S | S | * | * | cis | 55.7 | 74.2 | 1 | -163.2 | -0.7 | 0 | 0 | 0 | 116 | N1513 | N1511-N1513 PolarHBondContact OD1-ND2 3.37Š| ||
| 1512 | H | 28.1 | Very low | 23.7 | Very low | 174 Ų | 174 | 146.9 Ų | 146.9 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | -147.3 | 108.6 | 129.9 | -111.8 | -90.7 | 0 | 0 | 0 | 107 | |||||
| 1513 | N | 25.3 | Very low | 23.8 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 56% | 0.561 | 74% | 0.741 | S | S | * | * | 65.9 | 111.4 | 75.2 | -85.2 | -51.3 | 0 | 0 | 0 | 114.1 | N1511 | N1511-N1513 PolarHBondContact OD1-ND2 3.37Š| |||
| 1514 | L | 28 | Very low | 24.1 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 64% | 0.644 | 74% | 0.742 | S | S | * | * | 47.1 | 113.9 | 106.7 | -170.1 | 104 | 0 | 0 | 0 | 116.6 | Q1516 | L1514-Q1516 HydrophobicContact CD2-CG 4.41Š| |||
| 1515 | L | 24.3 | Very low | 24 | Very low | 160 Ų | 160 | 146.2 Ų | 146.2 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | trans | -164.8 | 158.3 | 138.8 | -128.5 | 71 | 0 | 0 | 0 | 111.2 | ||||
| 1516 | Q | 23.7 | Very low | 24.5 | Very low | 125 Ų | 125 | 147.5 Ų | 147.5 | 58% | 0.584 | 75% | 0.749 | S | S | * | * | -148.8 | 150.7 | -67.8 | -103.8 | -177.9 | -11.4 | 0 | 0 | 108.5 | L1514 | L1514-Q1516 HydrophobicContact CD2-CG 4.41Š| |||
| 1517 | T | 23.7 | Very low | 24.6 | Very low | 113 Ų | 113 | 144.5 Ų | 144.5 | 69% | 0.693 | 75% | 0.746 | S | S | * | * | 17 | 169.3 | 121.4 | -12.8 | 0 | 0 | 0 | 0 | 122 | |||||
| 1518 | I | 24.8 | Very low | 24.7 | Very low | 130 Ų | 130 | 141.6 Ų | 141.6 | 67% | 0.667 | 74% | 0.738 | S | S | * | * | trans | 82.9 | 136 | 147.2 | -82.1 | 163.8 | 0 | 0 | 0 | 116 | ||||
| 1519 | L | 24.6 | Very low | 24.7 | Very low | 124 Ų | 124 | 138 Ų | 138 | 65% | 0.649 | 73% | 0.733 | S | S | * | * | cis | -155.6 | 152.8 | 0.4 | -100.6 | 165.5 | 0 | 0 | 0 | 112.9 | V1521 | L1519-V1521 HydrophobicContact CD2-CG2 3.53Š| ||
| 1520 | T | 25.5 | Very low | 24.5 | Very low | 139 Ų | 139 | 137 Ų | 137 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | 170.9 | 124.2 | 129.8 | 26.8 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 1521 | V | 23.8 | Very low | 24.4 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 65% | 0.648 | 73% | 0.725 | S | S | * | * | cis | 94.9 | 99.9 | 23.5 | -177.8 | 0 | 0 | 0 | 0 | 115.5 | L1519 | L1519-V1521 HydrophobicContact CD2-CG2 3.53Š| ||
| 1522 | Q | 25.8 | Very low | 24.3 | Very low | 188 Ų | 188 | 130.7 Ų | 130.7 | 88% | 0.879 | 73% | 0.727 | S | S | * | * | trans | -179.8 | 165.2 | 142.8 | -102.6 | 171.8 | 23.1 | 0 | 0 | 110.9 | ||||
| 1523 | S | 21.7 | Very low | 24.2 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | -174.5 | 119.5 | -89.9 | 52.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1524 | V | 28 | Very low | 24.1 | Very low | 149 Ų | 149 | 132.3 Ų | 132.3 | 90% | 0.903 | 73% | 0.733 | S | S | * | * | trans | -145.2 | 153.2 | 169 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1525 | R | 20.5 | Very low | 23.8 | Very low | 228 Ų | 228 | 133.5 Ų | 133.5 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | trans | -132 | 174.5 | -178.6 | -95 | -174.9 | -178.9 | 178.6 | 0.6 | 108.9 | ||||
| 1526 | P | 29.9 | Very low | 23.7 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 72% | 0.721 | 73% | 0.733 | S | S | * | * | cis | -126.5 | -138.1 | 20.8 | 29.8 | -2.5 | 0 | 0 | 0 | 111.5 | ||||
| 1527 | D | 23.3 | Very low | 23.7 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | cis | -156.3 | -132.2 | 8.3 | -155 | -94.6 | 0 | 0 | 0 | 114.5 | ||||
| 1528 | T | 24.9 | Very low | 23.9 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 71% | 0.712 | 74% | 0.742 | S | S | * | * | trans | -144.1 | -177.6 | -160.1 | 68.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1529 | S | 20.4 | Very low | 23.7 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | -166.1 | 159.4 | -51.6 | 65.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1530 | S | 20.6 | Very low | 23.8 | Very low | 102 Ų | 102 | 139.6 Ų | 139.6 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | trans | 78.7 | 141.8 | 153.5 | 78.1 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1531 | T | 22.9 | Very low | 23.8 | Very low | 122 Ų | 122 | 141.7 Ų | 141.7 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | trans | 67.9 | 102.6 | 151.5 | 47.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1532 | S | 20 | Very low | 24 | Very low | 104 Ų | 104 | 144.2 Ų | 144.2 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | 82.7 | 169.2 | 126.9 | 78.2 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 1533 | L | 25.8 | Very low | 24.1 | Very low | 147 Ų | 147 | 144.5 Ų | 144.5 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | trans | 76.8 | 117.8 | -172.5 | -70.3 | 104.2 | 0 | 0 | 0 | 117.9 | ||||
| 1534 | F | 23.4 | Very low | 24.5 | Very low | 166 Ų | 166 | 144.5 Ų | 144.5 | 73% | 0.728 | 72% | 0.724 | S | S | * | * | trans | 54.7 | 125.2 | 132 | -82.4 | -96 | 0 | 0 | 0 | 122.1 | ||||
| 1535 | E | 22.2 | Very low | 24.5 | Very low | 148 Ų | 148 | 145 Ų | 145 | 69% | 0.692 | 72% | 0.718 | S | S | * | * | 41.7 | 116 | 126.9 | -69.2 | 176.8 | -174.3 | 0 | 0 | 119.8 | |||||
| 1536 | E | 21.9 | Very low | 24.8 | Very low | 167 Ų | 167 | 139.7 Ų | 139.7 | 78% | 0.78 | 71% | 0.707 | S | S | * | * | 48.4 | 168.1 | 108.6 | -60.2 | -168.9 | 150.1 | 0 | 0 | 122.2 | |||||
| 1537 | E | 23.2 | Very low | 24.9 | Very low | 110 Ų | 110 | 142.1 Ų | 142.1 | 51% | 0.514 | 71% | 0.712 | S | S | . | * | trans | 53.8 | 95 | 150.4 | -82 | -136.1 | 118.8 | 0 | 0 | 119 | R1539 | E1537-R1539 HydrophobicContact CB-CB 4.01Å; E1537-R1539 HydrophobicContact CB-CG 4.3Å; E1537-R1539 IonicContact OE1-NE 3.27Å; E1537-R1539 WeakPolarHBondContact OE2-CD 3.24Å; E1537-R1539 IonicContact OE2-CZ 3.28Å; E1537-R1539 IonicContact OE2-NE 2.93Å; E1537-R1539 PolarHBondContact OE2-NE 2.78Å; E1537-R1539 IonicContact OE2-NH2 2.71Å; E1537-R1539 PolarHBondContact OE2-NH2 3.42Å | ||
| 1538 | K | 27.9 | Very low | 25.1 | Very low | 220 Ų | 220 | 140.5 Ų | 140.5 | 96% | 0.957 | 71% | 0.711 | S | S | * | * | trans | -128.2 | 65.3 | 142.6 | -69.5 | -172.5 | -179.2 | 161.7 | 0 | 110.9 | ||||
| 1539 | R | 22.2 | Very low | 25.4 | Very low | 164 Ų | 164 | 142 Ų | 142 | 62% | 0.619 | 71% | 0.712 | S | S | * | * | 82.5 | 70.2 | 55.5 | -162.9 | -170.1 | -143.9 | -178.4 | 19.8 | 114.4 | E1537 | E1537-R1539 HydrophobicContact CB-CB 4.01Å; E1537-R1539 HydrophobicContact CB-CG 4.3Å; E1537-R1539 IonicContact OE1-NE 3.27Å; E1537-R1539 WeakPolarHBondContact OE2-CD 3.24Å; E1537-R1539 IonicContact OE2-CZ 3.28Å; E1537-R1539 IonicContact OE2-NE 2.93Å; E1537-R1539 PolarHBondContact OE2-NE 2.78Å; E1537-R1539 IonicContact OE2-NH2 2.71Å; E1537-R1539 PolarHBondContact OE2-NH2 3.42Å | |||
| 1540 | S | 27 | Very low | 25.8 | Very low | 119 Ų | 119 | 145.1 Ų | 145.1 | 83% | 0.832 | 71% | 0.71 | S | S | * | * | trans | -157.9 | 136.8 | 153.6 | 46.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1541 | R | 25.2 | Very low | 26.5 | Very low | 183 Ų | 183 | 145.6 Ų | 145.6 | 69% | 0.691 | 70% | 0.703 | S | S | * | * | cis | -177.3 | 132 | -32.2 | -116 | -154.3 | -85 | -161.3 | -4.3 | 109.6 | ||||
| 1542 | Y | 27.3 | Very low | 26.9 | Very low | 159 Ų | 159 | 144.8 Ų | 144.8 | 62% | 0.624 | 70% | 0.698 | S | S | * | * | trans | 68.4 | 166.5 | 154.2 | -70.4 | -129.4 | 0 | 0 | 0 | 115.4 | I1544 | Y1542-I1544 HydrophobicContact CD1-CD1 4.13Å; Y1542-I1544 HydrophobicContact CD1-CG1 4.45Å; Y1542-I1544 HydrophobicContact CE1-CD1 4.48Å | ||
| 1543 | R | 28.3 | Very low | 27.8 | Very low | 195 Ų | 195 | 144 Ų | 144 | 74% | 0.736 | 69% | 0.693 | S | S | * | * | cis | -140.1 | 132.6 | 15.1 | -125.9 | 118.9 | -149.2 | -70.2 | -6.6 | 109.8 | ||||
| 1544 | I | 29.4 | Very low | 28.4 | Very low | 96 Ų | 96 | 144.2 Ų | 144.2 | 49% | 0.492 | 69% | 0.694 | S | S | . | * | 71.3 | 136.2 | 98.4 | -70.5 | -174.6 | 0 | 0 | 0 | 112.8 | Y1542 | Y1542-I1544 HydrophobicContact CD1-CD1 4.13Å; Y1542-I1544 HydrophobicContact CD1-CG1 4.45Å; Y1542-I1544 HydrophobicContact CE1-CD1 4.48Å | |||
| 1545 | M | 28.4 | Very low | 29 | Very low | 159 Ų | 159 | 141 Ų | 141 | 78% | 0.783 | 68% | 0.684 | S | S | * | * | cis | -132.5 | 132 | 31.9 | -130.4 | 121.4 | -172.1 | 0 | 0 | 110.7 | ||||
| 1546 | D | 25.9 | Very low | 30 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 63% | 0.631 | 68% | 0.677 | S | S | * | * | 61.2 | 139.5 | 87.9 | -54.1 | -38.7 | 0 | 0 | 0 | 113.4 | |||||
| 1547 | I | 32 | Very low | 30.8 | Very low | 161 Ų | 161 | 135.7 Ų | 135.7 | 83% | 0.826 | 67% | 0.671 | S | S | * | * | -149.2 | 152.4 | 52.4 | -76.3 | 171.9 | 0 | 0 | 0 | 113.5 | |||||
| 1548 | S | 27.9 | Very low | 31.6 | Very low | 97 Ų | 97 | 135.2 Ų | 135.2 | 68% | 0.678 | 67% | 0.671 | S | S | * | * | trans | -61.8 | 163.1 | 175.7 | 49.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1549 | M | 31.4 | Very low | 32.2 | Very low | 148 Ų | 148 | 130.2 Ų | 130.2 | 73% | 0.729 | 65% | 0.654 | S | S | * | * | 177.6 | 165.9 | 83.2 | -79.1 | 177.6 | 58.7 | 0 | 0 | 108.4 | |||||
| 1550 | Y | 30.2 | Very low | 33 | Very low | 163 Ų | 163 | 131.5 Ų | 131.5 | 64% | 0.639 | 67% | 0.665 | S | S | * | * | cis | -153.3 | 156.5 | -7.1 | -125.1 | -148.4 | 0 | 0 | 0 | 107.5 | ||||
| 1551 | I | 34.2 | Very low | 33.5 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 57% | 0.569 | 66% | 0.664 | S | S | * | * | 54.1 | 44.7 | 67.2 | -32.1 | -177.9 | 0 | 0 | 0 | 116.6 | L1555 | I1551-L1555 HydrophobicContact CG2-CD1 3.94Š| |||
| 1552 | T | 31.8 | Very low | 34.1 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 64% | 0.644 | 66% | 0.663 | S | S | * | * | trans | -151.1 | 83.7 | 157 | 42.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1553 | S | 38.8 | Very low | 34.4 | Very low | 89 Ų | 89 | 132 Ų | 132 | 62% | 0.622 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -172.5 | -55.2 | 153 | -88.3 | 0 | 0 | 0 | 0 | 112.1 | L1555 I1556 | S1553-L1555 PolarHBondContact O-N 3.34Å; S1553-I1556 PolarHBondContact O-N 2.85Å |
| 1554 | L | 37.3 | Very low | 34.6 | Very low | 151 Ų | 151 | 130.4 Ų | 130.4 | 79% | 0.791 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -60.9 | -18.9 | 178.8 | -125.3 | 77.3 | 0 | 0 | 0 | 113.7 | I1558 | L1554-I1558 WeakPolarHBondContact O-CD1 3.42Å; L1554-I1558 WeakPolarHBondContact O-CG1 3.43Å |
| 1555 | L | 37.2 | Very low | 34.6 | Very low | 98 Ų | 98 | 135.2 Ų | 135.2 | 51% | 0.513 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -93.9 | -3.4 | 176.6 | -108.4 | 157.9 | 0 | 0 | 0 | 114.4 | I1551 S1553 L1559 | I1551-L1555 HydrophobicContact CG2-CD1 3.94Å; S1553-L1555 PolarHBondContact O-N 3.34Å; L1555-L1559 HydrophobicContact CD2-CD1 4.39Å; L1555-L1559 WeakPolarHBondContact O-CD1 3.35Å; L1555-L1559 WeakPolarHBondContact O-CG 3.5Å |
| 1556 | I | 43.5 | Very low | 34.7 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 55% | 0.554 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -95.7 | -43.3 | 177 | -66.3 | 176.7 | 0 | 0 | 0 | 110.3 | S1553 I1558 L1559 F1560 | S1553-I1556 PolarHBondContact O-N 2.85Å; I1556-I1558 VanDerWaalsContact C-N 3.28Å; I1556-I1558 PolarHBondContact O-N 2.78Å; I1556-L1559 PolarHBondContact O-N 3.36Å; I1556-F1560 PolarHBondContact O-N 2.85Å |
| 1557 | C | 36.8 | Very low | 35.2 | Very low | 96 Ų | 96 | 131.4 Ų | 131.4 | 65% | 0.649 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -64.4 | -31.5 | 173.9 | -62.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1558 | I | 41 | Very low | 35.1 | Very low | 99 Ų | 99 | 130.5 Ų | 130.5 | 51% | 0.508 | 69% | 0.692 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.6 | -24.8 | 179.2 | -66.6 | 179.3 | 0 | 0 | 0 | 112.2 | L1554 I1556 I1562 | L1554-I1558 WeakPolarHBondContact O-CD1 3.42Å; L1554-I1558 WeakPolarHBondContact O-CG1 3.43Å; I1556-I1558 VanDerWaalsContact C-N 3.28Å; I1556-I1558 PolarHBondContact O-N 2.78Å; I1558-I1562 HydrophobicContact CG2-CD1 4.44Å |
| 1559 | L | 39.6 | Very low | 35.2 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 61% | 0.607 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -17.5 | 178.6 | -74.3 | 176.7 | 0 | 0 | 0 | 114.3 | L1555 I1556 | L1555-L1559 HydrophobicContact CD2-CD1 4.39Å; L1555-L1559 WeakPolarHBondContact O-CD1 3.35Å; L1555-L1559 WeakPolarHBondContact O-CG 3.5Å; I1556-L1559 PolarHBondContact O-N 3.36Å |
| 1560 | F | 40.1 | Very low | 35 | Very low | 191 Ų | 191 | 133.5 Ų | 133.5 | 84% | 0.838 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -83.8 | -11.3 | 175 | -133.6 | -89.7 | 0 | 0 | 0 | 114.3 | I1556 | I1556-F1560 PolarHBondContact O-N 2.85Š|
| 1561 | L | 36.6 | Very low | 35.1 | Very low | 155 Ų | 155 | 130.7 Ų | 130.7 | 81% | 0.812 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -102 | 0.4 | -178.7 | -73.7 | 172.2 | 0 | 0 | 0 | 114.8 | ||
| 1562 | I | 39 | Very low | 34.7 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 67% | 0.672 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -112.3 | -8.1 | -177.3 | -64.8 | 178.8 | 0 | 0 | 0 | 112.4 | I1558 | I1558-I1562 HydrophobicContact CG2-CD1 4.44Š|
| 1563 | F | 33.8 | Very low | 34.4 | Very low | 184 Ų | 184 | 136.4 Ų | 136.4 | 81% | 0.807 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -108 | 42.5 | -172.8 | -135.5 | -78.3 | 0 | 0 | 0 | 115.8 | ||
| 1564 | L | 32.6 | Very low | 33.8 | Very low | 162 Ų | 162 | 141.6 Ų | 141.6 | 85% | 0.848 | 73% | 0.733 | S | S | * | * | trans | 178.9 | 97.4 | 135.5 | -98.4 | 161.4 | 0 | 0 | 0 | 113.2 | ||||
| 1565 | F | 29 | Very low | 33.3 | Very low | 198 Ų | 198 | 141.8 Ų | 141.8 | 87% | 0.868 | 73% | 0.73 | S | S | * | * | trans | -97 | 133.7 | 156.4 | -124.1 | -96.7 | 0 | 0 | 0 | 107.9 | ||||
| 1566 | G | 30.8 | Very low | 32.8 | Very low | 61 Ų | 61 | 146.6 Ų | 146.6 | 63% | 0.629 | 74% | 0.741 | S | S | * | * | trans | 137.2 | 137.4 | 158.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1567 | V | 35.9 | Very low | 31.9 | Very low | 135 Ų | 135 | 149.9 Ų | 149.9 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | 62.4 | 89.9 | 163.5 | -165.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1568 | L | 29.5 | Very low | 31.3 | Very low | 142 Ų | 142 | 156.6 Ų | 156.6 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | 96.3 | 132.8 | 60.4 | -82.7 | 168.6 | 0 | 0 | 0 | 114.5 | |||||
| 1569 | F | 29.8 | Very low | 30.5 | Very low | 188 Ų | 188 | 156 Ų | 156 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | 55.6 | 110.8 | 170.5 | -74.6 | -82.1 | 0 | 0 | 0 | 116.2 | ||||
| 1570 | T | 27.8 | Very low | 29.9 | Very low | 120 Ų | 120 | 157 Ų | 157 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | cis | -165.9 | 168 | 45.2 | 43.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1571 | V | 32.1 | Very low | 29.1 | Very low | 105 Ų | 105 | 156.3 Ų | 156.3 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | trans | 76 | 87.5 | 169.3 | -166.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1572 | N | 25.7 | Very low | 28.6 | Very low | 151 Ų | 151 | 156.3 Ų | 156.3 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 34.3 | 137.4 | 141 | -54.4 | -0.6 | 0 | 0 | 0 | 120.8 | ||
| 1573 | H | 25 | Very low | 28.1 | Very low | 185 Ų | 185 | 157.2 Ų | 157.2 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | cis | -133.5 | 138.5 | 11.5 | -152.6 | -89.5 | 0 | 0 | 0 | 110.5 | ||||
| 1574 | F | 27.5 | Very low | 27.7 | Very low | 198 Ų | 198 | 159.8 Ų | 159.8 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | trans | -109.3 | 160.2 | -160.2 | -142.1 | -100 | 0 | 0 | 0 | 114.5 | ||||
| 1575 | Q | 26 | Very low | 27.4 | Very low | 155 Ų | 155 | 156.2 Ų | 156.2 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | trans | -91.5 | 175.5 | -178.6 | -64.2 | -170.9 | -11.4 | 0 | 0 | 114.5 | ||||
| 1576 | R | 27.6 | Very low | 27.4 | Very low | 199 Ų | 199 | 152.9 Ų | 152.9 | 75% | 0.751 | 76% | 0.764 | S | S | * | * | trans | 100.2 | 105.9 | 145.5 | -72.6 | -178 | 175.8 | -172.6 | -4.7 | 119.6 | ||||
| 1577 | Q | 24.7 | Very low | 27.3 | Very low | 177 Ų | 177 | 153.1 Ų | 153.1 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | 49.3 | 140.4 | 127.6 | -65.6 | -166.1 | -1.3 | 0 | 0 | 122.2 | |||||
| 1578 | R | 24.3 | Very low | 27.1 | Very low | 237 Ų | 237 | 150 Ų | 150 | 89% | 0.894 | 75% | 0.75 | S | S | * | * | trans | 73.4 | 98 | 166 | -76.1 | -173.5 | 169.4 | 170.7 | -1.4 | 118.1 | ||||
| 1579 | A | 24.2 | Very low | 27.1 | Very low | 85 Ų | 85 | 147.7 Ų | 147.7 | 70% | 0.702 | 74% | 0.735 | S | S | * | * | trans | 79.4 | 133.7 | 137.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1580 | N | 25.1 | Very low | 27 | Very low | 138 Ų | 138 | 146.8 Ų | 146.8 | 74% | 0.738 | 73% | 0.733 | S | S | * | * | trans | 69 | 103.3 | 147.7 | -63.3 | -4.7 | 0 | 0 | 0 | 120.5 | ||||
| 1581 | Y | 23.5 | Very low | 27.1 | Very low | 177 Ų | 177 | 144.6 Ų | 144.6 | 69% | 0.694 | 73% | 0.727 | S | S | * | * | trans | 72.7 | 134.4 | 130.7 | -81.2 | -71.9 | 0 | 0 | 0 | 121.8 | ||||
| 1582 | H | 25.9 | Very low | 26.9 | Very low | 155 Ų | 155 | 145.1 Ų | 145.1 | 72% | 0.718 | 74% | 0.735 | S | S | * | * | trans | 56.2 | 119.4 | 145.1 | -69.1 | -39.7 | 0 | 0 | 0 | 118 | ||||
| 1583 | L | 29.2 | Very low | 27 | Very low | 150 Ų | 150 | 141.5 Ų | 141.5 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | -176.8 | 122.6 | 52.2 | -113.8 | 149.5 | 0 | 0 | 0 | 112 | |||||
| 1584 | R | 25.4 | Very low | 27.2 | Very low | 238 Ų | 238 | 144 Ų | 144 | 90% | 0.898 | 74% | 0.735 | S | S | * | * | trans | 171 | 132.6 | 151.7 | -97.9 | -178.4 | -174.9 | -154.9 | -0.3 | 106.8 | ||||
| 1585 | S | 26.6 | Very low | 27.3 | Very low | 87 Ų | 87 | 142.6 Ų | 142.6 | 61% | 0.608 | 74% | 0.736 | S | S | * | * | cis | 68.5 | 115.4 | 12.1 | 95.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1586 | T | 29 | Very low | 27.6 | Very low | 128 Ų | 128 | 138.9 Ų | 138.9 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | cis | -153.1 | 123.3 | 13 | 45.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1587 | G | 29.2 | Very low | 27.4 | Very low | 65 Ų | 65 | 137.7 Ų | 137.7 | 67% | 0.67 | 74% | 0.742 | S | S | * | * | trans | 67.3 | 156.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1588 | S | 31.1 | Very low | 27.5 | Very low | 69 Ų | 69 | 134 Ų | 134 | 48% | 0.483 | 72% | 0.724 | S | S | . | * | cis | -168.8 | 147.9 | -14.4 | -87.4 | 0 | 0 | 0 | 0 | 105.1 | R902 | R902-S1588 PolarHBondContact NE-OG 2.84Å; R902-S1588 VanDerWaalsContact NE-OG 3.1Å | ||
| 1589 | F | 28.8 | Very low | 27.6 | Very low | 95 Ų | 95 | 127.9 Ų | 127.9 | 42% | 0.417 | 71% | 0.706 | S | S | . | * | cis | -151.1 | -164.8 | 5.3 | -139 | -145.5 | 0 | 0 | 0 | 106.5 | Y903 | Y903-F1589 HydrophobicContact CD1-CZ 4.01Å; Y903-F1589 HydrophobicContact CD2-CZ 4.26Å; Y903-F1589 HydrophobicContact CE1-CE2 4.4Å; Y903-F1589 AromaticContact CE1-CZ 3.91Å; Y903-F1589 HydrophobicContact CE1-CZ 3.91Å; Y903-F1589 HydrophobicContact CE2-CE2 4.17Å; Y903-F1589 HydrophobicContact CE2-CZ 4.14Å; Y903-F1589 HydrophobicContact CG-CZ 4.16Å; Y903-F1589 AromaticContact CZ-CZ 3.96Å | ||
| 1590 | H | 28.5 | Very low | 27.7 | Very low | 169 Ų | 169 | 130.9 Ų | 130.9 | 78% | 0.782 | 71% | 0.709 | S | S | * | * | cis | -139.8 | -105.1 | -0.2 | -167.3 | -28.1 | 0 | 0 | 0 | 110.5 | ||||
| 1591 | A | 29.2 | Very low | 27.7 | Very low | 74 Ų | 74 | 131.4 Ų | 131.4 | 61% | 0.612 | 71% | 0.705 | S | S | * | * | trans | -159.7 | -172.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1592 | S | 27.6 | Very low | 27.8 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 81% | 0.811 | 71% | 0.708 | S | S | * | * | cis | -155.9 | 177.1 | 16.6 | -68 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1593 | G | 29.2 | Very low | 27.9 | Very low | 75 Ų | 75 | 130.1 Ų | 130.1 | 77% | 0.773 | 71% | 0.711 | S | S | * | * | trans | 90.6 | 93.9 | 149.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1594 | R | 28.2 | Very low | 27.7 | Very low | 236 Ų | 236 | 129.7 Ų | 129.7 | 89% | 0.891 | 71% | 0.709 | S | S | * | * | trans | -168.4 | 138.9 | 166.3 | -124.5 | -176 | 179 | -164.7 | -0.6 | 116.8 | ||||
| 1595 | L | 30.2 | Very low | 27.6 | Very low | 169 Ų | 169 | 126 Ų | 126 | 89% | 0.885 | 70% | 0.699 | S | S | * | * | trans | 27.1 | 150.1 | 143.9 | -94.9 | 72.6 | 0 | 0 | 0 | 124.6 | ||||
| 1596 | G | 31.8 | Very low | 27.7 | Very low | 78 Ų | 78 | 124.2 Ų | 124.2 | 80% | 0.804 | 69% | 0.69 | S | S | * | * | trans | 153.7 | 133.1 | 135.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1597 | Q | 24.7 | Very low | 27.6 | Very low | 173 Ų | 173 | 122.9 Ų | 122.9 | 81% | 0.808 | 67% | 0.673 | S | S | * | * | trans | -110.2 | 179.2 | 168.8 | -76.1 | -164 | 5.5 | 0 | 0 | 113.4 | ||||
| 1598 | K | 26.7 | Very low | 27.7 | Very low | 101 Ų | 101 | 126.4 Ų | 126.4 | 44% | 0.439 | 68% | 0.675 | S | S | . | * | trans | -24.7 | 153.8 | 179.9 | -61.6 | 161.4 | -176.3 | 173.6 | 0 | 117.5 | D2296 | K1598-D2296 HydrophobicContact CD-CB 3.87Å; K1598-D2296 WeakPolarHBondContact CD-OD2 3.39Å; K1598-D2296 WeakPolarHBondContact CE-OD2 3.42Å; K1598-D2296 IonicContact NZ-OD1 3.75Å; K1598-D2296 PolarHBondContact NZ-OD1 2.02Å; K1598-D2296 IonicContact NZ-OD2 2.91Å; K1598-D2296 PolarHBondContact NZ-OD2 3Å | ||
| 1599 | M | 24.7 | Very low | 27.4 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 53% | 0.532 | 69% | 0.687 | S | S | . | * | -169.5 | 162 | 59.2 | -137.2 | -163.1 | -76 | 0 | 0 | 115.3 | Y2295 D2296 | M1599-Y2295 VanDerWaalsContact SD-O 3.33Å; M1599-D2296 HydrophobicContact CE-CB 3.85Å; M1599-D2296 VanDerWaalsContact CE-O 3.24Å; M1599-D2296 WeakPolarHBondContact CE-O 3.36Å; M1599-D2296 HydrophobicContact CG-CB 4.32Å; M1599-D2296 HydrophobicContact SD-CB 4.38Å; M1599-D2296 PolarHBondContact SD-N 3.14Å | |||
| 1600 | I | 28 | Very low | 27.3 | Very low | 147 Ų | 147 | 135 Ų | 135 | 75% | 0.754 | 70% | 0.695 | S | S | * | * | trans | 70.3 | 156.1 | 159.7 | -65.3 | 172.6 | 0 | 0 | 0 | 119.9 | ||||
| 1601 | K | 23.7 | Very low | 27.2 | Very low | 150 Ų | 150 | 130 Ų | 130 | 65% | 0.652 | 68% | 0.678 | S | S | * | * | trans | -104.2 | 174.2 | -165.2 | -59.3 | -170 | 171.4 | -166.1 | 0 | 113.5 | ||||
| 1602 | K | 26.5 | Very low | 26.9 | Very low | 177 Ų | 177 | 131.8 Ų | 131.8 | 77% | 0.77 | 69% | 0.686 | S | S | * | * | cis | -167.6 | 133.9 | 26.2 | -151.5 | 172.4 | -179.4 | 179.8 | 0 | 112.6 | ||||
| 1603 | V | 26.9 | Very low | 27.1 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 77% | 0.77 | 69% | 0.689 | S | S | * | * | trans | 65.9 | 136.9 | 141.5 | 149.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1604 | L | 25.4 | Very low | 27.1 | Very low | 141 Ų | 141 | 132.5 Ų | 132.5 | 74% | 0.738 | 69% | 0.687 | S | S | * | * | cis | -153.3 | 177.9 | 0.5 | -103.8 | 169.3 | 0 | 0 | 0 | 108.3 | ||||
| 1605 | K | 24.6 | Very low | 27 | Very low | 161 Ų | 161 | 128.7 Ų | 128.7 | 70% | 0.7 | 68% | 0.683 | S | S | * | * | cis | -159.7 | 129.5 | 29.8 | -156.2 | 164.2 | -174.4 | 171.8 | 0 | 116.5 | P1632 | K1605-P1632 VanDerWaalsContact C-CB 3.41Å; K1605-P1632 WeakPolarHBondContact O-CB 3.28Å | ||
| 1606 | A | 27.8 | Very low | 26.7 | Very low | 49 Ų | 49 | 125.1 Ų | 125.1 | 41% | 0.405 | 67% | 0.668 | S | S | . | * | trans | 63.8 | 123.5 | 148.9 | 0 | 0 | 0 | 0 | 0 | 125 | K1631 P1632 S1633 | A1606-K1631 CarbonylContact C-O 3.55Å; A1606-P1632 CarbonylContact O-C 3.51Å; A1606-S1633 CarbonylContact O-C 3.41Å; A1606-S1633 WeakPolarHBondContact O-CA 3.38Å; A1606-S1633 PolarHBondContact O-N 3.26Å | ||
| 1607 | K | 26.3 | Very low | 26.3 | Very low | 101 Ų | 101 | 130.4 Ų | 130.4 | 44% | 0.439 | 66% | 0.664 | S | S | . | * | trans | 87.9 | 139.7 | 176.6 | -47 | -165.3 | -173.1 | -179.7 | 0 | 116.1 | K1631 P1632 S1633 | K1607-K1631 CarbonylContact C-O 3.32Å; K1607-K1631 VanDerWaalsContact C-O 3.23Å; K1607-K1631 PolarHBondContact N-O 3.42Å; K1607-K1631 CarbonylContact O-C 3.52Å; K1607-P1632 CarbonylContact O-C 3.47Å; K1607-P1632 WeakPolarHBondContact O-CA 3.33Å; K1607-S1633 WeakPolarHBondContact CB-O 3.36Å; K1607-S1633 VanDerWaalsContact CD-O 3.28Å; K1607-S1633 WeakPolarHBondContact CD-O 3.35Å; K1607-S1633 WeakPolarHBondContact CG-O 3.46Å; K1607-S1633 PolarHBondContact O-N 3.49Å | ||
| 1608 | I | 31.6 | Very low | 26.3 | Very low | 138 Ų | 138 | 127.7 Ų | 127.7 | 71% | 0.708 | 66% | 0.655 | S | S | * | * | S | Bend | cis | -103.1 | 171.9 | 0.1 | -69.7 | 178.7 | 0 | 0 | 0 | 111.2 | ||
| 1609 | W | 24.8 | Very low | 26.3 | Very low | 193 Ų | 193 | 127.5 Ų | 127.5 | 73% | 0.731 | 67% | 0.667 | S | S | * | * | trans | -51.3 | 157.7 | -172.7 | -73.5 | 31.8 | 0 | 0 | 0 | 117 | ||||
| 1610 | Y | 26.9 | Very low | 26.5 | Very low | 152 Ų | 152 | 133 Ų | 133 | 60% | 0.596 | 68% | 0.681 | S | S | * | * | cis | -148.9 | 168.9 | -11.1 | -135.3 | -120.6 | 0 | 0 | 0 | 110.9 | ||||
| 1611 | P | 25.7 | Very low | 26.5 | Very low | 64 Ų | 64 | 133.3 Ų | 133.3 | 42% | 0.416 | 68% | 0.683 | S | S | . | * | trans | -133.4 | 173.1 | -173.5 | 41 | -25.2 | 0 | 0 | 0 | 118.4 | ||||
| 1612 | S | 23.9 | Very low | 26.7 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 78% | 0.783 | 69% | 0.689 | S | S | * | * | trans | 78.3 | 144.6 | 151.8 | -57.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1613 | P | 31.4 | Very low | 26.8 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 88% | 0.877 | 69% | 0.689 | S | S | * | * | trans | -89.2 | 156.8 | 164.6 | 36.5 | -33.6 | 0 | 0 | 0 | 112.3 | ||||
| 1614 | G | 29.5 | Very low | 26.7 | Very low | 70 Ų | 70 | 132.3 Ų | 132.3 | 72% | 0.722 | 69% | 0.687 | S | S | * | * | trans | 124.1 | 138.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1615 | L | 25.4 | Very low | 26.8 | Very low | 156 Ų | 156 | 131 Ų | 131 | 82% | 0.817 | 69% | 0.69 | S | S | * | * | trans | 77.2 | 119.5 | 164.8 | -63.9 | 164.6 | 0 | 0 | 0 | 120.4 | ||||
| 1616 | V | 25.2 | Very low | 27 | Very low | 95 Ų | 95 | 129.2 Ų | 129.2 | 58% | 0.576 | 70% | 0.695 | S | S | * | * | trans | 71.9 | 99 | 135 | -175.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1617 | R | 23.8 | Very low | 26.9 | Very low | 189 Ų | 189 | 135.2 Ų | 135.2 | 71% | 0.713 | 72% | 0.721 | S | S | * | * | trans | 74.6 | 140.2 | 138.5 | -77.2 | -173.7 | 172.1 | -172 | -4.2 | 122.9 | L1647 P1648 | R1617-L1647 WeakPolarHBondContact O-CD2 3.32Å; R1617-P1648 WeakPolarHBondContact O-CD 3.34Å | ||
| 1618 | N | 24.4 | Very low | 27.1 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 62% | 0.615 | 73% | 0.731 | S | S | * | * | trans | 60 | 178.6 | 161.5 | -61.7 | 18.2 | 0 | 0 | 0 | 117.2 | P1648 | N1618-P1648 HydrophobicContact CB-CG 3.69Å; N1618-P1648 WeakPolarHBondContact O-CD 3.44Å | ||
| 1619 | S | 26.5 | Very low | 26.8 | Very low | 98 Ų | 98 | 138.1 Ų | 138.1 | 69% | 0.685 | 73% | 0.73 | S | S | * | * | trans | -146.3 | 139 | -138.2 | 44.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1620 | R | 28.7 | Very low | 27 | Very low | 223 Ų | 223 | 135.1 Ų | 135.1 | 84% | 0.842 | 73% | 0.729 | S | S | * | * | trans | -174.9 | 116.4 | 131.1 | -102.1 | 174.7 | -171.9 | -157.3 | 0.4 | 111.9 | ||||
| 1621 | I | 27.9 | Very low | 26.9 | Very low | 154 Ų | 154 | 131 Ų | 131 | 79% | 0.79 | 71% | 0.714 | S | S | * | * | trans | 25.3 | 111.4 | 141.6 | -45.7 | 175 | 0 | 0 | 0 | 118.6 | ||||
| 1622 | V | 28.1 | Very low | 27.7 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 79% | 0.788 | 72% | 0.719 | S | S | * | * | -177.5 | 159.9 | 123.1 | 152.2 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 1623 | H | 27.5 | Very low | 27.8 | Very low | 163 Ų | 163 | 130.1 Ų | 130.1 | 76% | 0.755 | 71% | 0.707 | S | S | * | * | trans | -87.1 | 168.5 | -150.7 | -87.8 | -116.5 | 0 | 0 | 0 | 119.6 | ||||
| 1624 | N | 26.1 | Very low | 27.5 | Very low | 139 Ų | 139 | 131 Ų | 131 | 74% | 0.743 | 70% | 0.697 | S | S | * | * | trans | 82.4 | 114.3 | 157.1 | -65.8 | 1.2 | 0 | 0 | 0 | 122.9 | ||||
| 1625 | S | 25.7 | Very low | 27.3 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 80% | 0.797 | 70% | 0.696 | S | S | * | * | trans | 49.6 | 131.9 | 137.2 | -50.7 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1626 | P | 29.7 | Very low | 27.2 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 81% | 0.805 | 68% | 0.684 | S | S | * | * | trans | -133.5 | 139.5 | 171.4 | 39.2 | -23.8 | 0 | 0 | 0 | 117.6 | ||||
| 1627 | N | 26.2 | Very low | 27.2 | Very low | 175 Ų | 175 | 135.3 Ų | 135.3 | 94% | 0.936 | 70% | 0.698 | S | S | * | * | trans | -161.4 | 140.7 | 144.7 | -116.1 | -32.3 | 0 | 0 | 0 | 109.3 | ||||
| 1628 | N | 29.7 | Very low | 27.3 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 66% | 0.663 | 70% | 0.703 | S | S | * | * | trans | -158.3 | 151.6 | -165.4 | -153.3 | -12.7 | 0 | 0 | 0 | 118.4 | ||||
| 1629 | Y | 26.5 | Very low | 27.6 | Very low | 175 Ų | 175 | 132.5 Ų | 132.5 | 69% | 0.686 | 70% | 0.702 | S | S | * | * | trans | -106.9 | -127 | 174 | -82 | -97.7 | 0 | 0 | 0 | 113.2 | K1631 | Y1629-K1631 PolarHBondContact O-NZ 2.98Š| ||
| 1630 | N | 27.9 | Very low | 27.8 | Very low | 130 Ų | 130 | 133 Ų | 133 | 70% | 0.695 | 70% | 0.701 | S | S | * | * | trans | -160.7 | 159.1 | -152.6 | -70.4 | -66.3 | 0 | 0 | 0 | 116.8 | ||||
| 1631 | K | 25.8 | Very low | 27.9 | Very low | 65 Ų | 65 | 131.1 Ų | 131.1 | 28% | 0.283 | 70% | 0.699 | S | S | . | * | cis | 179.2 | 2.3 | -29 | -114 | 178.2 | -149.4 | 74.2 | 0 | 123.2 | A1606 K1607 Y1629 | A1606-K1631 CarbonylContact C-O 3.55Å; K1607-K1631 CarbonylContact C-O 3.32Å; K1607-K1631 VanDerWaalsContact C-O 3.23Å; K1607-K1631 PolarHBondContact N-O 3.42Å; K1607-K1631 CarbonylContact O-C 3.52Å; Y1629-K1631 PolarHBondContact O-NZ 2.98Å | ||
| 1632 | P | 41.3 | Very low | 28 | Very low | 83 Ų | 83 | 132.7 Ų | 132.7 | 54% | 0.539 | 70% | 0.696 | S | S | . | * | trans | -131 | 122 | -163.9 | 39.6 | -22.2 | 0 | 0 | 0 | 122.3 | K1605 A1606 K1607 | K1605-P1632 VanDerWaalsContact C-CB 3.41Å; K1605-P1632 WeakPolarHBondContact O-CB 3.28Å; A1606-P1632 CarbonylContact O-C 3.51Å; K1607-P1632 CarbonylContact O-C 3.47Å; K1607-P1632 WeakPolarHBondContact O-CA 3.33Å | ||
| 1633 | S | 25.9 | Very low | 28 | Very low | 75 Ų | 75 | 132.2 Ų | 132.2 | 52% | 0.524 | 69% | 0.689 | S | S | . | * | trans | -174.1 | 132.9 | 139.6 | 48.8 | 0 | 0 | 0 | 0 | 116.5 | A1606 K1607 | A1606-S1633 CarbonylContact O-C 3.41Å; A1606-S1633 WeakPolarHBondContact O-CA 3.38Å; A1606-S1633 PolarHBondContact O-N 3.26Å; K1607-S1633 WeakPolarHBondContact CB-O 3.36Å; K1607-S1633 VanDerWaalsContact CD-O 3.28Å; K1607-S1633 WeakPolarHBondContact CD-O 3.35Å; K1607-S1633 WeakPolarHBondContact CG-O 3.46Å; K1607-S1633 PolarHBondContact O-N 3.49Å | ||
| 1634 | K | 25.9 | Very low | 27.8 | Very low | 155 Ų | 155 | 129.4 Ų | 129.4 | 67% | 0.674 | 69% | 0.687 | S | S | * | * | trans | -69.2 | 135.6 | 164.4 | -76 | -172.8 | 173.9 | -172.4 | 0 | 109.8 | ||||
| 1635 | F | 24.9 | Very low | 27.7 | Very low | 156 Ų | 156 | 129.7 Ų | 129.7 | 68% | 0.684 | 69% | 0.688 | S | S | * | * | 169.6 | 126.8 | 87.7 | -116.3 | -87.7 | 0 | 0 | 0 | 105.6 | |||||
| 1636 | T | 22.6 | Very low | 27.7 | Very low | 93 Ų | 93 | 132.4 Ų | 132.4 | 57% | 0.571 | 69% | 0.686 | S | S | * | * | 79.3 | 148.6 | 123 | 48.4 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 1637 | D | 26.8 | Very low | 27.4 | Very low | 161 Ų | 161 | 131.6 Ų | 131.6 | 86% | 0.861 | 67% | 0.674 | S | S | * | * | trans | 77.6 | 158.7 | 170.1 | -48.6 | -20.5 | 0 | 0 | 0 | 119.4 | ||||
| 1638 | D | 24.6 | Very low | 27.6 | Very low | 154 Ų | 154 | 126.1 Ų | 126.1 | 82% | 0.824 | 65% | 0.648 | S | S | * | * | trans | -99.1 | -177.5 | -151.7 | -108.7 | -46.2 | 0 | 0 | 0 | 114.4 | ||||
| 1639 | P | 32.1 | Very low | 27.4 | Very low | 92 Ų | 92 | 125.2 Ų | 125.2 | 60% | 0.597 | 65% | 0.647 | S | S | * | * | cis | -139.7 | 160.6 | -17.4 | 33.4 | -13.9 | 0 | 0 | 0 | 116.7 | ||||
| 1640 | T | 29.2 | Very low | 27.4 | Very low | 109 Ų | 109 | 123.9 Ų | 123.9 | 67% | 0.669 | 65% | 0.651 | S | S | * | * | trans | 58.1 | 156.6 | 147.4 | 58 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1641 | K | 32.3 | Very low | 27.2 | Very low | 182 Ų | 182 | 125.6 Ų | 125.6 | 79% | 0.791 | 66% | 0.655 | S | S | * | * | cis | -158.8 | 147.2 | -14.6 | -108.1 | 166.2 | 177.7 | -175.9 | 0 | 110.4 | ||||
| 1642 | Y | 30.1 | Very low | 27.2 | Very low | 187 Ų | 187 | 130.9 Ų | 130.9 | 73% | 0.733 | 68% | 0.681 | S | S | * | * | cis | -163.6 | 151.5 | -22.2 | -134.2 | -109.8 | 0 | 0 | 0 | 109.5 | ||||
| 1643 | L | 26.9 | Very low | 26.4 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 63% | 0.628 | 70% | 0.695 | S | S | * | * | trans | -2 | 146.6 | 169.5 | -77.3 | 51.7 | 0 | 0 | 0 | 121.5 | ||||
| 1644 | S | 23.4 | Very low | 26.4 | Very low | 104 Ų | 104 | 137.3 Ų | 137.3 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | cis | 91.9 | 121.7 | 15.9 | -48.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1645 | L | 24.7 | Very low | 26.4 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 76% | 0.764 | 71% | 0.711 | S | S | * | * | trans | 54.6 | 124.9 | 142.5 | -83.7 | 161.7 | 0 | 0 | 0 | 124 | ||||
| 1646 | K | 25.2 | Very low | 26.4 | Very low | 171 Ų | 171 | 134.5 Ų | 134.5 | 74% | 0.743 | 71% | 0.709 | S | S | * | * | trans | 28.7 | 149.4 | 137.9 | -82.6 | -174.8 | 176.5 | 178.6 | 0 | 123.3 | ||||
| 1647 | L | 24.5 | Very low | 26.5 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 56% | 0.56 | 71% | 0.714 | S | S | * | * | trans | 74.6 | 108.8 | 159.5 | -70.4 | 158 | 0 | 0 | 0 | 118.3 | R1617 | R1617-L1647 WeakPolarHBondContact O-CD2 3.32Š| ||
| 1648 | P | 29.3 | Very low | 26.4 | Very low | 60 Ų | 60 | 132.8 Ų | 132.8 | 39% | 0.39 | 71% | 0.705 | S | S | . | * | trans | -105.1 | 134.6 | 167.9 | 36 | -30.1 | 0 | 0 | 0 | 114.6 | R1617 N1618 | R1617-P1648 WeakPolarHBondContact O-CD 3.34Å; N1618-P1648 HydrophobicContact CB-CG 3.69Å; N1618-P1648 WeakPolarHBondContact O-CD 3.44Å | ||
| 1649 | T | 26.6 | Very low | 26.5 | Very low | 104 Ų | 104 | 130.3 Ų | 130.3 | 64% | 0.638 | 70% | 0.695 | S | S | * | * | -155.5 | 99.9 | 127.5 | -2.7 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1650 | L | 25 | Very low | 26.1 | Very low | 148 Ų | 148 | 131.9 Ų | 131.9 | 78% | 0.775 | 70% | 0.703 | S | S | * | * | trans | 48.8 | 151 | 143.7 | -81.2 | 159.2 | 0 | 0 | 0 | 123.5 | ||||
| 1651 | E | 25.1 | Very low | 25.9 | Very low | 165 Ų | 165 | 132.5 Ų | 132.5 | 77% | 0.771 | 71% | 0.707 | S | S | * | * | trans | 63.1 | 96.8 | 166.5 | -67.5 | 170.1 | -156.3 | 0 | 0 | 116.3 | ||||
| 1652 | Q | 24.3 | Very low | 25.6 | Very low | 177 Ų | 177 | 128.4 Ų | 128.4 | 83% | 0.827 | 70% | 0.697 | S | S | * | * | 64.2 | 127.4 | 53.8 | -55.8 | -171 | -8.5 | 0 | 0 | 115.7 | |||||
| 1653 | Q | 24.5 | Very low | 25.2 | Very low | 182 Ų | 182 | 122.4 Ų | 122.4 | 85% | 0.85 | 68% | 0.683 | S | S | * | * | -179.7 | 169.4 | 121.4 | -101.4 | -178.3 | 27.6 | 0 | 0 | 113.9 | |||||
| 1654 | S | 26.3 | Very low | 25 | Very low | 110 Ų | 110 | 121.5 Ų | 121.5 | 77% | 0.769 | 69% | 0.686 | S | S | * | * | trans | 81 | 134.4 | 169.3 | 77 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1655 | I | 25.3 | Very low | 24.9 | Very low | 146 Ų | 146 | 123.4 Ų | 123.4 | 75% | 0.749 | 69% | 0.687 | S | S | * | * | cis | -161 | 148.2 | -30.9 | -122.8 | 154 | 0 | 0 | 0 | 109.8 | ||||
| 1656 | T | 25.3 | Very low | 24.7 | Very low | 107 Ų | 107 | 123.7 Ų | 123.7 | 66% | 0.656 | 69% | 0.685 | S | S | * | * | trans | 57.7 | 117.6 | -177 | 47.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1657 | T | 25.8 | Very low | 24.6 | Very low | 110 Ų | 110 | 122.6 Ų | 122.6 | 68% | 0.675 | 68% | 0.682 | S | S | * | * | cis | 84.7 | 38.3 | 10.9 | 90.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1658 | T | 24.7 | Very low | 24.4 | Very low | 108 Ų | 108 | 124 Ų | 124 | 66% | 0.663 | 69% | 0.689 | S | S | * | * | trans | -143.8 | 144.1 | 170 | 50.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1659 | T | 25.5 | Very low | 24.1 | Very low | 102 Ų | 102 | 127.3 Ų | 127.3 | 63% | 0.626 | 70% | 0.704 | S | S | * | * | S | Bend | cis | -168.9 | 160.6 | -2.7 | 18.4 | 0 | 0 | 0 | 0 | 106.2 | T1662 | T1659-T1662 HydrophobicContact CG2-CG2 4.11Š|
| 1660 | T | 24.2 | Very low | 23.8 | Very low | 125 Ų | 125 | 128.5 Ų | 128.5 | 77% | 0.767 | 71% | 0.706 | S | S | * | * | S | Bend | cis | -129 | 152.9 | 7.4 | 43.8 | 0 | 0 | 0 | 0 | 110.3 | ||
| 1661 | T | 25.3 | Very low | 23.7 | Very low | 122 Ų | 122 | 127 Ų | 127 | 75% | 0.748 | 70% | 0.703 | S | S | * | * | S | Bend | cis | -114 | 103.8 | 3.1 | 44.6 | 0 | 0 | 0 | 0 | 109.9 | ||
| 1662 | T | 26.3 | Very low | 23.6 | Very low | 95 Ų | 95 | 126 Ų | 126 | 58% | 0.583 | 70% | 0.702 | S | S | * | * | 66.6 | 104.6 | 110.3 | 57.1 | 0 | 0 | 0 | 0 | 114.5 | T1659 | T1659-T1662 HydrophobicContact CG2-CG2 4.11Š| |||
| 1663 | S | 21.5 | Very low | 23.6 | Very low | 61 Ų | 61 | 123.4 Ų | 123.4 | 43% | 0.427 | 69% | 0.693 | S | S | . | * | cis | 77.9 | 134.2 | 42.3 | 85.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1664 | C | 21.4 | Very low | 23.8 | Very low | 102 Ų | 102 | 122.5 Ų | 122.5 | 69% | 0.689 | 69% | 0.686 | S | S | * | * | trans | 71.5 | 139.3 | 172.3 | -55.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 1665 | D | 21.2 | Very low | 23.9 | Very low | 143 Ų | 143 | 124.1 Ų | 124.1 | 77% | 0.765 | 69% | 0.687 | S | S | * | * | cis | -155.9 | 172.9 | 2 | -106.6 | -25.9 | 0 | 0 | 0 | 111.6 | ||||
| 1666 | E | 22.4 | Very low | 23.9 | Very low | 153 Ų | 153 | 127.1 Ų | 127.1 | 72% | 0.715 | 69% | 0.694 | S | S | * | * | trans | 57 | 121.6 | 156.5 | -71.9 | -162.1 | 127.5 | 0 | 0 | 123.3 | ||||
| 1667 | Q | 21.1 | Very low | 24.2 | Very low | 147 Ų | 147 | 127.1 Ų | 127.1 | 69% | 0.687 | 70% | 0.699 | S | S | * | * | trans | 63.8 | 166.8 | 135.1 | -55.3 | -173.2 | 34.4 | 0 | 0 | 121.7 | ||||
| 1668 | I | 22.3 | Very low | 24.1 | Very low | 138 Ų | 138 | 128.3 Ų | 128.3 | 71% | 0.708 | 71% | 0.706 | S | S | * | * | trans | 73.1 | 105.7 | 156.1 | -67.1 | 151 | 0 | 0 | 0 | 118.9 | ||||
| 1669 | N | 21 | Very low | 24.2 | Very low | 129 Ų | 129 | 127.6 Ų | 127.6 | 69% | 0.69 | 71% | 0.705 | S | S | * | * | trans | 58.3 | 137.1 | 130.5 | -69.6 | 45.1 | 0 | 0 | 0 | 125.1 | ||||
| 1670 | D | 20.6 | Very low | 24.4 | Very low | 129 Ų | 129 | 131.2 Ų | 131.2 | 69% | 0.69 | 72% | 0.715 | S | S | * | * | 73.9 | 122.8 | 126.8 | -65.9 | -27.4 | 0 | 0 | 0 | 124.6 | |||||
| 1671 | V | 23 | Very low | 24.4 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 71% | 0.709 | 72% | 0.72 | S | S | * | * | 73.6 | 100.5 | 120.8 | 179.7 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 1672 | N | 23.6 | Very low | 24.3 | Very low | 142 Ų | 142 | 135.5 Ų | 135.5 | 76% | 0.759 | 72% | 0.722 | S | S | * | * | 78.4 | 157.9 | 129.2 | -91.1 | -30.5 | 0 | 0 | 0 | 125.2 | |||||
| 1673 | I | 25 | Very low | 24.3 | Very low | 123 Ų | 123 | 139.7 Ų | 139.7 | 63% | 0.631 | 73% | 0.732 | S | S | * | * | trans | 83.2 | 82.4 | 150.9 | -68.9 | 151.9 | 0 | 0 | 0 | 120.4 | C1684 | I1673-C1684 WeakPolarHBondContact O-CB 3.14Å; I1673-C1684 PolarHBondContact O-SG 3.27Å; I1673-C1684 VanDerWaalsContact O-SG 3.36Å | ||
| 1674 | K | 27.1 | Very low | 24.4 | Very low | 163 Ų | 163 | 140.4 Ų | 140.4 | 71% | 0.709 | 74% | 0.736 | S | S | * | * | 55.3 | 137.4 | 106.3 | -71.3 | -173.2 | 177.8 | -174.1 | 0 | 123.9 | |||||
| 1675 | N | 28.8 | Very low | 24.7 | Very low | 145 Ų | 145 | 143.1 Ų | 143.1 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | trans | 82.9 | 104 | 142.2 | -66.5 | 5.5 | 0 | 0 | 0 | 121.9 | ||||
| 1676 | K | 25.9 | Very low | 24.9 | Very low | 208 Ų | 208 | 142.4 Ų | 142.4 | 90% | 0.904 | 74% | 0.739 | S | S | * | * | -164.7 | 174.8 | 92.6 | -119.8 | -176.8 | 179.4 | -176.1 | 0 | 112.2 | |||||
| 1677 | S | 30.9 | Very low | 25 | Very low | 108 Ų | 108 | 142.7 Ų | 142.7 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | trans | -110.4 | 119.3 | -166.8 | 54.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1678 | V | 23.7 | Very low | 25.2 | Very low | 135 Ų | 135 | 142.3 Ų | 142.3 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -140.2 | -178.5 | 150.1 | 166.7 | 0 | 0 | 0 | 0 | 105.2 | ||
| 1679 | S | 26.7 | Very low | 25.2 | Very low | 93 Ų | 93 | 144.7 Ų | 144.7 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -50.1 | 149.3 | 163 | 52.7 | 0 | 0 | 0 | 0 | 112 | ||
| 1680 | E | 30.3 | Very low | 25.7 | Very low | 177 Ų | 177 | 142 Ų | 142 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 66.5 | 110 | 171.7 | -53.6 | -179.1 | 141.4 | 0 | 0 | 114.8 | E1682 | E1680-E1682 PolarHBondContact O-N 2.67Š|
| 1681 | L | 23.7 | Very low | 25.9 | Very low | 168 Ų | 168 | 146 Ų | 146 | 88% | 0.88 | 76% | 0.761 | S | S | * | * | trans | -81.8 | 72.7 | -163.9 | -164.9 | 85.9 | 0 | 0 | 0 | 114.6 | K1683 | L1681-K1683 PolarHBondContact O-N 3Š| ||
| 1682 | E | 24.2 | Very low | 26.2 | Very low | 169 Ų | 169 | 144.5 Ų | 144.5 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | -92.1 | 85.5 | 173 | -70.8 | -127.2 | 107.7 | 0 | 0 | 114 | E1680 | E1680-E1682 PolarHBondContact O-N 2.67Š| ||
| 1683 | K | 26 | Very low | 26.4 | Very low | 184 Ų | 184 | 145.4 Ų | 145.4 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | trans | 48 | 168.9 | 132.3 | -63.7 | 167 | -172.8 | 160.6 | 0 | 121.3 | L1681 | L1681-K1683 PolarHBondContact O-N 3Š| ||
| 1684 | C | 23.5 | Very low | 26.4 | Very low | 75 Ų | 75 | 145.6 Ų | 145.6 | 51% | 0.507 | 76% | 0.757 | S | S | . | * | trans | -111.7 | 146.8 | -158.6 | -33.8 | 0 | 0 | 0 | 0 | 114.2 | I1673 | I1673-C1684 WeakPolarHBondContact O-CB 3.14Å; I1673-C1684 PolarHBondContact O-SG 3.27Å; I1673-C1684 VanDerWaalsContact O-SG 3.36Å | ||
| 1685 | L | 26.8 | Very low | 26.3 | Very low | 159 Ų | 159 | 143 Ų | 143 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | trans | -170.3 | 154.5 | 136.5 | -130.6 | 74.2 | 0 | 0 | 0 | 114.9 | ||||
| 1686 | D | 26.9 | Very low | 26.1 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 68% | 0.684 | 76% | 0.755 | S | S | * | * | trans | 30.2 | 120.1 | 156.2 | -71.3 | -23.5 | 0 | 0 | 0 | 126.3 | ||||
| 1687 | M | 23.8 | Very low | 26.1 | Very low | 159 Ų | 159 | 139.6 Ų | 139.6 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | 55.6 | 131.1 | 125.7 | -61.3 | -169.6 | 67.5 | 0 | 0 | 124.4 | |||||
| 1688 | L | 25.2 | Very low | 25.7 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | trans | 77.5 | 94.2 | 154.2 | -69.4 | 170.3 | 0 | 0 | 0 | 121.1 | ||||
| 1689 | Q | 23 | Very low | 25.6 | Very low | 188 Ų | 188 | 137.3 Ų | 137.3 | 88% | 0.879 | 74% | 0.739 | S | S | * | * | trans | 48 | 102.3 | 135.1 | -63.4 | -174.2 | -12.4 | 0 | 0 | 120.1 | ||||
| 1690 | G | 30.5 | Very low | 25.3 | Very low | 73 Ų | 73 | 139 Ų | 139 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | trans | -123.2 | -17.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1691 | R | 26 | Very low | 24.9 | Very low | 212 Ų | 212 | 138.1 Ų | 138.1 | 80% | 0.8 | 74% | 0.744 | S | S | * | * | trans | 66.7 | 147.5 | -166.5 | -43.8 | -174.8 | 176.6 | 179.4 | -4 | 113 | Y1693 | R1691-Y1693 HydrophobicContact CB-CE1 4.28Å; R1691-Y1693 HydrophobicContact CB-CE2 4.31Å; R1691-Y1693 WeakPolarHBondContact CD-OH 3.36Å; R1691-Y1693 HydrophobicContact CG-CE1 4.09Å; R1691-Y1693 HydrophobicContact CG-CE2 4.28Å; R1691-Y1693 WeakPolarHBondContact CG-OH 3.23Å; R1691-Y1693 PolarHBondContact NE-OH 3.13Å | ||
| 1692 | A | 28.5 | Very low | 25 | Very low | 85 Ų | 85 | 136.1 Ų | 136.1 | 70% | 0.702 | 74% | 0.738 | S | S | * | * | cis | -143.9 | 156.9 | -0 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1693 | Y | 27.5 | Very low | 25 | Very low | 161 Ų | 161 | 135.2 Ų | 135.2 | 63% | 0.631 | 74% | 0.738 | S | S | * | * | cis | -172.8 | 172.9 | -22.9 | -92.2 | -38.5 | 0 | 0 | 0 | 105.5 | R1691 | R1691-Y1693 HydrophobicContact CB-CE1 4.28Å; R1691-Y1693 HydrophobicContact CB-CE2 4.31Å; R1691-Y1693 WeakPolarHBondContact CD-OH 3.36Å; R1691-Y1693 HydrophobicContact CG-CE1 4.09Å; R1691-Y1693 HydrophobicContact CG-CE2 4.28Å; R1691-Y1693 WeakPolarHBondContact CG-OH 3.23Å; R1691-Y1693 PolarHBondContact NE-OH 3.13Å | ||
| 1694 | D | 24.6 | Very low | 25 | Very low | 128 Ų | 128 | 133 Ų | 133 | 68% | 0.684 | 74% | 0.735 | S | S | * | * | -168.7 | 152.5 | -60.5 | -99.4 | 8.7 | 0 | 0 | 0 | 105.3 | |||||
| 1695 | T | 25.9 | Very low | 25.2 | Very low | 108 Ų | 108 | 136.2 Ų | 136.2 | 66% | 0.663 | 75% | 0.746 | S | S | * | * | cis | -154.7 | -178.7 | 16.2 | -14.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1696 | T | 24 | Very low | 25 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | trans | 65.7 | 178.2 | 159.9 | 47.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1697 | L | 27.3 | Very low | 24.9 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 82% | 0.817 | 75% | 0.753 | S | S | * | * | cis | -132.6 | -116.3 | 5.3 | -163.1 | 67.1 | 0 | 0 | 0 | 113.8 | ||||
| 1698 | S | 20.9 | Very low | 24.9 | Very low | 89 Ų | 89 | 135.7 Ų | 135.7 | 62% | 0.622 | 75% | 0.747 | S | S | * | * | trans | -164.1 | 162.9 | -158 | 65.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1699 | C | 21.7 | Very low | 25 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 72% | 0.716 | 75% | 0.75 | S | S | * | * | trans | 71 | 122.3 | 140.4 | -76.4 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1700 | T | 21 | Very low | 25.2 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 78% | 0.779 | 74% | 0.739 | S | S | * | * | trans | 68.4 | 169.4 | 130.5 | 58.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 1701 | M | 21.7 | Very low | 24.9 | Very low | 160 Ų | 160 | 134.3 Ų | 134.3 | 79% | 0.788 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -36.2 | 159 | 160.6 | -60.8 | 169.6 | 61.9 | 0 | 0 | 115.2 | I1703 | M1701-I1703 PolarHBondContact O-N 3.4Š|
| 1702 | T | 26.3 | Very low | 24.8 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 77% | 0.767 | 74% | 0.738 | S | S | * | * | trans | -9.7 | 117.5 | 154 | 41 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1703 | I | 24.9 | Very low | 24.7 | Very low | 151 Ų | 151 | 131.5 Ų | 131.5 | 77% | 0.774 | 74% | 0.74 | S | S | * | * | trans | -150.8 | 127.2 | 148 | -99.3 | 148.6 | 0 | 0 | 0 | 107.5 | M1701 | M1701-I1703 PolarHBondContact O-N 3.4Š| ||
| 1704 | D | 25 | Very low | 24.7 | Very low | 138 Ų | 138 | 128.8 Ų | 128.8 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | trans | -75.2 | 140.5 | 179.6 | -51.1 | -92.2 | 0 | 0 | 0 | 112.6 | ||||
| 1705 | N | 27.5 | Very low | 24.9 | Very low | 141 Ų | 141 | 128 Ų | 128 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | trans | -157.2 | 96.1 | 145.9 | -89.6 | -56.8 | 0 | 0 | 0 | 108.1 | ||||
| 1706 | K | 23 | Very low | 25 | Very low | 171 Ų | 171 | 128.7 Ų | 128.7 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | 62.3 | 92.1 | 87.6 | -69.6 | -174.7 | 175.7 | -176.3 | 0 | 113.7 | |||||
| 1707 | N | 24.6 | Very low | 25.2 | Very low | 171 Ų | 171 | 128.9 Ų | 128.9 | 91% | 0.914 | 76% | 0.757 | S | S | * | * | trans | -151.9 | 76.6 | 132.6 | -97.9 | -16.5 | 0 | 0 | 0 | 108.4 | ||||
| 1708 | S | 23.9 | Very low | 25.1 | Very low | 94 Ų | 94 | 126.4 Ų | 126.4 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | trans | -64.7 | 165.6 | 154.9 | 53.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1709 | T | 28.2 | Very low | 25.3 | Very low | 131 Ų | 131 | 132.7 Ų | 132.7 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | 62.9 | 138.2 | 172.7 | 50.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1710 | S | 25.7 | Very low | 25.4 | Very low | 92 Ų | 92 | 133.6 Ų | 133.6 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | cis | -170.5 | -179 | -7.6 | 48.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1711 | L | 24.8 | Very low | 25.7 | Very low | 148 Ų | 148 | 134.9 Ų | 134.9 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | trans | 22.5 | 125.1 | 132.5 | -63.2 | 168.4 | 0 | 0 | 0 | 116.8 | ||||
| 1712 | T | 23.8 | Very low | 25.9 | Very low | 124 Ų | 124 | 136.7 Ų | 136.7 | 76% | 0.761 | 76% | 0.757 | S | S | * | * | cis | -154 | 172 | 25.3 | 9.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1713 | P | 27.4 | Very low | 25.7 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | trans | -71.4 | 135.7 | -173.2 | 28.1 | -35 | 0 | 0 | 0 | 114.5 | ||||
| 1714 | S | 25.7 | Very low | 25.8 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | 58.7 | 145.5 | 146.3 | 76.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1715 | S | 28.9 | Very low | 25.8 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | trans | 79 | 157 | 163.1 | 85.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 1716 | P | 29.7 | Very low | 25.7 | Very low | 122 Ų | 122 | 137 Ų | 137 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | trans | -101.7 | 102.5 | -153 | 36.4 | -33.3 | 0 | 0 | 0 | 115.8 | ||||
| 1717 | T | 27.6 | Very low | 25.7 | Very low | 129 Ų | 129 | 134.2 Ų | 134.2 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | -161.6 | 118.1 | 152.8 | 14.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1718 | S | 24.6 | Very low | 25.7 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | 41 | 142.6 | 144.3 | 61.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1719 | R | 25.6 | Very low | 25.6 | Very low | 221 Ų | 221 | 134.3 Ų | 134.3 | 83% | 0.834 | 74% | 0.741 | S | S | * | * | cis | -172.9 | 151.5 | 6.8 | -121.5 | 177.6 | 177.7 | 164.4 | -1.4 | 109.8 | ||||
| 1720 | N | 24.4 | Very low | 25.2 | Very low | 126 Ų | 126 | 134.7 Ų | 134.7 | 67% | 0.674 | 74% | 0.738 | S | S | * | * | trans | 37.8 | 148.7 | 141.3 | -59.2 | 10 | 0 | 0 | 0 | 123.5 | ||||
| 1721 | Q | 26.2 | Very low | 25 | Very low | 153 Ų | 153 | 140.7 Ų | 140.7 | 72% | 0.715 | 75% | 0.753 | S | S | * | * | trans | 75.9 | 145 | 159 | -69.3 | 167.2 | -25.2 | 0 | 0 | 116.5 | ||||
| 1722 | Y | 26.5 | Very low | 25 | Very low | 198 Ų | 198 | 137.1 Ų | 137.1 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | cis | -154.5 | 148.8 | -3.8 | -117.6 | -48.1 | 0 | 0 | 0 | 110.2 | ||||
| 1723 | D | 21.9 | Very low | 24.9 | Very low | 147 Ų | 147 | 138.5 Ų | 138.5 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | trans | -60.8 | 158 | 154.9 | -81.3 | -72.2 | 0 | 0 | 0 | 111.4 | ||||
| 1724 | V | 27.1 | Very low | 24.8 | Very low | 125 Ų | 125 | 140 Ų | 140 | 76% | 0.758 | 74% | 0.743 | S | S | * | * | trans | 168.8 | 123.1 | 131 | 148.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1725 | N | 24.4 | Very low | 24.6 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 66% | 0.658 | 72% | 0.724 | S | S | * | * | trans | 46.3 | 127.6 | 144.4 | -71.4 | -45.5 | 0 | 0 | 0 | 124.3 | ||||
| 1726 | K | 25.1 | Very low | 24.3 | Very low | 168 Ų | 168 | 136.8 Ų | 136.8 | 73% | 0.73 | 71% | 0.712 | S | S | * | * | 76 | 129.7 | 120.6 | -70.2 | 179.2 | -178.2 | -179.2 | 0 | 123.4 | |||||
| 1727 | T | 23.5 | Very low | 24 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 68% | 0.681 | 71% | 0.705 | S | S | * | * | 78.1 | 151.6 | 129.7 | 57 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1728 | F | 24.6 | Very low | 23.9 | Very low | 183 Ų | 183 | 140.8 Ų | 140.8 | 80% | 0.803 | 71% | 0.706 | S | S | * | * | trans | 75.2 | 100.9 | 163.1 | -68.7 | -69 | 0 | 0 | 0 | 118.9 | ||||
| 1729 | S | 21.7 | Very low | 23.8 | Very low | 84 Ų | 84 | 140.2 Ų | 140.2 | 59% | 0.587 | 70% | 0.698 | S | S | * | * | 13.5 | 135.7 | 125.8 | 58.3 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 1730 | D | 21 | Very low | 24.1 | Very low | 139 Ų | 139 | 135.3 Ų | 135.3 | 74% | 0.743 | 70% | 0.695 | S | S | * | * | trans | 59 | 137 | 138.2 | -49.4 | -20.9 | 0 | 0 | 0 | 121.3 | ||||
| 1731 | F | 21.4 | Very low | 24.3 | Very low | 218 Ų | 218 | 135.6 Ų | 135.6 | 96% | 0.956 | 70% | 0.697 | S | S | * | * | trans | 65.9 | 149.3 | 169 | -69.5 | -80.5 | 0 | 0 | 0 | 118.9 | ||||
| 1732 | G | 24.3 | Very low | 24.7 | Very low | 73 Ų | 73 | 135.3 Ų | 135.3 | 75% | 0.753 | 70% | 0.695 | S | S | * | * | trans | 124.8 | 69.7 | 151.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1733 | Y | 22.3 | Very low | 24.6 | Very low | 154 Ų | 154 | 132.5 Ų | 132.5 | 60% | 0.604 | 69% | 0.692 | S | S | * | * | trans | -51.5 | 143.5 | 162.9 | -66.1 | -84.6 | 0 | 0 | 0 | 112.6 | S2621 F2622 | Y1733-S2621 WeakPolarHBondContact CD2-O 3.35Å; Y1733-S2621 WeakPolarHBondContact CE2-O 3.09Å; Y1733-F2622 VanDerWaalsContact CD1-C 3.45Å; Y1733-F2622 WeakPolarHBondContact CD1-O 3.42Å; Y1733-F2622 VanDerWaalsContact CE1-C 3.45Å; Y1733-F2622 WeakPolarHBondContact CE1-O 3.4Å | ||
| 1734 | M | 24.4 | Very low | 25 | Very low | 145 Ų | 145 | 130.2 Ų | 130.2 | 71% | 0.714 | 69% | 0.685 | S | S | * | * | trans | 177.1 | 100.6 | 130.6 | -95.3 | -72 | 175.6 | 0 | 0 | 113.4 | ||||
| 1735 | N | 21.5 | Very low | 24.8 | Very low | 65 Ų | 65 | 129 Ų | 129 | 35% | 0.348 | 68% | 0.682 | S | S | . | * | 37.3 | 130.2 | 122.6 | -94.6 | -59 | 0 | 0 | 0 | 123.5 | |||||
| 1736 | T | 23.1 | Very low | 24.8 | Very low | 84 Ų | 84 | 128.8 Ų | 128.8 | 52% | 0.515 | 69% | 0.686 | S | S | . | * | trans | 90.7 | 145.3 | 139 | 72.4 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1737 | K | 23.7 | Very low | 24.9 | Very low | 151 Ų | 151 | 127.3 Ų | 127.3 | 66% | 0.657 | 69% | 0.685 | S | S | * | * | trans | 74.4 | 134.1 | 161.1 | -67.3 | 152.9 | -176.3 | 162.5 | 0 | 116.9 | ||||
| 1738 | F | 25.6 | Very low | 24.9 | Very low | 185 Ų | 185 | 128.3 Ų | 128.3 | 81% | 0.811 | 69% | 0.685 | S | S | * | * | cis | -137 | 148.1 | 12.4 | -64 | -93 | 0 | 0 | 0 | 109.8 | ||||
| 1739 | T | 21.6 | Very low | 24.7 | Very low | 92 Ų | 92 | 126.5 Ų | 126.5 | 56% | 0.564 | 68% | 0.676 | S | S | * | * | cis | 57.7 | 125.1 | -2.5 | 72.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1740 | P | 31.3 | Very low | 24.8 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 76% | 0.76 | 68% | 0.681 | S | S | * | * | cis | -128.7 | -169.9 | -12.2 | 42.8 | -27.1 | 0 | 0 | 0 | 112.8 | ||||
| 1741 | N | 28.9 | Very low | 24.8 | Very low | 133 Ų | 133 | 129.3 Ų | 129.3 | 71% | 0.711 | 68% | 0.677 | S | S | * | * | trans | -167.6 | 138.9 | 144.8 | -111.7 | -21.4 | 0 | 0 | 0 | 117.5 | ||||
| 1742 | H | 34 | Very low | 24.8 | Very low | 147 Ų | 147 | 123.2 Ų | 123.2 | 68% | 0.681 | 66% | 0.658 | S | S | * | * | trans | 55.1 | 137.7 | 159.5 | -61 | -64 | 0 | 0 | 0 | 122.9 | ||||
| 1743 | I | 25.2 | Very low | 24.6 | Very low | 139 Ų | 139 | 123.6 Ų | 123.6 | 71% | 0.713 | 65% | 0.645 | S | S | * | * | cis | 138 | 142.6 | -9.8 | -90 | 165.7 | 0 | 0 | 0 | 109.8 | ||||
| 1744 | P | 29.6 | Very low | 24.6 | Very low | 98 Ų | 98 | 124.2 Ų | 124.2 | 64% | 0.636 | 65% | 0.653 | S | S | * | * | cis | -141 | -170.3 | -21.7 | 38.3 | -17.9 | 0 | 0 | 0 | 115 | ||||
| 1745 | S | 23.9 | Very low | 24.4 | Very low | 99 Ų | 99 | 122.3 Ų | 122.3 | 69% | 0.692 | 65% | 0.65 | S | S | * | * | trans | 66.1 | 149.2 | 143.1 | 67.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 1746 | T | 25 | Very low | 24.4 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 74% | 0.736 | 67% | 0.671 | S | S | * | * | cis | -168.1 | 168.8 | -8.8 | 25.3 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1747 | L | 25.5 | Very low | 24.4 | Very low | 136 Ų | 136 | 129.4 Ų | 129.4 | 71% | 0.712 | 68% | 0.681 | S | S | * | * | cis | -174.7 | 146.9 | 39.7 | -157.1 | 70 | 0 | 0 | 0 | 110.9 | ||||
| 1748 | I | 23.5 | Very low | 24.4 | Very low | 133 Ų | 133 | 129.8 Ų | 129.8 | 68% | 0.682 | 69% | 0.687 | S | S | * | * | trans | 80.2 | 118.3 | 141.5 | -96.4 | 174.3 | 0 | 0 | 0 | 124.5 | ||||
| 1749 | K | 21.4 | Very low | 24.7 | Very low | 144 Ų | 144 | 126.1 Ų | 126.1 | 63% | 0.626 | 68% | 0.682 | S | S | * | * | trans | 82.6 | 136.1 | 135.9 | -77.9 | 179.7 | 164.5 | -159 | 0 | 126.2 | ||||
| 1750 | Y | 23.5 | Very low | 24.9 | Very low | 177 Ų | 177 | 128.9 Ų | 128.9 | 69% | 0.694 | 69% | 0.692 | S | S | * | * | trans | 60.7 | 133.9 | 144.9 | -60.2 | -36.5 | 0 | 0 | 0 | 118.9 | ||||
| 1751 | T | 20.9 | Very low | 24.4 | Very low | 106 Ų | 106 | 127.1 Ų | 127.1 | 65% | 0.65 | 68% | 0.682 | S | S | * | * | cis | 85.7 | 121.5 | 37.3 | 69.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1752 | T | 21.2 | Very low | 24.1 | Very low | 90 Ų | 90 | 125.5 Ų | 125.5 | 55% | 0.552 | 68% | 0.68 | S | S | * | * | trans | 70.6 | 155.5 | 148.7 | 50.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1753 | T | 21 | Very low | 23.6 | Very low | 80 Ų | 80 | 125.8 Ų | 125.8 | 49% | 0.491 | 69% | 0.685 | S | S | . | * | trans | 68.3 | 116.9 | 157.4 | 44.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1754 | H | 21.8 | Very low | 23.6 | Very low | 167 Ų | 167 | 124.3 Ų | 124.3 | 77% | 0.773 | 69% | 0.687 | S | S | * | * | trans | 66.8 | 149 | 140.2 | -62.5 | -47.9 | 0 | 0 | 0 | 118.4 | ||||
| 1755 | T | 21.5 | Very low | 23.7 | Very low | 105 Ų | 105 | 127.6 Ų | 127.6 | 64% | 0.644 | 69% | 0.694 | S | S | * | * | cis | -160.2 | 144.6 | 12.2 | 1.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1756 | F | 21.5 | Very low | 23.8 | Very low | 179 Ų | 179 | 129.2 Ų | 129.2 | 79% | 0.785 | 70% | 0.695 | S | S | * | * | trans | 67.8 | 149.3 | 139.5 | -83.8 | -136.9 | 0 | 0 | 0 | 122.5 | ||||
| 1757 | T | 22.9 | Very low | 24 | Very low | 120 Ų | 120 | 134.1 Ų | 134.1 | 74% | 0.736 | 70% | 0.702 | S | S | * | * | trans | 65.8 | 105.8 | 142.7 | 51 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1758 | M | 23.3 | Very low | 24.2 | Very low | 158 Ų | 158 | 131.7 Ų | 131.7 | 78% | 0.778 | 70% | 0.696 | S | S | * | * | -59.3 | 161.6 | 113.1 | -77.2 | -164.9 | -174.3 | 0 | 0 | 111.5 | |||||
| 1759 | P | 30.8 | Very low | 24.2 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 70% | 0.701 | 70% | 0.697 | S | S | * | * | cis | -129 | -123 | -13 | 38.3 | -20.1 | 0 | 0 | 0 | 110.6 | ||||
| 1760 | I | 26 | Very low | 24.4 | Very low | 150 Ų | 150 | 130 Ų | 130 | 77% | 0.769 | 70% | 0.703 | S | S | * | * | trans | 80.9 | 84.9 | 176.4 | -51.5 | 177.2 | 0 | 0 | 0 | 114.3 | ||||
| 1761 | S | 21.7 | Very low | 24.5 | Very low | 81 Ų | 81 | 129.2 Ų | 129.2 | 57% | 0.566 | 71% | 0.71 | S | S | * | * | trans | -67.6 | 166.2 | 154.3 | 58.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1762 | C | 22.2 | Very low | 24.6 | Very low | 99 Ų | 99 | 127.7 Ų | 127.7 | 67% | 0.669 | 70% | 0.704 | S | S | * | * | trans | 67.8 | 174 | 170.3 | -50.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1763 | I | 22.8 | Very low | 24.8 | Very low | 152 Ų | 152 | 127.9 Ų | 127.9 | 78% | 0.779 | 71% | 0.708 | S | S | * | * | cis | -138 | 96.7 | 9.1 | -49.6 | 160.7 | 0 | 0 | 0 | 110.6 | ||||
| 1764 | S | 25.9 | Very low | 24.9 | Very low | 108 Ų | 108 | 128.5 Ų | 128.5 | 76% | 0.755 | 71% | 0.708 | S | S | * | * | trans | -176.7 | 136.5 | 159.4 | -175.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1765 | Q | 30.9 | Very low | 25 | Very low | 167 Ų | 167 | 125 Ų | 125 | 78% | 0.78 | 70% | 0.703 | S | S | * | * | cis | -149.7 | 117.4 | -21.3 | -108.5 | -174.6 | 10.4 | 0 | 0 | 108.9 | ||||
| 1766 | N | 27.4 | Very low | 25 | Very low | 134 Ų | 134 | 125 Ų | 125 | 72% | 0.717 | 71% | 0.707 | S | S | * | * | trans | 25.7 | 120.3 | 136.1 | -48.9 | -8.9 | 0 | 0 | 0 | 118.9 | ||||
| 1767 | Y | 29.4 | Very low | 25.3 | Very low | 223 Ų | 223 | 122.7 Ų | 122.7 | 88% | 0.875 | 71% | 0.708 | S | S | * | * | -153.9 | 147.8 | 86.7 | -117.5 | -85.3 | 0 | 0 | 0 | 113.1 | |||||
| 1768 | S | 28.3 | Very low | 25.3 | Very low | 84 Ų | 84 | 123.6 Ų | 123.6 | 59% | 0.587 | 70% | 0.704 | S | S | * | * | trans | -55 | 152.5 | 172.9 | 19.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1769 | S | 25.1 | Very low | 25.7 | Very low | 100 Ų | 100 | 120.6 Ų | 120.6 | 70% | 0.699 | 69% | 0.687 | S | S | * | * | 66 | 146.9 | 51.5 | 99 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1770 | N | 25.3 | Very low | 25.5 | Very low | 142 Ų | 142 | 123 Ų | 123 | 76% | 0.759 | 69% | 0.689 | S | S | * | * | cis | -157.6 | 163.6 | -8.3 | -117.7 | 3.9 | 0 | 0 | 0 | 108.7 | ||||
| 1771 | L | 24.6 | Very low | 25.7 | Very low | 160 Ų | 160 | 122.8 Ų | 122.8 | 84% | 0.838 | 69% | 0.685 | S | S | * | * | trans | 62.5 | 153.4 | -174.3 | -83.7 | 71.4 | 0 | 0 | 0 | 114.2 | ||||
| 1772 | S | 23.2 | Very low | 26.1 | Very low | 75 Ų | 75 | 124.1 Ų | 124.1 | 52% | 0.524 | 69% | 0.686 | S | S | . | * | cis | -159.1 | -147.2 | -16.9 | 56.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 1773 | S | 25 | Very low | 26.3 | Very low | 93 Ų | 93 | 125.5 Ų | 125.5 | 65% | 0.65 | 68% | 0.682 | S | S | * | * | trans | 104.5 | 60.7 | 155.8 | -134.2 | 0 | 0 | 0 | 0 | 123.1 | V683 | V683-S1773 VanDerWaalsContact CG1-CA 3.49Å; V683-S1773 WeakPolarHBondContact CG2-OG 3.26Å | ||
| 1774 | L | 23.1 | Very low | 26.5 | Very low | 93 Ų | 93 | 126.7 Ų | 126.7 | 49% | 0.487 | 68% | 0.677 | S | S | . | * | trans | 51.4 | 160.7 | 134.7 | -134.3 | 71.1 | 0 | 0 | 0 | 123.9 | V683 | V683-L1774 HydrophobicContact CB-CB 4.43Å; V683-L1774 HydrophobicContact CG1-CB 3.72Å; V683-L1774 HydrophobicContact CG1-CD1 3.57Å; V683-L1774 HydrophobicContact CG1-CG 4.19Å; V683-L1774 HydrophobicContact CG2-CB 3.82Å; V683-L1774 HydrophobicContact CG2-CD1 4.49Å; V683-L1774 HydrophobicContact CG2-CD2 4.39Å; V683-L1774 HydrophobicContact CG2-CG 4.44Å | ||
| 1775 | S | 23.3 | Very low | 26.5 | Very low | 95 Ų | 95 | 129.2 Ų | 129.2 | 66% | 0.664 | 68% | 0.677 | S | S | * | * | trans | 70.2 | 113.6 | 160.3 | 61.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1776 | S | 23.4 | Very low | 26.2 | Very low | 103 Ų | 103 | 125.5 Ų | 125.5 | 72% | 0.72 | 66% | 0.66 | S | S | * | * | cis | 79.5 | 127.4 | 46.3 | 80.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1777 | T | 26.3 | Very low | 26.2 | Very low | 132 Ų | 132 | 127.7 Ų | 127.7 | 81% | 0.81 | 66% | 0.659 | S | S | * | * | cis | -160.6 | -171.3 | 2.8 | -4.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1778 | E | 23.1 | Very low | 25.9 | Very low | 138 Ų | 138 | 121.2 Ų | 121.2 | 65% | 0.645 | 65% | 0.647 | S | S | * | * | trans | 82.3 | 125.4 | 175.4 | -52.1 | -157.4 | 126.8 | 0 | 0 | 116.4 | ||||
| 1779 | H | 32.7 | Very low | 25.8 | Very low | 95 Ų | 95 | 121.5 Ų | 121.5 | 44% | 0.44 | 64% | 0.637 | S | S | . | * | cis | -156.7 | 165.4 | 41.6 | -103 | -48.2 | 0 | 0 | 0 | 116 | L976 | L976-H1779 WeakPolarHBondContact CA-NE2 3.45Å; L976-H1779 HydrophobicContact CD2-CB 4.49Å; L976-H1779 PolarHBondContact N-NE2 2.67Å | ||
| 1780 | Q | 26.6 | Very low | 25.8 | Very low | 158 Ų | 158 | 121.2 Ų | 121.2 | 74% | 0.738 | 63% | 0.627 | S | S | * | * | trans | -91.4 | 152.9 | 159.4 | -67.8 | -168.9 | 9.2 | 0 | 0 | 112.6 | ||||
| 1781 | Q | 30.5 | Very low | 26.3 | Very low | 147 Ų | 147 | 118.7 Ų | 118.7 | 69% | 0.687 | 62% | 0.618 | S | S | * | * | trans | -167.5 | 141.7 | 154.7 | -102.8 | -166.1 | 38.1 | 0 | 0 | 106.4 | ||||
| 1782 | N | 29.9 | Very low | 26.5 | Very low | 108 Ų | 108 | 116.6 Ų | 116.6 | 58% | 0.578 | 61% | 0.612 | S | S | * | * | cis | -155.2 | 162.6 | 14 | -84.3 | -54.5 | 0 | 0 | 0 | 107.2 | ||||
| 1783 | Q | 26.5 | Very low | 26.7 | Very low | 128 Ų | 128 | 119.4 Ų | 119.4 | 60% | 0.598 | 62% | 0.62 | S | S | * | * | cis | -174.5 | 158 | -9.6 | -110.1 | -173 | 68.1 | 0 | 0 | 106.7 | ||||
| 1784 | R | 25.2 | Very low | 26.8 | Very low | 177 Ų | 177 | 122.2 Ų | 122.2 | 67% | 0.668 | 62% | 0.623 | S | S | * | * | cis | -172.2 | 176.1 | -8.2 | -146.8 | 179.4 | -140.1 | 163.9 | -8.7 | 110.8 | ||||
| 1785 | Q | 26.3 | Very low | 26.9 | Very low | 161 Ų | 161 | 122.4 Ų | 122.4 | 75% | 0.752 | 63% | 0.632 | S | S | * | * | trans | 91.8 | 127 | 155.7 | -44.1 | -149.7 | -53.8 | 0 | 0 | 118.6 | ||||
| 1786 | H | 25.7 | Very low | 27 | Very low | 90 Ų | 90 | 122.2 Ų | 122.2 | 42% | 0.417 | 63% | 0.627 | S | S | . | * | cis | -166.9 | 156.5 | -16.1 | -110.9 | -48.9 | 0 | 0 | 0 | 113.4 | ||||
| 1787 | Y | 25.7 | Very low | 27.1 | Very low | 180 Ų | 180 | 124.7 Ų | 124.7 | 71% | 0.706 | 63% | 0.627 | S | S | * | * | trans | 72.7 | 138.1 | 168.9 | -58.4 | -71.4 | 0 | 0 | 0 | 117.4 | ||||
| 1788 | S | 24.5 | Very low | 27.1 | Very low | 87 Ų | 87 | 128.3 Ų | 128.3 | 61% | 0.608 | 63% | 0.628 | S | S | * | * | cis | 175.2 | 153.7 | -15.3 | 45.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1789 | F | 26.2 | Very low | 27.1 | Very low | 89 Ų | 89 | 128 Ų | 128 | 39% | 0.39 | 63% | 0.63 | S | S | . | * | cis | -168.2 | 174.1 | -24.4 | -158.9 | -103.5 | 0 | 0 | 0 | 109.7 | V972 Y973 | V972-F1789 HydrophobicContact CG2-CB 4.33Å; Y973-F1789 HydrophobicContact CD1-CD2 4.41Å; Y973-F1789 HydrophobicContact CD1-CE2 4.06Å; Y973-F1789 HydrophobicContact CD1-CZ 4.17Å; Y973-F1789 HydrophobicContact CE1-CE2 4.42Å | ||
| 1790 | I | 25.2 | Very low | 26.9 | Very low | 95 Ų | 95 | 131.3 Ų | 131.3 | 49% | 0.487 | 65% | 0.646 | S | S | . | * | trans | -138.1 | -155.2 | -171.3 | 53 | 169.6 | 0 | 0 | 0 | 110.5 | ||||
| 1791 | P | 34.9 | Very low | 26.8 | Very low | 89 Ų | 89 | 129.3 Ų | 129.3 | 58% | 0.578 | 65% | 0.649 | S | S | * | * | cis | -129.1 | -153.9 | -28.3 | 27.5 | -3 | 0 | 0 | 0 | 113.7 | ||||
| 1792 | V | 29.3 | Very low | 26.6 | Very low | 116 Ų | 116 | 126 Ų | 126 | 70% | 0.703 | 66% | 0.655 | S | S | * | * | 125.4 | 150.9 | 112.9 | 99.8 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 1793 | L | 28.2 | Very low | 26.7 | Very low | 133 Ų | 133 | 124.9 Ų | 124.9 | 70% | 0.696 | 66% | 0.655 | S | S | * | * | trans | 74.7 | 157.3 | 151.1 | -64.8 | 172.4 | 0 | 0 | 0 | 123.3 | ||||
| 1794 | E | 26.1 | Very low | 27.3 | Very low | 152 Ų | 152 | 122.7 Ų | 122.7 | 71% | 0.71 | 65% | 0.652 | S | S | * | * | cis | -153 | 132.2 | 13.1 | -145.1 | 141 | -150.1 | 0 | 0 | 113.9 | ||||
| 1795 | S | 25.6 | Very low | 27.5 | Very low | 97 Ų | 97 | 117.5 Ų | 117.5 | 68% | 0.678 | 64% | 0.643 | S | S | * | * | 66.4 | 159 | 106.3 | 106.5 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 1796 | T | 24.9 | Very low | 27.6 | Very low | 91 Ų | 91 | 116.1 Ų | 116.1 | 56% | 0.558 | 64% | 0.641 | S | S | * | * | cis | -140.4 | -143.5 | -6 | -13.5 | 0 | 0 | 0 | 0 | 109.3 | Y1798 | T1796-Y1798 HydrophobicContact CG2-CD2 3.9Å; T1796-Y1798 HydrophobicContact CG2-CE2 3.87Å | ||
| 1797 | E | 25.9 | Very low | 27.7 | Very low | 156 Ų | 156 | 116.4 Ų | 116.4 | 73% | 0.729 | 65% | 0.653 | S | S | * | * | cis | -163 | 152 | -4 | -124.5 | 142.3 | -88.1 | 0 | 0 | 105.5 | ||||
| 1798 | Y | 25.4 | Very low | 27.8 | Very low | 207 Ų | 207 | 113.1 Ų | 113.1 | 81% | 0.812 | 65% | 0.652 | S | S | * | * | cis | 85.1 | 135.4 | 31.6 | -52.6 | -40.3 | 0 | 0 | 0 | 116.2 | T1796 | T1796-Y1798 HydrophobicContact CG2-CD2 3.9Å; T1796-Y1798 HydrophobicContact CG2-CE2 3.87Å | ||
| 1799 | D | 24.6 | Very low | 27.8 | Very low | 132 Ų | 132 | 115.7 Ų | 115.7 | 71% | 0.706 | 66% | 0.657 | S | S | * | * | cis | -167.8 | 176 | -15.3 | 177.6 | 42.8 | 0 | 0 | 0 | 111.2 | ||||
| 1800 | H | 27.1 | Very low | 27.6 | Very low | 165 Ų | 165 | 116.7 Ų | 116.7 | 76% | 0.764 | 67% | 0.671 | S | S | * | * | trans | 121.8 | 148.3 | 148 | -60.8 | -15.6 | 0 | 0 | 0 | 118.9 | ||||
| 1801 | S | 24.6 | Very low | 27.6 | Very low | 116 Ų | 116 | 118.9 Ų | 118.9 | 81% | 0.811 | 69% | 0.689 | S | S | * | * | cis | -178 | 161.4 | -37.2 | 62.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1802 | G | 26.7 | Very low | 27 | Very low | 78 Ų | 78 | 118.9 Ų | 118.9 | 80% | 0.804 | 70% | 0.696 | S | S | * | * | trans | 154.4 | 131.1 | 159 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1803 | S | 31.7 | Very low | 26.6 | Very low | 84 Ų | 84 | 120.6 Ų | 120.6 | 59% | 0.587 | 70% | 0.7 | S | S | * | * | trans | -171.5 | -168.5 | 178.7 | 68.9 | 0 | 0 | 0 | 0 | 112.2 | G986 | G986-S1803 PolarHBondContact N-O 2.97Å; G986-S1803 VanDerWaalsContact N-O 3.13Å | ||
| 1804 | P | 40.1 | Very low | 26.3 | Very low | 81 Ų | 81 | 122 Ų | 122 | 53% | 0.526 | 71% | 0.708 | S | S | . | * | cis | -140.9 | -154.9 | -9.2 | 42.2 | -21 | 0 | 0 | 0 | 115.5 | ||||
| 1805 | S | 28.5 | Very low | 26.2 | Very low | 68 Ų | 68 | 122.8 Ų | 122.8 | 48% | 0.476 | 71% | 0.714 | S | S | . | * | trans | 102.1 | 148 | 149.3 | 81.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1806 | N | 28.6 | Very low | 26.1 | Very low | 133 Ų | 133 | 125.3 Ų | 125.3 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | cis | -148.8 | -160.2 | 5.8 | -145.6 | -9.8 | 0 | 0 | 0 | 109.5 | ||||
| 1807 | S | 27.9 | Very low | 26 | Very low | 96 Ų | 96 | 131.1 Ų | 131.1 | 67% | 0.671 | 73% | 0.731 | S | S | * | * | cis | -179.8 | 167.2 | 2.1 | 32.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1808 | T | 28.1 | Very low | 26 | Very low | 111 Ų | 111 | 129.5 Ų | 129.5 | 68% | 0.681 | 73% | 0.732 | S | S | * | * | cis | 179.8 | 154.2 | -34.5 | 43.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 1809 | I | 24.2 | Very low | 26 | Very low | 141 Ų | 141 | 126.3 Ų | 126.3 | 72% | 0.723 | 73% | 0.729 | S | S | * | * | cis | -177.1 | 160.4 | -26.7 | -154.8 | 176.7 | 0 | 0 | 0 | 110.8 | ||||
| 1810 | T | 23 | Very low | 25.9 | Very low | 109 Ų | 109 | 125.2 Ų | 125.2 | 67% | 0.669 | 72% | 0.723 | S | S | * | * | trans | 75.2 | 144.9 | 155.6 | 52.1 | 0 | 0 | 0 | 0 | 127.3 | ||||
| 1811 | T | 24.7 | Very low | 25.8 | Very low | 142 Ų | 142 | 125.6 Ų | 125.6 | 87% | 0.871 | 72% | 0.723 | S | S | * | * | trans | 87.7 | 159.1 | 138 | 40.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1812 | A | 20.9 | Very low | 25.9 | Very low | 88 Ų | 88 | 125.4 Ų | 125.4 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | trans | -131.2 | 175 | -164.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1813 | I | 21.5 | Very low | 25.9 | Very low | 153 Ų | 153 | 127.3 Ų | 127.3 | 79% | 0.785 | 70% | 0.704 | S | S | * | * | trans | 67.5 | 104.9 | 169.5 | -50.7 | 171.3 | 0 | 0 | 0 | 116 | ||||
| 1814 | N | 22.5 | Very low | 25.7 | Very low | 162 Ų | 162 | 131.8 Ų | 131.8 | 87% | 0.866 | 71% | 0.714 | S | S | * | * | -168.8 | 161.1 | 115.9 | -108.7 | -69.7 | 0 | 0 | 0 | 113.8 | |||||
| 1815 | M | 24 | Very low | 24.9 | Very low | 169 Ų | 169 | 134 Ų | 134 | 83% | 0.833 | 72% | 0.721 | S | S | * | * | trans | -102.1 | 143.8 | -177.9 | -59.4 | 175.7 | 178.1 | 0 | 0 | 112.9 | ||||
| 1816 | N | 24.1 | Very low | 24.7 | Very low | 149 Ų | 149 | 134.9 Ų | 134.9 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | trans | -176.2 | 118.2 | 141.7 | -93.1 | -45.8 | 0 | 0 | 0 | 107.8 | ||||
| 1817 | R | 21.8 | Very low | 24.3 | Very low | 214 Ų | 214 | 135.3 Ų | 135.3 | 81% | 0.808 | 72% | 0.724 | S | S | * | * | 91 | 130.9 | 60.8 | -93 | -167.8 | 169 | -162.3 | -1.5 | 113.7 | |||||
| 1818 | T | 25.1 | Very low | 24 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | trans | 66.6 | 147.3 | 165.2 | 65 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1819 | N | 25.3 | Very low | 23.7 | Very low | 140 Ų | 140 | 135.4 Ų | 135.4 | 75% | 0.749 | 72% | 0.717 | S | S | * | * | cis | -166.2 | 170.4 | -9.5 | -108.7 | 15.5 | 0 | 0 | 0 | 108.2 | ||||
| 1820 | N | 24.4 | Very low | 23.7 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 58% | 0.578 | 72% | 0.715 | S | S | * | * | cis | -176.6 | 165.6 | -40.1 | -156.3 | 82.2 | 0 | 0 | 0 | 107.5 | ||||
| 1821 | F | 23.6 | Very low | 23.6 | Very low | 173 Ų | 173 | 137.4 Ų | 137.4 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | trans | 71.8 | 152.9 | 171.5 | -62.1 | -64.4 | 0 | 0 | 0 | 116.3 | ||||
| 1822 | N | 26.7 | Very low | 23.4 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 60% | 0.599 | 71% | 0.705 | S | S | * | * | cis | -152 | 158.5 | 12.7 | -138.8 | 37.3 | 0 | 0 | 0 | 112.3 | ||||
| 1823 | D | 27.7 | Very low | 23.4 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 63% | 0.631 | 71% | 0.706 | S | S | * | * | trans | 62 | 150.7 | 157.6 | -46.4 | -35.2 | 0 | 0 | 0 | 119.3 | ||||
| 1824 | F | 26.8 | Very low | 23.4 | Very low | 178 Ų | 178 | 133.4 Ų | 133.4 | 78% | 0.781 | 70% | 0.695 | S | S | * | * | cis | -144.1 | 169.2 | 7.4 | -124.6 | -64.7 | 0 | 0 | 0 | 112 | ||||
| 1825 | D | 24.2 | Very low | 23.5 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 69% | 0.69 | 69% | 0.692 | S | S | * | * | trans | -43.7 | 170.3 | 166.5 | -68.5 | -60.2 | 0 | 0 | 0 | 117.3 | ||||
| 1826 | C | 23.1 | Very low | 23.5 | Very low | 85 Ų | 85 | 131.8 Ų | 131.8 | 57% | 0.574 | 68% | 0.682 | S | S | * | * | cis | -161.2 | -169.7 | -1.8 | -125.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1827 | Q | 20 | Very low | 23.4 | Very low | 142 Ų | 142 | 130.7 Ų | 130.7 | 66% | 0.664 | 68% | 0.676 | S | S | * | * | trans | -3.5 | 154.3 | 143.3 | -57.9 | 179.4 | -61.5 | 0 | 0 | 118 | ||||
| 1828 | Q | 22.9 | Very low | 23.4 | Very low | 116 Ų | 116 | 127 Ų | 127 | 54% | 0.542 | 67% | 0.672 | S | S | . | * | cis | -166.8 | 170.6 | 41.5 | -151.2 | 172.7 | -61.8 | 0 | 0 | 112.7 | E1830 | Q1828-E1830 PolarHBondContact NE2-OE1 2.63Š| ||
| 1829 | S | 20.6 | Very low | 23.3 | Very low | 94 Ų | 94 | 125.2 Ų | 125.2 | 66% | 0.657 | 67% | 0.665 | S | S | * | * | trans | -76 | 131.6 | 151.3 | 54.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1830 | E | 24 | Very low | 23.3 | Very low | 147 Ų | 147 | 124.3 Ų | 124.3 | 69% | 0.687 | 66% | 0.66 | S | S | * | * | trans | -150.2 | 131.6 | 147.9 | -102.2 | 157.7 | -140.8 | 0 | 0 | 104.7 | Q1828 | Q1828-E1830 PolarHBondContact NE2-OE1 2.63Š| ||
| 1831 | N | 21.2 | Very low | 23.2 | Very low | 145 Ų | 145 | 121.6 Ų | 121.6 | 78% | 0.775 | 65% | 0.645 | S | S | * | * | 53.9 | 137 | 77.1 | -64.5 | -31.6 | 0 | 0 | 0 | 112.2 | |||||
| 1832 | S | 20.9 | Very low | 23.2 | Very low | 81 Ų | 81 | 119.2 Ų | 119.2 | 57% | 0.566 | 64% | 0.635 | S | S | * | * | cis | -173.5 | -167.1 | -8.1 | 49.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1833 | N | 21.4 | Very low | 23 | Very low | 137 Ų | 137 | 118.1 Ų | 118.1 | 73% | 0.733 | 63% | 0.626 | S | S | * | * | trans | 41.5 | 102.2 | 138.4 | -60.9 | -9.3 | 0 | 0 | 0 | 115.9 | ||||
| 1834 | S | 21.6 | Very low | 22.8 | Very low | 81 Ų | 81 | 117.4 Ų | 117.4 | 57% | 0.566 | 63% | 0.626 | S | S | * | * | 117.1 | 166 | 73.2 | 60 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 1835 | F | 23.5 | Very low | 22.6 | Very low | 182 Ų | 182 | 115.5 Ų | 115.5 | 80% | 0.798 | 62% | 0.622 | S | S | * | * | trans | 61.3 | 124.3 | 158.6 | -59.2 | -47.5 | 0 | 0 | 0 | 117.2 | ||||
| 1836 | N | 24.4 | Very low | 22.7 | Very low | 115 Ų | 115 | 118 Ų | 118 | 62% | 0.615 | 63% | 0.629 | S | S | * | * | cis | -160.2 | 167 | -7.8 | -145.9 | -3.2 | 0 | 0 | 0 | 110.6 | N1838 | N1836-N1838 PolarHBondContact O-N 3.32Š| ||
| 1837 | N | 22.1 | Very low | 22.7 | Very low | 126 Ų | 126 | 120.3 Ų | 120.3 | 67% | 0.674 | 63% | 0.631 | S | S | * | * | trans | -22.8 | 130.4 | 145 | -53.2 | -13.7 | 0 | 0 | 0 | 111.2 | ||||
| 1838 | N | 22.5 | Very low | 22.8 | Very low | 136 Ų | 136 | 119.4 Ų | 119.4 | 73% | 0.727 | 63% | 0.631 | S | S | * | * | -161.2 | 159.8 | 64.8 | -111.1 | -29.6 | 0 | 0 | 0 | 114.6 | N1836 | N1836-N1838 PolarHBondContact O-N 3.32Š| |||
| 1839 | S | 23 | Very low | 22.8 | Very low | 85 Ų | 85 | 119.3 Ų | 119.3 | 59% | 0.594 | 64% | 0.641 | S | S | * | * | trans | 53.7 | 112.1 | 143.5 | 70.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1840 | N | 24.4 | Very low | 23.1 | Very low | 120 Ų | 120 | 122.8 Ų | 122.8 | 64% | 0.642 | 65% | 0.647 | S | S | * | * | 80.2 | 110.3 | 118.5 | -67.5 | 30.5 | 0 | 0 | 0 | 119.9 | |||||
| 1841 | N | 23 | Very low | 23.1 | Very low | 52 Ų | 52 | 123 Ų | 123 | 28% | 0.278 | 65% | 0.646 | S | S | . | * | 84.6 | 145.1 | 120.2 | -63.6 | 69 | 0 | 0 | 0 | 115.4 | F1261 D1262 | F1261-N1841 HydrophobicContact CD1-CB 4.36Å; D1262-N1841 HydrophobicContact CB-CB 4.41Å; D1262-N1841 PolarHBondContact N-ND2 3.24Å; D1262-N1841 VanDerWaalsContact N-ND2 3.16Å; D1262-N1841 CarbonylContact O-C 3.54Å; D1262-N1841 VanDerWaalsContact O-CA 3.26Å; D1262-N1841 WeakPolarHBondContact O-CA 3.05Å; D1262-N1841 WeakPolarHBondContact O-CB 3.37Å; D1262-N1841 PolarHBondContact OD1-ND2 2.94Å; D1262-N1841 WeakPolarHBondContact OD2-CB 3.3Å; D1262-N1841 PolarHBondContact OD2-ND2 2.03Å | |||
| 1842 | F | 23.4 | Very low | 23.4 | Very low | 123 Ų | 123 | 123.3 Ų | 123.3 | 54% | 0.539 | 65% | 0.647 | S | S | . | * | trans | 37 | 124.5 | -165.5 | -100.9 | -42.1 | 0 | 0 | 0 | 123.4 | F1261 D1262 | F1261-F1842 VanDerWaalsContact O-CA 3.26Å; F1261-F1842 WeakPolarHBondContact O-CA 3.4Å; F1261-F1842 WeakPolarHBondContact O-CD1 3.43Å; F1261-F1842 VanDerWaalsContact O-CE1 3.23Å; F1261-F1842 WeakPolarHBondContact O-CE1 3.04Å; F1261-F1842 WeakPolarHBondContact O-CG 3.4Å; F1261-F1842 PolarHBondContact O-N 2.03Å; D1262-F1842 VanDerWaalsContact C-CD2 3.41Å; D1262-F1842 VanDerWaalsContact CA-CD2 3.48Å; D1262-F1842 HydrophobicContact CB-CD2 4.47Å; D1262-F1842 WeakPolarHBondContact O-CB 3.2Å; D1262-F1842 PolarHBondContact O-N 2.7Å | ||
| 1843 | Q | 22.2 | Very low | 23.7 | Very low | 88 Ų | 88 | 127 Ų | 127 | 41% | 0.411 | 66% | 0.66 | S | S | . | * | trans | -14.4 | 149.4 | 141.3 | -162.4 | -172.3 | 13.1 | 0 | 0 | 119 | E1258 C1259 | E1258-Q1843 PolarHBondContact O-NE2 3.44Å; C1259-Q1843 HydrophobicContact CB-CB 4.1Å; C1259-Q1843 HydrophobicContact CB-CG 3.78Å; C1259-Q1843 VanDerWaalsContact SG-CD 3.51Å; C1259-Q1843 PolarHBondContact SG-NE2 3.25Å | ||
| 1844 | T | 22.8 | Very low | 24.1 | Very low | 104 Ų | 104 | 125 Ų | 125 | 64% | 0.638 | 66% | 0.657 | S | S | * | * | trans | 74.4 | 131.9 | 152.7 | 33.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1845 | M | 22.9 | Very low | 24.2 | Very low | 138 Ų | 138 | 128.3 Ų | 128.3 | 68% | 0.68 | 67% | 0.667 | S | S | * | * | trans | 69.1 | 104.1 | 138.4 | -73.2 | 169.9 | 59.1 | 0 | 0 | 121.1 | E1847 | M1845-E1847 HydrophobicContact CB-CG 4.33Å; M1845-E1847 HydrophobicContact CE-CG 3.94Å; M1845-E1847 VanDerWaalsContact CE-OE1 3.24Å; M1845-E1847 WeakPolarHBondContact CE-OE1 3.42Å | ||
| 1846 | Q | 25.8 | Very low | 24.3 | Very low | 182 Ų | 182 | 123.9 Ų | 123.9 | 85% | 0.85 | 66% | 0.655 | S | S | * | * | -141.1 | 104.1 | 122.5 | -149.9 | 164.1 | 46.5 | 0 | 0 | 107.7 | |||||
| 1847 | E | 23.4 | Very low | 24.2 | Very low | 132 Ų | 132 | 126.4 Ų | 126.4 | 62% | 0.617 | 66% | 0.663 | S | S | * | * | 63.5 | 145.3 | 68.6 | -65.1 | -166 | 141.6 | 0 | 0 | 113.2 | M1845 | M1845-E1847 HydrophobicContact CB-CG 4.33Å; M1845-E1847 HydrophobicContact CE-CG 3.94Å; M1845-E1847 VanDerWaalsContact CE-OE1 3.24Å; M1845-E1847 WeakPolarHBondContact CE-OE1 3.42Å | |||
| 1848 | L | 22.4 | Very low | 24.2 | Very low | 124 Ų | 124 | 124 Ų | 124 | 65% | 0.649 | 66% | 0.656 | S | S | * | * | cis | 179.4 | 83.4 | -19.5 | -177.7 | 77.4 | 0 | 0 | 0 | 103.4 | ||||
| 1849 | C | 23.5 | Very low | 24.2 | Very low | 113 Ų | 113 | 124.5 Ų | 124.5 | 76% | 0.764 | 65% | 0.654 | S | S | * | * | trans | -136.1 | 128.7 | 174.6 | -81.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1850 | Q | 27.8 | Very low | 24.4 | Very low | 167 Ų | 167 | 126.6 Ų | 126.6 | 78% | 0.78 | 66% | 0.658 | S | S | * | * | cis | -160.4 | 102.6 | -12.4 | -125 | 158.6 | 31.3 | 0 | 0 | 104.8 | ||||
| 1851 | F | 23.4 | Very low | 24.5 | Very low | 152 Ų | 152 | 127 Ų | 127 | 67% | 0.667 | 66% | 0.66 | S | S | * | * | 54.7 | 77 | 82.1 | -153.4 | -77.6 | 0 | 0 | 0 | 113.4 | |||||
| 1852 | L | 27 | Very low | 24.5 | Very low | 152 Ų | 152 | 129.1 Ų | 129.1 | 80% | 0.796 | 68% | 0.679 | S | S | * | * | trans | -170.3 | 91.7 | 154.7 | -110.2 | 169.3 | 0 | 0 | 0 | 111.9 | ||||
| 1853 | N | 28.4 | Very low | 24.7 | Very low | 158 Ų | 158 | 131.6 Ų | 131.6 | 85% | 0.845 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 152.3 | 94.4 | 152.5 | -81.9 | -17.4 | 0 | 0 | 0 | 111.4 | ||
| 1854 | S | 28 | Very low | 24.8 | Very low | 94 Ų | 94 | 133.1 Ų | 133.1 | 66% | 0.657 | 70% | 0.697 | S | S | * | * | cis | -167.2 | 116.9 | -21.8 | 44.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1855 | I | 25 | Very low | 24.9 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 78% | 0.779 | 71% | 0.708 | S | S | * | * | trans | 68.4 | 126.8 | 158.8 | -56.1 | 172.7 | 0 | 0 | 0 | 116.7 | ||||
| 1856 | T | 25.3 | Very low | 25.1 | Very low | 89 Ų | 89 | 137.9 Ų | 137.9 | 55% | 0.546 | 71% | 0.71 | S | S | . | * | cis | -168.1 | 140.8 | -24.6 | 33.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1857 | Q | 21.5 | Very low | 25.2 | Very low | 167 Ų | 167 | 134.2 Ų | 134.2 | 78% | 0.78 | 70% | 0.696 | S | S | * | * | trans | 49.6 | 148 | 137.1 | -65.6 | 175.5 | -82 | 0 | 0 | 122.1 | ||||
| 1858 | S | 23.2 | Very low | 25.4 | Very low | 76 Ų | 76 | 134.9 Ų | 134.9 | 53% | 0.531 | 70% | 0.703 | S | S | . | * | cis | -166.9 | 178.4 | -14.6 | 49.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 1859 | E | 23 | Very low | 25.5 | Very low | 146 Ų | 146 | 135.8 Ų | 135.8 | 68% | 0.682 | 70% | 0.701 | S | S | * | * | trans | 58.4 | 61.9 | 153 | -69.3 | 144.7 | -103.6 | 0 | 0 | 118 | ||||
| 1860 | L | 25.6 | Very low | 25.7 | Very low | 129 Ų | 129 | 134 Ų | 134 | 68% | 0.675 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -175.2 | 160.9 | 132.4 | -122.4 | 66.7 | 0 | 0 | 0 | 110.3 | ||
| 1861 | N | 27.4 | Very low | 25.7 | Very low | 128 Ų | 128 | 132 Ų | 132 | 68% | 0.684 | 68% | 0.68 | S | S | * | * | trans | 70.2 | 43.9 | 176.9 | -53.4 | -83.6 | 0 | 0 | 0 | 117.3 | ||||
| 1862 | S | 22.7 | Very low | 25.9 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 69% | 0.685 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -70.9 | 167.5 | 141.1 | -70.9 | 0 | 0 | 0 | 0 | 109.8 | Q1864 | S1862-Q1864 PolarHBondContact O-N 2.71Š|
| 1863 | F | 27.2 | Very low | 25.8 | Very low | 174 Ų | 174 | 129.7 Ų | 129.7 | 76% | 0.763 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 57.8 | -28 | 171.6 | -92.2 | -94 | 0 | 0 | 0 | 120.7 | K1865 | F1863-K1865 VanDerWaalsContact C-N 3.31Å; F1863-K1865 PolarHBondContact O-N 2.69Å; F1863-K1865 VanDerWaalsContact O-N 3.12Å |
| 1864 | Q | 24.3 | Very low | 25.7 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 57% | 0.565 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 18.4 | -171.7 | -119.8 | -174.9 | 26.1 | 0 | 0 | 116.6 | S1862 | S1862-Q1864 PolarHBondContact O-N 2.71Š|
| 1865 | K | 26.3 | Very low | 25.6 | Very low | 202 Ų | 202 | 137.5 Ų | 137.5 | 88% | 0.878 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.8 | 8.5 | 176.8 | -108.3 | 168.2 | -171.6 | 163.2 | 0 | 116.8 | F1863 | F1863-K1865 VanDerWaalsContact C-N 3.31Å; F1863-K1865 PolarHBondContact O-N 2.69Å; F1863-K1865 VanDerWaalsContact O-N 3.12Å |
| 1866 | I | 27 | Very low | 25.5 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 72% | 0.718 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.5 | -28.2 | 169.8 | -67.2 | 179.7 | 0 | 0 | 0 | 111.2 | L1868 | I1866-L1868 VanDerWaalsContact C-N 3.35Å; I1866-L1868 PolarHBondContact O-N 3.37Å |
| 1867 | L | 27 | Very low | 25.6 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 55% | 0.545 | 70% | 0.697 | S | S | . | * | G | 310 helix | trans | -68.2 | -30.9 | 177 | -158.1 | 66.3 | 0 | 0 | 0 | 113.3 | K1869 T1870 I1871 | L1867-K1869 PolarHBondContact O-N 3.28Å; L1867-T1870 PolarHBondContact O-N 3.03Å; L1867-I1871 HydrophobicContact CG-CD1 4.09Å |
| 1868 | L | 28 | Very low | 25.7 | Very low | 147 Ų | 147 | 131 Ų | 131 | 77% | 0.77 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -75.7 | 22.4 | 179.4 | -154.2 | 75.5 | 0 | 0 | 0 | 114.3 | I1866 | I1866-L1868 VanDerWaalsContact C-N 3.35Å; I1866-L1868 PolarHBondContact O-N 3.37Å |
| 1869 | K | 24.1 | Very low | 25.7 | Very low | 142 Ų | 142 | 134 Ų | 134 | 62% | 0.617 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -138.6 | -10.7 | 174.3 | -163.7 | 163 | -178 | 179.9 | 0 | 114.8 | L1867 | L1867-K1869 PolarHBondContact O-N 3.28Š|
| 1870 | T | 28 | Very low | 25.9 | Very low | 77 Ų | 77 | 132 Ų | 132 | 47% | 0.472 | 70% | 0.699 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.5 | -19.9 | 175.7 | -24.5 | 0 | 0 | 0 | 0 | 112.8 | L1867 L1872 | L1867-T1870 PolarHBondContact O-N 3.03Å; T1870-L1872 VanDerWaalsContact C-N 3.3Å |
| 1871 | I | 28.3 | Very low | 25.9 | Very low | 123 Ų | 123 | 130 Ų | 130 | 63% | 0.631 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -16.7 | 176.6 | -65.3 | 173 | 0 | 0 | 0 | 111.9 | L1867 | L1867-I1871 HydrophobicContact CG-CD1 4.09Š|
| 1872 | L | 26.3 | Very low | 25.9 | Very low | 142 Ų | 142 | 130.6 Ų | 130.6 | 74% | 0.743 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | 1.8 | -179.6 | -79.7 | 166.8 | 0 | 0 | 0 | 114.9 | T1870 | T1870-L1872 VanDerWaalsContact C-N 3.3Š|
| 1873 | D | 25.2 | Very low | 26.1 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 61% | 0.61 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -113.7 | 7.4 | 179.4 | -81.6 | -24 | 0 | 0 | 0 | 112.8 | ||
| 1874 | Y | 26 | Very low | 26.1 | Very low | 184 Ų | 184 | 125.7 Ų | 125.7 | 72% | 0.722 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -107.5 | -6.5 | -173.9 | -124.5 | -81.5 | 0 | 0 | 0 | 116.3 | ||
| 1875 | Y | 26.4 | Very low | 26.3 | Very low | 232 Ų | 232 | 122 Ų | 122 | 91% | 0.91 | 65% | 0.648 | S | S | * | * | trans | -118.4 | 106.3 | 168.6 | -85.9 | -82.4 | 0 | 0 | 0 | 109.4 | ||||
| 1876 | G | 23.6 | Very low | 26.4 | Very low | 77 Ų | 77 | 116.1 Ų | 116.1 | 79% | 0.794 | 62% | 0.62 | S | S | * | * | trans | -146.5 | 16 | -162.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1877 | S | 25.6 | Very low | 26.6 | Very low | 124 Ų | 124 | 111 Ų | 111 | 87% | 0.867 | 59% | 0.593 | S | S | * | * | trans | -175.7 | 136.2 | 165.5 | 46.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1878 | G | 25.4 | Very low | 26.9 | Very low | 71 Ų | 71 | 113.3 Ų | 113.3 | 73% | 0.732 | 60% | 0.595 | S | S | * | * | cis | 152.1 | 92.9 | -14 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1879 | D | 22.6 | Very low | 27.1 | Very low | 139 Ų | 139 | 111.4 Ų | 111.4 | 74% | 0.743 | 58% | 0.578 | S | S | * | * | trans | -172.5 | 107.2 | 146.4 | -102.3 | -17.6 | 0 | 0 | 0 | 108.5 | ||||
| 1880 | L | 26.2 | Very low | 27.3 | Very low | 104 Ų | 104 | 107.8 Ų | 107.8 | 55% | 0.545 | 56% | 0.563 | S | S | . | * | trans | -154.8 | 80.1 | 178.6 | -140 | -177.7 | 0 | 0 | 0 | 111.6 | T690 | T690-L1880 HydrophobicContact CG2-CD2 4.49Å; T690-L1880 PolarHBondContact OG1-O 3.35Å | ||
| 1881 | L | 27.1 | Very low | 27.5 | Very low | 88 Ų | 88 | 106.9 Ų | 106.9 | 46% | 0.461 | 55% | 0.554 | S | S | . | * | trans | -145.9 | 88.7 | -167.4 | -54.7 | 166.2 | 0 | 0 | 0 | 112.3 | C688 T689 T690 | C688-L1881 HydrophobicContact CB-CB 4.21Å; C688-L1881 HydrophobicContact CB-CD1 3.45Å; C688-L1881 VanDerWaalsContact CB-CD1 3.45Å; C688-L1881 HydrophobicContact CB-CG 4.3Å; T689-L1881 VanDerWaalsContact CB-O 3.3Å; T689-L1881 WeakPolarHBondContact CB-O 3.21Å; T689-L1881 VanDerWaalsContact O-CD2 3.31Å; T689-L1881 WeakPolarHBondContact O-CD2 3.48Å; T689-L1881 VanDerWaalsContact OG1-CB 3.25Å; T689-L1881 WeakPolarHBondContact OG1-CB 3.38Å; T689-L1881 PolarHBondContact OG1-O 3.2Å; T690-L1881 WeakPolarHBondContact OG1-CA 3.03Å; T690-L1881 WeakPolarHBondContact OG1-CD2 3.4Å | ||
| 1882 | E | 25.5 | Very low | 27.9 | Very low | 140 Ų | 140 | 107.1 Ų | 107.1 | 65% | 0.654 | 55% | 0.55 | S | S | * | * | trans | -174.4 | 118.8 | 141.4 | -174 | 80.4 | -82.3 | 0 | 0 | 116.1 | T689 | T689-E1882 WeakPolarHBondContact CB-OE1 3.42Å; T689-E1882 WeakPolarHBondContact CG2-OE1 3.48Å; T689-E1882 VanDerWaalsContact CG2-OE2 3.28Å; T689-E1882 WeakPolarHBondContact CG2-OE2 3.49Å | ||
| 1883 | M | 26.9 | Very low | 28.2 | Very low | 60 Ų | 60 | 104.9 Ų | 104.9 | 30% | 0.296 | 54% | 0.536 | S | S | . | . | trans | -174.9 | 174 | 173.2 | -32.6 | 149 | 152.1 | 0 | 0 | 111.7 | T690 N691 L692 E1887 | T690-M1883 CarbonylContact C-O 3.35Å; T690-M1883 HydrophobicContact CG2-CG 3.75Å; T690-M1883 HydrophobicContact CG2-SD 3.74Å; N691-M1883 PolarHBondContact N-O 2.75Å; N691-M1883 VanDerWaalsContact N-O 3.13Å; L692-M1883 HydrophobicContact CB-CB 3.57Å; L692-M1883 HydrophobicContact CB-CG 3.97Å; L692-M1883 HydrophobicContact CB-SD 3.76Å; L692-M1883 HydrophobicContact CD1-CB 4.27Å; L692-M1883 HydrophobicContact CD1-CE 4.25Å; L692-M1883 HydrophobicContact CD1-CG 4.1Å; L692-M1883 HydrophobicContact CD1-SD 4.36Å; L692-M1883 HydrophobicContact CG-CB 3.93Å; L692-M1883 HydrophobicContact CG-CG 4.3Å; M1883-E1887 VanDerWaalsContact SD-OE2 3.37Å | ||
| 1884 | N | 28.1 | Very low | 28.5 | Very low | 108 Ų | 108 | 101.8 Ų | 101.8 | 58% | 0.578 | 52% | 0.518 | S | S | * | . | trans | -96.3 | -80 | -165.1 | -172 | -27.2 | 0 | 0 | 0 | 123.7 | N691 L692 C693 | N691-N1884 WeakPolarHBondContact CB-O 3.24Å; N691-N1884 PolarHBondContact ND2-O 3.45Å; N691-N1884 CarbonylContact O-C 3.53Å; L692-N1884 VanDerWaalsContact CA-N 3.26Å; C693-N1884 HydrophobicContact CB-CB 3.67Å; C693-N1884 WeakPolarHBondContact CB-OD1 3.34Å | ||
| 1885 | S | 27.9 | Very low | 28.9 | Very low | 45 Ų | 45 | 98.1 Ų | 98.1 | 32% | 0.315 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -168.2 | 2.4 | -174.6 | 51.8 | 0 | 0 | 0 | 0 | 125 | N691 C693 K1047 | N691-S1885 WeakPolarHBondContact ND2-CA 3.42Å; N691-S1885 CarbonylContact O-C 3.3Å; N691-S1885 WeakPolarHBondContact O-CA 3.35Å; N691-S1885 PolarHBondContact O-N 2.91Å; C693-S1885 WeakPolarHBondContact CB-OG 3.42Å; C693-S1885 VanDerWaalsContact SG-C 3.52Å; C693-S1885 PolarHBondContact SG-OG 2.85Å; K1047-S1885 PolarHBondContact NZ-O 3.43Å |
| 1886 | Y | 29.6 | Very low | 29.4 | Very low | 78 Ų | 78 | 95.3 Ų | 95.3 | 31% | 0.306 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -98.2 | -35.4 | -173.5 | -174.4 | -85.1 | 0 | 0 | 0 | 115.3 | L692 C693 L694 R1888 Y1889 Q1890 | L692-Y1886 CarbonylContact O-C 3.53Å; L692-Y1886 VanDerWaalsContact O-CA 3.31Å; L692-Y1886 WeakPolarHBondContact O-CA 3.42Å; L692-Y1886 WeakPolarHBondContact O-CB 3.46Å; L692-Y1886 PolarHBondContact O-N 2.87Å; C693-Y1886 VanDerWaalsContact CA-CB 3.48Å; C693-Y1886 VanDerWaalsContact SG-CB 3.6Å; C693-Y1886 PolarHBondContact SG-N 2.94Å; L694-Y1886 HydrophobicContact CB-CD1 3.93Å; L694-Y1886 HydrophobicContact CB-CD2 4.2Å; L694-Y1886 HydrophobicContact CB-CE1 3.91Å; L694-Y1886 HydrophobicContact CB-CE2 4.21Å; L694-Y1886 HydrophobicContact CB-CG 4.05Å; L694-Y1886 HydrophobicContact CD1-CD1 3.47Å; L694-Y1886 VanDerWaalsContact CD1-CD1 3.47Å; L694-Y1886 HydrophobicContact CD1-CE1 3.88Å; L694-Y1886 HydrophobicContact CD1-CG 4.1Å; L694-Y1886 HydrophobicContact CG-CD1 4.3Å; L694-Y1886 HydrophobicContact CG-CE1 4.41Å; L694-Y1886 VanDerWaalsContact O-CD2 3.24Å; L694-Y1886 WeakPolarHBondContact O-CD2 3.35Å; Y1886-R1888 PolarHBondContact O-N 3.11Å; Y1886-R1888 VanDerWaalsContact O-N 3.11Å; Y1886-Y1889 WeakPolarHBondContact O-CA 3.03Å; Y1886-Y1889 VanDerWaalsContact O-CB 3.24Å; Y1886-Y1889 WeakPolarHBondContact O-CB 3.38Å; Y1886-Y1889 PolarHBondContact O-N 3.28Å; Y1886-Q1890 HydrophobicContact CD1-CG 4.22Å; Y1886-Q1890 HydrophobicContact CE1-CG 3.93Å |
| 1887 | E | 30.8 | Very low | 30 | Very low | 32 Ų | 32 | 95.3 Ų | 95.3 | 15% | 0.15 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -52.8 | -37 | -177.9 | -73.5 | 169.2 | 148.4 | 0 | 0 | 112.6 | L692 M1883 Y1889 Q1890 Q1891 N1928 | L692-E1887 HydrophobicContact CB-CG 3.79Å; L692-E1887 WeakPolarHBondContact CB-OE1 3.15Å; L692-E1887 VanDerWaalsContact CB-OE2 3.27Å; L692-E1887 WeakPolarHBondContact CB-OE2 3.17Å; L692-E1887 PolarHBondContact N-OE2 3.31Å; L692-E1887 PolarHBondContact O-N 3.47Å; M1883-E1887 VanDerWaalsContact SD-OE2 3.37Å; E1887-Y1889 PolarHBondContact O-N 3.08Å; E1887-Q1890 PolarHBondContact O-N 3.21Å; E1887-Q1891 WeakPolarHBondContact O-CB 3.23Å; E1887-Q1891 PolarHBondContact O-N 3.01Å; E1887-N1928 PolarHBondContact OE1-ND2 3.33Å |
| 1888 | R | 33.3 | Very low | 30.3 | Very low | 152 Ų | 152 | 90.2 Ų | 90.2 | 57% | 0.574 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -62.1 | -5 | 173 | -67.4 | -171.5 | -180 | 176.4 | 8.3 | 115 | N691 Y1886 K1892 | N691-R1888 WeakPolarHBondContact OD1-CD 3.05Å; N691-R1888 VanDerWaalsContact OD1-CZ 3.28Å; N691-R1888 PolarHBondContact OD1-NE 2.87Å; Y1886-R1888 PolarHBondContact O-N 3.11Å; Y1886-R1888 VanDerWaalsContact O-N 3.11Å; R1888-K1892 WeakPolarHBondContact O-CG 3.2Å |
| 1889 | Y | 32.4 | Very low | 30.9 | Very low | 108 Ų | 108 | 90.5 Ų | 90.5 | 42% | 0.424 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -95.2 | -46.3 | 167.2 | -166.3 | -90.7 | 0 | 0 | 0 | 111.1 | Y1886 E1887 K1892 Q1893 | Y1886-Y1889 WeakPolarHBondContact O-CA 3.03Å; Y1886-Y1889 VanDerWaalsContact O-CB 3.24Å; Y1886-Y1889 WeakPolarHBondContact O-CB 3.38Å; Y1886-Y1889 PolarHBondContact O-N 3.28Å; E1887-Y1889 PolarHBondContact O-N 3.08Å; Y1889-K1892 PolarHBondContact O-N 3.01Å; Y1889-K1892 VanDerWaalsContact O-N 3.15Å; Y1889-Q1893 HydrophobicContact CE1-CG 4.41Å; Y1889-Q1893 PolarHBondContact O-N 3.26Å; Y1889-Q1893 VanDerWaalsContact O-N 3.15Å |
| 1890 | Q | 28.5 | Very low | 31.4 | Very low | 65 Ų | 65 | 87.3 Ų | 87.3 | 30% | 0.304 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.1 | -46.7 | 174.2 | -72.4 | -149 | 6.2 | 0 | 0 | 112 | Y1886 E1887 K1892 Q1893 Q1894 | Y1886-Q1890 HydrophobicContact CD1-CG 4.22Å; Y1886-Q1890 HydrophobicContact CE1-CG 3.93Å; E1887-Q1890 PolarHBondContact O-N 3.21Å; Q1890-K1892 PolarHBondContact O-N 2.95Å; Q1890-K1892 VanDerWaalsContact O-N 3.09Å; Q1890-Q1893 CarbonylContact O-C 3.52Å; Q1890-Q1893 WeakPolarHBondContact O-CA 3.24Å; Q1890-Q1893 WeakPolarHBondContact O-CB 3.31Å; Q1890-Q1893 PolarHBondContact O-N 3.29Å; Q1890-Q1894 PolarHBondContact O-N 2.86Å; Q1890-Q1894 PolarHBondContact O-OE1 2.86Å |
| 1891 | Q | 32.3 | Very low | 31.7 | Very low | 58 Ų | 58 | 84.5 Ų | 84.5 | 27% | 0.271 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -56.2 | -29.8 | 174 | -74.5 | -175.3 | -16.3 | 0 | 0 | 112.7 | E1887 Q1894 Q1895 | E1887-Q1891 WeakPolarHBondContact O-CB 3.23Å; E1887-Q1891 PolarHBondContact O-N 3.01Å; Q1891-Q1894 VanDerWaalsContact CA-OE1 3.24Å; Q1891-Q1894 VanDerWaalsContact N-OE1 3.15Å; Q1891-Q1895 WeakPolarHBondContact O-CB 3.02Å; Q1891-Q1895 WeakPolarHBondContact O-CG 3.12Å; Q1891-Q1895 PolarHBondContact O-N 3.32Å |
| 1892 | K | 36.3 | Very low | 31.9 | Very low | 128 Ų | 128 | 83.5 Ų | 83.5 | 56% | 0.557 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -78.8 | -23.1 | 174.7 | -78.1 | -173.8 | 175.2 | -174.8 | 0 | 113.9 | R1888 Y1889 Q1890 R1896 | R1888-K1892 WeakPolarHBondContact O-CG 3.2Å; Y1889-K1892 PolarHBondContact O-N 3.01Å; Y1889-K1892 VanDerWaalsContact O-N 3.15Å; Q1890-K1892 PolarHBondContact O-N 2.95Å; Q1890-K1892 VanDerWaalsContact O-N 3.09Å; K1892-R1896 WeakPolarHBondContact O-CB 3.16Å; K1892-R1896 WeakPolarHBondContact O-CG 3.15Å; K1892-R1896 PolarHBondContact O-N 3.21Å |
| 1893 | Q | 33.3 | Very low | 32.1 | Very low | 96 Ų | 96 | 87.4 Ų | 87.4 | 45% | 0.449 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -78.4 | -45.1 | 167.4 | -65.9 | -74.4 | 12.8 | 0 | 0 | 110.8 | Y1889 Q1890 R1896 L1897 | Y1889-Q1893 HydrophobicContact CE1-CG 4.41Å; Y1889-Q1893 PolarHBondContact O-N 3.26Å; Y1889-Q1893 VanDerWaalsContact O-N 3.15Å; Q1890-Q1893 CarbonylContact O-C 3.52Å; Q1890-Q1893 WeakPolarHBondContact O-CA 3.24Å; Q1890-Q1893 WeakPolarHBondContact O-CB 3.31Å; Q1890-Q1893 PolarHBondContact O-N 3.29Å; Q1893-R1896 WeakPolarHBondContact O-CA 3.27Å; Q1893-R1896 WeakPolarHBondContact O-CB 3.49Å; Q1893-R1896 PolarHBondContact O-N 2.86Å; Q1893-R1896 VanDerWaalsContact O-N 3.09Å; Q1893-L1897 PolarHBondContact O-N 2.94Å |
| 1894 | Q | 30.4 | Very low | 32.1 | Very low | 49 Ų | 49 | 88.5 Ų | 88.5 | 23% | 0.229 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62 | -46.8 | 177 | -70.7 | 156.3 | -43.1 | 0 | 0 | 111.9 | Q1890 Q1891 R1896 L1897 C1898 L1925 | Q1890-Q1894 PolarHBondContact O-N 2.86Å; Q1890-Q1894 PolarHBondContact O-OE1 2.86Å; Q1891-Q1894 VanDerWaalsContact CA-OE1 3.24Å; Q1891-Q1894 VanDerWaalsContact N-OE1 3.15Å; Q1894-R1896 PolarHBondContact O-N 3.25Å; Q1894-L1897 WeakPolarHBondContact O-CB 3.1Å; Q1894-L1897 PolarHBondContact O-N 2.89Å; Q1894-C1898 PolarHBondContact O-N 3.31Å; Q1894-L1925 WeakPolarHBondContact CB-O 3.02Å |
| 1895 | Q | 34.9 | Very low | 32.1 | Very low | 106 Ų | 106 | 89.4 Ų | 89.4 | 50% | 0.495 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.3 | -31.2 | 172.2 | -76.7 | -179.7 | -5.5 | 0 | 0 | 112.6 | Q1891 T1899 T1926 | Q1891-Q1895 WeakPolarHBondContact O-CB 3.02Å; Q1891-Q1895 WeakPolarHBondContact O-CG 3.12Å; Q1891-Q1895 PolarHBondContact O-N 3.32Å; Q1895-T1899 WeakPolarHBondContact O-CB 3.46Å; Q1895-T1899 WeakPolarHBondContact O-CG2 3.38Å; Q1895-T1899 PolarHBondContact O-N 3.33Å; Q1895-T1899 PolarHBondContact O-OG1 3.16Å; Q1895-T1926 HydrophobicContact CG-CG2 4.34Å |
| 1896 | R | 37 | Very low | 32 | Very low | 173 Ų | 173 | 94.2 Ų | 94.2 | 65% | 0.653 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -69.1 | -37.3 | 172 | -86.1 | 179.9 | 168.5 | -168.5 | -2.7 | 112.2 | K1892 Q1893 Q1894 T1899 T1900 | K1892-R1896 WeakPolarHBondContact O-CB 3.16Å; K1892-R1896 WeakPolarHBondContact O-CG 3.15Å; K1892-R1896 PolarHBondContact O-N 3.21Å; Q1893-R1896 WeakPolarHBondContact O-CA 3.27Å; Q1893-R1896 WeakPolarHBondContact O-CB 3.49Å; Q1893-R1896 PolarHBondContact O-N 2.86Å; Q1893-R1896 VanDerWaalsContact O-N 3.09Å; Q1894-R1896 PolarHBondContact O-N 3.25Å; R1896-T1899 PolarHBondContact O-OG1 3.46Å; R1896-T1900 WeakPolarHBondContact O-CB 3.37Å; R1896-T1900 PolarHBondContact O-N 3.14Å; R1896-T1900 PolarHBondContact O-OG1 2.81Å |
| 1897 | L | 35.5 | Very low | 31.8 | Very low | 78 Ų | 78 | 97 Ų | 97 | 41% | 0.408 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.9 | -54.7 | 172.6 | -116.8 | 71.3 | 0 | 0 | 0 | 111.2 | Q1893 Q1894 T1899 T1900 F1901 | Q1893-L1897 PolarHBondContact O-N 2.94Å; Q1894-L1897 WeakPolarHBondContact O-CB 3.1Å; Q1894-L1897 PolarHBondContact O-N 2.89Å; L1897-T1899 VanDerWaalsContact C-N 3.35Å; L1897-T1899 PolarHBondContact O-N 3.18Å; L1897-T1900 PolarHBondContact O-N 2.82Å; L1897-F1901 PolarHBondContact O-N 3.46Å |
| 1898 | C | 32.5 | Very low | 31.6 | Very low | 17 Ų | 17 | 98 Ų | 98 | 12% | 0.115 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -58.6 | -41.8 | 178.3 | -83.2 | 0 | 0 | 0 | 0 | 112.5 | Q1894 T1900 A1902 C1922 | Q1894-C1898 PolarHBondContact O-N 3.31Å; C1898-T1900 VanDerWaalsContact C-N 3.28Å; C1898-T1900 PolarHBondContact O-N 2.94Å; C1898-A1902 WeakPolarHBondContact O-CB 3.37Å; C1898-A1902 PolarHBondContact O-N 3Å; C1898-C1922 HydrophobicContact CB-CB 4.12Å; C1898-C1922 WeakPolarHBondContact CB-SG 3.17Å; C1898-C1922 VanDerWaalsContact SG-CA 3.54Å; C1898-C1922 WeakPolarHBondContact SG-CB 3.39Å; C1898-C1922 CovalentContact SG-SG 2.05Å; C1898-C1922 PolarHBondContact SG-SG 3.4Å |
| 1899 | T | 37.3 | Very low | 31.2 | Very low | 77 Ų | 77 | 96.3 Ų | 96.3 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -75.5 | -11.5 | 176.6 | 55.8 | 0 | 0 | 0 | 0 | 114.7 | Q1895 R1896 L1897 R1903 | Q1895-T1899 WeakPolarHBondContact O-CB 3.46Å; Q1895-T1899 WeakPolarHBondContact O-CG2 3.38Å; Q1895-T1899 PolarHBondContact O-N 3.33Å; Q1895-T1899 PolarHBondContact O-OG1 3.16Å; R1896-T1899 PolarHBondContact O-OG1 3.46Å; L1897-T1899 VanDerWaalsContact C-N 3.35Å; L1897-T1899 PolarHBondContact O-N 3.18Å; T1899-R1903 WeakPolarHBondContact O-CD 2.93Å; T1899-R1903 WeakPolarHBondContact O-CG 3.19Å |
| 1900 | T | 34.7 | Very low | 30.8 | Very low | 71 Ų | 71 | 95.4 Ų | 95.4 | 44% | 0.436 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -86.3 | -45.4 | 170.3 | -57.3 | 0 | 0 | 0 | 0 | 110.7 | R1896 L1897 C1898 R1903 | R1896-T1900 WeakPolarHBondContact O-CB 3.37Å; R1896-T1900 PolarHBondContact O-N 3.14Å; R1896-T1900 PolarHBondContact O-OG1 2.81Å; L1897-T1900 PolarHBondContact O-N 2.82Å; C1898-T1900 VanDerWaalsContact C-N 3.28Å; C1898-T1900 PolarHBondContact O-N 2.94Å; T1900-R1903 PolarHBondContact O-N 3.05Å; T1900-R1903 VanDerWaalsContact O-N 3.08Å |
| 1901 | F | 31 | Very low | 30.7 | Very low | 45 Ų | 45 | 94.4 Ų | 94.4 | 20% | 0.197 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 172.9 | -92.1 | -103.7 | 0 | 0 | 0 | 112.8 | L1897 R1903 S1904 F1918 S1954 H1956 | L1897-F1901 PolarHBondContact O-N 3.46Å; F1901-R1903 PolarHBondContact O-N 2.94Å; F1901-S1904 PolarHBondContact O-N 2.93Å; F1901-S1904 PolarHBondContact O-OG 3.1Å; F1901-S1904 VanDerWaalsContact O-OG 3.12Å; F1901-F1918 HydrophobicContact CB-CZ 4.16Å; F1901-S1954 VanDerWaalsContact CZ-CB 3.43Å; F1901-H1956 HydrophobicContact CE2-CB 4.09Å; F1901-H1956 HydrophobicContact CZ-CB 4.31Å |
| 1902 | A | 31 | Very low | 30.4 | Very low | 67 Ų | 67 | 99.2 Ų | 99.2 | 55% | 0.554 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | 2.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114 | C1898 F1918 | C1898-A1902 WeakPolarHBondContact O-CB 3.37Å; C1898-A1902 PolarHBondContact O-N 3Å; A1902-F1918 HydrophobicContact CB-CE1 4.32Å |
| 1903 | R | 30.7 | Very low | 30 | Very low | 223 Ų | 223 | 97 Ų | 97 | 84% | 0.842 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112 | 2.2 | 170.4 | -73.8 | 178.5 | 171.8 | 179 | -2.2 | 113.4 | T1899 T1900 F1901 | T1899-R1903 WeakPolarHBondContact O-CD 2.93Å; T1899-R1903 WeakPolarHBondContact O-CG 3.19Å; T1900-R1903 PolarHBondContact O-N 3.05Å; T1900-R1903 VanDerWaalsContact O-N 3.08Å; F1901-R1903 PolarHBondContact O-N 2.94Å |
| 1904 | S | 26.9 | Very low | 29.9 | Very low | 82 Ų | 82 | 93.9 Ų | 93.9 | 57% | 0.573 | 50% | 0.502 | S | S | * | . | trans | -124.3 | 65.6 | -179.7 | 63.1 | 0 | 0 | 0 | 0 | 112 | F1901 | F1901-S1904 PolarHBondContact O-N 2.93Å; F1901-S1904 PolarHBondContact O-OG 3.1Å; F1901-S1904 VanDerWaalsContact O-OG 3.12Å | ||
| 1905 | Q | 27.3 | Very low | 30 | Very low | 127 Ų | 127 | 95.8 Ų | 95.8 | 59% | 0.593 | 51% | 0.513 | S | S | * | . | trans | -127 | 135.5 | 162.3 | -77 | -164.6 | -10.3 | 0 | 0 | 111.1 | ||||
| 1906 | N | 26.4 | Very low | 29.8 | Very low | 147 Ų | 147 | 93.6 Ų | 93.6 | 79% | 0.786 | 51% | 0.509 | S | S | * | . | trans | -77 | 143.5 | 166.7 | -85.4 | -34.7 | 0 | 0 | 0 | 109.8 | A1908 | N1906-A1908 VanDerWaalsContact C-N 3.3Å; N1906-A1908 PolarHBondContact O-N 3.42Å | ||
| 1907 | P | 26.2 | Very low | 29.6 | Very low | 137 Ų | 137 | 88 Ų | 88 | 89% | 0.89 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -78.8 | 74.4 | -179.4 | 33.5 | -35.9 | 0 | 0 | 0 | 111.6 | ||
| 1908 | A | 25.2 | Very low | 29.5 | Very low | 53 Ų | 53 | 86.8 Ų | 86.8 | 44% | 0.438 | 48% | 0.484 | S | S | . | . | trans | -140.5 | 22.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | N1906 | N1906-A1908 VanDerWaalsContact C-N 3.3Å; N1906-A1908 PolarHBondContact O-N 3.42Å | ||
| 1909 | L | 26.8 | Very low | 29.6 | Very low | 115 Ų | 115 | 90.6 Ų | 90.6 | 60% | 0.602 | 50% | 0.503 | S | S | * | . | trans | -136 | 103.1 | 177.9 | -75.9 | 170.4 | 0 | 0 | 0 | 110.9 | ||||
| 1910 | N | 23 | Very low | 29.6 | Very low | 89 Ų | 89 | 90.7 Ų | 90.7 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | trans | -115.5 | 94.8 | 172.6 | -97.3 | 23.8 | 0 | 0 | 0 | 110.5 | E1257 | E1257-N1910 HydrophobicContact CG-CB 3.93Å; E1257-N1910 PolarHBondContact OE1-ND2 3.1Å | ||
| 1911 | S | 25.4 | Very low | 29.7 | Very low | 45 Ų | 45 | 90.4 Ų | 90.4 | 32% | 0.315 | 50% | 0.498 | S | S | . | . | trans | -162.5 | 139.5 | 152.3 | 52.1 | 0 | 0 | 0 | 0 | 108.5 | E1258 S1913 N1914 | E1258-S1911 WeakPolarHBondContact OE1-CB 3.42Å; S1911-S1913 PolarHBondContact O-N 3.11Å; S1911-S1913 VanDerWaalsContact O-N 3.13Å; S1911-N1914 PolarHBondContact O-ND2 3.08Å; S1911-N1914 PolarHBondContact OG-ND2 3.16Å | ||
| 1912 | E | 26.4 | Very low | 29.8 | Very low | 159 Ų | 159 | 89.5 Ų | 89.5 | 74% | 0.743 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -75.4 | -4.7 | -162.6 | -65.2 | -164.5 | 136.1 | 0 | 0 | 114.2 | N1914 | E1912-N1914 VanDerWaalsContact C-N 3.31Å; E1912-N1914 PolarHBondContact O-N 3.36Å |
| 1913 | S | 28.2 | Very low | 30.1 | Very low | 80 Ų | 80 | 91.4 Ų | 91.4 | 56% | 0.559 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -74.2 | -9.1 | 178.2 | 62 | 0 | 0 | 0 | 0 | 115.6 | S1911 S1916 | S1911-S1913 PolarHBondContact O-N 3.11Å; S1911-S1913 VanDerWaalsContact O-N 3.13Å; S1913-S1916 PolarHBondContact O-OG 2.91Å |
| 1914 | N | 30.6 | Very low | 30.5 | Very low | 32 Ų | 32 | 82.2 Ų | 82.2 | 17% | 0.171 | 46% | 0.461 | C | S | . | . | G | 310 helix | trans | -96 | 3.3 | -168.7 | -60.2 | -79.3 | 0 | 0 | 0 | 114.7 | S1911 E1912 | S1911-N1914 PolarHBondContact O-ND2 3.08Å; S1911-N1914 PolarHBondContact OG-ND2 3.16Å; E1912-N1914 VanDerWaalsContact C-N 3.31Å; E1912-N1914 PolarHBondContact O-N 3.36Å |
| 1915 | I | 33 | Very low | 31 | Very low | 88 Ų | 88 | 80.9 Ų | 80.9 | 45% | 0.451 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -98.3 | -17.1 | -175.8 | -66.2 | 178.5 | 0 | 0 | 0 | 112.2 | N1919 | I1915-N1919 WeakPolarHBondContact CG2-ND2 3.11Å; I1915-N1919 WeakPolarHBondContact O-CB 3.19Å; I1915-N1919 PolarHBondContact O-N 3.49Å; I1915-N1919 PolarHBondContact O-ND2 3.02Å |
| 1916 | S | 30.5 | Very low | 31.4 | Very low | 60 Ų | 60 | 77.1 Ų | 77.1 | 42% | 0.42 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.9 | -57.4 | 170 | 41.2 | 0 | 0 | 0 | 0 | 111.2 | S1913 F1918 N1919 I1920 | S1913-S1916 PolarHBondContact O-OG 2.91Å; S1916-F1918 PolarHBondContact O-N 3.04Å; S1916-N1919 CarbonylContact O-C 3.47Å; S1916-N1919 WeakPolarHBondContact O-CB 3.08Å; S1916-N1919 PolarHBondContact O-N 3.2Å; S1916-I1920 WeakPolarHBondContact O-CG1 3.48Å; S1916-I1920 PolarHBondContact O-N 3.39Å |
| 1917 | D | 33.1 | Very low | 31.6 | Very low | 55 Ų | 55 | 75.2 Ų | 75.2 | 29% | 0.294 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.8 | -39 | -165.5 | -60.9 | 25.9 | 0 | 0 | 0 | 111.7 | I1920 V1921 | D1917-I1920 PolarHBondContact O-N 2.8Å; D1917-V1921 WeakPolarHBondContact O-CG2 3.23Å; D1917-V1921 PolarHBondContact O-N 2.94Å; D1917-V1921 VanDerWaalsContact O-N 3.12Å |
| 1918 | F | 33.4 | Very low | 31.7 | Very low | 54 Ų | 54 | 71.8 Ų | 71.8 | 24% | 0.237 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -69.2 | -35 | 175.3 | -166.6 | -89.5 | 0 | 0 | 0 | 112.4 | F1901 A1902 S1916 C1922 M1950 | F1901-F1918 HydrophobicContact CB-CZ 4.16Å; A1902-F1918 HydrophobicContact CB-CE1 4.32Å; S1916-F1918 PolarHBondContact O-N 3.04Å; F1918-C1922 PolarHBondContact O-N 3.01Å; F1918-M1950 HydrophobicContact CD2-SD 3.89Å |
| 1919 | N | 34.6 | Very low | 31.8 | Very low | 96 Ų | 96 | 73.7 Ų | 73.7 | 51% | 0.513 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -69.3 | -40.5 | 172.4 | -81.1 | -55.6 | 0 | 0 | 0 | 111.3 | I1915 S1916 V1921 C1922 H1923 | I1915-N1919 WeakPolarHBondContact CG2-ND2 3.11Å; I1915-N1919 WeakPolarHBondContact O-CB 3.19Å; I1915-N1919 PolarHBondContact O-N 3.49Å; I1915-N1919 PolarHBondContact O-ND2 3.02Å; S1916-N1919 CarbonylContact O-C 3.47Å; S1916-N1919 WeakPolarHBondContact O-CB 3.08Å; S1916-N1919 PolarHBondContact O-N 3.2Å; N1919-V1921 PolarHBondContact O-N 2.84Å; N1919-C1922 CarbonylContact O-C 2.93Å; N1919-C1922 PolarHBondContact O-N 3.32Å; N1919-H1923 VanDerWaalsContact O-CB 3.28Å; N1919-H1923 WeakPolarHBondContact O-CB 3.5Å; N1919-H1923 PolarHBondContact O-N 3.41Å |
| 1920 | I | 37.9 | Very low | 31.9 | Very low | 80 Ų | 80 | 74.5 Ų | 74.5 | 41% | 0.41 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -55.4 | -51.1 | 176.1 | -71.4 | 164.4 | 0 | 0 | 0 | 110.3 | S1916 D1917 C1922 H1923 L1924 I1937 | S1916-I1920 WeakPolarHBondContact O-CG1 3.48Å; S1916-I1920 PolarHBondContact O-N 3.39Å; D1917-I1920 PolarHBondContact O-N 2.8Å; I1920-C1922 VanDerWaalsContact C-N 3.33Å; I1920-C1922 PolarHBondContact O-N 3.16Å; I1920-H1923 PolarHBondContact O-N 2.69Å; I1920-H1923 VanDerWaalsContact O-N 3.11Å; I1920-L1924 HydrophobicContact CG2-CD1 3.83Å; I1920-L1924 HydrophobicContact CG2-CG 4.47Å; I1920-L1924 WeakPolarHBondContact O-CD1 3.27Å; I1920-L1924 VanDerWaalsContact O-CG 3.25Å; I1920-L1924 WeakPolarHBondContact O-CG 3.38Å; I1920-L1924 PolarHBondContact O-N 3.47Å; I1920-I1937 HydrophobicContact CG2-CG2 3.81Å |
| 1921 | V | 36.2 | Very low | 32.3 | Very low | 65 Ų | 65 | 73.3 Ų | 73.3 | 39% | 0.394 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58 | -41.4 | 178.4 | 174.2 | 0 | 0 | 0 | 0 | 112.5 | D1917 N1919 L1925 | D1917-V1921 WeakPolarHBondContact O-CG2 3.23Å; D1917-V1921 PolarHBondContact O-N 2.94Å; D1917-V1921 VanDerWaalsContact O-N 3.12Å; N1919-V1921 PolarHBondContact O-N 2.84Å; V1921-L1925 HydrophobicContact CG1-CD1 4.44Å; V1921-L1925 WeakPolarHBondContact O-CG 3.25Å; V1921-L1925 PolarHBondContact O-N 2.79Å |
| 1922 | C | 34 | Very low | 32.6 | Very low | 26 Ų | 26 | 74.2 Ų | 74.2 | 18% | 0.176 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -80.9 | -18.8 | 177.1 | -80.6 | 0 | 0 | 0 | 0 | 114.7 | C1898 F1918 N1919 I1920 T1926 | C1898-C1922 HydrophobicContact CB-CB 4.12Å; C1898-C1922 WeakPolarHBondContact CB-SG 3.17Å; C1898-C1922 VanDerWaalsContact SG-CA 3.54Å; C1898-C1922 WeakPolarHBondContact SG-CB 3.39Å; C1898-C1922 CovalentContact SG-SG 2.05Å; C1898-C1922 PolarHBondContact SG-SG 3.4Å; F1918-C1922 PolarHBondContact O-N 3.01Å; N1919-C1922 CarbonylContact O-C 2.93Å; N1919-C1922 PolarHBondContact O-N 3.32Å; I1920-C1922 VanDerWaalsContact C-N 3.33Å; I1920-C1922 PolarHBondContact O-N 3.16Å; C1922-T1926 PolarHBondContact O-OG1 2.89Å |
| 1923 | H | 37 | Very low | 33.1 | Very low | 106 Ų | 106 | 69.4 Ų | 69.4 | 49% | 0.491 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -75.9 | -40 | 174.1 | -151.5 | -17.8 | 0 | 0 | 0 | 110.8 | N1919 I1920 T1926 Q1927 | N1919-H1923 VanDerWaalsContact O-CB 3.28Å; N1919-H1923 WeakPolarHBondContact O-CB 3.5Å; N1919-H1923 PolarHBondContact O-N 3.41Å; I1920-H1923 PolarHBondContact O-N 2.69Å; I1920-H1923 VanDerWaalsContact O-N 3.11Å; H1923-T1926 CarbonylContact O-C 3.5Å; H1923-T1926 PolarHBondContact O-N 2.95Å; H1923-T1926 PolarHBondContact O-OG1 3.02Å; H1923-T1926 VanDerWaalsContact O-OG1 3.08Å; H1923-Q1927 PolarHBondContact CE1-OE1 3.48Å; H1923-Q1927 PolarHBondContact ND1-OE1 3.5Å; H1923-Q1927 PolarHBondContact O-N 2.97Å |
| 1924 | L | 38.8 | Very low | 33.3 | Very low | 30 Ų | 30 | 68.6 Ų | 68.6 | 16% | 0.157 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 173.2 | -64.7 | 162.1 | 0 | 0 | 0 | 112 | I1920 T1926 M1934 I1937 | I1920-L1924 HydrophobicContact CG2-CD1 3.83Å; I1920-L1924 HydrophobicContact CG2-CG 4.47Å; I1920-L1924 WeakPolarHBondContact O-CD1 3.27Å; I1920-L1924 VanDerWaalsContact O-CG 3.25Å; I1920-L1924 WeakPolarHBondContact O-CG 3.38Å; I1920-L1924 PolarHBondContact O-N 3.47Å; L1924-T1926 PolarHBondContact O-N 3.49Å; L1924-M1934 HydrophobicContact CB-SD 4.06Å; L1924-I1937 HydrophobicContact CD1-CB 3.95Å; L1924-I1937 HydrophobicContact CD1-CG2 3.51Å; L1924-I1937 HydrophobicContact CD2-CB 4.16Å; L1924-I1937 HydrophobicContact CD2-CD1 3.73Å; L1924-I1937 HydrophobicContact CD2-CG2 4.31Å; L1924-I1937 HydrophobicContact CG-CG2 4.47Å |
| 1925 | L | 37.1 | Very low | 33.8 | Very low | 54 Ų | 54 | 68 Ų | 68 | 28% | 0.283 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 4.8 | 172.5 | -70.2 | 171.4 | 0 | 0 | 0 | 114 | Q1894 V1921 | Q1894-L1925 WeakPolarHBondContact CB-O 3.02Å; V1921-L1925 HydrophobicContact CG1-CD1 4.44Å; V1921-L1925 WeakPolarHBondContact O-CG 3.25Å; V1921-L1925 PolarHBondContact O-N 2.79Å |
| 1926 | T | 35.7 | Very low | 33.8 | Very low | 48 Ų | 48 | 67.1 Ų | 67.1 | 29% | 0.294 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.9 | 4.6 | 179.7 | 53.8 | 0 | 0 | 0 | 0 | 115.6 | Q1895 C1922 H1923 L1924 | Q1895-T1926 HydrophobicContact CG-CG2 4.34Å; C1922-T1926 PolarHBondContact O-OG1 2.89Å; H1923-T1926 CarbonylContact O-C 3.5Å; H1923-T1926 PolarHBondContact O-N 2.95Å; H1923-T1926 PolarHBondContact O-OG1 3.02Å; H1923-T1926 VanDerWaalsContact O-OG1 3.08Å; L1924-T1926 PolarHBondContact O-N 3.49Å |
| 1927 | Q | 29.9 | Very low | 34.2 | Very low | 108 Ų | 108 | 66.7 Ų | 66.7 | 51% | 0.505 | 36% | 0.355 | S | S | . | . | trans | -112.5 | 134.2 | 171 | -74 | -174.3 | -69.3 | 0 | 0 | 111.2 | H1923 | H1923-Q1927 PolarHBondContact CE1-OE1 3.48Å; H1923-Q1927 PolarHBondContact ND1-OE1 3.5Å; H1923-Q1927 PolarHBondContact O-N 2.97Å | ||
| 1928 | N | 29 | Very low | 34.7 | Very low | 65 Ų | 65 | 65.9 Ų | 65.9 | 35% | 0.348 | 35% | 0.35 | S | S | . | . | trans | -114.4 | 73 | 177.3 | -67.5 | 23.7 | 0 | 0 | 0 | 108.6 | E1887 | E1887-N1928 PolarHBondContact OE1-ND2 3.33Š| ||
| 1929 | D | 26.6 | Very low | 35.2 | Very low | 92 Ų | 92 | 65.6 Ų | 65.6 | 49% | 0.492 | 35% | 0.349 | S | S | . | . | trans | -144.8 | 130.5 | 172.8 | -77.7 | -59.5 | 0 | 0 | 0 | 110 | T1933 | D1929-T1933 PolarHBondContact O-OG1 2.79Š| ||
| 1930 | E | 30.3 | Very low | 35.3 | Very low | 133 Ų | 133 | 65.1 Ų | 65.1 | 62% | 0.621 | 35% | 0.347 | S | S | * | . | trans | 47.7 | 114.2 | 176.4 | -63.7 | -167.8 | -167.1 | 0 | 0 | 119.4 | N1932 T1933 | E1930-N1932 PolarHBondContact O-N 2.7Å; E1930-N1932 VanDerWaalsContact O-N 3.08Å; E1930-T1933 HydrophobicContact CB-CG2 4.33Å; E1930-T1933 PolarHBondContact O-N 3.09Å; E1930-T1933 VanDerWaalsContact O-N 3.08Å; E1930-T1933 PolarHBondContact O-OG1 2.89Å | ||
| 1931 | S | 31.8 | Very low | 35.5 | Very low | 64 Ų | 64 | 62.4 Ų | 62.4 | 45% | 0.448 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -54.6 | -27 | -179.4 | 54.4 | 0 | 0 | 0 | 0 | 115.9 | S151 T1933 | S151-S1931 PolarHBondContact OG-OG 2.58Å; S1931-T1933 VanDerWaalsContact C-N 3.34Å; S1931-T1933 PolarHBondContact O-N 3.24Å |
| 1932 | N | 31.5 | Very low | 36.1 | Very low | 64 Ų | 64 | 59.9 Ų | 59.9 | 34% | 0.342 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.4 | -30.3 | 178.2 | -70.2 | -53.5 | 0 | 0 | 0 | 113.1 | E1930 T1936 | E1930-N1932 PolarHBondContact O-N 2.7Å; E1930-N1932 VanDerWaalsContact O-N 3.08Å; N1932-T1936 PolarHBondContact O-N 2.85Å; N1932-T1936 PolarHBondContact O-OG1 2.03Å |
| 1933 | T | 35.6 | Very low | 36.3 | Very low | 58 Ų | 58 | 63.2 Ų | 63.2 | 36% | 0.356 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69.2 | -45.9 | -173.5 | 65.1 | 0 | 0 | 0 | 0 | 111.5 | D1929 E1930 S1931 Q1935 T1936 I1937 | D1929-T1933 PolarHBondContact O-OG1 2.79Å; E1930-T1933 HydrophobicContact CB-CG2 4.33Å; E1930-T1933 PolarHBondContact O-N 3.09Å; E1930-T1933 VanDerWaalsContact O-N 3.08Å; E1930-T1933 PolarHBondContact O-OG1 2.89Å; S1931-T1933 VanDerWaalsContact C-N 3.34Å; S1931-T1933 PolarHBondContact O-N 3.24Å; T1933-Q1935 PolarHBondContact O-N 2.81Å; T1933-T1936 PolarHBondContact O-N 3.14Å; T1933-I1937 WeakPolarHBondContact O-CB 3.21Å; T1933-I1937 VanDerWaalsContact O-CG1 3.25Å; T1933-I1937 WeakPolarHBondContact O-CG1 3.39Å; T1933-I1937 PolarHBondContact O-N 3.31Å |
| 1934 | M | 34 | Very low | 36.4 | Very low | 63 Ų | 63 | 59.5 Ų | 59.5 | 31% | 0.31 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.9 | -43.1 | 178.4 | -96.1 | -74.2 | -75 | 0 | 0 | 112.5 | L1924 L1938 | L1924-M1934 HydrophobicContact CB-SD 4.06Å; M1934-L1938 HydrophobicContact CE-CD1 3.99Å; M1934-L1938 VanDerWaalsContact O-CB 3.25Å; M1934-L1938 WeakPolarHBondContact O-CB 3.19Å; M1934-L1938 WeakPolarHBondContact O-CG 3.01Å; M1934-L1938 PolarHBondContact O-N 3.19Å |
| 1935 | Q | 39.2 | Very low | 36.3 | Very low | 19 Ų | 19 | 63.5 Ų | 63.5 | 9% | 0.089 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.5 | -49.9 | 177.1 | -73.1 | -154.6 | -24.7 | 0 | 0 | 112.1 | T1933 I1937 L1938 H1939 E1970 I1975 F1979 | T1933-Q1935 PolarHBondContact O-N 2.81Å; Q1935-I1937 VanDerWaalsContact C-N 3.3Å; Q1935-I1937 PolarHBondContact O-N 2.93Å; Q1935-L1938 PolarHBondContact O-N 2.85Å; Q1935-H1939 WeakPolarHBondContact O-CB 3.49Å; Q1935-H1939 PolarHBondContact O-N 3.1Å; Q1935-E1970 PolarHBondContact NE2-OE2 2.94Å; Q1935-I1975 HydrophobicContact CG-CD1 4.32Å; Q1935-F1979 HydrophobicContact CB-CE2 3.83Å; Q1935-F1979 HydrophobicContact CB-CZ 3.84Å; Q1935-F1979 HydrophobicContact CG-CE2 4.35Å |
| 1936 | T | 34.5 | Very low | 36.2 | Very low | 69 Ų | 69 | 64.7 Ų | 64.7 | 42% | 0.423 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.2 | -36.4 | -177.4 | -50.9 | 0 | 0 | 0 | 0 | 112 | N1932 T1933 H1939 N1940 | N1932-T1936 PolarHBondContact O-N 2.85Å; N1932-T1936 PolarHBondContact O-OG1 2.03Å; T1933-T1936 PolarHBondContact O-N 3.14Å; T1936-H1939 WeakPolarHBondContact O-CB 2.98Å; T1936-N1940 PolarHBondContact O-N 3.46Å; T1936-N1940 PolarHBondContact O-OD1 2.79Å |
| 1937 | I | 37.7 | Very low | 36.2 | Very low | 52 Ų | 52 | 63 Ų | 63 | 27% | 0.267 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -89.3 | -25.6 | -175.7 | -50.7 | 164.4 | 0 | 0 | 0 | 111.8 | I1920 L1924 T1933 Q1935 N1940 S1941 | I1920-I1937 HydrophobicContact CG2-CG2 3.81Å; L1924-I1937 HydrophobicContact CD1-CB 3.95Å; L1924-I1937 HydrophobicContact CD1-CG2 3.51Å; L1924-I1937 HydrophobicContact CD2-CB 4.16Å; L1924-I1937 HydrophobicContact CD2-CD1 3.73Å; L1924-I1937 HydrophobicContact CD2-CG2 4.31Å; L1924-I1937 HydrophobicContact CG-CG2 4.47Å; T1933-I1937 WeakPolarHBondContact O-CB 3.21Å; T1933-I1937 VanDerWaalsContact O-CG1 3.25Å; T1933-I1937 WeakPolarHBondContact O-CG1 3.39Å; T1933-I1937 PolarHBondContact O-N 3.31Å; Q1935-I1937 VanDerWaalsContact C-N 3.3Å; Q1935-I1937 PolarHBondContact O-N 2.93Å; I1937-N1940 PolarHBondContact O-N 2.66Å; I1937-S1941 WeakPolarHBondContact O-CB 3.02Å; I1937-S1941 PolarHBondContact O-N 2.93Å |
| 1938 | L | 43.4 | Very low | 36.7 | Very low | 38 Ų | 38 | 59 Ų | 59 | 20% | 0.199 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.2 | -49.7 | 160.7 | -90.1 | 160.5 | 0 | 0 | 0 | 110.6 | M1934 Q1935 N1940 S1941 M1942 I1965 L1972 I1975 | M1934-L1938 HydrophobicContact CE-CD1 3.99Å; M1934-L1938 VanDerWaalsContact O-CB 3.25Å; M1934-L1938 WeakPolarHBondContact O-CB 3.19Å; M1934-L1938 WeakPolarHBondContact O-CG 3.01Å; M1934-L1938 PolarHBondContact O-N 3.19Å; Q1935-L1938 PolarHBondContact O-N 2.85Å; L1938-N1940 VanDerWaalsContact C-N 3.33Å; L1938-N1940 PolarHBondContact O-N 2.68Å; L1938-S1941 PolarHBondContact O-N 2.99Å; L1938-S1941 VanDerWaalsContact O-N 3.08Å; L1938-S1941 PolarHBondContact O-OG 2.79Å; L1938-M1942 WeakPolarHBondContact O-CG 3.34Å; L1938-M1942 PolarHBondContact O-N 3.08Å; L1938-I1965 HydrophobicContact CD1-CD1 4.29Å; L1938-L1972 HydrophobicContact CD2-CD1 4.06Å; L1938-I1975 HydrophobicContact CD1-CD1 4.29Å |
| 1939 | H | 43.9 | Very low | 36.9 | Very low | 47 Ų | 47 | 61.8 Ų | 61.8 | 22% | 0.218 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -51 | -50.1 | 173.5 | 160.3 | -92.3 | 0 | 0 | 0 | 111.8 | Q1935 T1936 S1941 M1942 N1943 F1979 Q1981 | Q1935-H1939 WeakPolarHBondContact O-CB 3.49Å; Q1935-H1939 PolarHBondContact O-N 3.1Å; T1936-H1939 WeakPolarHBondContact O-CB 2.98Å; H1939-S1941 PolarHBondContact O-N 3.18Å; H1939-M1942 PolarHBondContact O-N 2.97Å; H1939-N1943 PolarHBondContact CE1-ND2 2.97Å; H1939-N1943 PolarHBondContact NE2-ND2 3.26Å; H1939-N1943 VanDerWaalsContact NE2-ND2 3.15Å; H1939-N1943 PolarHBondContact O-N 2.59Å; H1939-N1943 VanDerWaalsContact O-N 3.12Å; H1939-F1979 HydrophobicContact CB-CG 4.42Å; H1939-Q1981 PolarHBondContact CD2-NE2 3.06Å; H1939-Q1981 PolarHBondContact O-NE2 2.88Å; H1939-Q1981 VanDerWaalsContact O-NE2 3.11Å |
| 1940 | N | 37.7 | Very low | 37.2 | Very low | 86 Ų | 86 | 59.9 Ų | 59.9 | 46% | 0.46 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 178.1 | -66.1 | -7.6 | 0 | 0 | 0 | 112.5 | T1936 I1937 L1938 M1942 N1943 S1944 | T1936-N1940 PolarHBondContact O-N 3.46Å; T1936-N1940 PolarHBondContact O-OD1 2.79Å; I1937-N1940 PolarHBondContact O-N 2.66Å; L1938-N1940 VanDerWaalsContact C-N 3.33Å; L1938-N1940 PolarHBondContact O-N 2.68Å; N1940-M1942 VanDerWaalsContact C-N 3.32Å; N1940-M1942 PolarHBondContact O-N 3.09Å; N1940-N1943 PolarHBondContact O-N 3.25Å; N1940-S1944 PolarHBondContact O-N 2.76Å |
| 1941 | S | 42.6 | Very low | 37.9 | Very low | 24 Ų | 24 | 55.9 Ų | 55.9 | 17% | 0.168 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.1 | -32.6 | 175.5 | 78.8 | 0 | 0 | 0 | 0 | 112.8 | I1937 L1938 H1939 S1944 S1947 | I1937-S1941 WeakPolarHBondContact O-CB 3.02Å; I1937-S1941 PolarHBondContact O-N 2.93Å; L1938-S1941 PolarHBondContact O-N 2.99Å; L1938-S1941 VanDerWaalsContact O-N 3.08Å; L1938-S1941 PolarHBondContact O-OG 2.79Å; H1939-S1941 PolarHBondContact O-N 3.18Å; S1941-S1944 PolarHBondContact O-N 2.84Å; S1941-S1947 WeakPolarHBondContact O-CB 3.44Å |
| 1942 | M | 47.4 | Very low | 38.2 | Very low | 12 Ų | 12 | 60.3 Ų | 60.3 | 6% | 0.059 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -79 | -20.2 | 177.8 | -64 | -169.2 | 99.7 | 0 | 0 | 113.1 | L1938 H1939 N1940 S1944 W1948 L1972 S1976 A1984 L1988 | L1938-M1942 WeakPolarHBondContact O-CG 3.34Å; L1938-M1942 PolarHBondContact O-N 3.08Å; H1939-M1942 PolarHBondContact O-N 2.97Å; N1940-M1942 VanDerWaalsContact C-N 3.32Å; N1940-M1942 PolarHBondContact O-N 3.09Å; M1942-S1944 VanDerWaalsContact C-N 3.32Å; M1942-W1948 HydrophobicContact CE-CZ2 3.65Å; M1942-W1948 VanDerWaalsContact O-CD1 3.23Å; M1942-W1948 PolarHBondContact O-NE1 3.22Å; M1942-L1972 HydrophobicContact CE-CD1 4.04Å; M1942-L1972 HydrophobicContact CE-CD2 4.02Å; M1942-L1972 HydrophobicContact CE-CG 3.92Å; M1942-L1972 HydrophobicContact SD-CD1 3.71Å; M1942-L1972 HydrophobicContact SD-CG 4.23Å; M1942-S1976 PolarHBondContact SD-OG 2.02Å; M1942-A1984 HydrophobicContact CB-CB 4.4Å; M1942-A1984 HydrophobicContact CE-CB 4.08Å; M1942-A1984 HydrophobicContact SD-CB 4.36Å; M1942-L1988 HydrophobicContact CE-CD1 4.09Å; M1942-L1988 HydrophobicContact CE-CD2 4.18Å; M1942-L1988 HydrophobicContact CE-CG 4.16Å |
| 1943 | N | 38 | Very low | 38.5 | Very low | 96 Ų | 96 | 63.5 Ų | 63.5 | 51% | 0.513 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -80 | -11 | 169.7 | -68.7 | -24.1 | 0 | 0 | 0 | 112.9 | H1939 N1940 Q1981 | H1939-N1943 PolarHBondContact CE1-ND2 2.97Å; H1939-N1943 PolarHBondContact NE2-ND2 3.26Å; H1939-N1943 VanDerWaalsContact NE2-ND2 3.15Å; H1939-N1943 PolarHBondContact O-N 2.59Å; H1939-N1943 VanDerWaalsContact O-N 3.12Å; N1940-N1943 PolarHBondContact O-N 3.25Å; N1943-Q1981 PolarHBondContact OD1-NE2 2.67Å |
| 1944 | S | 39 | Very low | 38.9 | Very low | 28 Ų | 28 | 61.8 Ų | 61.8 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | trans | -86.3 | 115.1 | 172.6 | 177.1 | 0 | 0 | 0 | 0 | 111.7 | N1940 S1941 M1942 I1946 S1947 W1948 | N1940-S1944 PolarHBondContact O-N 2.76Å; S1941-S1944 PolarHBondContact O-N 2.84Å; M1942-S1944 VanDerWaalsContact C-N 3.32Å; S1944-I1946 PolarHBondContact O-N 3.16Å; S1944-S1947 WeakPolarHBondContact CB-OG 3.43Å; S1944-S1947 PolarHBondContact O-N 2.65Å; S1944-S1947 PolarHBondContact OG-N 2.97Å; S1944-S1947 PolarHBondContact OG-OG 2.99Å; S1944-W1948 PolarHBondContact O-N 3.18Å; S1944-W1948 VanDerWaalsContact O-N 3.11Å | ||
| 1945 | V | 37.5 | Very low | 39.2 | Very low | 114 Ų | 114 | 65.4 Ų | 65.4 | 69% | 0.691 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -58.2 | -33.8 | 176.5 | -179.2 | 0 | 0 | 0 | 0 | 111.8 | Q1949 | V1945-Q1949 PolarHBondContact O-N 2.91Å |
| 1946 | I | 34.4 | Very low | 39.4 | Very low | 78 Ų | 78 | 67.9 Ų | 67.9 | 40% | 0.4 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -73.8 | -41.3 | -179 | -58.8 | 176 | 0 | 0 | 0 | 110.3 | S1944 W1948 Q1949 M1950 | S1944-I1946 PolarHBondContact O-N 3.16Å; I1946-W1948 PolarHBondContact O-N 2.86Å; I1946-Q1949 PolarHBondContact O-N 3.11Å; I1946-Q1949 VanDerWaalsContact O-N 3.16Å; I1946-M1950 HydrophobicContact CG2-CE 4.1Å; I1946-M1950 PolarHBondContact O-N 2.86Å; I1946-M1950 VanDerWaalsContact O-N 3.08Å |
| 1947 | S | 35.5 | Very low | 40.1 | Very low | 13 Ų | 13 | 65.1 Ų | 65.1 | 9% | 0.091 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 174.6 | -60.3 | 0 | 0 | 0 | 0 | 111.8 | S1941 S1944 Q1949 M1950 I1951 | S1941-S1947 WeakPolarHBondContact O-CB 3.44Å; S1944-S1947 WeakPolarHBondContact CB-OG 3.43Å; S1944-S1947 PolarHBondContact O-N 2.65Å; S1944-S1947 PolarHBondContact OG-N 2.97Å; S1944-S1947 PolarHBondContact OG-OG 2.99Å; S1947-Q1949 VanDerWaalsContact C-N 3.3Å; S1947-Q1949 PolarHBondContact O-N 3.01Å; S1947-M1950 PolarHBondContact O-N 2.8Å; S1947-M1950 VanDerWaalsContact O-N 3.11Å; S1947-I1951 WeakPolarHBondContact O-CB 3.45Å; S1947-I1951 WeakPolarHBondContact O-CG1 3.4Å; S1947-I1951 PolarHBondContact O-N 3.05Å |
| 1948 | W | 40.8 | Very low | 40.5 | Very low | 24 Ų | 24 | 69.8 Ų | 69.8 | 9% | 0.091 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.3 | -37.8 | 173.4 | -107.8 | 108.5 | 0 | 0 | 0 | 112.7 | M1942 S1944 I1946 I1951 Y1952 A1984 N1987 L1988 | M1942-W1948 HydrophobicContact CE-CZ2 3.65Å; M1942-W1948 VanDerWaalsContact O-CD1 3.23Å; M1942-W1948 PolarHBondContact O-NE1 3.22Å; S1944-W1948 PolarHBondContact O-N 3.18Å; S1944-W1948 VanDerWaalsContact O-N 3.11Å; I1946-W1948 PolarHBondContact O-N 2.86Å; W1948-I1951 HydrophobicContact CE3-CG2 4.28Å; W1948-I1951 HydrophobicContact CZ3-CG2 4.32Å; W1948-I1951 PolarHBondContact O-N 3.29Å; W1948-Y1952 WeakPolarHBondContact O-CB 3.14Å; W1948-Y1952 PolarHBondContact O-N 3.36Å; W1948-A1984 HydrophobicContact CZ2-CB 4.5Å; W1948-N1987 HydrophobicContact CD2-CB 4.39Å; W1948-N1987 HydrophobicContact CE3-CB 4.25Å; W1948-N1987 HydrophobicContact CH2-CB 3.4Å; W1948-N1987 VanDerWaalsContact CH2-CB 3.4Å; W1948-N1987 HydrophobicContact CZ2-CB 3.54Å; W1948-N1987 HydrophobicContact CZ3-CB 3.78Å; W1948-L1988 HydrophobicContact CH2-CD2 3.99Å; W1948-L1988 HydrophobicContact CH2-CG 4.02Å; W1948-L1988 HydrophobicContact CZ2-CD2 4.35Å; W1948-L1988 HydrophobicContact CZ2-CG 4.11Å |
| 1949 | Q | 34.1 | Very low | 40.7 | Very low | 124 Ų | 124 | 77.4 Ų | 77.4 | 58% | 0.579 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -67.7 | -33.9 | 173.6 | -80.8 | -172.2 | -26.6 | 0 | 0 | 113.5 | V1945 I1946 S1947 N1953 | V1945-Q1949 PolarHBondContact O-N 2.91Å; I1946-Q1949 PolarHBondContact O-N 3.11Å; I1946-Q1949 VanDerWaalsContact O-N 3.16Å; S1947-Q1949 VanDerWaalsContact C-N 3.3Å; S1947-Q1949 PolarHBondContact O-N 3.01Å; Q1949-N1953 WeakPolarHBondContact O-CB 3.03Å; Q1949-N1953 PolarHBondContact O-N 3.09Å; Q1949-N1953 VanDerWaalsContact O-N 3.16Å; Q1949-N1953 PolarHBondContact O-ND2 2.81Å |
| 1950 | M | 33.5 | Very low | 41.3 | Very low | 52 Ų | 52 | 78.4 Ų | 78.4 | 26% | 0.256 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -70.6 | -37.9 | 173.9 | -62.2 | -157.8 | -163.6 | 0 | 0 | 112.1 | F1918 I1946 S1947 | F1918-M1950 HydrophobicContact CD2-SD 3.89Å; I1946-M1950 HydrophobicContact CG2-CE 4.1Å; I1946-M1950 PolarHBondContact O-N 2.86Å; I1946-M1950 VanDerWaalsContact O-N 3.08Å; S1947-M1950 PolarHBondContact O-N 2.8Å; S1947-M1950 VanDerWaalsContact O-N 3.11Å |
| 1951 | I | 43.5 | Very low | 42.4 | Very low | 48 Ų | 48 | 74.4 Ų | 74.4 | 25% | 0.246 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.4 | -54.2 | 174.7 | -74 | 167.7 | 0 | 0 | 0 | 109.9 | S1947 W1948 N1953 S1954 L1957 | S1947-I1951 WeakPolarHBondContact O-CB 3.45Å; S1947-I1951 WeakPolarHBondContact O-CG1 3.4Å; S1947-I1951 PolarHBondContact O-N 3.05Å; W1948-I1951 HydrophobicContact CE3-CG2 4.28Å; W1948-I1951 HydrophobicContact CZ3-CG2 4.32Å; W1948-I1951 PolarHBondContact O-N 3.29Å; I1951-N1953 PolarHBondContact O-N 2.96Å; I1951-S1954 WeakPolarHBondContact O-CB 3.26Å; I1951-S1954 PolarHBondContact O-N 2.91Å; I1951-S1954 VanDerWaalsContact O-N 3.14Å; I1951-S1954 PolarHBondContact O-OG 2.8Å; I1951-L1957 HydrophobicContact CG2-CD1 3.7Å; I1951-L1957 HydrophobicContact CG2-CD2 3.65Å; I1951-L1957 HydrophobicContact CG2-CG 4.31Å; I1951-L1957 WeakPolarHBondContact O-CD2 3.49Å |
| 1952 | Y | 38.4 | Very low | 43.7 | Very low | 157 Ų | 157 | 76.5 Ų | 76.5 | 62% | 0.616 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.2 | -35.6 | -176.9 | -172.6 | -91.5 | 0 | 0 | 0 | 113.9 | W1948 S1954 V1991 | W1948-Y1952 WeakPolarHBondContact O-CB 3.14Å; W1948-Y1952 PolarHBondContact O-N 3.36Å; Y1952-S1954 PolarHBondContact O-N 2.05Å; Y1952-V1991 HydrophobicContact CD2-CG2 3.77Å; Y1952-V1991 HydrophobicContact CE2-CG2 3.76Å |
| 1953 | N | 38.4 | Very low | 44.7 | Very low | 131 Ų | 131 | 80.7 Ų | 80.7 | 70% | 0.701 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | 4.3 | 177.8 | -77.7 | -62.1 | 0 | 0 | 0 | 114.2 | Q1949 I1951 | Q1949-N1953 WeakPolarHBondContact O-CB 3.03Å; Q1949-N1953 PolarHBondContact O-N 3.09Å; Q1949-N1953 VanDerWaalsContact O-N 3.16Å; Q1949-N1953 PolarHBondContact O-ND2 2.81Å; I1951-N1953 PolarHBondContact O-N 2.96Å |
| 1954 | S | 43.8 | Very low | 46.5 | Very low | 23 Ų | 23 | 81.1 Ų | 81.1 | 16% | 0.161 | 40% | 0.398 | C | S | . | . | trans | -98.6 | 126.8 | -176.1 | 77.5 | 0 | 0 | 0 | 0 | 113.7 | F1901 I1951 Y1952 H1956 L1957 | F1901-S1954 VanDerWaalsContact CZ-CB 3.43Å; I1951-S1954 WeakPolarHBondContact O-CB 3.26Å; I1951-S1954 PolarHBondContact O-N 2.91Å; I1951-S1954 VanDerWaalsContact O-N 3.14Å; I1951-S1954 PolarHBondContact O-OG 2.8Å; Y1952-S1954 PolarHBondContact O-N 2.05Å; S1954-H1956 PolarHBondContact O-N 2.95Å; S1954-L1957 PolarHBondContact O-N 3.45Å | ||
| 1955 | T | 40.8 | Very low | 48 | Very low | 138 Ų | 138 | 81.4 Ų | 81.4 | 85% | 0.847 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -2.6 | 175.9 | 51.7 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1956 | H | 42.9 | Very low | 48.7 | Very low | 72 Ų | 72 | 79.6 Ų | 79.6 | 33% | 0.333 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -9.4 | 177.2 | -71.5 | -49.3 | 0 | 0 | 0 | 114.2 | F1901 S1954 H1958 R1959 | F1901-H1956 HydrophobicContact CE2-CB 4.09Å; F1901-H1956 HydrophobicContact CZ-CB 4.31Å; S1954-H1956 PolarHBondContact O-N 2.95Å; H1956-H1958 VanDerWaalsContact C-N 3.32Å; H1956-H1958 PolarHBondContact O-N 2.89Å; H1956-R1959 PolarHBondContact O-N 3.38Å |
| 1957 | L | 48.6 | Very low | 49.7 | Very low | 11 Ų | 11 | 82.2 Ų | 82.2 | 6% | 0.058 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -55.5 | -42.6 | -174.9 | -177.8 | 50.1 | 0 | 0 | 0 | 113.1 | I1951 S1954 R1959 L1960 L1961 V1991 | I1951-L1957 HydrophobicContact CG2-CD1 3.7Å; I1951-L1957 HydrophobicContact CG2-CD2 3.65Å; I1951-L1957 HydrophobicContact CG2-CG 4.31Å; I1951-L1957 WeakPolarHBondContact O-CD2 3.49Å; S1954-L1957 PolarHBondContact O-N 3.45Å; L1957-R1959 PolarHBondContact O-N 2.88Å; L1957-L1960 PolarHBondContact O-N 2.8Å; L1957-L1961 HydrophobicContact CD1-CD2 3.84Å; L1957-L1961 HydrophobicContact CD1-CG 4.2Å; L1957-L1961 HydrophobicContact CG-CD2 4.01Å; L1957-L1961 HydrophobicContact CG-CG 4.21Å; L1957-L1961 WeakPolarHBondContact O-CG 3.5Å; L1957-L1961 PolarHBondContact O-N 3.46Å; L1957-V1991 HydrophobicContact CD2-CG1 3.6Å; L1957-V1991 HydrophobicContact CG-CG1 4.07Å |
| 1958 | H | 47.3 | Very low | 51.2 | Low | 149 Ų | 149 | 83.8 Ų | 83.8 | 69% | 0.69 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -56.4 | -18.8 | 176.1 | -87 | -53.4 | 0 | 0 | 0 | 115.3 | H1956 V1991 | H1956-H1958 VanDerWaalsContact C-N 3.32Å; H1956-H1958 PolarHBondContact O-N 2.89Å; H1958-V1991 PolarHBondContact CE1-O 3.15Å |
| 1959 | R | 46.3 | Very low | 52.6 | Low | 198 Ų | 198 | 82.7 Ų | 82.7 | 75% | 0.747 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -85.1 | -19.9 | 172.4 | -70.5 | -172.4 | 173.2 | -170.7 | -3.8 | 113.6 | H1956 L1957 L1963 | H1956-R1959 PolarHBondContact O-N 3.38Å; L1957-R1959 PolarHBondContact O-N 2.88Å; R1959-L1963 VanDerWaalsContact O-CD1 3.28Å; R1959-L1963 WeakPolarHBondContact O-CD1 3.49Å; R1959-L1963 WeakPolarHBondContact O-CG 3.31Å |
| 1960 | L | 56.3 | Low | 54.9 | Low | 68 Ų | 68 | 76.8 Ų | 76.8 | 36% | 0.356 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -95.6 | -31.9 | -175.8 | -69.9 | 165.7 | 0 | 0 | 0 | 113.2 | L1957 N1962 L1963 | L1957-L1960 PolarHBondContact O-N 2.8Å; L1960-N1962 VanDerWaalsContact C-N 3.25Å; L1960-N1962 PolarHBondContact O-N 3.08Å; L1960-N1962 VanDerWaalsContact O-N 3.11Å; L1960-L1963 HydrophobicContact CD2-CD1 4.13Å; L1960-L1963 PolarHBondContact O-N 3.11Å; L1960-L1963 VanDerWaalsContact O-N 3.08Å |
| 1961 | L | 62.5 | Low | 57.3 | Low | 2 Ų | 2 | 74.3 Ų | 74.3 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -41.3 | -173.6 | -64.1 | 164.8 | 0 | 0 | 0 | 114.1 | L1957 L1988 V1991 A1993 | L1957-L1961 HydrophobicContact CD1-CD2 3.84Å; L1957-L1961 HydrophobicContact CD1-CG 4.2Å; L1957-L1961 HydrophobicContact CG-CD2 4.01Å; L1957-L1961 HydrophobicContact CG-CG 4.21Å; L1957-L1961 WeakPolarHBondContact O-CG 3.5Å; L1957-L1961 PolarHBondContact O-N 3.46Å; L1961-L1988 HydrophobicContact CD2-CD2 3.7Å; L1961-V1991 HydrophobicContact CD1-CG1 4.13Å; L1961-V1991 VanDerWaalsContact CD1-O 3.29Å; L1961-V1991 WeakPolarHBondContact CD1-O 3.4Å; L1961-V1991 HydrophobicContact CD2-CG1 4.35Å; L1961-A1993 HydrophobicContact CB-CB 4.08Å; L1961-A1993 HydrophobicContact CD2-CB 4.25Å |
| 1962 | N | 69.2 | Low | 59.2 | Low | 68 Ų | 68 | 73.4 Ų | 73.4 | 36% | 0.364 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | 9.2 | -176.7 | -60.9 | -6.6 | 0 | 0 | 0 | 112.9 | L1960 R1964 D1994 T1997 | L1960-N1962 VanDerWaalsContact C-N 3.25Å; L1960-N1962 PolarHBondContact O-N 3.08Å; L1960-N1962 VanDerWaalsContact O-N 3.11Å; N1962-R1964 PolarHBondContact O-N 3.19Å; N1962-D1994 VanDerWaalsContact ND2-CB 3.31Å; N1962-D1994 WeakPolarHBondContact ND2-CB 3.37Å; N1962-D1994 PolarHBondContact OD1-N 2.96Å; N1962-T1997 HydrophobicContact CB-CG2 3.97Å |
| 1963 | L | 68.9 | Low | 61.6 | Low | 101 Ų | 101 | 66 Ų | 66 | 53% | 0.529 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 127.2 | 174.1 | -103.8 | 172.6 | 0 | 0 | 0 | 109.1 | R1959 L1960 | R1959-L1963 VanDerWaalsContact O-CD1 3.28Å; R1959-L1963 WeakPolarHBondContact O-CD1 3.49Å; R1959-L1963 WeakPolarHBondContact O-CG 3.31Å; L1960-L1963 HydrophobicContact CD2-CD1 4.13Å; L1960-L1963 PolarHBondContact O-N 3.11Å; L1960-L1963 VanDerWaalsContact O-N 3.08Å |
| 1964 | R | 74.6 | Confident | 63.9 | Low | 105 Ų | 105 | 59.8 Ų | 59.8 | 40% | 0.396 | 30% | 0.301 | S | S | . | . | B | Isolated β-bridge | trans | -74 | 135 | 167.5 | -66.3 | -174 | 178.6 | 167.2 | 4 | 109.5 | N1962 G1969 E1970 T1971 V1998 D1999 N2000 | N1962-R1964 PolarHBondContact O-N 3.19Å; R1964-G1969 WeakPolarHBondContact CB-O 3.48Å; R1964-G1969 WeakPolarHBondContact CD-O 3.45Å; R1964-G1969 WeakPolarHBondContact CG-O 3.39Å; R1964-E1970 WeakPolarHBondContact CA-O 3.24Å; R1964-T1971 HydrophobicContact CG-CG2 4.01Å; R1964-V1998 PolarHBondContact NE-O 3.12Å; R1964-V1998 PolarHBondContact NH2-O 3Å; R1964-D1999 VanDerWaalsContact CZ-C 3.47Å; R1964-D1999 PolarHBondContact NH2-O 3.19Å; R1964-N2000 WeakPolarHBondContact CD-OD1 3.26Å; R1964-N2000 PolarHBondContact NH1-OD1 2.95Å |
| 1965 | I | 71.8 | Confident | 66 | Low | 34 Ų | 34 | 58.7 Ų | 58.7 | 17% | 0.174 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -69 | 132.7 | 169.8 | -68.6 | 160.7 | 0 | 0 | 0 | 107.7 | L1938 D1967 G1969 E1970 I1975 | L1938-I1965 HydrophobicContact CD1-CD1 4.29Å; I1965-D1967 VanDerWaalsContact C-N 3.28Å; I1965-D1967 PolarHBondContact O-N 2.97Å; I1965-G1969 VanDerWaalsContact O-CA 3.28Å; I1965-G1969 WeakPolarHBondContact O-CA 3.21Å; I1965-G1969 PolarHBondContact O-N 3Å; I1965-E1970 PolarHBondContact N-O 3.18Å; I1965-I1975 HydrophobicContact CD1-CD1 3.36Å |
| 1966 | P | 51.3 | Low | 68.3 | Low | 75 Ų | 75 | 52.1 Ų | 52.1 | 49% | 0.487 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -40 | -170.3 | -28 | 36 | 0 | 0 | 0 | 114.3 | ||
| 1967 | D | 55.4 | Low | 70.5 | Confident | 134 Ų | 134 | 48.7 Ų | 48.7 | 72% | 0.717 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -28.4 | -165.2 | -38.8 | -67.8 | 0 | 0 | 0 | 113 | I1965 | I1965-D1967 VanDerWaalsContact C-N 3.28Å; I1965-D1967 PolarHBondContact O-N 2.97Å |
| 1968 | T | 66.3 | Low | 72.3 | Confident | 46 Ų | 46 | 52 Ų | 52 | 28% | 0.282 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -18.9 | 175.8 | 65.2 | 0 | 0 | 0 | 0 | 113.4 | E1970 | T1968-E1970 PolarHBondContact O-N 2.89Å; T1968-E1970 PolarHBondContact OG1-N 2.69Å |
| 1969 | G | 71 | Confident | 74.1 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | 69.9 | -0.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | R1964 I1965 D1999 N2000 | R1964-G1969 WeakPolarHBondContact CB-O 3.48Å; R1964-G1969 WeakPolarHBondContact CD-O 3.45Å; R1964-G1969 WeakPolarHBondContact CG-O 3.39Å; I1965-G1969 VanDerWaalsContact O-CA 3.28Å; I1965-G1969 WeakPolarHBondContact O-CA 3.21Å; I1965-G1969 PolarHBondContact O-N 3Å; G1969-D1999 WeakPolarHBondContact O-CA 3.44Å; G1969-D1999 WeakPolarHBondContact O-CB 2.81Å; G1969-N2000 VanDerWaalsContact CA-ND2 3.27Å; G1969-N2000 WeakPolarHBondContact CA-ND2 3.46Å; G1969-N2000 PolarHBondContact O-N 2.82Å | ||
| 1970 | E | 82 | Confident | 76.1 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -80.5 | 144 | -176.8 | -75.1 | -179.3 | 133.9 | 0 | 0 | 112 | Q1935 R1964 I1965 T1968 H1974 I1975 R1978 D1999 | Q1935-E1970 PolarHBondContact NE2-OE2 2.94Å; R1964-E1970 WeakPolarHBondContact CA-O 3.24Å; I1965-E1970 PolarHBondContact N-O 3.18Å; T1968-E1970 PolarHBondContact O-N 2.89Å; T1968-E1970 PolarHBondContact OG1-N 2.69Å; E1970-H1974 HydrophobicContact CB-CB 3.91Å; E1970-H1974 HydrophobicContact CG-CB 3.94Å; E1970-I1975 HydrophobicContact CB-CG1 4.29Å; E1970-R1978 IonicContact OE1-CZ 2.78Å; E1970-R1978 IonicContact OE1-NE 3.92Å; E1970-R1978 PolarHBondContact OE1-NE 2.72Å; E1970-R1978 IonicContact OE1-NH2 3.54Å; E1970-R1978 PolarHBondContact OE1-NH2 3.05Å; E1970-R1978 IonicContact OE2-CZ 2.66Å; E1970-R1978 VanDerWaalsContact OE2-CZ 3.29Å; E1970-R1978 IonicContact OE2-NE 3.84Å; E1970-R1978 PolarHBondContact OE2-NE 2.75Å; E1970-R1978 IonicContact OE2-NH1 3.54Å; E1970-R1978 IonicContact OE2-NH2 3.36Å; E1970-R1978 PolarHBondContact OE2-NH2 3.42Å; E1970-D1999 HydrophobicContact CG-CB 4.17Å | ||
| 1971 | T | 84.9 | Confident | 77.3 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -83.5 | 164.5 | 163.8 | 74.5 | 0 | 0 | 0 | 0 | 110.4 | R1964 L1973 H1974 I1975 T1997 | R1964-T1971 HydrophobicContact CG-CG2 4.01Å; T1971-L1973 PolarHBondContact O-N 2.86Å; T1971-L1973 VanDerWaalsContact O-N 3.1Å; T1971-H1974 WeakPolarHBondContact O-CB 3.29Å; T1971-H1974 PolarHBondContact O-N 3.39Å; T1971-H1974 PolarHBondContact OG1-ND1 3.25Å; T1971-I1975 PolarHBondContact O-N 2.87Å; T1971-T1997 HydrophobicContact CG2-CG2 4.34Å; T1971-T1997 PolarHBondContact OG1-OG1 3.14Å |
| 1972 | L | 83.3 | Confident | 78.3 | Confident | 29 Ų | 29 | 41 Ų | 41 | 15% | 0.152 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54 | -32.4 | 177.8 | -170.8 | 57 | 0 | 0 | 0 | 112.8 | L1938 M1942 I1975 S1976 L1988 | L1938-L1972 HydrophobicContact CD2-CD1 4.06Å; M1942-L1972 HydrophobicContact CE-CD1 4.04Å; M1942-L1972 HydrophobicContact CE-CD2 4.02Å; M1942-L1972 HydrophobicContact CE-CG 3.92Å; M1942-L1972 HydrophobicContact SD-CD1 3.71Å; M1942-L1972 HydrophobicContact SD-CG 4.23Å; L1972-I1975 PolarHBondContact O-N 3.46Å; L1972-S1976 PolarHBondContact O-N 3.41Å; L1972-S1976 PolarHBondContact O-OG 3.22Å; L1972-L1988 HydrophobicContact CD2-CD2 3.75Å; L1972-L1988 HydrophobicContact CG-CD1 4.21Å; L1972-L1988 HydrophobicContact CG-CD2 4.07Å |
| 1973 | L | 87.8 | Confident | 78.8 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.5 | -33.4 | 176.1 | -170.4 | 67.8 | 0 | 0 | 0 | 113.4 | T1971 A1977 I1985 L1988 L1989 F1995 A2005 | T1971-L1973 PolarHBondContact O-N 2.86Å; T1971-L1973 VanDerWaalsContact O-N 3.1Å; L1973-A1977 VanDerWaalsContact O-CB 3.28Å; L1973-A1977 WeakPolarHBondContact O-CB 3.31Å; L1973-A1977 PolarHBondContact O-N 3.46Å; L1973-I1985 HydrophobicContact CD1-CB 4.43Å; L1973-I1985 HydrophobicContact CD1-CG1 4.36Å; L1973-I1985 HydrophobicContact CD1-CG2 4.17Å; L1973-L1988 HydrophobicContact CB-CD1 4.22Å; L1973-L1988 HydrophobicContact CD1-CB 3.99Å; L1973-L1988 HydrophobicContact CD1-CD1 3.82Å; L1973-L1989 HydrophobicContact CD1-CD2 4.15Å; L1973-L1989 HydrophobicContact CD1-CG 4.22Å; L1973-L1989 HydrophobicContact CD2-CD2 3.86Å; L1973-F1995 HydrophobicContact CD2-CB 4.36Å; L1973-A2005 HydrophobicContact CD2-CB 4.01Å; L1973-A2005 HydrophobicContact CG-CB 3.86Å |
| 1974 | H | 87.9 | Confident | 79.3 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.7 | -37.6 | 174.8 | -65.4 | 72.7 | 0 | 0 | 0 | 110.9 | E1970 T1971 A1977 R1978 T1997 D1999 R2003 T2004 A2005 | E1970-H1974 HydrophobicContact CB-CB 3.91Å; E1970-H1974 HydrophobicContact CG-CB 3.94Å; T1971-H1974 WeakPolarHBondContact O-CB 3.29Å; T1971-H1974 PolarHBondContact O-N 3.39Å; T1971-H1974 PolarHBondContact OG1-ND1 3.25Å; H1974-A1977 PolarHBondContact O-N 3.26Å; H1974-R1978 WeakPolarHBondContact O-CB 3.32Å; H1974-R1978 PolarHBondContact O-N 2.9Å; H1974-T1997 PolarHBondContact CE1-O 3.32Å; H1974-T1997 PolarHBondContact NE2-O 3.04Å; H1974-D1999 PolarHBondContact NE2-N 3.38Å; H1974-R2003 PolarHBondContact NE2-O 3.21Å; H1974-T2004 VanDerWaalsContact NE2-C 3.35Å; H1974-A2005 PolarHBondContact CD2-N 3.12Å; H1974-A2005 PolarHBondContact NE2-N 3.09Å; H1974-A2005 VanDerWaalsContact NE2-N 3.18Å |
| 1975 | I | 86.8 | Confident | 79.8 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.7 | -50.4 | 173.9 | -71.1 | -177.6 | 0 | 0 | 0 | 110.5 | Q1935 L1938 I1965 E1970 T1971 L1972 A1977 R1978 F1979 | Q1935-I1975 HydrophobicContact CG-CD1 4.32Å; L1938-I1975 HydrophobicContact CD1-CD1 4.29Å; I1965-I1975 HydrophobicContact CD1-CD1 3.36Å; E1970-I1975 HydrophobicContact CB-CG1 4.29Å; T1971-I1975 PolarHBondContact O-N 2.87Å; L1972-I1975 PolarHBondContact O-N 3.46Å; I1975-A1977 VanDerWaalsContact C-N 3.26Å; I1975-A1977 PolarHBondContact O-N 2.87Å; I1975-R1978 PolarHBondContact O-N 3.11Å; I1975-R1978 VanDerWaalsContact O-N 3.12Å; I1975-F1979 HydrophobicContact CG2-CD2 3.79Å; I1975-F1979 HydrophobicContact CG2-CE2 4.04Å; I1975-F1979 VanDerWaalsContact O-CD2 3.29Å; I1975-F1979 WeakPolarHBondContact O-CD2 3.26Å; I1975-F1979 PolarHBondContact O-N 3.18Å |
| 1976 | S | 88.5 | Confident | 80.2 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.1 | -35.8 | 176.3 | -60.9 | 0 | 0 | 0 | 0 | 112.6 | M1942 L1972 N1980 Q1981 | M1942-S1976 PolarHBondContact SD-OG 2.02Å; L1972-S1976 PolarHBondContact O-N 3.41Å; L1972-S1976 PolarHBondContact O-OG 3.22Å; S1976-N1980 PolarHBondContact O-N 2.89Å; S1976-Q1981 PolarHBondContact O-N 3.24Å |
| 1977 | A | 89 | Confident | 81.5 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.6 | -38.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1973 H1974 I1975 I1985 A2005 A2009 I2021 | L1973-A1977 VanDerWaalsContact O-CB 3.28Å; L1973-A1977 WeakPolarHBondContact O-CB 3.31Å; L1973-A1977 PolarHBondContact O-N 3.46Å; H1974-A1977 PolarHBondContact O-N 3.26Å; I1975-A1977 VanDerWaalsContact C-N 3.26Å; I1975-A1977 PolarHBondContact O-N 2.87Å; A1977-I1985 HydrophobicContact CB-CD1 4.35Å; A1977-A2005 HydrophobicContact CB-CB 4.15Å; A1977-A2005 VanDerWaalsContact CB-O 3.28Å; A1977-A2005 WeakPolarHBondContact CB-O 3.41Å; A1977-A2009 HydrophobicContact CB-CB 4.16Å; A1977-I2021 HydrophobicContact CB-CD1 4.44Å |
| 1978 | R | 87.3 | Confident | 82.8 | Confident | 81 Ų | 81 | 30.8 Ų | 30.8 | 31% | 0.306 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -66.7 | -41.2 | 176.4 | -174.7 | -166.2 | -75.1 | -141.6 | -12 | 112.1 | E1970 H1974 I1975 N1980 T2008 | E1970-R1978 IonicContact OE1-CZ 2.78Å; E1970-R1978 IonicContact OE1-NE 3.92Å; E1970-R1978 PolarHBondContact OE1-NE 2.72Å; E1970-R1978 IonicContact OE1-NH2 3.54Å; E1970-R1978 PolarHBondContact OE1-NH2 3.05Å; E1970-R1978 IonicContact OE2-CZ 2.66Å; E1970-R1978 VanDerWaalsContact OE2-CZ 3.29Å; E1970-R1978 IonicContact OE2-NE 3.84Å; E1970-R1978 PolarHBondContact OE2-NE 2.75Å; E1970-R1978 IonicContact OE2-NH1 3.54Å; E1970-R1978 IonicContact OE2-NH2 3.36Å; E1970-R1978 PolarHBondContact OE2-NH2 3.42Å; H1974-R1978 WeakPolarHBondContact O-CB 3.32Å; H1974-R1978 PolarHBondContact O-N 2.9Å; I1975-R1978 PolarHBondContact O-N 3.11Å; I1975-R1978 VanDerWaalsContact O-N 3.12Å; R1978-N1980 VanDerWaalsContact C-N 3.3Å; R1978-N1980 PolarHBondContact O-N 3.07Å; R1978-T2008 HydrophobicContact CB-CG2 3.81Å; R1978-T2008 HydrophobicContact CG-CG2 4.44Å |
| 1979 | F | 85.6 | Confident | 83.6 | Confident | 68 Ų | 68 | 28.8 Ų | 28.8 | 30% | 0.298 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 20.2 | -179.1 | -66.6 | -74.5 | 0 | 0 | 0 | 113.9 | Q1935 H1939 I1975 Q1981 | Q1935-F1979 HydrophobicContact CB-CE2 3.83Å; Q1935-F1979 HydrophobicContact CB-CZ 3.84Å; Q1935-F1979 HydrophobicContact CG-CE2 4.35Å; H1939-F1979 HydrophobicContact CB-CG 4.42Å; I1975-F1979 HydrophobicContact CG2-CD2 3.79Å; I1975-F1979 HydrophobicContact CG2-CE2 4.04Å; I1975-F1979 VanDerWaalsContact O-CD2 3.29Å; I1975-F1979 WeakPolarHBondContact O-CD2 3.26Å; I1975-F1979 PolarHBondContact O-N 3.18Å; F1979-Q1981 VanDerWaalsContact C-N 3.28Å; F1979-Q1981 HydrophobicContact CB-CG 4.28Å; F1979-Q1981 PolarHBondContact O-N 3.46Å |
| 1980 | N | 87 | Confident | 84 | Confident | 53 Ų | 53 | 33.4 Ų | 33.4 | 28% | 0.283 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 33.8 | 177.2 | -157.7 | 15.6 | 0 | 0 | 0 | 116.1 | S1976 R1978 D1982 A2014 E2016 S2017 | S1976-N1980 PolarHBondContact O-N 2.89Å; R1978-N1980 VanDerWaalsContact C-N 3.3Å; R1978-N1980 PolarHBondContact O-N 3.07Å; N1980-D1982 PolarHBondContact O-N 3.4Å; N1980-D1982 VanDerWaalsContact O-N 3.12Å; N1980-A2014 HydrophobicContact CB-CB 3.73Å; N1980-A2014 WeakPolarHBondContact OD1-CB 3.43Å; N1980-E2016 PolarHBondContact ND2-OE2 3.26Å; N1980-S2017 WeakPolarHBondContact CA-OG 3.25Å; N1980-S2017 PolarHBondContact O-OG 2.98Å; N1980-S2017 WeakPolarHBondContact OD1-CB 3.4Å; N1980-S2017 PolarHBondContact OD1-N 2.79Å; N1980-S2017 PolarHBondContact OD1-OG 3.49Å |
| 1981 | Q | 82.8 | Confident | 83.6 | Confident | 9 Ų | 9 | 34.7 Ų | 34.7 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | trans | -87.5 | 77.2 | -173.7 | -64.2 | -171.5 | -45.3 | 0 | 0 | 113.1 | H1939 N1943 S1976 F1979 K1983 A1984 I1985 S2017 | H1939-Q1981 PolarHBondContact CD2-NE2 3.06Å; H1939-Q1981 PolarHBondContact O-NE2 2.88Å; H1939-Q1981 VanDerWaalsContact O-NE2 3.11Å; N1943-Q1981 PolarHBondContact OD1-NE2 2.67Å; S1976-Q1981 PolarHBondContact O-N 3.24Å; F1979-Q1981 VanDerWaalsContact C-N 3.28Å; F1979-Q1981 HydrophobicContact CB-CG 4.28Å; F1979-Q1981 PolarHBondContact O-N 3.46Å; Q1981-K1983 VanDerWaalsContact C-N 3.33Å; Q1981-K1983 PolarHBondContact O-N 2.81Å; Q1981-A1984 HydrophobicContact CB-CB 3.63Å; Q1981-A1984 PolarHBondContact O-N 2.03Å; Q1981-I1985 WeakPolarHBondContact O-CG1 3.5Å; Q1981-I1985 PolarHBondContact O-N 2.75Å; Q1981-S2017 PolarHBondContact N-OG 3.37Å | ||
| 1982 | D | 83 | Confident | 83.2 | Confident | 56 Ų | 56 | 36.6 Ų | 36.6 | 30% | 0.299 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -40.8 | -52.4 | 178.6 | 75.1 | -39 | 0 | 0 | 0 | 114.3 | N1980 Y1986 E2016 A2020 | N1980-D1982 PolarHBondContact O-N 3.4Å; N1980-D1982 VanDerWaalsContact O-N 3.12Å; D1982-Y1986 WeakPolarHBondContact O-CB 3.21Å; D1982-Y1986 PolarHBondContact O-N 3.1Å; D1982-E2016 HydrophobicContact CB-CB 4.29Å; D1982-A2020 HydrophobicContact CB-CB 4.23Å |
| 1983 | K | 78.8 | Confident | 82.9 | Confident | 135 Ų | 135 | 35.4 Ų | 35.4 | 59% | 0.587 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -74.5 | -33.4 | -176.9 | -70.6 | 157.1 | -162.9 | 83.4 | 0 | 112.5 | Q1981 N1987 | Q1981-K1983 VanDerWaalsContact C-N 3.33Å; Q1981-K1983 PolarHBondContact O-N 2.81Å; K1983-N1987 VanDerWaalsContact O-CB 3.28Å; K1983-N1987 WeakPolarHBondContact O-CB 3.33Å; K1983-N1987 PolarHBondContact O-N 2.92Å; K1983-N1987 PolarHBondContact O-ND2 3.33Å |
| 1984 | A | 79.7 | Confident | 82.4 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 4% | 0.041 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.8 | -43.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | M1942 W1948 Q1981 N1987 L1988 | M1942-A1984 HydrophobicContact CB-CB 4.4Å; M1942-A1984 HydrophobicContact CE-CB 4.08Å; M1942-A1984 HydrophobicContact SD-CB 4.36Å; W1948-A1984 HydrophobicContact CZ2-CB 4.5Å; Q1981-A1984 HydrophobicContact CB-CB 3.63Å; Q1981-A1984 PolarHBondContact O-N 2.03Å; A1984-N1987 PolarHBondContact O-N 2.86Å; A1984-L1988 VanDerWaalsContact O-CB 3.31Å; A1984-L1988 WeakPolarHBondContact O-CB 3.35Å; A1984-L1988 WeakPolarHBondContact O-CG 3.01Å; A1984-L1988 PolarHBondContact O-N 2.76Å |
| 1985 | I | 85 | Confident | 81.9 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.9 | -53.3 | 172 | -66.4 | 167.8 | 0 | 0 | 0 | 110.4 | L1973 A1977 Q1981 N1987 L1988 L1989 S2017 A2020 I2021 | L1973-I1985 HydrophobicContact CD1-CB 4.43Å; L1973-I1985 HydrophobicContact CD1-CG1 4.36Å; L1973-I1985 HydrophobicContact CD1-CG2 4.17Å; A1977-I1985 HydrophobicContact CB-CD1 4.35Å; Q1981-I1985 WeakPolarHBondContact O-CG1 3.5Å; Q1981-I1985 PolarHBondContact O-N 2.75Å; I1985-N1987 VanDerWaalsContact C-N 3.29Å; I1985-N1987 PolarHBondContact O-N 2.61Å; I1985-L1988 PolarHBondContact O-N 2.76Å; I1985-L1989 HydrophobicContact CG2-CD1 3.74Å; I1985-L1989 HydrophobicContact CG2-CG 4.28Å; I1985-L1989 WeakPolarHBondContact O-CB 3.37Å; I1985-L1989 VanDerWaalsContact O-CG 3.29Å; I1985-L1989 WeakPolarHBondContact O-CG 3.03Å; I1985-L1989 PolarHBondContact O-N 3.14Å; I1985-S2017 VanDerWaalsContact CD1-OG 3.24Å; I1985-S2017 WeakPolarHBondContact CD1-OG 3.34Å; I1985-A2020 HydrophobicContact CB-CB 4.44Å; I1985-A2020 HydrophobicContact CG2-CB 4.19Å; I1985-I2021 HydrophobicContact CD1-CG1 4.43Å; I1985-I2021 HydrophobicContact CG2-CG1 3.75Å |
| 1986 | Y | 81 | Confident | 81.2 | Confident | 95 Ų | 95 | 42.2 Ų | 42.2 | 37% | 0.373 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.1 | -41.3 | -178.3 | -157.6 | -86.6 | 0 | 0 | 0 | 111.5 | D1982 N1990 H2024 | D1982-Y1986 WeakPolarHBondContact O-CB 3.21Å; D1982-Y1986 PolarHBondContact O-N 3.1Å; Y1986-N1990 WeakPolarHBondContact CD1-ND2 3.41Å; Y1986-N1990 WeakPolarHBondContact CE1-ND2 3.43Å; Y1986-N1990 WeakPolarHBondContact O-CB 3.5Å; Y1986-N1990 PolarHBondContact O-N 2.94Å; Y1986-N1990 VanDerWaalsContact O-N 3.09Å; Y1986-N1990 PolarHBondContact O-ND2 3.15Å; Y1986-H2024 AromaticContact CD2-CD2 3.54Å; Y1986-H2024 AromaticContact CE2-CD2 3.52Å; Y1986-H2024 AromaticContact CG-CD2 3.85Å; Y1986-H2024 AromaticContact CZ-CD2 3.83Å; Y1986-H2024 PolarHBondContact O-NE2 3.18Å |
| 1987 | N | 77.9 | Confident | 80.7 | Confident | 66 Ų | 66 | 43.2 Ų | 43.2 | 35% | 0.353 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -69.4 | -42.6 | 176.1 | -69.7 | -18.4 | 0 | 0 | 0 | 112.7 | W1948 K1983 A1984 I1985 L1989 N1990 V1991 | W1948-N1987 HydrophobicContact CD2-CB 4.39Å; W1948-N1987 HydrophobicContact CE3-CB 4.25Å; W1948-N1987 HydrophobicContact CH2-CB 3.4Å; W1948-N1987 VanDerWaalsContact CH2-CB 3.4Å; W1948-N1987 HydrophobicContact CZ2-CB 3.54Å; W1948-N1987 HydrophobicContact CZ3-CB 3.78Å; K1983-N1987 VanDerWaalsContact O-CB 3.28Å; K1983-N1987 WeakPolarHBondContact O-CB 3.33Å; K1983-N1987 PolarHBondContact O-N 2.92Å; K1983-N1987 PolarHBondContact O-ND2 3.33Å; A1984-N1987 PolarHBondContact O-N 2.86Å; I1985-N1987 VanDerWaalsContact C-N 3.29Å; I1985-N1987 PolarHBondContact O-N 2.61Å; N1987-L1989 PolarHBondContact O-N 3.02Å; N1987-N1990 PolarHBondContact O-N 3.13Å; N1987-V1991 VanDerWaalsContact O-CG2 3.27Å; N1987-V1991 WeakPolarHBondContact O-CG2 3.49Å; N1987-V1991 PolarHBondContact O-N 3.03Å |
| 1988 | L | 83.3 | Confident | 80.2 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.1 | -47 | 175.9 | -76.9 | 172.7 | 0 | 0 | 0 | 111.3 | M1942 W1948 L1961 L1972 L1973 A1984 I1985 V1991 G1992 A1993 | M1942-L1988 HydrophobicContact CE-CD1 4.09Å; M1942-L1988 HydrophobicContact CE-CD2 4.18Å; M1942-L1988 HydrophobicContact CE-CG 4.16Å; W1948-L1988 HydrophobicContact CH2-CD2 3.99Å; W1948-L1988 HydrophobicContact CH2-CG 4.02Å; W1948-L1988 HydrophobicContact CZ2-CD2 4.35Å; W1948-L1988 HydrophobicContact CZ2-CG 4.11Å; L1961-L1988 HydrophobicContact CD2-CD2 3.7Å; L1972-L1988 HydrophobicContact CD2-CD2 3.75Å; L1972-L1988 HydrophobicContact CG-CD1 4.21Å; L1972-L1988 HydrophobicContact CG-CD2 4.07Å; L1973-L1988 HydrophobicContact CB-CD1 4.22Å; L1973-L1988 HydrophobicContact CD1-CB 3.99Å; L1973-L1988 HydrophobicContact CD1-CD1 3.82Å; A1984-L1988 VanDerWaalsContact O-CB 3.31Å; A1984-L1988 WeakPolarHBondContact O-CB 3.35Å; A1984-L1988 WeakPolarHBondContact O-CG 3.01Å; A1984-L1988 PolarHBondContact O-N 2.76Å; I1985-L1988 PolarHBondContact O-N 2.76Å; L1988-V1991 CarbonylContact O-C 2.83Å; L1988-V1991 PolarHBondContact O-N 2.84Å; L1988-G1992 PolarHBondContact O-N 3.45Å; L1988-G1992 VanDerWaalsContact O-N 3.11Å; L1988-A1993 HydrophobicContact CB-CB 3.85Å; L1988-A1993 VanDerWaalsContact O-CB 3.27Å; L1988-A1993 WeakPolarHBondContact O-CB 3.22Å; L1988-A1993 PolarHBondContact O-N 3.34Å |
| 1989 | L | 83 | Confident | 79.9 | Confident | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.3 | -37.9 | -179.8 | -66.5 | 177.5 | 0 | 0 | 0 | 112.3 | L1973 I1985 N1987 V1991 G1992 F1995 H2024 | L1973-L1989 HydrophobicContact CD1-CD2 4.15Å; L1973-L1989 HydrophobicContact CD1-CG 4.22Å; L1973-L1989 HydrophobicContact CD2-CD2 3.86Å; I1985-L1989 HydrophobicContact CG2-CD1 3.74Å; I1985-L1989 HydrophobicContact CG2-CG 4.28Å; I1985-L1989 WeakPolarHBondContact O-CB 3.37Å; I1985-L1989 VanDerWaalsContact O-CG 3.29Å; I1985-L1989 WeakPolarHBondContact O-CG 3.03Å; I1985-L1989 PolarHBondContact O-N 3.14Å; N1987-L1989 PolarHBondContact O-N 3.02Å; L1989-V1991 VanDerWaalsContact C-N 3.34Å; L1989-G1992 PolarHBondContact O-N 2.78Å; L1989-F1995 HydrophobicContact CD2-CB 3.74Å; L1989-H2024 VanDerWaalsContact CB-CE1 3.47Å; L1989-H2024 WeakPolarHBondContact CB-CE1 3Å; L1989-H2024 HydrophobicContact CD1-CB 3.66Å |
| 1990 | N | 79.4 | Confident | 79.2 | Confident | 97 Ų | 97 | 41.7 Ų | 41.7 | 52% | 0.519 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.5 | -35 | 172.7 | -84.1 | -68.6 | 0 | 0 | 0 | 113 | Y1986 N1987 G1992 H2024 | Y1986-N1990 WeakPolarHBondContact CD1-ND2 3.41Å; Y1986-N1990 WeakPolarHBondContact CE1-ND2 3.43Å; Y1986-N1990 WeakPolarHBondContact O-CB 3.5Å; Y1986-N1990 PolarHBondContact O-N 2.94Å; Y1986-N1990 VanDerWaalsContact O-N 3.09Å; Y1986-N1990 PolarHBondContact O-ND2 3.15Å; N1987-N1990 PolarHBondContact O-N 3.13Å; N1990-G1992 PolarHBondContact O-N 2.82Å; N1990-H2024 VanDerWaalsContact CG-NE2 3.29Å; N1990-H2024 PolarHBondContact N-NE2 2.9Å; N1990-H2024 PolarHBondContact ND2-NE2 2.83Å |
| 1991 | V | 74.6 | Confident | 78.5 | Confident | 26 Ų | 26 | 44.6 Ų | 44.6 | 16% | 0.158 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 0.5 | 176.6 | -176.6 | 0 | 0 | 0 | 0 | 112 | Y1952 L1957 H1958 L1961 N1987 L1988 L1989 | Y1952-V1991 HydrophobicContact CD2-CG2 3.77Å; Y1952-V1991 HydrophobicContact CE2-CG2 3.76Å; L1957-V1991 HydrophobicContact CD2-CG1 3.6Å; L1957-V1991 HydrophobicContact CG-CG1 4.07Å; H1958-V1991 PolarHBondContact CE1-O 3.15Å; L1961-V1991 HydrophobicContact CD1-CG1 4.13Å; L1961-V1991 VanDerWaalsContact CD1-O 3.29Å; L1961-V1991 WeakPolarHBondContact CD1-O 3.4Å; L1961-V1991 HydrophobicContact CD2-CG1 4.35Å; N1987-V1991 VanDerWaalsContact O-CG2 3.27Å; N1987-V1991 WeakPolarHBondContact O-CG2 3.49Å; N1987-V1991 PolarHBondContact O-N 3.03Å; L1988-V1991 CarbonylContact O-C 2.83Å; L1988-V1991 PolarHBondContact O-N 2.84Å; L1989-V1991 VanDerWaalsContact C-N 3.34Å |
| 1992 | G | 75 | Confident | 78.1 | Confident | 41 Ų | 41 | 45 Ų | 45 | 42% | 0.423 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | 27.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1988 L1989 N1990 | L1988-G1992 PolarHBondContact O-N 3.45Å; L1988-G1992 VanDerWaalsContact O-N 3.11Å; L1989-G1992 PolarHBondContact O-N 2.78Å; N1990-G1992 PolarHBondContact O-N 2.82Å |
| 1993 | A | 78.2 | Confident | 77.9 | Confident | 5 Ų | 5 | 44.5 Ų | 44.5 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | trans | -60.9 | 137.3 | 158.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | L1961 L1988 F1995 | L1961-A1993 HydrophobicContact CB-CB 4.08Å; L1961-A1993 HydrophobicContact CD2-CB 4.25Å; L1988-A1993 HydrophobicContact CB-CB 3.85Å; L1988-A1993 VanDerWaalsContact O-CB 3.27Å; L1988-A1993 WeakPolarHBondContact O-CB 3.22Å; L1988-A1993 PolarHBondContact O-N 3.34Å; A1993-F1995 PolarHBondContact O-N 3.46Å | ||
| 1994 | D | 76.4 | Confident | 78.2 | Confident | 60 Ų | 60 | 38.7 Ų | 38.7 | 32% | 0.321 | 21% | 0.213 | S | C | . | . | trans | -89.4 | 109.9 | -177.2 | -179.3 | -1.9 | 0 | 0 | 0 | 110 | N1962 S1996 T1997 | N1962-D1994 VanDerWaalsContact ND2-CB 3.31Å; N1962-D1994 WeakPolarHBondContact ND2-CB 3.37Å; N1962-D1994 PolarHBondContact OD1-N 2.96Å; D1994-S1996 VanDerWaalsContact CG-OG 3.28Å; D1994-S1996 PolarHBondContact O-N 3.09Å; D1994-S1996 WeakPolarHBondContact OD1-CA 3.41Å; D1994-S1996 WeakPolarHBondContact OD1-CB 3.36Å; D1994-S1996 PolarHBondContact OD1-N 2.68Å; D1994-S1996 PolarHBondContact OD1-OG 2.7Å; D1994-S1996 PolarHBondContact OD2-OG 3.04Å; D1994-T1997 HydrophobicContact CB-CG2 3.96Å; D1994-T1997 WeakPolarHBondContact O-CB 3.19Å; D1994-T1997 WeakPolarHBondContact O-CG2 3.49Å; D1994-T1997 PolarHBondContact O-N 2.96Å; D1994-T1997 PolarHBondContact O-OG1 3.02Å | ||
| 1995 | F | 77.2 | Confident | 78.6 | Confident | 39 Ų | 39 | 38.5 Ų | 38.5 | 17% | 0.171 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -19.8 | 178.3 | 76.8 | -84.5 | 0 | 0 | 0 | 113.1 | L1973 L1989 A1993 T1997 T2026 P2031 | L1973-F1995 HydrophobicContact CD2-CB 4.36Å; L1989-F1995 HydrophobicContact CD2-CB 3.74Å; A1993-F1995 PolarHBondContact O-N 3.46Å; F1995-T1997 VanDerWaalsContact C-N 3.32Å; F1995-T2026 WeakPolarHBondContact CD1-O 3.44Å; F1995-T2026 WeakPolarHBondContact CE1-O 3.43Å; F1995-P2031 HydrophobicContact CD2-CG 4.46Å; F1995-P2031 HydrophobicContact CE2-CB 3.51Å; F1995-P2031 HydrophobicContact CE2-CG 3.31Å; F1995-P2031 HydrophobicContact CZ-CB 3.65Å; F1995-P2031 HydrophobicContact CZ-CG 3.46Å; F1995-P2031 VanDerWaalsContact CZ-CG 3.46Å |
| 1996 | S | 73 | Confident | 78.8 | Confident | 46 Ų | 46 | 38.9 Ų | 38.9 | 32% | 0.322 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -1 | 176 | 75.5 | 0 | 0 | 0 | 0 | 113.1 | D1994 V1998 | D1994-S1996 VanDerWaalsContact CG-OG 3.28Å; D1994-S1996 PolarHBondContact O-N 3.09Å; D1994-S1996 WeakPolarHBondContact OD1-CA 3.41Å; D1994-S1996 WeakPolarHBondContact OD1-CB 3.36Å; D1994-S1996 PolarHBondContact OD1-N 2.68Å; D1994-S1996 PolarHBondContact OD1-OG 2.7Å; D1994-S1996 PolarHBondContact OD2-OG 3.04Å; S1996-V1998 PolarHBondContact O-N 3.08Å |
| 1997 | T | 77.5 | Confident | 79.1 | Confident | 21 Ų | 21 | 35.5 Ų | 35.5 | 13% | 0.129 | 20% | 0.2 | C | C | . | . | trans | -57 | 139.6 | 166.8 | 51.9 | 0 | 0 | 0 | 0 | 110.3 | N1962 T1971 H1974 D1994 F1995 | N1962-T1997 HydrophobicContact CB-CG2 3.97Å; T1971-T1997 HydrophobicContact CG2-CG2 4.34Å; T1971-T1997 PolarHBondContact OG1-OG1 3.14Å; H1974-T1997 PolarHBondContact CE1-O 3.32Å; H1974-T1997 PolarHBondContact NE2-O 3.04Å; D1994-T1997 HydrophobicContact CB-CG2 3.96Å; D1994-T1997 WeakPolarHBondContact O-CB 3.19Å; D1994-T1997 WeakPolarHBondContact O-CG2 3.49Å; D1994-T1997 PolarHBondContact O-N 2.96Å; D1994-T1997 PolarHBondContact O-OG1 3.02Å; F1995-T1997 VanDerWaalsContact C-N 3.32Å | ||
| 1998 | V | 79.3 | Confident | 79.6 | Confident | 17 Ų | 17 | 32.5 Ų | 32.5 | 10% | 0.103 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -114.5 | 155.2 | 168.7 | -61.4 | 0 | 0 | 0 | 0 | 110.2 | R1964 S1996 G2002 R2003 T2004 | R1964-V1998 PolarHBondContact NE-O 3.12Å; R1964-V1998 PolarHBondContact NH2-O 3Å; S1996-V1998 PolarHBondContact O-N 3.08Å; V1998-G2002 WeakPolarHBondContact CG1-O 3.38Å; V1998-R2003 CarbonylContact C-O 3.05Å; V1998-R2003 WeakPolarHBondContact CA-O 3.37Å; V1998-R2003 VanDerWaalsContact CB-O 3.31Å; V1998-R2003 WeakPolarHBondContact CB-O 3.46Å; V1998-T2004 HydrophobicContact CG1-CG2 3.59Å |
| 1999 | D | 79.4 | Confident | 80 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | trans | -74.9 | -173.1 | 171 | 71.2 | 4.1 | 0 | 0 | 0 | 112.6 | R1964 G1969 E1970 H1974 Q2001 G2002 R2003 | R1964-D1999 VanDerWaalsContact CZ-C 3.47Å; R1964-D1999 PolarHBondContact NH2-O 3.19Å; G1969-D1999 WeakPolarHBondContact O-CA 3.44Å; G1969-D1999 WeakPolarHBondContact O-CB 2.81Å; E1970-D1999 HydrophobicContact CG-CB 4.17Å; H1974-D1999 PolarHBondContact NE2-N 3.38Å; D1999-Q2001 PolarHBondContact O-N 2.98Å; D1999-Q2001 WeakPolarHBondContact OD1-CA 3Å; D1999-Q2001 WeakPolarHBondContact OD1-CB 3.44Å; D1999-Q2001 PolarHBondContact OD1-N 3.24Å; D1999-G2002 PolarHBondContact O-N 3.08Å; D1999-G2002 PolarHBondContact OD1-N 2.63Å; D1999-R2003 PolarHBondContact N-O 3.03Å; D1999-R2003 PolarHBondContact OD1-N 3.29Å; D1999-R2003 IonicContact OD2-CZ 2.7Å; D1999-R2003 IonicContact OD2-NE 3.81Å; D1999-R2003 PolarHBondContact OD2-NE 3.12Å; D1999-R2003 IonicContact OD2-NH2 3.72Å; D1999-R2003 PolarHBondContact OD2-NH2 2.88Å | ||
| 2000 | N | 72 | Confident | 80.2 | Confident | 98 Ų | 98 | 32.3 Ų | 32.3 | 52% | 0.524 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -14.5 | 176.2 | -77.5 | -8.3 | 0 | 0 | 0 | 114.1 | R1964 G1969 | R1964-N2000 WeakPolarHBondContact CD-OD1 3.26Å; R1964-N2000 PolarHBondContact NH1-OD1 2.95Å; G1969-N2000 VanDerWaalsContact CA-ND2 3.27Å; G1969-N2000 WeakPolarHBondContact CA-ND2 3.46Å; G1969-N2000 PolarHBondContact O-N 2.82Å |
| 2001 | Q | 72.5 | Confident | 80.6 | Confident | 114 Ų | 114 | 29.3 Ų | 29.3 | 53% | 0.533 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -11 | 177 | -61.2 | -178.5 | -5.7 | 0 | 0 | 112 | D1999 R2003 L2039 | D1999-Q2001 PolarHBondContact O-N 2.98Å; D1999-Q2001 WeakPolarHBondContact OD1-CA 3Å; D1999-Q2001 WeakPolarHBondContact OD1-CB 3.44Å; D1999-Q2001 PolarHBondContact OD1-N 3.24Å; Q2001-R2003 HydrophobicContact CB-CG 4.37Å; Q2001-L2039 WeakPolarHBondContact O-CD2 3.38Å |
| 2002 | G | 73.7 | Confident | 81.3 | Confident | 18 Ų | 18 | 31.6 Ų | 31.6 | 19% | 0.186 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 91.4 | 5.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V1998 D1999 | V1998-G2002 WeakPolarHBondContact CG1-O 3.38Å; D1999-G2002 PolarHBondContact O-N 3.08Å; D1999-G2002 PolarHBondContact OD1-N 2.63Å |
| 2003 | R | 79.5 | Confident | 82 | Confident | 46 Ų | 46 | 32 Ų | 32 | 17% | 0.174 | 18% | 0.18 | C | C | . | . | trans | -74.7 | 138.1 | 174.6 | -57.4 | 179.8 | -63 | -156.1 | -4.7 | 109.1 | H1974 V1998 D1999 Q2001 Y2007 L2039 | H1974-R2003 PolarHBondContact NE2-O 3.21Å; V1998-R2003 CarbonylContact C-O 3.05Å; V1998-R2003 WeakPolarHBondContact CA-O 3.37Å; V1998-R2003 VanDerWaalsContact CB-O 3.31Å; V1998-R2003 WeakPolarHBondContact CB-O 3.46Å; D1999-R2003 PolarHBondContact N-O 3.03Å; D1999-R2003 PolarHBondContact OD1-N 3.29Å; D1999-R2003 IonicContact OD2-CZ 2.7Å; D1999-R2003 IonicContact OD2-NE 3.81Å; D1999-R2003 PolarHBondContact OD2-NE 3.12Å; D1999-R2003 IonicContact OD2-NH2 3.72Å; D1999-R2003 PolarHBondContact OD2-NH2 2.88Å; Q2001-R2003 HydrophobicContact CB-CG 4.37Å; R2003-Y2007 HydrophobicContact CB-CD1 3.85Å; R2003-Y2007 HydrophobicContact CB-CG 4.3Å; R2003-Y2007 HydrophobicContact CG-CD1 3.65Å; R2003-Y2007 HydrophobicContact CG-CE1 3.93Å; R2003-Y2007 HydrophobicContact CG-CG 4.41Å; R2003-L2039 HydrophobicContact CG-CD1 4.18Å; R2003-L2039 HydrophobicContact CG-CD2 3.62Å; R2003-L2039 HydrophobicContact CG-CG 4.44Å | ||
| 2004 | T | 84.9 | Confident | 82.5 | Confident | 12 Ų | 12 | 32 Ų | 32 | 7% | 0.074 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -84.2 | 163.7 | 167.2 | 54.6 | 0 | 0 | 0 | 0 | 111.3 | H1974 V1998 L2006 Y2007 T2008 L2035 | H1974-T2004 VanDerWaalsContact NE2-C 3.35Å; V1998-T2004 HydrophobicContact CG1-CG2 3.59Å; T2004-L2006 PolarHBondContact O-N 2.83Å; T2004-Y2007 WeakPolarHBondContact O-CA 3Å; T2004-Y2007 WeakPolarHBondContact O-CB 3.14Å; T2004-Y2007 PolarHBondContact O-N 2.94Å; T2004-Y2007 PolarHBondContact OG1-N 2.99Å; T2004-T2008 PolarHBondContact O-N 2.9Å; T2004-T2008 PolarHBondContact O-OG1 2.62Å; T2004-L2035 HydrophobicContact CG2-CD1 3.79Å; T2004-L2035 HydrophobicContact CG2-CD2 3.66Å; T2004-L2035 HydrophobicContact CG2-CG 4.39Å |
| 2005 | A | 87.5 | Confident | 83.1 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -54.7 | -34.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1973 H1974 A1977 T2008 A2009 I2021 | L1973-A2005 HydrophobicContact CD2-CB 4.01Å; L1973-A2005 HydrophobicContact CG-CB 3.86Å; H1974-A2005 PolarHBondContact CD2-N 3.12Å; H1974-A2005 PolarHBondContact NE2-N 3.09Å; H1974-A2005 VanDerWaalsContact NE2-N 3.18Å; A1977-A2005 HydrophobicContact CB-CB 4.15Å; A1977-A2005 VanDerWaalsContact CB-O 3.28Å; A1977-A2005 WeakPolarHBondContact CB-O 3.41Å; A2005-T2008 PolarHBondContact O-N 2.85Å; A2005-A2009 PolarHBondContact O-N 3.22Å; A2005-I2021 HydrophobicContact CB-CD1 4.39Å |
| 2006 | L | 89.8 | Confident | 83.6 | Confident | 9 Ų | 9 | 34.7 Ų | 34.7 | 5% | 0.047 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.2 | -42.3 | 173.2 | -178.4 | 61.2 | 0 | 0 | 0 | 112.1 | T2004 T2008 A2009 V2010 V2018 I2021 L2022 F2032 P2045 L2061 | T2004-L2006 PolarHBondContact O-N 2.83Å; L2006-T2008 VanDerWaalsContact C-N 3.29Å; L2006-T2008 PolarHBondContact O-N 2.82Å; L2006-A2009 PolarHBondContact O-N 3.4Å; L2006-V2010 HydrophobicContact CD1-CG2 4.31Å; L2006-V2010 WeakPolarHBondContact O-CG2 3.36Å; L2006-V2010 PolarHBondContact O-N 2.85Å; L2006-V2018 HydrophobicContact CD1-CB 4.44Å; L2006-V2018 HydrophobicContact CD1-CG1 4.1Å; L2006-V2018 HydrophobicContact CD1-CG2 4.25Å; L2006-I2021 HydrophobicContact CB-CD1 4.35Å; L2006-I2021 HydrophobicContact CB-CG2 4.33Å; L2006-I2021 HydrophobicContact CD1-CB 4.48Å; L2006-I2021 HydrophobicContact CD1-CD1 4.4Å; L2006-I2021 HydrophobicContact CD1-CG2 4.32Å; L2006-L2022 HydrophobicContact CD2-CD2 4.27Å; L2006-F2032 HydrophobicContact CD2-CD1 3.84Å; L2006-F2032 HydrophobicContact CD2-CE1 3.47Å; L2006-F2032 VanDerWaalsContact CD2-CE1 3.47Å; L2006-F2032 HydrophobicContact CD2-CZ 4.33Å; L2006-P2045 HydrophobicContact CD2-CB 4.42Å; L2006-P2045 HydrophobicContact CD2-CG 4.42Å; L2006-P2045 HydrophobicContact CG-CB 4.28Å; L2006-P2045 HydrophobicContact CG-CG 4.37Å; L2006-L2061 HydrophobicContact CD1-CD2 4.45Å; L2006-L2061 HydrophobicContact CD2-CD2 4.1Å |
| 2007 | Y | 87.8 | Confident | 84.4 | Confident | 24 Ų | 24 | 32.5 Ų | 32.5 | 9% | 0.094 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.7 | -43.4 | 173.7 | -171.2 | -80.7 | 0 | 0 | 0 | 110.7 | R2003 T2004 V2010 S2011 L2039 T2043 P2045 Q2048 | R2003-Y2007 HydrophobicContact CB-CD1 3.85Å; R2003-Y2007 HydrophobicContact CB-CG 4.3Å; R2003-Y2007 HydrophobicContact CG-CD1 3.65Å; R2003-Y2007 HydrophobicContact CG-CE1 3.93Å; R2003-Y2007 HydrophobicContact CG-CG 4.41Å; T2004-Y2007 WeakPolarHBondContact O-CA 3Å; T2004-Y2007 WeakPolarHBondContact O-CB 3.14Å; T2004-Y2007 PolarHBondContact O-N 2.94Å; T2004-Y2007 PolarHBondContact OG1-N 2.99Å; Y2007-V2010 PolarHBondContact O-N 3.05Å; Y2007-S2011 VanDerWaalsContact O-CB 3.28Å; Y2007-S2011 WeakPolarHBondContact O-CB 3.46Å; Y2007-S2011 PolarHBondContact O-N 3.47Å; Y2007-S2011 PolarHBondContact O-OG 2.84Å; Y2007-L2039 HydrophobicContact CD1-CD1 4.26Å; Y2007-L2039 HydrophobicContact CD2-CD1 3.76Å; Y2007-L2039 HydrophobicContact CE1-CD1 3.93Å; Y2007-L2039 HydrophobicContact CE2-CD1 3.37Å; Y2007-L2039 HydrophobicContact CG-CD1 4.18Å; Y2007-L2039 VanDerWaalsContact CZ-CD1 3.45Å; Y2007-T2043 PolarHBondContact OH-OG1 2.85Å; Y2007-P2045 HydrophobicContact CD2-CG 4.23Å; Y2007-Q2048 HydrophobicContact CD2-CB 4.47Å; Y2007-Q2048 HydrophobicContact CE1-CG 4.42Å; Y2007-Q2048 HydrophobicContact CE2-CB 3.86Å; Y2007-Q2048 HydrophobicContact CE2-CG 4.24Å; Y2007-Q2048 PolarHBondContact OH-OE1 3.15Å |
| 2008 | T | 88.4 | Confident | 84.9 | Confident | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.018 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.6 | -49.2 | 176.6 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | R1978 T2004 A2005 L2006 V2010 S2011 V2012 | R1978-T2008 HydrophobicContact CB-CG2 3.81Å; R1978-T2008 HydrophobicContact CG-CG2 4.44Å; T2004-T2008 PolarHBondContact O-N 2.9Å; T2004-T2008 PolarHBondContact O-OG1 2.62Å; A2005-T2008 PolarHBondContact O-N 2.85Å; L2006-T2008 VanDerWaalsContact C-N 3.29Å; L2006-T2008 PolarHBondContact O-N 2.82Å; T2008-V2010 PolarHBondContact O-N 3.4Å; T2008-S2011 WeakPolarHBondContact CA-OG 3.02Å; T2008-S2011 PolarHBondContact O-N 3.17Å; T2008-S2011 PolarHBondContact O-OG 2.83Å; T2008-V2012 PolarHBondContact O-N 3.32Å |
| 2009 | A | 90.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.1 | -45.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1977 A2005 L2006 V2012 S2013 A2014 V2018 I2021 | A1977-A2009 HydrophobicContact CB-CB 4.16Å; A2005-A2009 PolarHBondContact O-N 3.22Å; L2006-A2009 PolarHBondContact O-N 3.4Å; A2009-V2012 PolarHBondContact O-N 3.49Å; A2009-S2013 PolarHBondContact O-N 3.27Å; A2009-A2014 HydrophobicContact CB-CB 4.33Å; A2009-A2014 PolarHBondContact O-N 3.48Å; A2009-V2018 HydrophobicContact CB-CG2 3.81Å; A2009-I2021 HydrophobicContact CB-CD1 4.39Å |
| 2010 | V | 87.7 | Confident | 85.5 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.1 | -41 | 176.3 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | L2006 Y2007 T2008 V2012 S2013 V2018 P2045 Q2048 A2049 L2052 I2057 L2061 | L2006-V2010 HydrophobicContact CD1-CG2 4.31Å; L2006-V2010 WeakPolarHBondContact O-CG2 3.36Å; L2006-V2010 PolarHBondContact O-N 2.85Å; Y2007-V2010 PolarHBondContact O-N 3.05Å; T2008-V2010 PolarHBondContact O-N 3.4Å; V2010-V2012 PolarHBondContact O-N 2.04Å; V2010-V2012 VanDerWaalsContact O-N 3.08Å; V2010-S2013 PolarHBondContact O-N 3.32Å; V2010-V2018 HydrophobicContact CG2-CG2 3.83Å; V2010-P2045 WeakPolarHBondContact CG1-O 3.31Å; V2010-P2045 HydrophobicContact CG2-CB 4.2Å; V2010-Q2048 HydrophobicContact CG1-CB 4.16Å; V2010-Q2048 HydrophobicContact CG1-CG 4.23Å; V2010-A2049 HydrophobicContact CG1-CB 3.92Å; V2010-L2052 WeakPolarHBondContact O-CD1 3.05Å; V2010-I2057 HydrophobicContact CB-CG2 4.43Å; V2010-I2057 HydrophobicContact CG1-CG2 4.05Å; V2010-I2057 HydrophobicContact CG2-CG2 3.83Å; V2010-L2061 HydrophobicContact CG2-CD1 4.12Å |
| 2011 | S | 87.7 | Confident | 86.2 | Confident | 34 Ų | 34 | 31.9 Ų | 31.9 | 24% | 0.238 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.5 | -16.5 | -176.9 | 72.5 | 0 | 0 | 0 | 0 | 114.7 | Y2007 T2008 | Y2007-S2011 VanDerWaalsContact O-CB 3.28Å; Y2007-S2011 WeakPolarHBondContact O-CB 3.46Å; Y2007-S2011 PolarHBondContact O-N 3.47Å; Y2007-S2011 PolarHBondContact O-OG 2.84Å; T2008-S2011 WeakPolarHBondContact CA-OG 3.02Å; T2008-S2011 PolarHBondContact O-N 3.17Å; T2008-S2011 PolarHBondContact O-OG 2.83Å |
| 2012 | V | 89.2 | Confident | 86.7 | Confident | 73 Ų | 73 | 28.1 Ų | 28.1 | 44% | 0.442 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | 9 | 176 | -55.8 | 0 | 0 | 0 | 0 | 113.2 | T2008 A2009 V2010 A2014 | T2008-V2012 PolarHBondContact O-N 3.32Å; A2009-V2012 PolarHBondContact O-N 3.49Å; V2010-V2012 PolarHBondContact O-N 2.04Å; V2010-V2012 VanDerWaalsContact O-N 3.08Å; V2012-A2014 VanDerWaalsContact C-N 3.31Å; V2012-A2014 HydrophobicContact CG2-CB 3.77Å; V2012-A2014 PolarHBondContact O-N 3.03Å |
| 2013 | S | 89.3 | Confident | 87.1 | Confident | 50 Ų | 50 | 30.9 Ų | 30.9 | 35% | 0.35 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 36.8 | -174.8 | -52 | 0 | 0 | 0 | 0 | 115.3 | A2009 V2010 I2015 D2054 | A2009-S2013 PolarHBondContact O-N 3.27Å; V2010-S2013 PolarHBondContact O-N 3.32Å; S2013-I2015 VanDerWaalsContact C-N 3.35Å; S2013-I2015 PolarHBondContact O-N 3.02Å; S2013-D2054 WeakPolarHBondContact CB-OD2 3.36Å; S2013-D2054 PolarHBondContact OG-OD2 2.88Å |
| 2014 | A | 90.1 | Very high | 87.2 | Confident | 4 Ų | 4 | 28.9 Ų | 28.9 | 3% | 0.033 | 16% | 0.162 | C | C | . | . | trans | -77.7 | 76.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N1980 A2009 V2012 E2016 S2017 V2018 | N1980-A2014 HydrophobicContact CB-CB 3.73Å; N1980-A2014 WeakPolarHBondContact OD1-CB 3.43Å; A2009-A2014 HydrophobicContact CB-CB 4.33Å; A2009-A2014 PolarHBondContact O-N 3.48Å; V2012-A2014 VanDerWaalsContact C-N 3.31Å; V2012-A2014 HydrophobicContact CG2-CB 3.77Å; V2012-A2014 PolarHBondContact O-N 3.03Å; A2014-E2016 PolarHBondContact O-N 3.04Å; A2014-S2017 WeakPolarHBondContact O-CB 3.23Å; A2014-S2017 PolarHBondContact O-N 2.94Å; A2014-S2017 VanDerWaalsContact O-N 3.11Å; A2014-V2018 WeakPolarHBondContact O-CG2 3.47Å; A2014-V2018 PolarHBondContact O-N 2.7Å | ||
| 2015 | I | 88.5 | Confident | 86.3 | Confident | 57 Ų | 57 | 33.3 Ų | 33.3 | 29% | 0.292 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.9 | -41.1 | -168.5 | -168.4 | 165.3 | 0 | 0 | 0 | 114 | S2013 S2017 V2018 Q2019 D2056 I2057 M2060 | S2013-I2015 VanDerWaalsContact C-N 3.35Å; S2013-I2015 PolarHBondContact O-N 3.02Å; I2015-S2017 VanDerWaalsContact C-N 3.27Å; I2015-S2017 PolarHBondContact O-N 3.15Å; I2015-V2018 PolarHBondContact O-N 2.7Å; I2015-Q2019 WeakPolarHBondContact O-CB 3.49Å; I2015-Q2019 PolarHBondContact O-N 2.72Å; I2015-D2056 HydrophobicContact CD1-CB 3.95Å; I2015-I2057 HydrophobicContact CB-CD1 4.29Å; I2015-I2057 HydrophobicContact CB-CG1 4.19Å; I2015-I2057 HydrophobicContact CD1-CG1 4.31Å; I2015-I2057 HydrophobicContact CG1-CG1 4.07Å; I2015-M2060 HydrophobicContact CD1-CE 4.04Å; I2015-M2060 HydrophobicContact CG1-CE 3.56Å |
| 2016 | E | 87.3 | Confident | 85 | Confident | 99 Ų | 99 | 36.4 Ų | 36.4 | 46% | 0.463 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.5 | -31.2 | 176 | -62.5 | 92.4 | 146.8 | 0 | 0 | 112.1 | N1980 D1982 A2014 Q2019 A2020 | N1980-E2016 PolarHBondContact ND2-OE2 3.26Å; D1982-E2016 HydrophobicContact CB-CB 4.29Å; A2014-E2016 PolarHBondContact O-N 3.04Å; E2016-Q2019 PolarHBondContact O-N 3.09Å; E2016-A2020 VanDerWaalsContact O-CB 3.29Å; E2016-A2020 WeakPolarHBondContact O-CB 3.12Å; E2016-A2020 PolarHBondContact O-N 3.01Å |
| 2017 | S | 89.9 | Confident | 83.5 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -78.2 | -36 | 175.6 | -68.5 | 0 | 0 | 0 | 0 | 113.2 | N1980 Q1981 I1985 A2014 I2015 Q2019 A2020 I2021 | N1980-S2017 WeakPolarHBondContact CA-OG 3.25Å; N1980-S2017 PolarHBondContact O-OG 2.98Å; N1980-S2017 WeakPolarHBondContact OD1-CB 3.4Å; N1980-S2017 PolarHBondContact OD1-N 2.79Å; N1980-S2017 PolarHBondContact OD1-OG 3.49Å; Q1981-S2017 PolarHBondContact N-OG 3.37Å; I1985-S2017 VanDerWaalsContact CD1-OG 3.24Å; I1985-S2017 WeakPolarHBondContact CD1-OG 3.34Å; A2014-S2017 WeakPolarHBondContact O-CB 3.23Å; A2014-S2017 PolarHBondContact O-N 2.94Å; A2014-S2017 VanDerWaalsContact O-N 3.11Å; I2015-S2017 VanDerWaalsContact C-N 3.27Å; I2015-S2017 PolarHBondContact O-N 3.15Å; S2017-Q2019 VanDerWaalsContact C-N 3.29Å; S2017-A2020 PolarHBondContact O-N 3.45Å; S2017-I2021 WeakPolarHBondContact O-CB 3.28Å; S2017-I2021 VanDerWaalsContact O-CG1 3.24Å; S2017-I2021 WeakPolarHBondContact O-CG1 3.02Å; S2017-I2021 PolarHBondContact O-N 2.85Å |
| 2018 | V | 88.7 | Confident | 81.6 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.4 | -47.6 | 165.9 | 174.5 | 0 | 0 | 0 | 0 | 109.1 | L2006 A2009 V2010 A2014 I2015 A2020 I2021 L2022 I2057 M2060 | L2006-V2018 HydrophobicContact CD1-CB 4.44Å; L2006-V2018 HydrophobicContact CD1-CG1 4.1Å; L2006-V2018 HydrophobicContact CD1-CG2 4.25Å; A2009-V2018 HydrophobicContact CB-CG2 3.81Å; V2010-V2018 HydrophobicContact CG2-CG2 3.83Å; A2014-V2018 WeakPolarHBondContact O-CG2 3.47Å; A2014-V2018 PolarHBondContact O-N 2.7Å; I2015-V2018 PolarHBondContact O-N 2.7Å; V2018-A2020 PolarHBondContact O-N 2.77Å; V2018-I2021 PolarHBondContact O-N 2.98Å; V2018-L2022 HydrophobicContact CG1-CD1 3.61Å; V2018-L2022 HydrophobicContact CG1-CG 4.33Å; V2018-L2022 WeakPolarHBondContact O-CB 2.99Å; V2018-L2022 WeakPolarHBondContact O-CG 3.41Å; V2018-L2022 PolarHBondContact O-N 2.7Å; V2018-I2057 HydrophobicContact CG1-CG2 4.42Å; V2018-I2057 HydrophobicContact CG2-CD1 4.3Å; V2018-I2057 HydrophobicContact CG2-CG2 4.32Å; V2018-M2060 HydrophobicContact CB-SD 4.3Å; V2018-M2060 HydrophobicContact CG1-SD 3.77Å |
| 2019 | Q | 85.6 | Confident | 79.5 | Confident | 113 Ų | 113 | 41.6 Ų | 41.6 | 53% | 0.528 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.2 | -41.8 | 177.5 | -170.2 | 171.8 | -19.6 | 0 | 0 | 113.1 | I2015 E2016 S2017 L2022 S2023 M2060 | I2015-Q2019 WeakPolarHBondContact O-CB 3.49Å; I2015-Q2019 PolarHBondContact O-N 2.72Å; E2016-Q2019 PolarHBondContact O-N 3.09Å; S2017-Q2019 VanDerWaalsContact C-N 3.29Å; Q2019-L2022 PolarHBondContact O-N 2.82Å; Q2019-S2023 VanDerWaalsContact O-CB 3.26Å; Q2019-S2023 WeakPolarHBondContact O-CB 3.01Å; Q2019-S2023 PolarHBondContact O-N 2.91Å; Q2019-S2023 PolarHBondContact O-OG 3.04Å; Q2019-M2060 HydrophobicContact CB-CE 4.02Å; Q2019-M2060 HydrophobicContact CB-SD 3.72Å; Q2019-M2060 HydrophobicContact CG-CE 4.47Å; Q2019-M2060 HydrophobicContact CG-SD 4.31Å |
| 2020 | A | 84.5 | Confident | 77 | Confident | 8 Ų | 8 | 45.6 Ų | 45.6 | 7% | 0.066 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65 | -41.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D1982 I1985 E2016 S2017 V2018 S2023 H2024 | D1982-A2020 HydrophobicContact CB-CB 4.23Å; I1985-A2020 HydrophobicContact CB-CB 4.44Å; I1985-A2020 HydrophobicContact CG2-CB 4.19Å; E2016-A2020 VanDerWaalsContact O-CB 3.29Å; E2016-A2020 WeakPolarHBondContact O-CB 3.12Å; E2016-A2020 PolarHBondContact O-N 3.01Å; S2017-A2020 PolarHBondContact O-N 3.45Å; V2018-A2020 PolarHBondContact O-N 2.77Å; A2020-S2023 PolarHBondContact O-OG 3.28Å; A2020-H2024 WeakPolarHBondContact O-CB 3.36Å; A2020-H2024 PolarHBondContact O-N 3.49Å |
| 2021 | I | 87.7 | Confident | 74.6 | Confident | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.8 | -46.3 | 174.7 | -66 | 168.7 | 0 | 0 | 0 | 110.7 | A1977 I1985 A2005 L2006 A2009 S2017 V2018 S2023 S2027 | A1977-I2021 HydrophobicContact CB-CD1 4.44Å; I1985-I2021 HydrophobicContact CD1-CG1 4.43Å; I1985-I2021 HydrophobicContact CG2-CG1 3.75Å; A2005-I2021 HydrophobicContact CB-CD1 4.39Å; L2006-I2021 HydrophobicContact CB-CD1 4.35Å; L2006-I2021 HydrophobicContact CB-CG2 4.33Å; L2006-I2021 HydrophobicContact CD1-CB 4.48Å; L2006-I2021 HydrophobicContact CD1-CD1 4.4Å; L2006-I2021 HydrophobicContact CD1-CG2 4.32Å; A2009-I2021 HydrophobicContact CB-CD1 4.39Å; S2017-I2021 WeakPolarHBondContact O-CB 3.28Å; S2017-I2021 VanDerWaalsContact O-CG1 3.24Å; S2017-I2021 WeakPolarHBondContact O-CG1 3.02Å; S2017-I2021 PolarHBondContact O-N 2.85Å; V2018-I2021 PolarHBondContact O-N 2.98Å; I2021-S2023 PolarHBondContact O-N 3.42Å; I2021-S2027 VanDerWaalsContact O-CB 3.24Å; I2021-S2027 WeakPolarHBondContact O-CB 3.25Å; I2021-S2027 PolarHBondContact O-OG 3.24Å |
| 2022 | L | 83.4 | Confident | 72.6 | Confident | 35 Ų | 35 | 47 Ų | 47 | 18% | 0.183 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -72.6 | -25.4 | -175.6 | -67.2 | 174.4 | 0 | 0 | 0 | 113.6 | L2006 V2018 Q2019 F2032 M2060 L2061 A2064 | L2006-L2022 HydrophobicContact CD2-CD2 4.27Å; V2018-L2022 HydrophobicContact CG1-CD1 3.61Å; V2018-L2022 HydrophobicContact CG1-CG 4.33Å; V2018-L2022 WeakPolarHBondContact O-CB 2.99Å; V2018-L2022 WeakPolarHBondContact O-CG 3.41Å; V2018-L2022 PolarHBondContact O-N 2.7Å; Q2019-L2022 PolarHBondContact O-N 2.82Å; L2022-F2032 HydrophobicContact CD2-CE1 4.3Å; L2022-F2032 HydrophobicContact CD2-CE2 3.94Å; L2022-F2032 HydrophobicContact CD2-CZ 3.69Å; L2022-M2060 HydrophobicContact CD1-CG 3.96Å; L2022-M2060 HydrophobicContact CD1-SD 4.21Å; L2022-L2061 HydrophobicContact CD1-CD2 4.19Å; L2022-A2064 HydrophobicContact CB-CB 4.44Å; L2022-A2064 HydrophobicContact CD1-CB 3.93Å; L2022-A2064 HydrophobicContact CD2-CB 3.91Å; L2022-A2064 HydrophobicContact CG-CB 4.31Å |
| 2023 | S | 81.1 | Confident | 70.1 | Confident | 76 Ų | 76 | 45.6 Ų | 45.6 | 53% | 0.531 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -90.6 | -15.9 | 178.4 | 59.7 | 0 | 0 | 0 | 0 | 114.6 | Q2019 A2020 I2021 | Q2019-S2023 VanDerWaalsContact O-CB 3.26Å; Q2019-S2023 WeakPolarHBondContact O-CB 3.01Å; Q2019-S2023 PolarHBondContact O-N 2.91Å; Q2019-S2023 PolarHBondContact O-OG 3.04Å; A2020-S2023 PolarHBondContact O-OG 3.28Å; I2021-S2023 PolarHBondContact O-N 3.42Å |
| 2024 | H | 81.1 | Confident | 67.5 | Low | 3 Ų | 3 | 51.4 Ų | 51.4 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -73.5 | 126 | -179.6 | -162.3 | -83.1 | 0 | 0 | 0 | 111.4 | Y1986 L1989 N1990 A2020 T2026 S2027 | Y1986-H2024 AromaticContact CD2-CD2 3.54Å; Y1986-H2024 AromaticContact CE2-CD2 3.52Å; Y1986-H2024 AromaticContact CG-CD2 3.85Å; Y1986-H2024 AromaticContact CZ-CD2 3.83Å; Y1986-H2024 PolarHBondContact O-NE2 3.18Å; L1989-H2024 VanDerWaalsContact CB-CE1 3.47Å; L1989-H2024 WeakPolarHBondContact CB-CE1 3Å; L1989-H2024 HydrophobicContact CD1-CB 3.66Å; N1990-H2024 VanDerWaalsContact CG-NE2 3.29Å; N1990-H2024 PolarHBondContact N-NE2 2.9Å; N1990-H2024 PolarHBondContact ND2-NE2 2.83Å; A2020-H2024 WeakPolarHBondContact O-CB 3.36Å; A2020-H2024 PolarHBondContact O-N 3.49Å; H2024-T2026 PolarHBondContact CE1-OG1 3.01Å; H2024-T2026 PolarHBondContact ND1-N 3.48Å; H2024-T2026 PolarHBondContact ND1-OG1 3.11Å; H2024-T2026 PolarHBondContact O-N 2.9Å; H2024-S2027 PolarHBondContact O-N 2.83Å; H2024-S2027 PolarHBondContact O-OG 3.01Å |
| 2025 | P | 65.7 | Low | 65.1 | Low | 106 Ų | 106 | 54 Ų | 54 | 69% | 0.688 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -8.7 | -170.5 | 24.7 | -35.4 | 0 | 0 | 0 | 115.4 | ||
| 2026 | T | 61.4 | Low | 62.4 | Low | 66 Ų | 66 | 56.6 Ų | 56.6 | 41% | 0.405 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -13.9 | 174.5 | 59.8 | 0 | 0 | 0 | 0 | 114.5 | F1995 H2024 G2028 | F1995-T2026 WeakPolarHBondContact CD1-O 3.44Å; F1995-T2026 WeakPolarHBondContact CE1-O 3.43Å; H2024-T2026 PolarHBondContact CE1-OG1 3.01Å; H2024-T2026 PolarHBondContact ND1-N 3.48Å; H2024-T2026 PolarHBondContact ND1-OG1 3.11Å; H2024-T2026 PolarHBondContact O-N 2.9Å; T2026-G2028 VanDerWaalsContact C-N 3.3Å |
| 2027 | S | 58.1 | Low | 59.9 | Low | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -86.8 | 3.3 | 177.4 | 68.7 | 0 | 0 | 0 | 0 | 113.9 | I2021 H2024 L2029 P2031 F2032 | I2021-S2027 VanDerWaalsContact O-CB 3.24Å; I2021-S2027 WeakPolarHBondContact O-CB 3.25Å; I2021-S2027 PolarHBondContact O-OG 3.24Å; H2024-S2027 PolarHBondContact O-N 2.83Å; H2024-S2027 PolarHBondContact O-OG 3.01Å; S2027-L2029 PolarHBondContact O-N 3Å; S2027-P2031 WeakPolarHBondContact O-CG 3.38Å; S2027-F2032 WeakPolarHBondContact O-CE2 3.02Å |
| 2028 | G | 47.8 | Very low | 57.8 | Low | 41 Ų | 41 | 62.3 Ų | 62.3 | 42% | 0.423 | 36% | 0.355 | S | S | . | . | trans | -50 | 103.7 | -159.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | T2026 S2030 P2031 | T2026-G2028 VanDerWaalsContact C-N 3.3Å; G2028-S2030 VanDerWaalsContact C-N 3.28Å; G2028-S2030 PolarHBondContact O-N 2.84Å; G2028-P2031 WeakPolarHBondContact O-CD 3.41Å | ||
| 2029 | L | 43.9 | Very low | 56 | Low | 101 Ų | 101 | 63.3 Ų | 63.3 | 53% | 0.529 | 36% | 0.36 | S | S | . | . | S | Bend | trans | 40.5 | -44.9 | 166.4 | -70.9 | 95.8 | 0 | 0 | 0 | 120.9 | S2027 A2064 | S2027-L2029 PolarHBondContact O-N 3Å; L2029-A2064 VanDerWaalsContact CD2-O 3.27Å; L2029-A2064 WeakPolarHBondContact CD2-O 3.4Å |
| 2030 | S | 38.8 | Very low | 54.1 | Low | 84 Ų | 84 | 66.5 Ų | 66.5 | 59% | 0.587 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -61.8 | -34 | -178.5 | 65.8 | 0 | 0 | 0 | 0 | 116.1 | G2028 F2032 C2033 Y2034 | G2028-S2030 VanDerWaalsContact C-N 3.28Å; G2028-S2030 PolarHBondContact O-N 2.84Å; S2030-F2032 PolarHBondContact O-N 3.13Å; S2030-C2033 PolarHBondContact O-N 2.04Å; S2030-Y2034 PolarHBondContact O-N 3.44Å |
| 2031 | P | 36.1 | Very low | 52.4 | Low | 16 Ų | 16 | 70.4 Ų | 70.4 | 10% | 0.104 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -77.3 | -22.5 | -174.1 | 32.8 | -37.4 | 0 | 0 | 0 | 112.9 | F1995 S2027 G2028 C2033 Y2034 L2035 | F1995-P2031 HydrophobicContact CD2-CG 4.46Å; F1995-P2031 HydrophobicContact CE2-CB 3.51Å; F1995-P2031 HydrophobicContact CE2-CG 3.31Å; F1995-P2031 HydrophobicContact CZ-CB 3.65Å; F1995-P2031 HydrophobicContact CZ-CG 3.46Å; F1995-P2031 VanDerWaalsContact CZ-CG 3.46Å; S2027-P2031 WeakPolarHBondContact O-CG 3.38Å; G2028-P2031 WeakPolarHBondContact O-CD 3.41Å; P2031-C2033 PolarHBondContact O-N 2.88Å; P2031-C2033 VanDerWaalsContact O-N 3.09Å; P2031-Y2034 CarbonylContact O-C 3.56Å; P2031-Y2034 VanDerWaalsContact O-C 3.31Å; P2031-Y2034 PolarHBondContact O-N 2.79Å; P2031-L2035 WeakPolarHBondContact O-CG 3.37Å; P2031-L2035 PolarHBondContact O-N 2.82Å |
| 2032 | F | 46.6 | Very low | 50.7 | Low | 47 Ų | 47 | 73 Ų | 73 | 21% | 0.206 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -65.2 | -11.1 | 172.3 | -52.1 | -53.5 | 0 | 0 | 0 | 112.9 | L2006 L2022 S2027 S2030 | L2006-F2032 HydrophobicContact CD2-CD1 3.84Å; L2006-F2032 HydrophobicContact CD2-CE1 3.47Å; L2006-F2032 VanDerWaalsContact CD2-CE1 3.47Å; L2006-F2032 HydrophobicContact CD2-CZ 4.33Å; L2022-F2032 HydrophobicContact CD2-CE1 4.3Å; L2022-F2032 HydrophobicContact CD2-CE2 3.94Å; L2022-F2032 HydrophobicContact CD2-CZ 3.69Å; S2027-F2032 WeakPolarHBondContact O-CE2 3.02Å; S2030-F2032 PolarHBondContact O-N 3.13Å |
| 2033 | C | 36.9 | Very low | 49.6 | Very low | 44 Ų | 44 | 72 Ų | 72 | 30% | 0.297 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -111.7 | -8.6 | 174.9 | -56.3 | 0 | 0 | 0 | 0 | 113.3 | S2030 P2031 C2070 | S2030-C2033 PolarHBondContact O-N 2.04Å; P2031-C2033 PolarHBondContact O-N 2.88Å; P2031-C2033 VanDerWaalsContact O-N 3.09Å; C2033-C2070 HydrophobicContact CB-CB 3.63Å; C2033-C2070 WeakPolarHBondContact CB-SG 3.38Å; C2033-C2070 WeakPolarHBondContact SG-CB 3.48Å; C2033-C2070 CovalentContact SG-SG 2.02Å; C2033-C2070 PolarHBondContact SG-SG 3.28Å |
| 2034 | Y | 34.3 | Very low | 49.2 | Very low | 173 Ų | 173 | 71.4 Ų | 71.4 | 68% | 0.678 | 40% | 0.402 | S | S | * | . | trans | -138.3 | 53.9 | -174.4 | -77.1 | -82.2 | 0 | 0 | 0 | 110.9 | S2030 P2031 P2036 | S2030-Y2034 PolarHBondContact O-N 3.44Å; P2031-Y2034 CarbonylContact O-C 3.56Å; P2031-Y2034 VanDerWaalsContact O-C 3.31Å; P2031-Y2034 PolarHBondContact O-N 2.79Å; Y2034-P2036 WeakPolarHBondContact O-CD 3.44Å | ||
| 2035 | L | 39.3 | Very low | 48.9 | Very low | 58 Ų | 58 | 72.5 Ų | 72.5 | 30% | 0.304 | 41% | 0.41 | S | S | . | . | trans | -103.1 | 85.5 | 162.5 | -88.2 | 158.6 | 0 | 0 | 0 | 108.8 | T2004 P2031 N2037 | T2004-L2035 HydrophobicContact CG2-CD1 3.79Å; T2004-L2035 HydrophobicContact CG2-CD2 3.66Å; T2004-L2035 HydrophobicContact CG2-CG 4.39Å; P2031-L2035 WeakPolarHBondContact O-CG 3.37Å; P2031-L2035 PolarHBondContact O-N 2.82Å; L2035-N2037 PolarHBondContact O-N 2.99Å | ||
| 2036 | P | 32.1 | Very low | 49.4 | Very low | 112 Ų | 112 | 69.1 Ų | 69.1 | 73% | 0.727 | 39% | 0.386 | S | S | * | . | trans | -77.7 | 47.3 | 176.2 | 36.4 | -38.6 | 0 | 0 | 0 | 111.5 | Y2034 | Y2034-P2036 WeakPolarHBondContact O-CD 3.44Š| ||
| 2037 | N | 34.2 | Very low | 49.8 | Very low | 101 Ų | 101 | 69.5 Ų | 69.5 | 54% | 0.54 | 38% | 0.384 | S | S | . | . | trans | -133.9 | 87.2 | 169.9 | -83.4 | -49.9 | 0 | 0 | 0 | 106.8 | L2035 | L2035-N2037 PolarHBondContact O-N 2.99Š| ||
| 2038 | I | 46.5 | Very low | 51 | Low | 117 Ų | 117 | 70.8 Ų | 70.8 | 60% | 0.6 | 39% | 0.39 | S | S | * | . | trans | -73.9 | 126.1 | 178.1 | -55.8 | 179.2 | 0 | 0 | 0 | 106.4 | S2042 | I2038-S2042 VanDerWaalsContact CG2-OG 3.31Å; I2038-S2042 WeakPolarHBondContact CG2-OG 2.97Å | ||
| 2039 | L | 51.6 | Low | 52.4 | Low | 22 Ų | 22 | 68.9 Ų | 68.9 | 12% | 0.115 | 37% | 0.37 | C | S | . | . | trans | -53.4 | 154.3 | 167.6 | -85.8 | 159.5 | 0 | 0 | 0 | 109.7 | Q2001 R2003 Y2007 D2041 S2042 T2043 | Q2001-L2039 WeakPolarHBondContact O-CD2 3.38Å; R2003-L2039 HydrophobicContact CG-CD1 4.18Å; R2003-L2039 HydrophobicContact CG-CD2 3.62Å; R2003-L2039 HydrophobicContact CG-CG 4.44Å; Y2007-L2039 HydrophobicContact CD1-CD1 4.26Å; Y2007-L2039 HydrophobicContact CD2-CD1 3.76Å; Y2007-L2039 HydrophobicContact CE1-CD1 3.93Å; Y2007-L2039 HydrophobicContact CE2-CD1 3.37Å; Y2007-L2039 HydrophobicContact CG-CD1 4.18Å; Y2007-L2039 VanDerWaalsContact CZ-CD1 3.45Å; L2039-D2041 PolarHBondContact O-N 2.94Å; L2039-S2042 PolarHBondContact O-N 2.86Å; L2039-T2043 VanDerWaalsContact CD1-OG1 3.31Å; L2039-T2043 WeakPolarHBondContact CD1-OG1 3.41Å | ||
| 2040 | Q | 45.4 | Very low | 53.7 | Low | 179 Ų | 179 | 67.5 Ų | 67.5 | 84% | 0.836 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -33.1 | 177.4 | -73.4 | 173.3 | -52.7 | 0 | 0 | 112.2 | Y2083 | Q2040-Y2083 PolarHBondContact O-OH 2.89Š|
| 2041 | D | 48.1 | Very low | 55.2 | Low | 90 Ų | 90 | 67.7 Ų | 67.7 | 48% | 0.481 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -5.2 | 176 | -76 | 5 | 0 | 0 | 0 | 116.2 | L2039 T2043 Y2086 | L2039-D2041 PolarHBondContact O-N 2.94Å; D2041-T2043 VanDerWaalsContact C-N 3.28Å; D2041-T2043 HydrophobicContact CB-CG2 4.37Å; D2041-T2043 PolarHBondContact O-N 2.03Å; D2041-Y2086 WeakPolarHBondContact CB-OH 2.92Å; D2041-Y2086 PolarHBondContact O-OH 2.92Å |
| 2042 | S | 51.6 | Low | 57.2 | Low | 60 Ų | 60 | 70.7 Ų | 70.7 | 42% | 0.42 | 37% | 0.368 | S | S | . | . | trans | 60.2 | 21.9 | -173.4 | -52.9 | 0 | 0 | 0 | 0 | 117.1 | I2038 L2039 | I2038-S2042 VanDerWaalsContact CG2-OG 3.31Å; I2038-S2042 WeakPolarHBondContact CG2-OG 2.97Å; L2039-S2042 PolarHBondContact O-N 2.86Å | ||
| 2043 | T | 60.4 | Low | 58.4 | Low | 12 Ų | 12 | 70.3 Ų | 70.3 | 7% | 0.074 | 38% | 0.377 | C | S | . | . | trans | -74.9 | 139.6 | 175.7 | 46.8 | 0 | 0 | 0 | 0 | 113.1 | Y2007 L2039 D2041 I2047 K2051 | Y2007-T2043 PolarHBondContact OH-OG1 2.85Å; L2039-T2043 VanDerWaalsContact CD1-OG1 3.31Å; L2039-T2043 WeakPolarHBondContact CD1-OG1 3.41Å; D2041-T2043 VanDerWaalsContact C-N 3.28Å; D2041-T2043 HydrophobicContact CB-CG2 4.37Å; D2041-T2043 PolarHBondContact O-N 2.03Å; T2043-I2047 HydrophobicContact CG2-CG2 4.13Å; T2043-K2051 HydrophobicContact CG2-CD 4.28Å; T2043-K2051 VanDerWaalsContact CG2-NZ 3.31Å | ||
| 2044 | T | 72.8 | Confident | 60.3 | Low | 64 Ų | 64 | 69.9 Ų | 69.9 | 39% | 0.393 | 37% | 0.372 | S | S | . | . | trans | -103.5 | 164.4 | 168 | 67.8 | 0 | 0 | 0 | 0 | 110.4 | L2046 I2047 Q2048 | T2044-L2046 PolarHBondContact O-N 2.89Å; T2044-I2047 HydrophobicContact CG2-CD1 4.24Å; T2044-I2047 PolarHBondContact O-N 3.45Å; T2044-I2047 VanDerWaalsContact O-N 3.1Å; T2044-I2047 WeakPolarHBondContact OG1-CG1 3.24Å; T2044-I2047 PolarHBondContact OG1-N 2.8Å; T2044-Q2048 PolarHBondContact O-N 2.03Å | ||
| 2045 | P | 75.8 | Confident | 62.2 | Low | 27 Ų | 27 | 64.3 Ų | 64.3 | 18% | 0.175 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -56 | -36.6 | 174.3 | -25.6 | 34.6 | 0 | 0 | 0 | 113.1 | L2006 Y2007 V2010 Q2048 A2049 | L2006-P2045 HydrophobicContact CD2-CB 4.42Å; L2006-P2045 HydrophobicContact CD2-CG 4.42Å; L2006-P2045 HydrophobicContact CG-CB 4.28Å; L2006-P2045 HydrophobicContact CG-CG 4.37Å; Y2007-P2045 HydrophobicContact CD2-CG 4.23Å; V2010-P2045 WeakPolarHBondContact CG1-O 3.31Å; V2010-P2045 HydrophobicContact CG2-CB 4.2Å; P2045-Q2048 PolarHBondContact O-N 2.8Å; P2045-A2049 PolarHBondContact O-N 3.09Å |
| 2046 | L | 76 | Confident | 64 | Low | 35 Ų | 35 | 66.1 Ų | 66.1 | 18% | 0.183 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 176.1 | -171.8 | 68.2 | 0 | 0 | 0 | 112.1 | T2044 Q2048 A2049 I2050 F2058 L2061 | T2044-L2046 PolarHBondContact O-N 2.89Å; L2046-Q2048 VanDerWaalsContact C-N 3.3Å; L2046-Q2048 PolarHBondContact O-N 3.36Å; L2046-A2049 PolarHBondContact O-N 2.91Å; L2046-I2050 WeakPolarHBondContact O-CG1 3.48Å; L2046-I2050 PolarHBondContact O-N 2.84Å; L2046-F2058 HydrophobicContact CD1-CD2 3.69Å; L2046-F2058 HydrophobicContact CD1-CE2 3.86Å; L2046-F2058 HydrophobicContact CG-CE2 4.49Å; L2046-L2061 HydrophobicContact CD1-CB 3.94Å; L2046-L2061 HydrophobicContact CD1-CD1 4.29Å |
| 2047 | I | 69.7 | Low | 66.4 | Low | 74 Ų | 74 | 60.8 Ų | 60.8 | 38% | 0.379 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.4 | -36.1 | 173.8 | -67.9 | 168.8 | 0 | 0 | 0 | 110.6 | T2043 T2044 I2050 K2051 | T2043-I2047 HydrophobicContact CG2-CG2 4.13Å; T2044-I2047 HydrophobicContact CG2-CD1 4.24Å; T2044-I2047 PolarHBondContact O-N 3.45Å; T2044-I2047 VanDerWaalsContact O-N 3.1Å; T2044-I2047 WeakPolarHBondContact OG1-CG1 3.24Å; T2044-I2047 PolarHBondContact OG1-N 2.8Å; I2047-I2050 PolarHBondContact O-N 2.77Å; I2047-K2051 PolarHBondContact O-N 2.78Å |
| 2048 | Q | 83.5 | Confident | 68.6 | Low | 29 Ų | 29 | 57.3 Ų | 57.3 | 14% | 0.136 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.3 | -39 | 178.1 | -171.3 | 60.7 | 16.5 | 0 | 0 | 112.4 | Y2007 V2010 T2044 P2045 L2046 I2050 K2051 L2052 | Y2007-Q2048 HydrophobicContact CD2-CB 4.47Å; Y2007-Q2048 HydrophobicContact CE1-CG 4.42Å; Y2007-Q2048 HydrophobicContact CE2-CB 3.86Å; Y2007-Q2048 HydrophobicContact CE2-CG 4.24Å; Y2007-Q2048 PolarHBondContact OH-OE1 3.15Å; V2010-Q2048 HydrophobicContact CG1-CB 4.16Å; V2010-Q2048 HydrophobicContact CG1-CG 4.23Å; T2044-Q2048 PolarHBondContact O-N 2.03Å; P2045-Q2048 PolarHBondContact O-N 2.8Å; L2046-Q2048 VanDerWaalsContact C-N 3.3Å; L2046-Q2048 PolarHBondContact O-N 3.36Å; Q2048-I2050 VanDerWaalsContact C-N 3.3Å; Q2048-I2050 PolarHBondContact O-N 2.9Å; Q2048-K2051 PolarHBondContact O-N 3.14Å; Q2048-L2052 HydrophobicContact CG-CD1 4.3Å; Q2048-L2052 WeakPolarHBondContact O-CG 3.12Å; Q2048-L2052 PolarHBondContact O-N 3.39Å |
| 2049 | A | 76.4 | Confident | 69.9 | Low | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.008 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.8 | -40.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V2010 P2045 L2046 L2052 G2053 D2054 I2057 F2058 L2061 | V2010-A2049 HydrophobicContact CG1-CB 3.92Å; P2045-A2049 PolarHBondContact O-N 3.09Å; L2046-A2049 PolarHBondContact O-N 2.91Å; A2049-L2052 PolarHBondContact O-N 3.49Å; A2049-G2053 PolarHBondContact O-N 3.17Å; A2049-G2053 VanDerWaalsContact O-N 3.08Å; A2049-D2054 PolarHBondContact O-N 3.45Å; A2049-I2057 HydrophobicContact CB-CG2 4.1Å; A2049-F2058 HydrophobicContact CB-CB 4.29Å; A2049-L2061 HydrophobicContact CB-CD1 4.06Å |
| 2050 | I | 72.2 | Confident | 71.1 | Confident | 73 Ų | 73 | 55.3 Ų | 55.3 | 37% | 0.374 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 174.3 | -63.9 | 165.1 | 0 | 0 | 0 | 111.5 | L2046 I2047 Q2048 L2052 G2053 F2058 | L2046-I2050 WeakPolarHBondContact O-CG1 3.48Å; L2046-I2050 PolarHBondContact O-N 2.84Å; I2047-I2050 PolarHBondContact O-N 2.77Å; Q2048-I2050 VanDerWaalsContact C-N 3.3Å; Q2048-I2050 PolarHBondContact O-N 2.9Å; I2050-L2052 VanDerWaalsContact C-N 3.26Å; I2050-L2052 PolarHBondContact O-N 3.12Å; I2050-G2053 PolarHBondContact O-N 3.19Å; I2050-F2058 HydrophobicContact CD1-CD2 4.25Å; I2050-F2058 HydrophobicContact CD1-CE2 4.01Å; I2050-F2058 HydrophobicContact CG1-CD2 3.79Å; I2050-F2058 HydrophobicContact CG1-CE2 4.01Å |
| 2051 | K | 69.6 | Low | 72.6 | Confident | 87 Ų | 87 | 47 Ų | 47 | 38% | 0.378 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.9 | -32.8 | 175.5 | -79.6 | -174.1 | 172.6 | -172.7 | 0 | 112.6 | T2043 I2047 Q2048 | T2043-K2051 HydrophobicContact CG2-CD 4.28Å; T2043-K2051 VanDerWaalsContact CG2-NZ 3.31Å; I2047-K2051 PolarHBondContact O-N 2.78Å; Q2048-K2051 PolarHBondContact O-N 3.14Å |
| 2052 | L | 77.4 | Confident | 73.6 | Confident | 79 Ų | 79 | 45.1 Ų | 45.1 | 41% | 0.414 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -85.8 | -14.5 | 178.6 | -69.3 | 171.5 | 0 | 0 | 0 | 114.1 | V2010 Q2048 A2049 I2050 D2054 | V2010-L2052 WeakPolarHBondContact O-CD1 3.05Å; Q2048-L2052 HydrophobicContact CG-CD1 4.3Å; Q2048-L2052 WeakPolarHBondContact O-CG 3.12Å; Q2048-L2052 PolarHBondContact O-N 3.39Å; A2049-L2052 PolarHBondContact O-N 3.49Å; I2050-L2052 VanDerWaalsContact C-N 3.26Å; I2050-L2052 PolarHBondContact O-N 3.12Å; L2052-D2054 VanDerWaalsContact C-N 3.26Å; L2052-D2054 PolarHBondContact O-N 3.32Å |
| 2053 | G | 72.9 | Confident | 74.3 | Confident | 39 Ų | 39 | 48.9 Ų | 48.9 | 40% | 0.402 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 16.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | A2049 I2050 T2055 | A2049-G2053 PolarHBondContact O-N 3.17Å; A2049-G2053 VanDerWaalsContact O-N 3.08Å; I2050-G2053 PolarHBondContact O-N 3.19Å; G2053-T2055 PolarHBondContact O-N 2.85Å; G2053-T2055 VanDerWaalsContact O-N 3.13Å |
| 2054 | D | 76.3 | Confident | 74.4 | Confident | 35 Ų | 35 | 49.5 Ų | 49.5 | 19% | 0.187 | 27% | 0.269 | C | S | . | . | trans | -80.4 | 96.4 | -177.8 | -166 | -48 | 0 | 0 | 0 | 110.6 | S2013 A2049 L2052 D2056 I2057 F2058 | S2013-D2054 WeakPolarHBondContact CB-OD2 3.36Å; S2013-D2054 PolarHBondContact OG-OD2 2.88Å; A2049-D2054 PolarHBondContact O-N 3.45Å; L2052-D2054 VanDerWaalsContact C-N 3.26Å; L2052-D2054 PolarHBondContact O-N 3.32Å; D2054-D2056 VanDerWaalsContact C-N 3.29Å; D2054-D2056 PolarHBondContact O-N 3.48Å; D2054-D2056 PolarHBondContact OD1-N 3.19Å; D2054-D2056 VanDerWaalsContact OD1-N 3.09Å; D2054-I2057 HydrophobicContact CB-CB 4.24Å; D2054-I2057 WeakPolarHBondContact OD1-CB 3.47Å; D2054-I2057 PolarHBondContact OD1-N 3.24Å; D2054-F2058 WeakPolarHBondContact O-CB 3.08Å; D2054-F2058 PolarHBondContact O-N 3.42Å | ||
| 2055 | T | 75.3 | Confident | 73.8 | Confident | 56 Ų | 56 | 48.3 Ų | 48.3 | 34% | 0.344 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.5 | -30.2 | -178.7 | 49.1 | 0 | 0 | 0 | 0 | 113.2 | G2053 N2059 D2094 | G2053-T2055 PolarHBondContact O-N 2.85Å; G2053-T2055 VanDerWaalsContact O-N 3.13Å; T2055-N2059 VanDerWaalsContact O-CB 3.24Å; T2055-N2059 WeakPolarHBondContact O-CB 3.4Å; T2055-N2059 PolarHBondContact O-N 3.37Å; T2055-N2059 PolarHBondContact O-ND2 2.83Å; T2055-D2094 HydrophobicContact CG2-CB 4.05Å |
| 2056 | D | 77.3 | Confident | 72 | Confident | 96 Ų | 96 | 53.4 Ų | 53.4 | 51% | 0.513 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -83.2 | -40.8 | -172 | -61.5 | -34.3 | 0 | 0 | 0 | 110.4 | I2015 D2054 N2059 M2060 | I2015-D2056 HydrophobicContact CD1-CB 3.95Å; D2054-D2056 VanDerWaalsContact C-N 3.29Å; D2054-D2056 PolarHBondContact O-N 3.48Å; D2054-D2056 PolarHBondContact OD1-N 3.19Å; D2054-D2056 VanDerWaalsContact OD1-N 3.09Å; D2056-N2059 PolarHBondContact O-N 2.94Å; D2056-M2060 WeakPolarHBondContact O-CB 3.18Å; D2056-M2060 PolarHBondContact O-N 3.48Å |
| 2057 | I | 81.7 | Confident | 70.2 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.6 | -41.3 | 168.3 | -67.7 | 179.9 | 0 | 0 | 0 | 110.9 | V2010 I2015 V2018 A2049 D2054 N2059 M2060 L2061 | V2010-I2057 HydrophobicContact CB-CG2 4.43Å; V2010-I2057 HydrophobicContact CG1-CG2 4.05Å; V2010-I2057 HydrophobicContact CG2-CG2 3.83Å; I2015-I2057 HydrophobicContact CB-CD1 4.29Å; I2015-I2057 HydrophobicContact CB-CG1 4.19Å; I2015-I2057 HydrophobicContact CD1-CG1 4.31Å; I2015-I2057 HydrophobicContact CG1-CG1 4.07Å; V2018-I2057 HydrophobicContact CG1-CG2 4.42Å; V2018-I2057 HydrophobicContact CG2-CD1 4.3Å; V2018-I2057 HydrophobicContact CG2-CG2 4.32Å; A2049-I2057 HydrophobicContact CB-CG2 4.1Å; D2054-I2057 HydrophobicContact CB-CB 4.24Å; D2054-I2057 WeakPolarHBondContact OD1-CB 3.47Å; D2054-I2057 PolarHBondContact OD1-N 3.24Å; I2057-N2059 PolarHBondContact O-N 2.97Å; I2057-M2060 PolarHBondContact O-N 3.48Å; I2057-L2061 HydrophobicContact CG2-CD1 3.96Å; I2057-L2061 HydrophobicContact CG2-CG 4.37Å; I2057-L2061 WeakPolarHBondContact O-CB 3.48Å; I2057-L2061 WeakPolarHBondContact O-CG 3.39Å; I2057-L2061 PolarHBondContact O-N 2.91Å |
| 2058 | F | 79.3 | Confident | 68.6 | Low | 28 Ų | 28 | 59 Ų | 59 | 12% | 0.123 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.6 | -47.8 | 173.3 | 170.8 | -95.8 | 0 | 0 | 0 | 111.6 | L2046 A2049 I2050 D2054 L2061 L2062 I2098 | L2046-F2058 HydrophobicContact CD1-CD2 3.69Å; L2046-F2058 HydrophobicContact CD1-CE2 3.86Å; L2046-F2058 HydrophobicContact CG-CE2 4.49Å; A2049-F2058 HydrophobicContact CB-CB 4.29Å; I2050-F2058 HydrophobicContact CD1-CD2 4.25Å; I2050-F2058 HydrophobicContact CD1-CE2 4.01Å; I2050-F2058 HydrophobicContact CG1-CD2 3.79Å; I2050-F2058 HydrophobicContact CG1-CE2 4.01Å; D2054-F2058 WeakPolarHBondContact O-CB 3.08Å; D2054-F2058 PolarHBondContact O-N 3.42Å; F2058-L2061 PolarHBondContact O-N 3.34Å; F2058-L2062 HydrophobicContact CE1-CD2 4.17Å; F2058-L2062 HydrophobicContact CZ-CD2 4.38Å; F2058-L2062 WeakPolarHBondContact O-CB 3.41Å; F2058-L2062 PolarHBondContact O-N 3.19Å; F2058-I2098 HydrophobicContact CE1-CD1 4.42Å; F2058-I2098 HydrophobicContact CE1-CG1 4.07Å; F2058-I2098 HydrophobicContact CZ-CD1 4Å; F2058-I2098 HydrophobicContact CZ-CG1 4.03Å |
| 2059 | N | 75.2 | Confident | 66.3 | Low | 54 Ų | 54 | 61.4 Ų | 61.4 | 29% | 0.289 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 176.6 | -79 | -40.7 | 0 | 0 | 0 | 111.6 | T2055 D2056 I2057 L2062 H2063 | T2055-N2059 VanDerWaalsContact O-CB 3.24Å; T2055-N2059 WeakPolarHBondContact O-CB 3.4Å; T2055-N2059 PolarHBondContact O-N 3.37Å; T2055-N2059 PolarHBondContact O-ND2 2.83Å; D2056-N2059 PolarHBondContact O-N 2.94Å; I2057-N2059 PolarHBondContact O-N 2.97Å; N2059-L2062 PolarHBondContact O-N 2.81Å; N2059-H2063 PolarHBondContact O-N 2.02Å; N2059-H2063 PolarHBondContact O-ND1 3.17Å |
| 2060 | M | 76.9 | Confident | 64.2 | Low | 43 Ų | 43 | 63.6 Ų | 63.6 | 21% | 0.212 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 178.7 | -168 | -176.3 | -64 | 0 | 0 | 111.9 | I2015 V2018 Q2019 L2022 D2056 I2057 H2063 A2064 | I2015-M2060 HydrophobicContact CD1-CE 4.04Å; I2015-M2060 HydrophobicContact CG1-CE 3.56Å; V2018-M2060 HydrophobicContact CB-SD 4.3Å; V2018-M2060 HydrophobicContact CG1-SD 3.77Å; Q2019-M2060 HydrophobicContact CB-CE 4.02Å; Q2019-M2060 HydrophobicContact CB-SD 3.72Å; Q2019-M2060 HydrophobicContact CG-CE 4.47Å; Q2019-M2060 HydrophobicContact CG-SD 4.31Å; L2022-M2060 HydrophobicContact CD1-CG 3.96Å; L2022-M2060 HydrophobicContact CD1-SD 4.21Å; D2056-M2060 WeakPolarHBondContact O-CB 3.18Å; D2056-M2060 PolarHBondContact O-N 3.48Å; I2057-M2060 PolarHBondContact O-N 3.48Å; M2060-H2063 PolarHBondContact O-N 2.79Å; M2060-A2064 WeakPolarHBondContact O-CB 3.38Å; M2060-A2064 PolarHBondContact O-N 3.33Å |
| 2061 | L | 76.5 | Confident | 62.4 | Low | 6 Ų | 6 | 64.3 Ų | 64.3 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 173.2 | -70.4 | 168.5 | 0 | 0 | 0 | 111.3 | L2006 V2010 L2022 L2046 A2049 I2057 F2058 H2063 A2064 M2065 | L2006-L2061 HydrophobicContact CD1-CD2 4.45Å; L2006-L2061 HydrophobicContact CD2-CD2 4.1Å; V2010-L2061 HydrophobicContact CG2-CD1 4.12Å; L2022-L2061 HydrophobicContact CD1-CD2 4.19Å; L2046-L2061 HydrophobicContact CD1-CB 3.94Å; L2046-L2061 HydrophobicContact CD1-CD1 4.29Å; A2049-L2061 HydrophobicContact CB-CD1 4.06Å; I2057-L2061 HydrophobicContact CG2-CD1 3.96Å; I2057-L2061 HydrophobicContact CG2-CG 4.37Å; I2057-L2061 WeakPolarHBondContact O-CB 3.48Å; I2057-L2061 WeakPolarHBondContact O-CG 3.39Å; I2057-L2061 PolarHBondContact O-N 2.91Å; F2058-L2061 PolarHBondContact O-N 3.34Å; L2061-H2063 PolarHBondContact O-N 3.13Å; L2061-A2064 PolarHBondContact O-N 2.91Å; L2061-M2065 WeakPolarHBondContact O-CB 3.03Å; L2061-M2065 VanDerWaalsContact O-CG 3.28Å; L2061-M2065 WeakPolarHBondContact O-CG 3.31Å; L2061-M2065 PolarHBondContact O-N 2.79Å |
| 2062 | L | 69.9 | Low | 60.4 | Low | 49 Ų | 49 | 64.3 Ų | 64.3 | 26% | 0.257 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.3 | -39.3 | 178.6 | -173.6 | 65.1 | 0 | 0 | 0 | 112.7 | F2058 N2059 M2065 L2068 | F2058-L2062 HydrophobicContact CE1-CD2 4.17Å; F2058-L2062 HydrophobicContact CZ-CD2 4.38Å; F2058-L2062 WeakPolarHBondContact O-CB 3.41Å; F2058-L2062 PolarHBondContact O-N 3.19Å; N2059-L2062 PolarHBondContact O-N 2.81Å; L2062-M2065 CarbonylContact O-C 3.52Å; L2062-M2065 PolarHBondContact O-N 3.25Å; L2062-L2068 HydrophobicContact CD1-CD1 4.16Å |
| 2063 | H | 65.8 | Low | 57.8 | Low | 139 Ų | 139 | 65 Ų | 65 | 64% | 0.644 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -72.7 | -32.4 | 176 | -74 | 85.2 | 0 | 0 | 0 | 112.8 | N2059 M2060 L2061 | N2059-H2063 PolarHBondContact O-N 2.02Å; N2059-H2063 PolarHBondContact O-ND1 3.17Å; M2060-H2063 PolarHBondContact O-N 2.79Å; L2061-H2063 PolarHBondContact O-N 3.13Å |
| 2064 | A | 62.7 | Low | 55.5 | Low | 25 Ų | 25 | 69.9 Ų | 69.9 | 21% | 0.207 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -72 | -31 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L2022 L2029 M2060 L2061 N2066 | L2022-A2064 HydrophobicContact CB-CB 4.44Å; L2022-A2064 HydrophobicContact CD1-CB 3.93Å; L2022-A2064 HydrophobicContact CD2-CB 3.91Å; L2022-A2064 HydrophobicContact CG-CB 4.31Å; L2029-A2064 VanDerWaalsContact CD2-O 3.27Å; L2029-A2064 WeakPolarHBondContact CD2-O 3.4Å; M2060-A2064 WeakPolarHBondContact O-CB 3.38Å; M2060-A2064 PolarHBondContact O-N 3.33Å; L2061-A2064 PolarHBondContact O-N 2.91Å; A2064-N2066 PolarHBondContact O-N 3.45Å |
| 2065 | M | 59.7 | Low | 52.9 | Low | 39 Ų | 39 | 73.7 Ų | 73.7 | 19% | 0.192 | 41% | 0.413 | C | S | . | . | trans | -90.1 | 69.4 | 176.7 | -66 | -179.2 | 73.3 | 0 | 0 | 111.7 | L2061 L2062 V2067 C2070 | L2061-M2065 WeakPolarHBondContact O-CB 3.03Å; L2061-M2065 VanDerWaalsContact O-CG 3.28Å; L2061-M2065 WeakPolarHBondContact O-CG 3.31Å; L2061-M2065 PolarHBondContact O-N 2.79Å; L2062-M2065 CarbonylContact O-C 3.52Å; L2062-M2065 PolarHBondContact O-N 3.25Å; M2065-V2067 PolarHBondContact O-N 2.78Å; M2065-C2070 HydrophobicContact CE-CB 4.23Å | ||
| 2066 | N | 38.7 | Very low | 50.3 | Low | 135 Ų | 135 | 74.7 Ų | 74.7 | 72% | 0.722 | 42% | 0.416 | S | S | * | . | trans | -58.3 | 2 | -178.7 | -100.3 | -48.8 | 0 | 0 | 0 | 116.5 | A2064 | A2064-N2066 PolarHBondContact O-N 3.45Š| ||
| 2067 | V | 38 | Very low | 47.8 | Very low | 98 Ų | 98 | 76 Ų | 76 | 59% | 0.594 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -141.4 | 117 | 166.9 | -169.7 | 0 | 0 | 0 | 0 | 110.5 | M2065 V2069 | M2065-V2067 PolarHBondContact O-N 2.78Å; V2067-V2069 HydrophobicContact CG1-CB 3.78Å; V2067-V2069 HydrophobicContact CG1-CG2 3.53Å; V2067-V2069 PolarHBondContact O-N 3.42Å |
| 2068 | L | 35.6 | Very low | 45 | Very low | 129 Ų | 129 | 78.2 Ų | 78.2 | 68% | 0.675 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 56.2 | 174.8 | -165.7 | 83.5 | 0 | 0 | 0 | 112.3 | L2062 | L2062-L2068 HydrophobicContact CD1-CD1 4.16Š|
| 2069 | V | 35.3 | Very low | 42.3 | Very low | 78 Ų | 78 | 82.1 Ų | 82.1 | 47% | 0.473 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | -15.8 | -179.9 | 163.5 | 0 | 0 | 0 | 0 | 112.6 | V2067 A2071 L2072 | V2067-V2069 HydrophobicContact CG1-CB 3.78Å; V2067-V2069 HydrophobicContact CG1-CG2 3.53Å; V2067-V2069 PolarHBondContact O-N 3.42Å; V2069-A2071 PolarHBondContact O-N 3.37Å; V2069-L2072 PolarHBondContact O-N 3.36Å |
| 2070 | C | 32.5 | Very low | 39.7 | Very low | 48 Ų | 48 | 82.1 Ų | 82.1 | 32% | 0.324 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 15.5 | -174.2 | -51.6 | 0 | 0 | 0 | 0 | 114.9 | C2033 M2065 | C2033-C2070 HydrophobicContact CB-CB 3.63Å; C2033-C2070 WeakPolarHBondContact CB-SG 3.38Å; C2033-C2070 WeakPolarHBondContact SG-CB 3.48Å; C2033-C2070 CovalentContact SG-SG 2.02Å; C2033-C2070 PolarHBondContact SG-SG 3.28Å; M2065-C2070 HydrophobicContact CE-CB 4.23Å |
| 2071 | A | 33.9 | Very low | 37.2 | Very low | 87 Ų | 87 | 84.7 Ų | 84.7 | 72% | 0.719 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | 3.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V2069 | V2069-A2071 PolarHBondContact O-N 3.37Š|
| 2072 | L | 26.8 | Very low | 34.6 | Very low | 88 Ų | 88 | 89.5 Ų | 89.5 | 46% | 0.461 | 50% | 0.498 | S | S | . | . | trans | -136.4 | 52.4 | -168.8 | -68.7 | 174.7 | 0 | 0 | 0 | 113.5 | V2069 | V2069-L2072 PolarHBondContact O-N 3.36Š| ||
| 2073 | T | 23.7 | Very low | 32.4 | Very low | 93 Ų | 93 | 92.7 Ų | 92.7 | 57% | 0.571 | 51% | 0.507 | S | S | * | . | trans | -113.7 | 115.4 | 170.8 | 38.2 | 0 | 0 | 0 | 0 | 111.9 | T2075 | T2073-T2075 PolarHBondContact O-N 2.74Å; T2073-T2075 VanDerWaalsContact O-N 3.12Å | ||
| 2074 | K | 23.8 | Very low | 30.3 | Very low | 141 Ų | 141 | 91.4 Ų | 91.4 | 61% | 0.613 | 51% | 0.509 | S | S | * | . | trans | -70.9 | 97.2 | 175.3 | -82.8 | -179.7 | 164.4 | -172.4 | 0 | 110.9 | T577 D594 | T577-K2074 HydrophobicContact CG2-CB 4.37Å; T577-K2074 HydrophobicContact CG2-CD 3.83Å; D594-K2074 IonicContact OD1-NZ 2.9Å | ||
| 2075 | T | 22.1 | Very low | 28.3 | Very low | 116 Ų | 116 | 94.8 Ų | 94.8 | 71% | 0.712 | 53% | 0.532 | S | S | * | . | trans | -139.3 | 103.9 | 166.3 | 49.8 | 0 | 0 | 0 | 0 | 112.8 | T2073 I2077 | T2073-T2075 PolarHBondContact O-N 2.74Å; T2073-T2075 VanDerWaalsContact O-N 3.12Å; T2075-I2077 PolarHBondContact O-N 3.43Å; T2075-I2077 VanDerWaalsContact O-N 3.08Å | ||
| 2076 | N | 21.6 | Very low | 26.7 | Very low | 76 Ų | 76 | 98.3 Ų | 98.3 | 41% | 0.406 | 54% | 0.544 | S | S | . | . | trans | 20 | 64.6 | 163.3 | -66.3 | 11 | 0 | 0 | 0 | 119.8 | G603 S2078 | G603-N2076 PolarHBondContact O-ND2 3.15Å; N2076-S2078 PolarHBondContact O-N 2.94Å; N2076-S2078 PolarHBondContact O-OG 2.03Å | ||
| 2077 | I | 23.8 | Very low | 26 | Very low | 123 Ų | 123 | 97.4 Ų | 97.4 | 63% | 0.631 | 54% | 0.539 | S | S | * | . | trans | -66.5 | 113.9 | 154.7 | -60.6 | 176.5 | 0 | 0 | 0 | 107.6 | T2075 P2116 | T2075-I2077 PolarHBondContact O-N 3.43Å; T2075-I2077 VanDerWaalsContact O-N 3.08Å; I2077-P2116 HydrophobicContact CD1-CG 4.1Å | ||
| 2078 | S | 22.1 | Very low | 25.5 | Very low | 47 Ų | 47 | 99.7 Ų | 99.7 | 33% | 0.329 | 55% | 0.545 | S | S | . | . | trans | -106.8 | 108.7 | -171.8 | -65.2 | 0 | 0 | 0 | 0 | 112 | G602 N2076 | G602-S2078 WeakPolarHBondContact CA-OG 3.41Å; N2076-S2078 PolarHBondContact O-N 2.94Å; N2076-S2078 PolarHBondContact O-OG 2.03Å | ||
| 2079 | R | 22.6 | Very low | 24.9 | Very low | 111 Ų | 111 | 100.8 Ų | 100.8 | 42% | 0.419 | 55% | 0.55 | S | S | . | . | S | Bend | trans | 64.1 | 83.2 | 172.3 | -69.8 | -173.4 | 171.8 | 138.1 | -9.7 | 117.3 | I125 N601 | I125-R2079 VanDerWaalsContact O-CZ 3.3Å; I125-R2079 PolarHBondContact O-NE 3.02Å; N601-R2079 PolarHBondContact OD1-NH1 2.88Å |
| 2080 | G | 22.5 | Very low | 24.5 | Very low | 54 Ų | 54 | 99.4 Ų | 99.4 | 56% | 0.557 | 55% | 0.551 | S | S | * | * | trans | 17.9 | 125.2 | 134.7 | 0 | 0 | 0 | 0 | 0 | 121 | L124 | L124-G2080 WeakPolarHBondContact CD2-O 3.46Š| ||
| 2081 | Q | 22.6 | Very low | 24.1 | Very low | 96 Ų | 96 | 104.1 Ų | 104.1 | 45% | 0.449 | 58% | 0.579 | S | S | . | * | trans | -140.5 | 155.8 | 158.5 | -81.9 | -160 | -4.8 | 0 | 0 | 107.9 | L124 Q129 | L124-Q2081 HydrophobicContact CD1-CG 3.86Å; Q129-Q2081 HydrophobicContact CB-CG 3.93Å; Q129-Q2081 HydrophobicContact CG-CB 4.39Å; Q129-Q2081 VanDerWaalsContact CG-CD 3.45Å; Q129-Q2081 HydrophobicContact CG-CG 4.04Å; Q129-Q2081 VanDerWaalsContact OE1-CA 3.3Å | ||
| 2082 | E | 22.4 | Very low | 23.7 | Very low | 108 Ų | 108 | 103 Ų | 103 | 51% | 0.505 | 57% | 0.566 | S | S | . | * | trans | -84.3 | 121.9 | -168.4 | -68 | -172.4 | 157.3 | 0 | 0 | 113.4 | I122 T2084 | I122-E2082 HydrophobicContact CD1-CB 3.71Å; I122-E2082 HydrophobicContact CD1-CG 3.72Å; I122-E2082 VanDerWaalsContact CD1-OE2 3.27Å; I122-E2082 WeakPolarHBondContact CD1-OE2 3.45Å; I122-E2082 HydrophobicContact CG2-CG 4.41Å; E2082-T2084 HydrophobicContact CB-CG2 4.49Å | ||
| 2083 | Y | 24.6 | Very low | 23.8 | Very low | 115 Ų | 115 | 104.2 Ų | 104.2 | 45% | 0.451 | 58% | 0.577 | S | S | . | * | trans | -98.2 | 77.2 | 172 | -72.5 | -77 | 0 | 0 | 0 | 111.5 | Q2040 Y2086 | Q2040-Y2083 PolarHBondContact O-OH 2.89Å; Y2083-Y2086 HydrophobicContact CD1-CE2 4.02Å | ||
| 2084 | T | 20.3 | Very low | 24 | Very low | 112 Ų | 112 | 102.8 Ų | 102.8 | 69% | 0.687 | 57% | 0.566 | S | S | * | * | trans | -103.1 | 33.9 | 178.4 | 55.3 | 0 | 0 | 0 | 0 | 113.8 | E2082 | E2082-T2084 HydrophobicContact CB-CG2 4.49Š| ||
| 2085 | S | 22 | Very low | 24.5 | Very low | 97 Ų | 97 | 101.6 Ų | 101.6 | 68% | 0.678 | 57% | 0.565 | S | S | * | * | trans | -155.5 | 74.8 | 177.7 | 57.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 2086 | Y | 25.2 | Very low | 24.8 | Very low | 113 Ų | 113 | 101.8 Ų | 101.8 | 44% | 0.443 | 56% | 0.562 | S | S | . | * | trans | -130.7 | 81.3 | 162.8 | -78.4 | -51.4 | 0 | 0 | 0 | 110.2 | D2041 Y2083 M2088 | D2041-Y2086 WeakPolarHBondContact CB-OH 2.92Å; D2041-Y2086 PolarHBondContact O-OH 2.92Å; Y2083-Y2086 HydrophobicContact CD1-CE2 4.02Å; Y2086-M2088 PolarHBondContact O-N 2.7Å | ||
| 2087 | D | 24 | Very low | 25.2 | Very low | 115 Ų | 115 | 104.4 Ų | 104.4 | 62% | 0.615 | 57% | 0.571 | S | S | * | * | trans | -64.7 | 122.1 | 162.3 | -79.4 | -52.7 | 0 | 0 | 0 | 109.1 | I2089 | D2087-I2089 HydrophobicContact CB-CD1 4.2Å; D2087-I2089 HydrophobicContact CB-CG1 3.73Å; D2087-I2089 PolarHBondContact O-N 2.82Å | ||
| 2088 | M | 27.9 | Very low | 25.7 | Very low | 146 Ų | 146 | 102.4 Ų | 102.4 | 72% | 0.719 | 56% | 0.561 | S | S | * | * | trans | -75.1 | 74.4 | 167.1 | -81.7 | -175.3 | 158.9 | 0 | 0 | 109.6 | Y2086 G2090 | Y2086-M2088 PolarHBondContact O-N 2.7Å; M2088-G2090 PolarHBondContact O-N 2.71Å | ||
| 2089 | I | 23.5 | Very low | 26.3 | Very low | 153 Ų | 153 | 106.3 Ų | 106.3 | 79% | 0.785 | 57% | 0.574 | S | S | * | * | trans | -77.2 | 73.2 | 170.5 | -48.4 | -175.4 | 0 | 0 | 0 | 108.5 | D2087 | D2087-I2089 HydrophobicContact CB-CD1 4.2Å; D2087-I2089 HydrophobicContact CB-CG1 3.73Å; D2087-I2089 PolarHBondContact O-N 2.82Å | ||
| 2090 | G | 27.2 | Very low | 26.6 | Very low | 49 Ų | 49 | 104.5 Ų | 104.5 | 51% | 0.505 | 58% | 0.578 | S | S | . | * | trans | -140.6 | 91.5 | 179 | 0 | 0 | 0 | 0 | 0 | 110.4 | M2088 S2092 | M2088-G2090 PolarHBondContact O-N 2.71Å; G2090-S2092 PolarHBondContact O-N 3.48Å | ||
| 2091 | T | 23.6 | Very low | 26.8 | Very low | 146 Ų | 146 | 106 Ų | 106 | 90% | 0.896 | 58% | 0.577 | S | S | * | * | trans | -89.2 | 83 | -173.7 | 52.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2092 | S | 25.9 | Very low | 27.1 | Very low | 64 Ų | 64 | 104.1 Ų | 104.1 | 45% | 0.448 | 57% | 0.574 | S | S | . | * | trans | -145.9 | 168.6 | 163.5 | 95.2 | 0 | 0 | 0 | 0 | 112.5 | G2090 D2094 | G2090-S2092 PolarHBondContact O-N 3.48Å; S2092-D2094 VanDerWaalsContact C-N 3.35Å; S2092-D2094 WeakPolarHBondContact CB-OD2 3.17Å; S2092-D2094 PolarHBondContact O-N 3.25Å; S2092-D2094 PolarHBondContact OG-OD2 3.46Å | ||
| 2093 | T | 27.6 | Very low | 27.2 | Very low | 114 Ų | 114 | 105.5 Ų | 105.5 | 70% | 0.699 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -87.2 | 2.6 | -170.1 | 36.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 2094 | D | 29.1 | Very low | 27.4 | Very low | 62 Ų | 62 | 104.4 Ų | 104.4 | 33% | 0.332 | 61% | 0.605 | S | S | . | * | G | 310 helix | trans | -104.5 | 0.6 | -142.3 | -46.4 | -48 | 0 | 0 | 0 | 114.3 | T2055 S2092 L2096 H2097 | T2055-D2094 HydrophobicContact CG2-CB 4.05Å; S2092-D2094 VanDerWaalsContact C-N 3.35Å; S2092-D2094 WeakPolarHBondContact CB-OD2 3.17Å; S2092-D2094 PolarHBondContact O-N 3.25Å; S2092-D2094 PolarHBondContact OG-OD2 3.46Å; D2094-L2096 PolarHBondContact O-N 3.32Å; D2094-H2097 PolarHBondContact O-N 2.04Å |
| 2095 | L | 33.5 | Very low | 27.8 | Very low | 116 Ų | 116 | 104.8 Ų | 104.8 | 61% | 0.607 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -54.4 | -19.7 | 168.6 | -86.2 | 167.7 | 0 | 0 | 0 | 113.7 | H2097 I2098 | L2095-H2097 PolarHBondContact O-N 3.45Å; L2095-I2098 HydrophobicContact CD2-CD1 4.01Å |
| 2096 | L | 29.3 | Very low | 27.9 | Very low | 121 Ų | 121 | 104.5 Ų | 104.5 | 63% | 0.634 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -61.9 | -25.8 | 173.9 | -80.5 | 163.8 | 0 | 0 | 0 | 113.7 | D2094 T2136 | D2094-L2096 PolarHBondContact O-N 3.32Å; L2096-T2136 HydrophobicContact CD2-CG2 4.42Å |
| 2097 | H | 29.5 | Very low | 27.8 | Very low | 131 Ų | 131 | 106 Ų | 106 | 61% | 0.606 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -75.6 | -25.1 | -175.9 | -103.6 | -57 | 0 | 0 | 0 | 114.4 | D2094 L2095 Q2099 S2100 | D2094-H2097 PolarHBondContact O-N 2.04Å; L2095-H2097 PolarHBondContact O-N 3.45Å; H2097-Q2099 PolarHBondContact O-N 2.96Å; H2097-S2100 PolarHBondContact ND1-OG 3.3Å; H2097-S2100 WeakPolarHBondContact O-CB 3.49Å; H2097-S2100 PolarHBondContact O-N 2.85Å; H2097-S2100 PolarHBondContact O-OG 2.77Å |
| 2098 | I | 35.3 | Very low | 27.7 | Very low | 80 Ų | 80 | 103 Ų | 103 | 41% | 0.41 | 62% | 0.618 | S | S | . | * | G | 310 helix | trans | -62.5 | -28.4 | -177 | -58.7 | -177.8 | 0 | 0 | 0 | 112 | F2058 L2095 S2100 | F2058-I2098 HydrophobicContact CE1-CD1 4.42Å; F2058-I2098 HydrophobicContact CE1-CG1 4.07Å; F2058-I2098 HydrophobicContact CZ-CD1 4Å; F2058-I2098 HydrophobicContact CZ-CG1 4.03Å; L2095-I2098 HydrophobicContact CD2-CD1 4.01Å; I2098-S2100 VanDerWaalsContact C-N 3.32Å; I2098-S2100 PolarHBondContact O-N 2.82Å |
| 2099 | Q | 34.4 | Very low | 27.5 | Very low | 129 Ų | 129 | 99 Ų | 99 | 60% | 0.603 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -81.1 | -6.5 | 176.5 | -65.2 | -172.1 | -13.3 | 0 | 0 | 114.2 | H2097 | H2097-Q2099 PolarHBondContact O-N 2.96Š|
| 2100 | S | 27.6 | Very low | 27.6 | Very low | 74 Ų | 74 | 96.6 Ų | 96.6 | 52% | 0.517 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100 | -20.9 | -167.4 | 70.8 | 0 | 0 | 0 | 0 | 115.7 | H2097 I2098 | H2097-S2100 PolarHBondContact ND1-OG 3.3Å; H2097-S2100 WeakPolarHBondContact O-CB 3.49Å; H2097-S2100 PolarHBondContact O-N 2.85Å; H2097-S2100 PolarHBondContact O-OG 2.77Å; I2098-S2100 VanDerWaalsContact C-N 3.32Å; I2098-S2100 PolarHBondContact O-N 2.82Å |
| 2101 | T | 28.5 | Very low | 27.4 | Very low | 85 Ų | 85 | 98.8 Ų | 98.8 | 52% | 0.521 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -100 | -2.5 | -163.1 | 48.9 | 0 | 0 | 0 | 0 | 116 | ||
| 2102 | S | 27.5 | Very low | 27.3 | Very low | 57 Ų | 57 | 94.5 Ų | 94.5 | 40% | 0.399 | 59% | 0.589 | S | S | . | * | trans | -139.9 | 104.4 | 176.9 | 58.6 | 0 | 0 | 0 | 0 | 114.3 | S2104 | S2102-S2104 PolarHBondContact O-N 2.86Š| ||
| 2103 | S | 25.6 | Very low | 27.3 | Very low | 136 Ų | 136 | 97.7 Ų | 97.7 | 95% | 0.951 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 30.3 | 172.7 | 66.3 | 0 | 0 | 0 | 0 | 113.4 | ||
| 2104 | S | 28 | Very low | 27 | Very low | 92 Ų | 92 | 96.7 Ų | 96.7 | 64% | 0.643 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.9 | 2.3 | -179.3 | 50.7 | 0 | 0 | 0 | 0 | 113.6 | S2102 S2106 | S2102-S2104 PolarHBondContact O-N 2.86Å; S2104-S2106 PolarHBondContact O-N 2.99Å |
| 2105 | L | 29.6 | Very low | 26.8 | Very low | 121 Ų | 121 | 96 Ų | 96 | 63% | 0.634 | 60% | 0.598 | S | S | * | * | trans | -71.6 | 42.3 | 166.3 | -89.7 | 76.4 | 0 | 0 | 0 | 112.7 | T2107 | L2105-T2107 PolarHBondContact O-N 3.26Š| ||
| 2106 | S | 22.9 | Very low | 26.3 | Very low | 91 Ų | 91 | 95 Ų | 95 | 64% | 0.636 | 60% | 0.597 | S | S | * | * | trans | -82.2 | 96.1 | 179.2 | 60.4 | 0 | 0 | 0 | 0 | 111.8 | S2104 G2108 | S2104-S2106 PolarHBondContact O-N 2.99Å; S2106-G2108 PolarHBondContact O-N 3Å | ||
| 2107 | T | 23.9 | Very low | 26.1 | Very low | 143 Ų | 143 | 93.6 Ų | 93.6 | 88% | 0.877 | 59% | 0.594 | S | S | * | * | S | Bend | trans | 50.4 | 57.4 | 158 | 57.1 | 0 | 0 | 0 | 0 | 115.7 | L2105 | L2105-T2107 PolarHBondContact O-N 3.26Š|
| 2108 | G | 22 | Very low | 26 | Very low | 54 Ų | 54 | 91.4 Ų | 91.4 | 56% | 0.557 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -165.1 | -47.7 | 172 | 0 | 0 | 0 | 0 | 0 | 113.9 | S2106 V2110 | S2106-G2108 PolarHBondContact O-N 3Å; G2108-V2110 VanDerWaalsContact C-N 3.31Å; G2108-V2110 PolarHBondContact O-N 3.16Å |
| 2109 | A | 23 | Very low | 25.6 | Very low | 60 Ų | 60 | 93.1 Ų | 93.1 | 50% | 0.496 | 60% | 0.604 | S | S | . | * | G | 310 helix | trans | -75.9 | -6.6 | -173 | 0 | 0 | 0 | 0 | 0 | 116 | A2111 S2112 | A2109-A2111 PolarHBondContact O-N 3.46Å; A2109-S2112 PolarHBondContact O-OG 2.77Å |
| 2110 | V | 25.7 | Very low | 25.1 | Very low | 103 Ų | 103 | 89.1 Ų | 89.1 | 62% | 0.624 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -79.7 | -4.6 | -178.6 | -166.3 | 0 | 0 | 0 | 0 | 112.2 | G2108 | G2108-V2110 VanDerWaalsContact C-N 3.31Å; G2108-V2110 PolarHBondContact O-N 3.16Å |
| 2111 | A | 22.9 | Very low | 25.3 | Very low | 95 Ų | 95 | 87.3 Ų | 87.3 | 79% | 0.785 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -110.7 | 13.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A2109 | A2109-A2111 PolarHBondContact O-N 3.46Š|
| 2112 | S | 22 | Very low | 25.3 | Very low | 56 Ų | 56 | 87.8 Ų | 87.8 | 39% | 0.392 | 58% | 0.579 | S | S | . | * | trans | -134.9 | 21 | -175 | 57.9 | 0 | 0 | 0 | 0 | 114.3 | A2109 S2114 | A2109-S2112 PolarHBondContact O-OG 2.77Å; S2112-S2114 PolarHBondContact O-N 3.41Å | ||
| 2113 | L | 25.5 | Very low | 25.7 | Very low | 131 Ų | 131 | 87.9 Ų | 87.9 | 69% | 0.686 | 58% | 0.578 | S | S | * | * | trans | -78.1 | 73.5 | 163.7 | -80.4 | 167.6 | 0 | 0 | 0 | 109.6 | P2115 T2120 | L2113-P2115 VanDerWaalsContact C-CD 3.4Å; L2113-P2115 VanDerWaalsContact O-CD 3.27Å; L2113-P2115 WeakPolarHBondContact O-CD 3.03Å; L2113-T2120 HydrophobicContact CB-CG2 4.48Å | ||
| 2114 | S | 22 | Very low | 26.2 | Very low | 94 Ų | 94 | 81.6 Ų | 81.6 | 66% | 0.657 | 53% | 0.534 | S | S | * | . | trans | -115.4 | 72.8 | 178 | -60.4 | 0 | 0 | 0 | 0 | 110.7 | S2112 | S2112-S2114 PolarHBondContact O-N 3.41Š| ||
| 2115 | P | 24.1 | Very low | 26.3 | Very low | 48 Ų | 48 | 81.9 Ų | 81.9 | 31% | 0.312 | 53% | 0.528 | S | S | . | . | trans | -66.1 | 138 | 172.9 | 29 | -33.6 | 0 | 0 | 0 | 110.2 | L2113 T2117 T2118 T2120 | L2113-P2115 VanDerWaalsContact C-CD 3.4Å; L2113-P2115 VanDerWaalsContact O-CD 3.27Å; L2113-P2115 WeakPolarHBondContact O-CD 3.03Å; P2115-T2117 PolarHBondContact O-N 2.84Å; P2115-T2118 WeakPolarHBondContact CG-O 3.36Å; P2115-T2120 HydrophobicContact CG-CG2 3.89Å | ||
| 2116 | P | 22.8 | Very low | 26.2 | Very low | 93 Ų | 93 | 77.2 Ų | 77.2 | 60% | 0.604 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -69.3 | 103.8 | 167.1 | 29.2 | -31.6 | 0 | 0 | 0 | 108.8 | I2077 | I2077-P2116 HydrophobicContact CD1-CG 4.1Š|
| 2117 | T | 26.1 | Very low | 26.4 | Very low | 93 Ų | 93 | 76.7 Ų | 76.7 | 57% | 0.571 | 52% | 0.518 | S | S | * | . | S | Bend | trans | 62.1 | 122 | -179.9 | 47.8 | 0 | 0 | 0 | 0 | 116.8 | P2115 | P2115-T2117 PolarHBondContact O-N 2.84Š|
| 2118 | T | 27.4 | Very low | 26.6 | Very low | 84 Ų | 84 | 74 Ų | 74 | 52% | 0.515 | 50% | 0.501 | S | S | . | . | S | Bend | trans | 72.3 | 155.4 | 175.9 | 79 | 0 | 0 | 0 | 0 | 117.5 | P2115 | P2115-T2118 WeakPolarHBondContact CG-O 3.36Š|
| 2119 | T | 25.4 | Very low | 26.8 | Very low | 116 Ų | 116 | 81 Ų | 81 | 71% | 0.712 | 52% | 0.52 | S | S | * | . | trans | 71.1 | 55.9 | 171.1 | 68.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 2120 | T | 25.3 | Very low | 27.2 | Very low | 46 Ų | 46 | 83.6 Ų | 83.6 | 28% | 0.282 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -115.1 | 14.4 | 154.8 | 43.7 | 0 | 0 | 0 | 0 | 114.5 | L2113 P2115 | L2113-T2120 HydrophobicContact CB-CG2 4.48Å; P2115-T2120 HydrophobicContact CG-CG2 3.89Å |
| 2121 | T | 31.1 | Very low | 27.3 | Very low | 36 Ų | 36 | 86.6 Ų | 86.6 | 22% | 0.221 | 53% | 0.533 | C | S | . | . | trans | -134.7 | 64.3 | 171.9 | 57.4 | 0 | 0 | 0 | 0 | 112.8 | T2123 A2152 | T2121-T2123 VanDerWaalsContact C-N 3.29Å; T2121-T2123 PolarHBondContact O-N 2.77Å; T2121-A2152 HydrophobicContact CG2-CB 3.81Å | ||
| 2122 | P | 29 | Very low | 27.8 | Very low | 94 Ų | 94 | 85.9 Ų | 85.9 | 61% | 0.61 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | 74.7 | -178.3 | 33.1 | -36.4 | 0 | 0 | 0 | 111.6 | ||
| 2123 | T | 36.2 | Very low | 28.2 | Very low | 60 Ų | 60 | 90.2 Ų | 90.2 | 37% | 0.368 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -168.8 | -8.8 | 171.1 | 0.4 | 0 | 0 | 0 | 0 | 116 | T2121 Y2132 I2164 | T2121-T2123 VanDerWaalsContact C-N 3.29Å; T2121-T2123 PolarHBondContact O-N 2.77Å; T2123-Y2132 HydrophobicContact CG2-CE1 4.3Å; T2123-Y2132 VanDerWaalsContact CG2-OH 3.23Å; T2123-Y2132 WeakPolarHBondContact CG2-OH 3.35Å; T2123-I2164 WeakPolarHBondContact O-CD1 3.31Å |
| 2124 | V | 35.8 | Very low | 28.5 | Very low | 4 Ų | 4 | 92.8 Ų | 92.8 | 2% | 0.024 | 53% | 0.532 | C | S | . | . | S | Bend | trans | -119.8 | -23.6 | -157.5 | -170 | 0 | 0 | 0 | 0 | 115.3 | W2155 A2156 Q2161 I2164 | V2124-W2155 HydrophobicContact CG1-CB 4.17Å; V2124-A2156 VanDerWaalsContact CG1-CA 3.49Å; V2124-A2156 HydrophobicContact CG1-CB 3.68Å; V2124-Q2161 VanDerWaalsContact O-CD 3.24Å; V2124-Q2161 PolarHBondContact O-NE2 3.06Å; V2124-Q2161 PolarHBondContact O-OE1 2.81Å; V2124-I2164 HydrophobicContact CG1-CG2 4.45Å; V2124-I2164 HydrophobicContact CG2-CD1 4.4Å; V2124-I2164 HydrophobicContact CG2-CG2 4.14Å |
| 2125 | N | 29.7 | Very low | 29 | Very low | 97 Ų | 97 | 93.9 Ų | 93.9 | 52% | 0.519 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -86.9 | -12.8 | -177.3 | -80.8 | 7.4 | 0 | 0 | 0 | 114.8 | ||
| 2126 | G | 28 | Very low | 29.8 | Very low | 24 Ų | 24 | 94 Ų | 94 | 25% | 0.247 | 53% | 0.531 | C | S | . | . | S | Bend | trans | -104.4 | 134.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V2128 | G2126-V2128 VanDerWaalsContact C-N 3.31Å; G2126-V2128 PolarHBondContact O-N 3.26Å |
| 2127 | G | 26.7 | Very low | 30.8 | Very low | 80 Ų | 80 | 91.4 Ų | 91.4 | 83% | 0.825 | 51% | 0.512 | S | S | * | . | trans | -79.6 | 63 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 2128 | V | 27.4 | Very low | 31.4 | Very low | 86 Ų | 86 | 92.5 Ų | 92.5 | 52% | 0.521 | 51% | 0.514 | S | S | . | . | trans | -113.5 | 130.4 | -174.5 | -176 | 0 | 0 | 0 | 0 | 111.6 | G2126 F2130 | G2126-V2128 VanDerWaalsContact C-N 3.31Å; G2126-V2128 PolarHBondContact O-N 3.26Å; V2128-F2130 HydrophobicContact CB-CD2 4.19Å; V2128-F2130 HydrophobicContact CB-CE2 3.9Å; V2128-F2130 HydrophobicContact CG1-CD2 4.07Å; V2128-F2130 HydrophobicContact CG1-CE2 3.73Å; V2128-F2130 HydrophobicContact CG1-CZ 4.28Å; V2128-F2130 PolarHBondContact O-N 3.19Å | ||
| 2129 | E | 26.5 | Very low | 32 | Very low | 202 Ų | 202 | 96.4 Ų | 96.4 | 94% | 0.944 | 53% | 0.525 | S | S | * | . | trans | -72.7 | 92.8 | 175.8 | -74.8 | -170.2 | 128.2 | 0 | 0 | 112 | ||||
| 2130 | F | 31.9 | Very low | 32.7 | Very low | 113 Ų | 113 | 95.8 Ų | 95.8 | 50% | 0.496 | 52% | 0.516 | S | S | . | . | trans | -88.9 | 124.8 | 166.7 | -76.4 | -82.4 | 0 | 0 | 0 | 111.7 | V2128 Y2132 | V2128-F2130 HydrophobicContact CB-CD2 4.19Å; V2128-F2130 HydrophobicContact CB-CE2 3.9Å; V2128-F2130 HydrophobicContact CG1-CD2 4.07Å; V2128-F2130 HydrophobicContact CG1-CE2 3.73Å; V2128-F2130 HydrophobicContact CG1-CZ 4.28Å; V2128-F2130 PolarHBondContact O-N 3.19Å; F2130-Y2132 HydrophobicContact CB-CE2 4.43Å; F2130-Y2132 WeakPolarHBondContact O-CD2 3.29Å; F2130-Y2132 PolarHBondContact O-N 2.78Å; F2130-Y2132 VanDerWaalsContact O-N 3.11Å | ||
| 2131 | N | 28.3 | Very low | 34.6 | Very low | 167 Ų | 167 | 98.3 Ų | 98.3 | 89% | 0.893 | 53% | 0.528 | S | S | * | . | trans | -74.3 | 96.5 | 167.3 | -87.5 | -57.6 | 0 | 0 | 0 | 109.9 | E2133 | N2131-E2133 PolarHBondContact O-N 2.72Å; N2131-E2133 VanDerWaalsContact O-N 3.15Å | ||
| 2132 | Y | 33.4 | Very low | 36.5 | Very low | 79 Ų | 79 | 97.6 Ų | 97.6 | 31% | 0.31 | 52% | 0.522 | S | S | . | . | trans | -68.4 | 104.8 | 171.1 | -66.9 | -87.7 | 0 | 0 | 0 | 110.9 | T2123 F2130 L2137 I2164 | T2123-Y2132 HydrophobicContact CG2-CE1 4.3Å; T2123-Y2132 VanDerWaalsContact CG2-OH 3.23Å; T2123-Y2132 WeakPolarHBondContact CG2-OH 3.35Å; F2130-Y2132 HydrophobicContact CB-CE2 4.43Å; F2130-Y2132 WeakPolarHBondContact O-CD2 3.29Å; F2130-Y2132 PolarHBondContact O-N 2.78Å; F2130-Y2132 VanDerWaalsContact O-N 3.11Å; Y2132-L2137 HydrophobicContact CD1-CD1 4.24Å; Y2132-I2164 HydrophobicContact CE2-CG1 4.22Å | ||
| 2133 | E | 30.3 | Very low | 38.9 | Very low | 148 Ų | 148 | 95.7 Ų | 95.7 | 69% | 0.692 | 51% | 0.507 | S | S | * | . | trans | -69.3 | 141.9 | 161.4 | -72.1 | -152.2 | 156.3 | 0 | 0 | 110.8 | N2131 N2135 T2136 | N2131-E2133 PolarHBondContact O-N 2.72Å; N2131-E2133 VanDerWaalsContact O-N 3.15Å; E2133-N2135 PolarHBondContact O-N 3.22Å; E2133-T2136 PolarHBondContact O-N 3.2Å; E2133-T2136 PolarHBondContact O-OG1 3.01Å | ||
| 2134 | E | 32.2 | Very low | 40.9 | Very low | 184 Ų | 184 | 95.8 Ų | 95.8 | 86% | 0.86 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -1.6 | -167.8 | -151.8 | 173.4 | -161 | 0 | 0 | 115.3 | N2138 | E2134-N2138 PolarHBondContact O-ND2 2.85Š|
| 2135 | N | 31.9 | Very low | 42.9 | Very low | 117 Ų | 117 | 98.9 Ų | 98.9 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -31.1 | -175.6 | -70.1 | -52.2 | 0 | 0 | 0 | 114.8 | E2133 L2137 N2138 | E2133-N2135 PolarHBondContact O-N 3.22Å; N2135-L2137 PolarHBondContact O-N 2.04Å; N2135-N2138 PolarHBondContact O-N 3Å; N2135-N2138 PolarHBondContact O-ND2 2.03Å |
| 2136 | T | 40.9 | Very low | 45.1 | Very low | 52 Ų | 52 | 96.1 Ų | 96.1 | 32% | 0.319 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -73.2 | -28.9 | -169.1 | 52.1 | 0 | 0 | 0 | 0 | 114.1 | L2096 E2133 N2138 | L2096-T2136 HydrophobicContact CD2-CG2 4.42Å; E2133-T2136 PolarHBondContact O-N 3.2Å; E2133-T2136 PolarHBondContact O-OG1 3.01Å; T2136-N2138 PolarHBondContact O-N 2.79Å |
| 2137 | L | 44.2 | Very low | 46.9 | Very low | 37 Ų | 37 | 98.9 Ų | 98.9 | 19% | 0.194 | 53% | 0.531 | C | S | . | . | G | 310 helix | trans | -69.6 | -10.2 | 178.5 | -87.7 | 150.2 | 0 | 0 | 0 | 114.5 | Y2132 N2135 F2139 I2142 | Y2132-L2137 HydrophobicContact CD1-CD1 4.24Å; N2135-L2137 PolarHBondContact O-N 2.04Å; L2137-F2139 VanDerWaalsContact C-N 3.28Å; L2137-F2139 PolarHBondContact O-N 2.94Å; L2137-I2142 HydrophobicContact CD2-CD1 4.09Å; L2137-I2142 HydrophobicContact CD2-CG1 4.14Å |
| 2138 | N | 37.2 | Very low | 49.3 | Very low | 116 Ų | 116 | 98.1 Ų | 98.1 | 62% | 0.62 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -79 | -2.2 | -174.7 | -65.2 | -73.5 | 0 | 0 | 0 | 115.1 | E2134 N2135 T2136 | E2134-N2138 PolarHBondContact O-ND2 2.85Å; N2135-N2138 PolarHBondContact O-N 3Å; N2135-N2138 PolarHBondContact O-ND2 2.03Å; T2136-N2138 PolarHBondContact O-N 2.79Å |
| 2139 | F | 40.2 | Very low | 51.9 | Low | 167 Ų | 167 | 94.7 Ų | 94.7 | 73% | 0.732 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -121.9 | 1 | -176 | -69.8 | -79.5 | 0 | 0 | 0 | 115.1 | L2137 | L2137-F2139 VanDerWaalsContact C-N 3.28Å; L2137-F2139 PolarHBondContact O-N 2.94Å |
| 2140 | L | 40.7 | Very low | 54.7 | Low | 103 Ų | 103 | 87.5 Ų | 87.5 | 54% | 0.539 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -105.6 | 144.7 | 173 | -91 | 71 | 0 | 0 | 0 | 111 | I2142 | L2140-I2142 PolarHBondContact O-N 2.04Š|
| 2141 | D | 65.1 | Low | 57.4 | Low | 98 Ų | 98 | 82.4 Ų | 82.4 | 52% | 0.524 | 43% | 0.431 | S | S | . | . | trans | -82.1 | 100.6 | 163.2 | -173.9 | -6.7 | 0 | 0 | 0 | 110 | N2143 T2144 | D2141-N2143 PolarHBondContact O-N 2.88Å; D2141-N2143 VanDerWaalsContact O-N 3.16Å; D2141-N2143 PolarHBondContact OD1-N 3.18Å; D2141-T2144 HydrophobicContact CB-CG2 4.01Å; D2141-T2144 WeakPolarHBondContact O-CB 3.46Å; D2141-T2144 WeakPolarHBondContact O-CG2 3.12Å; D2141-T2144 PolarHBondContact O-N 3.02Å; D2141-T2144 PolarHBondContact O-OG1 2.94Å | ||
| 2142 | I | 70.6 | Confident | 60.1 | Low | 21 Ų | 21 | 75 Ų | 75 | 11% | 0.108 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -17.7 | -178.6 | -67.2 | 153.1 | 0 | 0 | 0 | 113 | L2137 L2140 L2168 S2171 A2173 | L2137-I2142 HydrophobicContact CD2-CD1 4.09Å; L2137-I2142 HydrophobicContact CD2-CG1 4.14Å; L2140-I2142 PolarHBondContact O-N 2.04Å; I2142-L2168 HydrophobicContact CG2-CD2 3.96Å; I2142-S2171 VanDerWaalsContact CD1-CB 3.5Å; I2142-S2171 WeakPolarHBondContact CD1-O 3.37Å; I2142-A2173 HydrophobicContact CG2-CB 3.63Å |
| 2143 | N | 80 | Confident | 62.9 | Low | 55 Ų | 55 | 71.3 Ų | 71.3 | 29% | 0.294 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 9.7 | -178.6 | -62.7 | -72.9 | 0 | 0 | 0 | 113.4 | D2141 G2172 T2174 | D2141-N2143 PolarHBondContact O-N 2.88Å; D2141-N2143 VanDerWaalsContact O-N 3.16Å; D2141-N2143 PolarHBondContact OD1-N 3.18Å; N2143-G2172 PolarHBondContact ND2-O 3.05Å; N2143-T2174 WeakPolarHBondContact OD1-CB 3.49Å; N2143-T2174 WeakPolarHBondContact OD1-CG2 3.2Å; N2143-T2174 PolarHBondContact OD1-N 3.47Å; N2143-T2174 PolarHBondContact OD1-OG1 3.36Å |
| 2144 | T | 78.3 | Confident | 65.8 | Low | 61 Ų | 61 | 64.3 Ų | 64.3 | 37% | 0.374 | 35% | 0.346 | S | S | . | . | trans | -55.8 | 143.1 | 166.7 | 43.1 | 0 | 0 | 0 | 0 | 111.4 | D2141 T2151 | D2141-T2144 HydrophobicContact CB-CG2 4.01Å; D2141-T2144 WeakPolarHBondContact O-CB 3.46Å; D2141-T2144 WeakPolarHBondContact O-CG2 3.12Å; D2141-T2144 PolarHBondContact O-N 3.02Å; D2141-T2144 PolarHBondContact O-OG1 2.94Å; T2144-T2151 VanDerWaalsContact O-CA 3.27Å; T2144-T2151 WeakPolarHBondContact O-CA 3.49Å; T2144-T2151 WeakPolarHBondContact O-CB 3.4Å | ||
| 2145 | S | 78.2 | Confident | 68.5 | Low | 69 Ų | 69 | 58.1 Ų | 58.1 | 48% | 0.483 | 32% | 0.315 | S | S | . | . | B | Isolated β-bridge | trans | -125.9 | 145.4 | -175.6 | 63.6 | 0 | 0 | 0 | 0 | 111.9 | R2150 | S2145-R2150 CarbonylContact C-O 3.01Å; S2145-R2150 WeakPolarHBondContact CA-O 3.39Å |
| 2146 | D | 74.5 | Confident | 71.2 | Confident | 39 Ų | 39 | 52.6 Ų | 52.6 | 21% | 0.209 | 29% | 0.285 | C | S | . | . | trans | -72.8 | -176.9 | 171.5 | 70.5 | 16.6 | 0 | 0 | 0 | 113.3 | L2148 G2149 R2150 W2155 | D2146-L2148 PolarHBondContact O-N 2.95Å; D2146-L2148 VanDerWaalsContact O-N 3.14Å; D2146-L2148 WeakPolarHBondContact OD1-CA 3.05Å; D2146-L2148 WeakPolarHBondContact OD1-CB 3.07Å; D2146-L2148 PolarHBondContact OD1-N 3.42Å; D2146-G2149 PolarHBondContact O-N 3.11Å; D2146-G2149 PolarHBondContact OD1-N 3.18Å; D2146-G2149 VanDerWaalsContact OD1-N 3.13Å; D2146-R2150 PolarHBondContact N-O 3.18Å; D2146-R2150 WeakPolarHBondContact OD1-CB 3.25Å; D2146-R2150 PolarHBondContact OD1-N 2.83Å; D2146-R2150 WeakPolarHBondContact OD2-CB 3.43Å; D2146-W2155 WeakPolarHBondContact OD2-CZ2 3.44Å; D2146-W2155 PolarHBondContact OD2-NE1 2.75Å | ||
| 2147 | S | 66.5 | Low | 73.7 | Confident | 83 Ų | 83 | 50.1 Ų | 50.1 | 58% | 0.58 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -8.4 | 178.8 | 51.6 | 0 | 0 | 0 | 0 | 115 | L2180 | S2147-L2180 WeakPolarHBondContact O-CD1 3.5Š|
| 2148 | L | 76.6 | Confident | 75.7 | Confident | 64 Ų | 64 | 50.5 Ų | 50.5 | 34% | 0.335 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 0.9 | 170.5 | -61.7 | 176.2 | 0 | 0 | 0 | 112 | D2146 R2150 T2179 L2180 | D2146-L2148 PolarHBondContact O-N 2.95Å; D2146-L2148 VanDerWaalsContact O-N 3.14Å; D2146-L2148 WeakPolarHBondContact OD1-CA 3.05Å; D2146-L2148 WeakPolarHBondContact OD1-CB 3.07Å; D2146-L2148 PolarHBondContact OD1-N 3.42Å; L2148-R2150 HydrophobicContact CB-CG 4.24Å; L2148-T2179 VanDerWaalsContact O-CB 3.3Å; L2148-T2179 WeakPolarHBondContact O-CB 3.09Å; L2148-L2180 PolarHBondContact O-N 3.33Å |
| 2149 | G | 82 | Confident | 77.9 | Confident | 13 Ų | 13 | 47.5 Ų | 47.5 | 13% | 0.134 | 26% | 0.26 | C | S | . | . | S | Bend | trans | 80.4 | 10.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D2146 | D2146-G2149 PolarHBondContact O-N 3.11Å; D2146-G2149 PolarHBondContact OD1-N 3.18Å; D2146-G2149 VanDerWaalsContact OD1-N 3.13Å |
| 2150 | R | 85.4 | Confident | 80.2 | Confident | 51 Ų | 51 | 41.2 Ų | 41.2 | 19% | 0.192 | 23% | 0.234 | C | C | . | . | trans | -81.8 | 122.8 | 178.9 | -57.7 | 169.6 | 179.5 | 177 | 4.4 | 110 | S2145 D2146 L2148 H2154 W2155 T2179 | S2145-R2150 CarbonylContact C-O 3.01Å; S2145-R2150 WeakPolarHBondContact CA-O 3.39Å; D2146-R2150 PolarHBondContact N-O 3.18Å; D2146-R2150 WeakPolarHBondContact OD1-CB 3.25Å; D2146-R2150 PolarHBondContact OD1-N 2.83Å; D2146-R2150 WeakPolarHBondContact OD2-CB 3.43Å; L2148-R2150 HydrophobicContact CB-CG 4.24Å; R2150-H2154 HydrophobicContact CB-CB 3.84Å; R2150-H2154 HydrophobicContact CG-CB 4.35Å; R2150-W2155 VanDerWaalsContact NH1-CH2 3.28Å; R2150-T2179 HydrophobicContact CB-CG2 4.43Å; R2150-T2179 HydrophobicContact CG-CG2 3.59Å | ||
| 2151 | T | 89.8 | Confident | 82.1 | Confident | 7 Ų | 7 | 37.9 Ų | 37.9 | 4% | 0.043 | 22% | 0.216 | C | C | . | . | B | Isolated β-bridge | trans | -82.4 | 169.9 | 171.4 | 65.3 | 0 | 0 | 0 | 0 | 112.1 | T2144 L2153 H2154 W2155 A2177 | T2144-T2151 VanDerWaalsContact O-CA 3.27Å; T2144-T2151 WeakPolarHBondContact O-CA 3.49Å; T2144-T2151 WeakPolarHBondContact O-CB 3.4Å; T2151-L2153 PolarHBondContact O-N 2.78Å; T2151-L2153 VanDerWaalsContact O-N 3.07Å; T2151-H2154 PolarHBondContact N-ND1 2.77Å; T2151-H2154 WeakPolarHBondContact O-CB 3Å; T2151-H2154 PolarHBondContact O-N 2.76Å; T2151-H2154 PolarHBondContact OG1-ND1 3.48Å; T2151-W2155 PolarHBondContact O-N 3.46Å; T2151-A2177 HydrophobicContact CG2-CB 4.26Å |
| 2152 | A | 83.4 | Confident | 83 | Confident | 12 Ų | 12 | 34.4 Ų | 34.4 | 10% | 0.099 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -50.1 | -34.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T2121 W2155 A2156 L2168 | T2121-A2152 HydrophobicContact CG2-CB 3.81Å; A2152-W2155 PolarHBondContact O-N 2.96Å; A2152-A2156 PolarHBondContact O-N 3.45Å; A2152-L2168 HydrophobicContact CB-CD1 4.04Å; A2152-L2168 HydrophobicContact CB-CD2 4.27Å |
| 2153 | L | 92.2 | Very high | 83.3 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.2 | -29.5 | 177.9 | -172.1 | 62.9 | 0 | 0 | 0 | 113.1 | T2151 A2157 I2165 L2168 A2173 P2185 L2201 | T2151-L2153 PolarHBondContact O-N 2.78Å; T2151-L2153 VanDerWaalsContact O-N 3.07Å; L2153-A2157 WeakPolarHBondContact O-CB 3.35Å; L2153-A2157 PolarHBondContact O-N 2.79Å; L2153-I2165 HydrophobicContact CD1-CB 4.41Å; L2153-I2165 HydrophobicContact CD1-CG1 4.3Å; L2153-I2165 HydrophobicContact CD1-CG2 4.12Å; L2153-L2168 HydrophobicContact CB-CD1 4.38Å; L2153-L2168 HydrophobicContact CD1-CB 4.22Å; L2153-L2168 HydrophobicContact CD1-CD1 4.29Å; L2153-A2173 HydrophobicContact CB-CB 4.27Å; L2153-A2173 HydrophobicContact CD2-CB 3.98Å; L2153-P2185 HydrophobicContact CD2-CG 4.25Å; L2153-P2185 HydrophobicContact CG-CB 4.24Å; L2153-P2185 HydrophobicContact CG-CG 4.17Å; L2153-L2201 HydrophobicContact CD1-CD2 4.11Å; L2153-L2201 HydrophobicContact CD2-CD2 4.11Å; L2153-L2201 HydrophobicContact CG-CD2 4.17Å |
| 2154 | H | 92.1 | Very high | 83.3 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.7 | -44.2 | 173.8 | -69.7 | 81.2 | 0 | 0 | 0 | 111.1 | R2150 T2151 A2157 V2158 E2183 L2188 | R2150-H2154 HydrophobicContact CB-CB 3.84Å; R2150-H2154 HydrophobicContact CG-CB 4.35Å; T2151-H2154 PolarHBondContact N-ND1 2.77Å; T2151-H2154 WeakPolarHBondContact O-CB 3Å; T2151-H2154 PolarHBondContact O-N 2.76Å; T2151-H2154 PolarHBondContact OG1-ND1 3.48Å; H2154-A2157 WeakPolarHBondContact O-CB 3.05Å; H2154-A2157 PolarHBondContact O-N 3.15Å; H2154-V2158 WeakPolarHBondContact O-CG2 3.11Å; H2154-V2158 PolarHBondContact O-N 3.35Å; H2154-E2183 PolarHBondContact NE2-O 2.8Å; H2154-L2188 HydrophobicContact CB-CD1 3.88Å |
| 2155 | W | 89.4 | Confident | 83.6 | Confident | 55 Ų | 55 | 34.4 Ų | 34.4 | 21% | 0.208 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.1 | -44.7 | 177.8 | -71.7 | 102.4 | 0 | 0 | 0 | 111.6 | V2124 D2146 R2150 T2151 A2152 A2157 V2158 T2159 | V2124-W2155 HydrophobicContact CG1-CB 4.17Å; D2146-W2155 WeakPolarHBondContact OD2-CZ2 3.44Å; D2146-W2155 PolarHBondContact OD2-NE1 2.75Å; R2150-W2155 VanDerWaalsContact NH1-CH2 3.28Å; T2151-W2155 PolarHBondContact O-N 3.46Å; A2152-W2155 PolarHBondContact O-N 2.96Å; W2155-A2157 VanDerWaalsContact C-N 3.28Å; W2155-A2157 PolarHBondContact O-N 3.36Å; W2155-V2158 PolarHBondContact O-N 2.93Å; W2155-T2159 PolarHBondContact O-N 2.64Å; W2155-T2159 VanDerWaalsContact O-N 3.14Å; W2155-T2159 PolarHBondContact O-OG1 3.12Å |
| 2156 | A | 88.7 | Confident | 83.8 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.9 | -34.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V2124 A2152 T2159 D2160 Q2161 I2164 I2165 L2168 | V2124-A2156 VanDerWaalsContact CG1-CA 3.49Å; V2124-A2156 HydrophobicContact CG1-CB 3.68Å; A2152-A2156 PolarHBondContact O-N 3.45Å; A2156-T2159 PolarHBondContact O-N 2.74Å; A2156-T2159 PolarHBondContact O-OG1 2.9Å; A2156-D2160 PolarHBondContact O-N 2.86Å; A2156-Q2161 PolarHBondContact O-N 3.17Å; A2156-I2164 HydrophobicContact CB-CB 4.44Å; A2156-I2164 HydrophobicContact CB-CG2 3.94Å; A2156-I2165 HydrophobicContact CB-CG1 3.72Å; A2156-L2168 HydrophobicContact CB-CD1 4.14Å |
| 2157 | A | 91.8 | Very high | 83.9 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66 | -38.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | L2153 H2154 W2155 P2185 A2189 A2194 S2197 L2201 | L2153-A2157 WeakPolarHBondContact O-CB 3.35Å; L2153-A2157 PolarHBondContact O-N 2.79Å; H2154-A2157 WeakPolarHBondContact O-CB 3.05Å; H2154-A2157 PolarHBondContact O-N 3.15Å; W2155-A2157 VanDerWaalsContact C-N 3.28Å; W2155-A2157 PolarHBondContact O-N 3.36Å; A2157-P2185 HydrophobicContact CB-CB 3.93Å; A2157-P2185 WeakPolarHBondContact CB-O 3.08Å; A2157-A2189 HydrophobicContact CB-CB 4.31Å; A2157-A2194 VanDerWaalsContact O-CB 3.29Å; A2157-A2194 WeakPolarHBondContact O-CB 2.61Å; A2157-S2197 WeakPolarHBondContact CA-OG 3.41Å; A2157-S2197 VanDerWaalsContact O-CB 3.31Å; A2157-S2197 WeakPolarHBondContact O-CB 3.06Å; A2157-S2197 PolarHBondContact O-OG 3.22Å; A2157-L2201 HydrophobicContact CB-CD1 3.87Å |
| 2158 | V | 87.8 | Confident | 84.8 | Confident | 46 Ų | 46 | 32.4 Ų | 32.4 | 28% | 0.279 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -66.3 | -40.9 | 175.3 | 164.4 | 0 | 0 | 0 | 0 | 111.8 | H2154 W2155 D2160 L2188 E2192 | H2154-V2158 WeakPolarHBondContact O-CG2 3.11Å; H2154-V2158 PolarHBondContact O-N 3.35Å; W2155-V2158 PolarHBondContact O-N 2.93Å; V2158-D2160 VanDerWaalsContact C-N 3.35Å; V2158-D2160 PolarHBondContact O-N 3.38Å; V2158-L2188 HydrophobicContact CG2-CB 3.89Å; V2158-L2188 HydrophobicContact CG2-CD1 3.95Å; V2158-L2188 HydrophobicContact CG2-CG 4.44Å; V2158-E2192 HydrophobicContact CG1-CG 4.34Å; V2158-E2192 HydrophobicContact CG2-CG 4.39Å |
| 2159 | T | 82.2 | Confident | 85.3 | Confident | 53 Ų | 53 | 30.4 Ų | 30.4 | 33% | 0.325 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 5.1 | -174.5 | 57.4 | 0 | 0 | 0 | 0 | 115.2 | W2155 A2156 Q2161 | W2155-T2159 PolarHBondContact O-N 2.64Å; W2155-T2159 VanDerWaalsContact O-N 3.14Å; W2155-T2159 PolarHBondContact O-OG1 3.12Å; A2156-T2159 PolarHBondContact O-N 2.74Å; A2156-T2159 PolarHBondContact O-OG1 2.9Å; T2159-Q2161 PolarHBondContact O-N 3.5Å; T2159-Q2161 VanDerWaalsContact OG1-CD 3.22Å; T2159-Q2161 WeakPolarHBondContact OG1-CG 3.47Å |
| 2160 | D | 88.1 | Confident | 85.3 | Confident | 35 Ų | 35 | 35.2 Ų | 35.2 | 19% | 0.187 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 26.3 | -176.4 | -155.2 | 54.1 | 0 | 0 | 0 | 114.9 | A2156 V2158 S2162 A2194 V2195 K2196 S2197 | A2156-D2160 PolarHBondContact O-N 2.86Å; V2158-D2160 VanDerWaalsContact C-N 3.35Å; V2158-D2160 PolarHBondContact O-N 3.38Å; D2160-S2162 PolarHBondContact O-N 2.88Å; D2160-A2194 HydrophobicContact CB-CB 3.85Å; D2160-A2194 VanDerWaalsContact OD1-CA 3.3Å; D2160-A2194 WeakPolarHBondContact OD1-CA 3.44Å; D2160-A2194 WeakPolarHBondContact OD1-CB 3.4Å; D2160-V2195 PolarHBondContact OD1-N 2.03Å; D2160-K2196 PolarHBondContact O-NZ 3.07Å; D2160-K2196 WeakPolarHBondContact OD1-CA 3.43Å; D2160-K2196 VanDerWaalsContact OD1-CB 3.31Å; D2160-K2196 WeakPolarHBondContact OD1-CB 3.35Å; D2160-K2196 PolarHBondContact OD1-N 3.18Å; D2160-K2196 WeakPolarHBondContact OD2-CB 3.18Å; D2160-K2196 WeakPolarHBondContact OD2-CE 3.4Å; D2160-K2196 WeakPolarHBondContact OD2-CG 3.15Å; D2160-K2196 IonicContact OD2-NZ 3.17Å; D2160-K2196 PolarHBondContact OD2-NZ 2.85Å; D2160-S2197 WeakPolarHBondContact CA-OG 3.35Å; D2160-S2197 PolarHBondContact OD1-N 3.27Å |
| 2161 | Q | 82 | Confident | 85.1 | Confident | 33 Ų | 33 | 35.4 Ų | 35.4 | 15% | 0.154 | 20% | 0.196 | C | C | . | . | trans | -81 | 83.2 | -176.9 | -74.8 | 177.8 | 3.3 | 0 | 0 | 111.9 | V2124 A2156 T2159 D2163 I2164 I2165 | V2124-Q2161 VanDerWaalsContact O-CD 3.24Å; V2124-Q2161 PolarHBondContact O-NE2 3.06Å; V2124-Q2161 PolarHBondContact O-OE1 2.81Å; A2156-Q2161 PolarHBondContact O-N 3.17Å; T2159-Q2161 PolarHBondContact O-N 3.5Å; T2159-Q2161 VanDerWaalsContact OG1-CD 3.22Å; T2159-Q2161 WeakPolarHBondContact OG1-CG 3.47Å; Q2161-D2163 VanDerWaalsContact C-N 3.27Å; Q2161-D2163 PolarHBondContact O-N 2.79Å; Q2161-I2164 HydrophobicContact CB-CB 4.39Å; Q2161-I2164 PolarHBondContact O-N 3Å; Q2161-I2165 WeakPolarHBondContact O-CG1 2.99Å; Q2161-I2165 PolarHBondContact O-N 3.21Å | ||
| 2162 | S | 83 | Confident | 84.8 | Confident | 25 Ų | 25 | 37.2 Ų | 37.2 | 18% | 0.175 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -48.3 | -44 | -177 | 32.5 | 0 | 0 | 0 | 0 | 114.8 | D2160 I2165 H2166 L2200 | D2160-S2162 PolarHBondContact O-N 2.88Å; S2162-I2165 PolarHBondContact O-N 2.02Å; S2162-H2166 WeakPolarHBondContact O-CB 3.39Å; S2162-H2166 PolarHBondContact O-N 2.87Å; S2162-L2200 VanDerWaalsContact CA-CD1 3.43Å; S2162-L2200 VanDerWaalsContact CB-CD1 3.49Å; S2162-L2200 WeakPolarHBondContact O-CD1 3.26Å |
| 2163 | D | 78.2 | Confident | 85 | Confident | 118 Ų | 118 | 37 Ų | 37 | 63% | 0.631 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -84.1 | -30.2 | -165.4 | -53.8 | -83.5 | 0 | 0 | 0 | 111.3 | Q2161 S2167 | Q2161-D2163 VanDerWaalsContact C-N 3.27Å; Q2161-D2163 PolarHBondContact O-N 2.79Å; D2163-S2167 WeakPolarHBondContact O-CB 3.42Å; D2163-S2167 PolarHBondContact O-N 2.04Å; D2163-S2167 PolarHBondContact O-OG 3.41Å |
| 2164 | I | 78.4 | Confident | 84.8 | Confident | 19 Ų | 19 | 40.2 Ų | 40.2 | 10% | 0.097 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.9 | -44.8 | 167.3 | -61.9 | -164.5 | 0 | 0 | 0 | 110.4 | T2123 V2124 Y2132 A2156 Q2161 H2166 S2167 L2168 | T2123-I2164 WeakPolarHBondContact O-CD1 3.31Å; V2124-I2164 HydrophobicContact CG1-CG2 4.45Å; V2124-I2164 HydrophobicContact CG2-CD1 4.4Å; V2124-I2164 HydrophobicContact CG2-CG2 4.14Å; Y2132-I2164 HydrophobicContact CE2-CG1 4.22Å; A2156-I2164 HydrophobicContact CB-CB 4.44Å; A2156-I2164 HydrophobicContact CB-CG2 3.94Å; Q2161-I2164 HydrophobicContact CB-CB 4.39Å; Q2161-I2164 PolarHBondContact O-N 3Å; I2164-H2166 VanDerWaalsContact C-N 3.32Å; I2164-H2166 PolarHBondContact O-N 3.46Å; I2164-S2167 PolarHBondContact O-N 2.92Å; I2164-L2168 HydrophobicContact CG2-CD1 3.67Å; I2164-L2168 HydrophobicContact CG2-CG 3.95Å; I2164-L2168 WeakPolarHBondContact O-CB 3.01Å; I2164-L2168 VanDerWaalsContact O-CG 3.27Å; I2164-L2168 WeakPolarHBondContact O-CG 3.06Å; I2164-L2168 PolarHBondContact O-N 2.87Å |
| 2165 | I | 84.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.8 | -48 | 174.5 | -68.7 | 170.4 | 0 | 0 | 0 | 110.9 | L2153 A2156 Q2161 S2162 S2167 L2168 C2169 S2197 L2200 L2201 | L2153-I2165 HydrophobicContact CD1-CB 4.41Å; L2153-I2165 HydrophobicContact CD1-CG1 4.3Å; L2153-I2165 HydrophobicContact CD1-CG2 4.12Å; A2156-I2165 HydrophobicContact CB-CG1 3.72Å; Q2161-I2165 WeakPolarHBondContact O-CG1 2.99Å; Q2161-I2165 PolarHBondContact O-N 3.21Å; S2162-I2165 PolarHBondContact O-N 2.02Å; I2165-S2167 VanDerWaalsContact C-N 3.34Å; I2165-S2167 PolarHBondContact O-N 3.16Å; I2165-L2168 PolarHBondContact O-N 3.1Å; I2165-C2169 WeakPolarHBondContact O-CB 3.36Å; I2165-C2169 PolarHBondContact O-N 2.85Å; I2165-C2169 PolarHBondContact O-SG 2.03Å; I2165-C2169 VanDerWaalsContact O-SG 3.34Å; I2165-S2197 WeakPolarHBondContact CD1-OG 3.42Å; I2165-L2200 HydrophobicContact CG2-CB 3.9Å; I2165-L2200 HydrophobicContact CG2-CD1 4.48Å; I2165-L2201 HydrophobicContact CG2-CD2 4.25Å; I2165-L2201 HydrophobicContact CG2-CG 4.43Å |
| 2166 | H | 82.4 | Confident | 84.9 | Confident | 99 Ų | 99 | 41.7 Ų | 41.7 | 46% | 0.458 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.3 | -41.9 | 179.1 | -175.2 | -111.1 | 0 | 0 | 0 | 111.6 | S2162 I2164 N2170 | S2162-H2166 WeakPolarHBondContact O-CB 3.39Å; S2162-H2166 PolarHBondContact O-N 2.87Å; I2164-H2166 VanDerWaalsContact C-N 3.32Å; I2164-H2166 PolarHBondContact O-N 3.46Å; H2166-N2170 PolarHBondContact CE1-ND2 2.86Å; H2166-N2170 PolarHBondContact ND1-ND2 3.46Å; H2166-N2170 PolarHBondContact NE2-ND2 3.4Å; H2166-N2170 WeakPolarHBondContact O-CB 3.27Å; H2166-N2170 VanDerWaalsContact O-CG 3.22Å; H2166-N2170 PolarHBondContact O-N 3.08Å; H2166-N2170 PolarHBondContact O-ND2 2.82Å |
| 2167 | S | 77 | Confident | 85 | Confident | 34 Ų | 34 | 42.5 Ų | 42.5 | 24% | 0.238 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.4 | -50.4 | 177.1 | -57.9 | 0 | 0 | 0 | 0 | 112 | D2163 I2164 I2165 C2169 N2170 S2171 | D2163-S2167 WeakPolarHBondContact O-CB 3.42Å; D2163-S2167 PolarHBondContact O-N 2.04Å; D2163-S2167 PolarHBondContact O-OG 3.41Å; I2164-S2167 PolarHBondContact O-N 2.92Å; I2165-S2167 VanDerWaalsContact C-N 3.34Å; I2165-S2167 PolarHBondContact O-N 3.16Å; S2167-C2169 PolarHBondContact O-N 2.88Å; S2167-N2170 PolarHBondContact O-N 2.89Å; S2167-S2171 PolarHBondContact O-N 3.4Å; S2167-S2171 PolarHBondContact O-OG 3.13Å |
| 2168 | L | 85.1 | Confident | 84.8 | Confident | 16 Ų | 16 | 46.3 Ų | 46.3 | 8% | 0.084 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.6 | -46.7 | 177.6 | -69.1 | 175.5 | 0 | 0 | 0 | 112 | I2142 A2152 L2153 A2156 I2164 I2165 N2170 S2171 G2172 A2173 | I2142-L2168 HydrophobicContact CG2-CD2 3.96Å; A2152-L2168 HydrophobicContact CB-CD1 4.04Å; A2152-L2168 HydrophobicContact CB-CD2 4.27Å; L2153-L2168 HydrophobicContact CB-CD1 4.38Å; L2153-L2168 HydrophobicContact CD1-CB 4.22Å; L2153-L2168 HydrophobicContact CD1-CD1 4.29Å; A2156-L2168 HydrophobicContact CB-CD1 4.14Å; I2164-L2168 HydrophobicContact CG2-CD1 3.67Å; I2164-L2168 HydrophobicContact CG2-CG 3.95Å; I2164-L2168 WeakPolarHBondContact O-CB 3.01Å; I2164-L2168 VanDerWaalsContact O-CG 3.27Å; I2164-L2168 WeakPolarHBondContact O-CG 3.06Å; I2164-L2168 PolarHBondContact O-N 2.87Å; I2165-L2168 PolarHBondContact O-N 3.1Å; L2168-N2170 PolarHBondContact O-N 3.25Å; L2168-S2171 CarbonylContact O-C 3.47Å; L2168-S2171 PolarHBondContact O-N 3.4Å; L2168-G2172 PolarHBondContact O-N 3.17Å; L2168-G2172 VanDerWaalsContact O-N 3.16Å; L2168-A2173 HydrophobicContact CB-CB 3.92Å; L2168-A2173 WeakPolarHBondContact O-CB 3.33Å; L2168-A2173 PolarHBondContact O-N 2.85Å |
| 2169 | C | 87.4 | Confident | 84.9 | Confident | 21 Ų | 21 | 44.6 Ų | 44.6 | 14% | 0.142 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 176.6 | -73.4 | 0 | 0 | 0 | 0 | 112.2 | I2165 S2167 S2171 G2172 S2204 | I2165-C2169 WeakPolarHBondContact O-CB 3.36Å; I2165-C2169 PolarHBondContact O-N 2.85Å; I2165-C2169 PolarHBondContact O-SG 2.03Å; I2165-C2169 VanDerWaalsContact O-SG 3.34Å; S2167-C2169 PolarHBondContact O-N 2.88Å; C2169-S2171 VanDerWaalsContact C-N 3.34Å; C2169-G2172 PolarHBondContact O-N 2.74Å; C2169-S2204 PolarHBondContact SG-OG 3.22Å; C2169-S2204 VanDerWaalsContact SG-OG 3.39Å |
| 2170 | N | 82.7 | Confident | 85 | Confident | 115 Ų | 115 | 48.2 Ų | 48.2 | 62% | 0.615 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -68.1 | -32.3 | 176.9 | -74.5 | -40.2 | 0 | 0 | 0 | 112.7 | H2166 S2167 L2168 G2172 | H2166-N2170 PolarHBondContact CE1-ND2 2.86Å; H2166-N2170 PolarHBondContact ND1-ND2 3.46Å; H2166-N2170 PolarHBondContact NE2-ND2 3.4Å; H2166-N2170 WeakPolarHBondContact O-CB 3.27Å; H2166-N2170 VanDerWaalsContact O-CG 3.22Å; H2166-N2170 PolarHBondContact O-N 3.08Å; H2166-N2170 PolarHBondContact O-ND2 2.82Å; S2167-N2170 PolarHBondContact O-N 2.89Å; L2168-N2170 PolarHBondContact O-N 3.25Å; N2170-G2172 VanDerWaalsContact C-N 3.29Å; N2170-G2172 PolarHBondContact O-N 2.8Å |
| 2171 | S | 80.3 | Confident | 85 | Confident | 54 Ų | 54 | 50.2 Ų | 50.2 | 38% | 0.378 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 2.2 | 175.2 | -58.9 | 0 | 0 | 0 | 0 | 114.4 | I2142 S2167 L2168 C2169 | I2142-S2171 VanDerWaalsContact CD1-CB 3.5Å; I2142-S2171 WeakPolarHBondContact CD1-O 3.37Å; S2167-S2171 PolarHBondContact O-N 3.4Å; S2167-S2171 PolarHBondContact O-OG 3.13Å; L2168-S2171 CarbonylContact O-C 3.47Å; L2168-S2171 PolarHBondContact O-N 3.4Å; C2169-S2171 VanDerWaalsContact C-N 3.34Å |
| 2172 | G | 83.1 | Confident | 85.3 | Confident | 45 Ų | 45 | 53.7 Ų | 53.7 | 46% | 0.464 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.9 | 24.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116 | N2143 L2168 C2169 N2170 | N2143-G2172 PolarHBondContact ND2-O 3.05Å; L2168-G2172 PolarHBondContact O-N 3.17Å; L2168-G2172 VanDerWaalsContact O-N 3.16Å; C2169-G2172 PolarHBondContact O-N 2.74Å; N2170-G2172 VanDerWaalsContact C-N 3.29Å; N2170-G2172 PolarHBondContact O-N 2.8Å |
| 2173 | A | 87.4 | Confident | 85.6 | Confident | 8 Ų | 8 | 52.9 Ų | 52.9 | 7% | 0.066 | 30% | 0.295 | C | S | . | . | trans | -60.9 | 140.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112 | I2142 L2153 L2168 V2175 | I2142-A2173 HydrophobicContact CG2-CB 3.63Å; L2153-A2173 HydrophobicContact CB-CB 4.27Å; L2153-A2173 HydrophobicContact CD2-CB 3.98Å; L2168-A2173 HydrophobicContact CB-CB 3.92Å; L2168-A2173 WeakPolarHBondContact O-CB 3.33Å; L2168-A2173 PolarHBondContact O-N 2.85Å; A2173-V2175 PolarHBondContact O-N 2.86Å; A2173-V2175 VanDerWaalsContact O-N 3.12Å | ||
| 2174 | T | 89.2 | Confident | 86.4 | Confident | 68 Ų | 68 | 47.3 Ų | 47.3 | 42% | 0.417 | 27% | 0.266 | S | S | . | . | trans | -75.8 | 98.9 | 178.7 | 41.7 | 0 | 0 | 0 | 0 | 111 | N2143 D2176 A2177 | N2143-T2174 WeakPolarHBondContact OD1-CB 3.49Å; N2143-T2174 WeakPolarHBondContact OD1-CG2 3.2Å; N2143-T2174 PolarHBondContact OD1-N 3.47Å; N2143-T2174 PolarHBondContact OD1-OG1 3.36Å; T2174-D2176 PolarHBondContact O-N 2.99Å; T2174-A2177 VanDerWaalsContact O-CB 3.31Å; T2174-A2177 WeakPolarHBondContact O-CB 3.44Å; T2174-A2177 PolarHBondContact O-N 3.36Å | ||
| 2175 | V | 91.4 | Very high | 87.2 | Confident | 24 Ų | 24 | 46.4 Ų | 46.4 | 15% | 0.145 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -36 | -176.4 | -174.1 | 0 | 0 | 0 | 0 | 113 | A2173 L2201 A2206 | A2173-V2175 PolarHBondContact O-N 2.86Å; A2173-V2175 VanDerWaalsContact O-N 3.12Å; V2175-L2201 HydrophobicContact CG1-CD2 4.21Å; V2175-A2206 HydrophobicContact CG1-CB 3.63Å |
| 2176 | D | 92.4 | Very high | 87.7 | Confident | 63 Ų | 63 | 46.4 Ų | 46.4 | 34% | 0.337 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 28.1 | 178.6 | -71 | -24.1 | 0 | 0 | 0 | 112.6 | T2174 A2206 N2207 L2210 | T2174-D2176 PolarHBondContact O-N 2.99Å; D2176-A2206 WeakPolarHBondContact OD1-CA 3.41Å; D2176-N2207 PolarHBondContact OD1-N 2.93Å; D2176-N2207 VanDerWaalsContact OD2-CB 3.27Å; D2176-N2207 WeakPolarHBondContact OD2-CB 3.15Å; D2176-L2210 HydrophobicContact CB-CD1 3.8Å |
| 2177 | A | 89.8 | Confident | 88.2 | Confident | 16 Ų | 16 | 41.7 Ų | 41.7 | 13% | 0.132 | 24% | 0.24 | C | C | . | . | trans | -57.4 | 151.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | T2151 T2174 T2184 P2185 | T2151-A2177 HydrophobicContact CG2-CB 4.26Å; T2174-A2177 VanDerWaalsContact O-CB 3.31Å; T2174-A2177 WeakPolarHBondContact O-CB 3.44Å; T2174-A2177 PolarHBondContact O-N 3.36Å; A2177-T2184 VanDerWaalsContact O-CA 3.31Å; A2177-T2184 WeakPolarHBondContact O-CA 3.27Å; A2177-P2185 WeakPolarHBondContact O-CD 3.46Å | ||
| 2178 | Q | 88.5 | Confident | 89 | Confident | 81 Ų | 81 | 40.1 Ų | 40.1 | 38% | 0.379 | 23% | 0.229 | S | C | . | . | trans | -128.2 | 138 | 179.8 | -76.1 | -175.5 | -75.1 | 0 | 0 | 110.6 | E2182 E2183 T2184 | Q2178-E2182 PolarHBondContact NE2-O 2.89Å; Q2178-E2183 WeakPolarHBondContact CA-O 3.12Å; Q2178-T2184 HydrophobicContact CG-CG2 3.73Å | ||
| 2179 | T | 89.1 | Confident | 89.5 | Confident | 10 Ų | 10 | 39.4 Ų | 39.4 | 6% | 0.061 | 23% | 0.225 | C | C | . | . | trans | -70.6 | 176.4 | 172.3 | 62.6 | 0 | 0 | 0 | 0 | 112.3 | L2148 R2150 H2181 E2182 E2183 | L2148-T2179 VanDerWaalsContact O-CB 3.3Å; L2148-T2179 WeakPolarHBondContact O-CB 3.09Å; R2150-T2179 HydrophobicContact CB-CG2 4.43Å; R2150-T2179 HydrophobicContact CG-CG2 3.59Å; T2179-H2181 PolarHBondContact O-N 2.99Å; T2179-H2181 VanDerWaalsContact O-N 3.1Å; T2179-H2181 PolarHBondContact OG1-N 2.98Å; T2179-E2182 WeakPolarHBondContact O-CA 3.4Å; T2179-E2182 PolarHBondContact O-N 3.05Å; T2179-E2183 HydrophobicContact CG2-CB 4.43Å; T2179-E2183 WeakPolarHBondContact CG2-O 3.33Å; T2179-E2183 PolarHBondContact N-O 3.37Å; T2179-E2183 WeakPolarHBondContact OG1-CB 3.24Å; T2179-E2183 PolarHBondContact OG1-N 2.68Å; T2179-E2183 VanDerWaalsContact OG1-N 3.14Å; T2179-E2183 PolarHBondContact OG1-O 2.96Å | ||
| 2180 | L | 84.7 | Confident | 89.8 | Confident | 128 Ų | 128 | 38.4 Ų | 38.4 | 67% | 0.67 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | -10.5 | 167.6 | -64 | -180 | 0 | 0 | 0 | 113.7 | S2147 L2148 | S2147-L2180 WeakPolarHBondContact O-CD1 3.5Å; L2148-L2180 PolarHBondContact O-N 3.33Å |
| 2181 | H | 87.3 | Confident | 90.3 | Very high | 78 Ų | 78 | 36.8 Ų | 36.8 | 36% | 0.361 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 14.7 | 171.6 | -62.2 | -49.7 | 0 | 0 | 0 | 112.6 | T2179 E2183 Y2213 | T2179-H2181 PolarHBondContact O-N 2.99Å; T2179-H2181 VanDerWaalsContact O-N 3.1Å; T2179-H2181 PolarHBondContact OG1-N 2.98Å; H2181-E2183 HydrophobicContact CB-CG 4.14Å; H2181-E2183 PolarHBondContact O-N 3.15Å; H2181-Y2213 HydrophobicContact CB-CD1 3.74Å; H2181-Y2213 HydrophobicContact CB-CE1 4.04Å; H2181-Y2213 HydrophobicContact CB-CG 4.4Å; H2181-Y2213 WeakPolarHBondContact O-CB 3.03Å; H2181-Y2213 VanDerWaalsContact O-CD1 3.24Å; H2181-Y2213 WeakPolarHBondContact O-CD1 3.06Å; H2181-Y2213 PolarHBondContact O-N 3.42Å |
| 2182 | E | 89 | Confident | 90.9 | Very high | 106 Ų | 106 | 38.4 Ų | 38.4 | 50% | 0.495 | 21% | 0.205 | S | C | . | . | trans | 60 | 7.1 | -176.6 | -61.4 | -173.1 | -163.1 | 0 | 0 | 114.5 | Q2178 T2179 | Q2178-E2182 PolarHBondContact NE2-O 2.89Å; T2179-E2182 WeakPolarHBondContact O-CA 3.4Å; T2179-E2182 PolarHBondContact O-N 3.05Å | ||
| 2183 | E | 90.1 | Very high | 91.3 | Very high | 7 Ų | 7 | 37.2 Ų | 37.2 | 3% | 0.033 | 19% | 0.193 | C | C | . | . | trans | -69.6 | 132.6 | 175.5 | -57.1 | -172.2 | 117.2 | 0 | 0 | 110.6 | H2154 Q2178 T2179 H2181 A2187 L2188 R2191 D2212 | H2154-E2183 PolarHBondContact NE2-O 2.8Å; Q2178-E2183 WeakPolarHBondContact CA-O 3.12Å; T2179-E2183 HydrophobicContact CG2-CB 4.43Å; T2179-E2183 WeakPolarHBondContact CG2-O 3.33Å; T2179-E2183 PolarHBondContact N-O 3.37Å; T2179-E2183 WeakPolarHBondContact OG1-CB 3.24Å; T2179-E2183 PolarHBondContact OG1-N 2.68Å; T2179-E2183 VanDerWaalsContact OG1-N 3.14Å; T2179-E2183 PolarHBondContact OG1-O 2.96Å; H2181-E2183 HydrophobicContact CB-CG 4.14Å; H2181-E2183 PolarHBondContact O-N 3.15Å; E2183-A2187 HydrophobicContact CB-CB 4.35Å; E2183-L2188 HydrophobicContact CB-CD2 4.22Å; E2183-L2188 HydrophobicContact CB-CG 4.42Å; E2183-L2188 WeakPolarHBondContact OE2-CD2 3.29Å; E2183-R2191 IonicContact OE1-CZ 2.76Å; E2183-R2191 IonicContact OE1-NH1 3.23Å; E2183-R2191 PolarHBondContact OE1-NH1 3.43Å; E2183-R2191 IonicContact OE2-NH1 3.63Å; E2183-R2191 PolarHBondContact OE2-NH1 3.23Å; E2183-D2212 HydrophobicContact CG-CB 3.94Å | ||
| 2184 | T | 94.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | trans | -91.3 | 165.9 | 173 | 59.6 | 0 | 0 | 0 | 0 | 112.4 | A2177 Q2178 L2186 A2187 L2188 L2210 | A2177-T2184 VanDerWaalsContact O-CA 3.31Å; A2177-T2184 WeakPolarHBondContact O-CA 3.27Å; Q2178-T2184 HydrophobicContact CG-CG2 3.73Å; T2184-L2186 PolarHBondContact O-N 3.04Å; T2184-A2187 WeakPolarHBondContact O-CB 3.47Å; T2184-A2187 PolarHBondContact O-N 3.03Å; T2184-A2187 WeakPolarHBondContact OG1-CB 3.48Å; T2184-A2187 PolarHBondContact OG1-N 3.17Å; T2184-L2188 PolarHBondContact O-N 3.45Å; T2184-L2210 HydrophobicContact CG2-CB 3.85Å; T2184-L2210 HydrophobicContact CG2-CD1 3.75Å; T2184-L2210 HydrophobicContact CG2-CG 4.45Å | ||
| 2185 | P | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -53 | -36.8 | 168.9 | -26.8 | 34.3 | 0 | 0 | 0 | 112.8 | L2153 A2157 A2177 A2189 L2201 | L2153-P2185 HydrophobicContact CD2-CG 4.25Å; L2153-P2185 HydrophobicContact CG-CB 4.24Å; L2153-P2185 HydrophobicContact CG-CG 4.17Å; A2157-P2185 HydrophobicContact CB-CB 3.93Å; A2157-P2185 WeakPolarHBondContact CB-O 3.08Å; A2177-P2185 WeakPolarHBondContact O-CD 3.46Å; P2185-A2189 WeakPolarHBondContact O-CB 3.47Å; P2185-A2189 PolarHBondContact O-N 3.2Å; P2185-L2201 HydrophobicContact CB-CD1 3.98Å; P2185-L2201 HydrophobicContact CB-CD2 4.14Å |
| 2186 | L | 96.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.3 | -41.3 | 175.2 | -178.5 | 65.8 | 0 | 0 | 0 | 111.7 | T2184 A2189 C2190 C2198 L2201 L2202 A2206 L2208 P2218 L2234 | T2184-L2186 PolarHBondContact O-N 3.04Å; L2186-A2189 PolarHBondContact O-N 2.92Å; L2186-C2190 VanDerWaalsContact O-CB 3.27Å; L2186-C2190 WeakPolarHBondContact O-CB 2.62Å; L2186-C2190 PolarHBondContact O-N 3.02Å; L2186-C2190 PolarHBondContact O-SG 3Å; L2186-C2198 HydrophobicContact CD1-CB 4.38Å; L2186-L2201 HydrophobicContact CB-CD1 4.46Å; L2186-L2201 HydrophobicContact CD1-CB 4.34Å; L2186-L2202 HydrophobicContact CD1-CD2 4.23Å; L2186-L2202 HydrophobicContact CD1-CG 4.08Å; L2186-L2202 HydrophobicContact CD2-CD2 3.8Å; L2186-A2206 HydrophobicContact CB-CB 4.03Å; L2186-A2206 HydrophobicContact CD2-CB 3.86Å; L2186-A2206 HydrophobicContact CG-CB 4.4Å; L2186-L2208 HydrophobicContact CD2-CD2 4.44Å; L2186-P2218 HydrophobicContact CD2-CB 4.33Å; L2186-P2218 HydrophobicContact CD2-CG 4.28Å; L2186-P2218 HydrophobicContact CG-CB 4.13Å; L2186-P2218 HydrophobicContact CG-CG 4.34Å; L2186-L2234 HydrophobicContact CD1-CD2 4.43Å; L2186-L2234 HydrophobicContact CD2-CD2 4.44Å |
| 2187 | A | 93.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.1 | -46.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | E2183 T2184 C2190 R2191 P2218 L2221 | E2183-A2187 HydrophobicContact CB-CB 4.35Å; T2184-A2187 WeakPolarHBondContact O-CB 3.47Å; T2184-A2187 PolarHBondContact O-N 3.03Å; T2184-A2187 WeakPolarHBondContact OG1-CB 3.48Å; T2184-A2187 PolarHBondContact OG1-N 3.17Å; A2187-C2190 PolarHBondContact O-N 3.27Å; A2187-R2191 WeakPolarHBondContact O-CB 3.34Å; A2187-R2191 PolarHBondContact O-N 2.87Å; A2187-P2218 HydrophobicContact CB-CG 4.28Å; A2187-L2221 HydrophobicContact CB-CD1 3.71Å |
| 2188 | L | 92.9 | Very high | 92 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.1 | -51.5 | 175.4 | -66.8 | -177.9 | 0 | 0 | 0 | 112.1 | H2154 V2158 E2183 T2184 C2190 R2191 E2192 | H2154-L2188 HydrophobicContact CB-CD1 3.88Å; V2158-L2188 HydrophobicContact CG2-CB 3.89Å; V2158-L2188 HydrophobicContact CG2-CD1 3.95Å; V2158-L2188 HydrophobicContact CG2-CG 4.44Å; E2183-L2188 HydrophobicContact CB-CD2 4.22Å; E2183-L2188 HydrophobicContact CB-CG 4.42Å; E2183-L2188 WeakPolarHBondContact OE2-CD2 3.29Å; T2184-L2188 PolarHBondContact O-N 3.45Å; L2188-C2190 PolarHBondContact O-N 3.03Å; L2188-R2191 WeakPolarHBondContact O-CA 2.35Å; L2188-R2191 WeakPolarHBondContact O-CB 3.18Å; L2188-R2191 PolarHBondContact O-N 3.14Å; L2188-E2192 PolarHBondContact O-N 2.87Å |
| 2189 | A | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.7 | -37.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A2157 P2185 L2186 G2193 A2194 C2198 L2201 | A2157-A2189 HydrophobicContact CB-CB 4.31Å; P2185-A2189 WeakPolarHBondContact O-CB 3.47Å; P2185-A2189 PolarHBondContact O-N 3.2Å; L2186-A2189 PolarHBondContact O-N 2.92Å; A2189-G2193 PolarHBondContact O-N 3.23Å; A2189-G2193 VanDerWaalsContact O-N 3.09Å; A2189-A2194 HydrophobicContact CB-CB 4.08Å; A2189-A2194 PolarHBondContact O-N 3.4Å; A2189-C2198 VanDerWaalsContact C-SG 3.57Å; A2189-C2198 VanDerWaalsContact CB-SG 3.58Å; A2189-L2201 HydrophobicContact CB-CD1 4.22Å |
| 2190 | C | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.8 | -28.3 | 175.5 | -68.8 | 0 | 0 | 0 | 0 | 113.5 | L2186 A2187 L2188 P2218 A2222 H2227 I2230 | L2186-C2190 VanDerWaalsContact O-CB 3.27Å; L2186-C2190 WeakPolarHBondContact O-CB 2.62Å; L2186-C2190 PolarHBondContact O-N 3.02Å; L2186-C2190 PolarHBondContact O-SG 3Å; A2187-C2190 PolarHBondContact O-N 3.27Å; L2188-C2190 PolarHBondContact O-N 3.03Å; C2190-P2218 HydrophobicContact CB-CB 4.11Å; C2190-P2218 VanDerWaalsContact CB-O 3.24Å; C2190-P2218 WeakPolarHBondContact CB-O 3.01Å; C2190-A2222 HydrophobicContact CB-CB 4.09Å; C2190-A2222 VanDerWaalsContact O-CA 3.25Å; C2190-A2222 WeakPolarHBondContact O-CA 3.39Å; C2190-H2227 PolarHBondContact O-CD2 2.97Å; C2190-I2230 HydrophobicContact CB-CG2 4.35Å |
| 2191 | R | 93.7 | Very high | 92.8 | Very high | 81 Ų | 81 | 31.9 Ų | 31.9 | 31% | 0.306 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -75.3 | -48 | 177.3 | -165.3 | -179.3 | 73.3 | -169.5 | 5.1 | 111.2 | E2183 A2187 L2188 L2221 H2227 | E2183-R2191 IonicContact OE1-CZ 2.76Å; E2183-R2191 IonicContact OE1-NH1 3.23Å; E2183-R2191 PolarHBondContact OE1-NH1 3.43Å; E2183-R2191 IonicContact OE2-NH1 3.63Å; E2183-R2191 PolarHBondContact OE2-NH1 3.23Å; A2187-R2191 WeakPolarHBondContact O-CB 3.34Å; A2187-R2191 PolarHBondContact O-N 2.87Å; L2188-R2191 WeakPolarHBondContact O-CA 2.35Å; L2188-R2191 WeakPolarHBondContact O-CB 3.18Å; L2188-R2191 PolarHBondContact O-N 3.14Å; R2191-L2221 HydrophobicContact CB-CB 4.49Å; R2191-H2227 PolarHBondContact O-CD2 3.23Å; R2191-H2227 PolarHBondContact O-NE2 2.77Å |
| 2192 | E | 92.2 | Very high | 93.1 | Very high | 89 Ų | 89 | 28.7 Ų | 28.7 | 42% | 0.416 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -79.4 | -23.4 | -176.4 | -51.4 | -44.1 | 145.7 | 0 | 0 | 113.9 | V2158 L2188 H2227 | V2158-E2192 HydrophobicContact CG1-CG 4.34Å; V2158-E2192 HydrophobicContact CG2-CG 4.39Å; L2188-E2192 PolarHBondContact O-N 2.87Å; E2192-H2227 PolarHBondContact O-NE2 2.99Å |
| 2193 | G | 92.1 | Very high | 93.2 | Very high | 20 Ų | 20 | 29.4 Ų | 29.4 | 21% | 0.206 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.3 | 18.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | A2189 V2195 H2227 I2230 | A2189-G2193 PolarHBondContact O-N 3.23Å; A2189-G2193 VanDerWaalsContact O-N 3.09Å; G2193-V2195 PolarHBondContact O-N 3.05Å; G2193-H2227 VanDerWaalsContact CA-CE1 3.47Å; G2193-H2227 WeakPolarHBondContact CA-CE1 3.22Å; G2193-H2227 WeakPolarHBondContact CA-NE2 3.39Å; G2193-H2227 PolarHBondContact N-NE2 3.21Å; G2193-I2230 VanDerWaalsContact C-CD1 3.49Å |
| 2194 | A | 93.3 | Very high | 93.1 | Very high | 6 Ų | 6 | 31.5 Ų | 31.5 | 5% | 0.05 | 16% | 0.157 | C | C | . | . | trans | -73.6 | 83.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A2157 D2160 A2189 K2196 S2197 C2198 | A2157-A2194 VanDerWaalsContact O-CB 3.29Å; A2157-A2194 WeakPolarHBondContact O-CB 2.61Å; D2160-A2194 HydrophobicContact CB-CB 3.85Å; D2160-A2194 VanDerWaalsContact OD1-CA 3.3Å; D2160-A2194 WeakPolarHBondContact OD1-CA 3.44Å; D2160-A2194 WeakPolarHBondContact OD1-CB 3.4Å; A2189-A2194 HydrophobicContact CB-CB 4.08Å; A2189-A2194 PolarHBondContact O-N 3.4Å; A2194-K2196 VanDerWaalsContact C-N 3.34Å; A2194-K2196 PolarHBondContact O-N 3.03Å; A2194-S2197 WeakPolarHBondContact O-CB 3.18Å; A2194-S2197 PolarHBondContact O-N 3.45Å; A2194-C2198 PolarHBondContact O-N 2.85Å; A2194-C2198 PolarHBondContact O-SG 2.84Å; A2194-C2198 VanDerWaalsContact O-SG 3.33Å | ||
| 2195 | V | 92.5 | Very high | 92.9 | Very high | 38 Ų | 38 | 34.1 Ų | 34.1 | 23% | 0.23 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.5 | -35.6 | -174.2 | -178.6 | 0 | 0 | 0 | 0 | 112.7 | D2160 G2193 R2199 I2230 | D2160-V2195 PolarHBondContact OD1-N 2.03Å; G2193-V2195 PolarHBondContact O-N 3.05Å; V2195-R2199 VanDerWaalsContact O-CG 3.27Å; V2195-R2199 WeakPolarHBondContact O-CG 3.48Å; V2195-R2199 PolarHBondContact O-N 3.4Å; V2195-R2199 VanDerWaalsContact O-N 3.11Å; V2195-I2230 HydrophobicContact CG2-CD1 4.09Å; V2195-I2230 HydrophobicContact CG2-CG1 3.91Å |
| 2196 | K | 91.2 | Very high | 92.8 | Very high | 102 Ų | 102 | 34.4 Ų | 34.4 | 44% | 0.443 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -73.1 | -43.5 | 177.7 | -58.9 | -166.4 | -112 | 73 | 0 | 110.2 | D2160 A2194 C2198 R2199 L2200 | D2160-K2196 PolarHBondContact O-NZ 3.07Å; D2160-K2196 WeakPolarHBondContact OD1-CA 3.43Å; D2160-K2196 VanDerWaalsContact OD1-CB 3.31Å; D2160-K2196 WeakPolarHBondContact OD1-CB 3.35Å; D2160-K2196 PolarHBondContact OD1-N 3.18Å; D2160-K2196 WeakPolarHBondContact OD2-CB 3.18Å; D2160-K2196 WeakPolarHBondContact OD2-CE 3.4Å; D2160-K2196 WeakPolarHBondContact OD2-CG 3.15Å; D2160-K2196 IonicContact OD2-NZ 3.17Å; D2160-K2196 PolarHBondContact OD2-NZ 2.85Å; A2194-K2196 VanDerWaalsContact C-N 3.34Å; A2194-K2196 PolarHBondContact O-N 3.03Å; K2196-C2198 PolarHBondContact O-N 2.6Å; K2196-R2199 PolarHBondContact O-N 2.97Å; K2196-L2200 WeakPolarHBondContact O-CB 3.04Å; K2196-L2200 WeakPolarHBondContact O-CG 3.49Å; K2196-L2200 PolarHBondContact O-N 3.47Å |
| 2197 | S | 93.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -53.8 | -52.3 | 171.7 | -64.5 | 0 | 0 | 0 | 0 | 111.7 | A2157 D2160 I2165 A2194 R2199 L2200 L2201 | A2157-S2197 WeakPolarHBondContact CA-OG 3.41Å; A2157-S2197 VanDerWaalsContact O-CB 3.31Å; A2157-S2197 WeakPolarHBondContact O-CB 3.06Å; A2157-S2197 PolarHBondContact O-OG 3.22Å; D2160-S2197 WeakPolarHBondContact CA-OG 3.35Å; D2160-S2197 PolarHBondContact OD1-N 3.27Å; I2165-S2197 WeakPolarHBondContact CD1-OG 3.42Å; A2194-S2197 WeakPolarHBondContact O-CB 3.18Å; A2194-S2197 PolarHBondContact O-N 3.45Å; S2197-R2199 VanDerWaalsContact C-N 3.34Å; S2197-R2199 PolarHBondContact O-N 3.41Å; S2197-L2200 PolarHBondContact O-N 3.35Å; S2197-L2201 WeakPolarHBondContact O-CB 3.11Å; S2197-L2201 VanDerWaalsContact O-CG 3.26Å; S2197-L2201 WeakPolarHBondContact O-CG 3.21Å; S2197-L2201 PolarHBondContact O-N 3.4Å |
| 2198 | C | 94.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.4 | -46 | 178.3 | -70 | 0 | 0 | 0 | 0 | 111.8 | L2186 A2189 A2194 K2196 L2200 L2202 I2230 L2233 | L2186-C2198 HydrophobicContact CD1-CB 4.38Å; A2189-C2198 VanDerWaalsContact C-SG 3.57Å; A2189-C2198 VanDerWaalsContact CB-SG 3.58Å; A2194-C2198 PolarHBondContact O-N 2.85Å; A2194-C2198 PolarHBondContact O-SG 2.84Å; A2194-C2198 VanDerWaalsContact O-SG 3.33Å; K2196-C2198 PolarHBondContact O-N 2.6Å; C2198-L2200 PolarHBondContact O-N 3.08Å; C2198-L2202 VanDerWaalsContact O-CB 3.27Å; C2198-L2202 WeakPolarHBondContact O-CB 3.13Å; C2198-L2202 VanDerWaalsContact O-CD1 3.31Å; C2198-L2202 WeakPolarHBondContact O-CD1 3.47Å; C2198-L2202 WeakPolarHBondContact O-CG 3.17Å; C2198-L2202 PolarHBondContact O-N 3.02Å; C2198-I2230 HydrophobicContact CB-CG2 4.25Å; C2198-L2233 HydrophobicContact CB-CD2 3.87Å |
| 2199 | R | 93.4 | Very high | 92.1 | Very high | 100 Ų | 100 | 44 Ų | 44 | 38% | 0.377 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.7 | -43.5 | 177.9 | -72.2 | 174.2 | -172.2 | -80.9 | 0.5 | 112 | V2195 K2196 S2197 L2203 E2229 L2233 | V2195-R2199 VanDerWaalsContact O-CG 3.27Å; V2195-R2199 WeakPolarHBondContact O-CG 3.48Å; V2195-R2199 PolarHBondContact O-N 3.4Å; V2195-R2199 VanDerWaalsContact O-N 3.11Å; K2196-R2199 PolarHBondContact O-N 2.97Å; S2197-R2199 VanDerWaalsContact C-N 3.34Å; S2197-R2199 PolarHBondContact O-N 3.41Å; R2199-L2203 WeakPolarHBondContact O-CB 3.02Å; R2199-L2203 WeakPolarHBondContact O-CD1 3.43Å; R2199-L2203 VanDerWaalsContact O-CG 3.23Å; R2199-L2203 WeakPolarHBondContact O-CG 3.18Å; R2199-L2203 PolarHBondContact O-N 2.04Å; R2199-L2203 VanDerWaalsContact O-N 3.11Å; R2199-E2229 IonicContact CZ-OE1 2.72Å; R2199-E2229 IonicContact NH2-OE1 3.47Å; R2199-E2229 PolarHBondContact NH2-OE1 2.87Å; R2199-L2233 HydrophobicContact CB-CD2 4.45Å; R2199-L2233 HydrophobicContact CG-CD1 3.97Å; R2199-L2233 HydrophobicContact CG-CD2 3.51Å; R2199-L2233 HydrophobicContact CG-CG 4.41Å |
| 2200 | L | 91.2 | Very high | 91.8 | Very high | 39 Ų | 39 | 46 Ų | 46 | 20% | 0.204 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -73.3 | -43.5 | -178 | -74.1 | 166.7 | 0 | 0 | 0 | 112.7 | S2162 I2165 K2196 S2197 C2198 L2202 L2203 S2204 | S2162-L2200 VanDerWaalsContact CA-CD1 3.43Å; S2162-L2200 VanDerWaalsContact CB-CD1 3.49Å; S2162-L2200 WeakPolarHBondContact O-CD1 3.26Å; I2165-L2200 HydrophobicContact CG2-CB 3.9Å; I2165-L2200 HydrophobicContact CG2-CD1 4.48Å; K2196-L2200 WeakPolarHBondContact O-CB 3.04Å; K2196-L2200 WeakPolarHBondContact O-CG 3.49Å; K2196-L2200 PolarHBondContact O-N 3.47Å; S2197-L2200 PolarHBondContact O-N 3.35Å; C2198-L2200 PolarHBondContact O-N 3.08Å; L2200-L2202 VanDerWaalsContact C-N 3.33Å; L2200-L2202 PolarHBondContact O-N 3.31Å; L2200-L2203 CarbonylContact O-C 3.49Å; L2200-L2203 WeakPolarHBondContact O-CB 3.44Å; L2200-L2203 PolarHBondContact O-N 2.8Å; L2200-L2203 VanDerWaalsContact O-N 3.13Å; L2200-S2204 PolarHBondContact O-N 2.47Å; L2200-S2204 PolarHBondContact O-OG 3.36Å |
| 2201 | L | 94.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 176.9 | -68.7 | 167.7 | 0 | 0 | 0 | 111.3 | L2153 A2157 I2165 V2175 P2185 L2186 A2189 S2197 S2204 G2205 A2206 | L2153-L2201 HydrophobicContact CD1-CD2 4.11Å; L2153-L2201 HydrophobicContact CD2-CD2 4.11Å; L2153-L2201 HydrophobicContact CG-CD2 4.17Å; A2157-L2201 HydrophobicContact CB-CD1 3.87Å; I2165-L2201 HydrophobicContact CG2-CD2 4.25Å; I2165-L2201 HydrophobicContact CG2-CG 4.43Å; V2175-L2201 HydrophobicContact CG1-CD2 4.21Å; P2185-L2201 HydrophobicContact CB-CD1 3.98Å; P2185-L2201 HydrophobicContact CB-CD2 4.14Å; L2186-L2201 HydrophobicContact CB-CD1 4.46Å; L2186-L2201 HydrophobicContact CD1-CB 4.34Å; A2189-L2201 HydrophobicContact CB-CD1 4.22Å; S2197-L2201 WeakPolarHBondContact O-CB 3.11Å; S2197-L2201 VanDerWaalsContact O-CG 3.26Å; S2197-L2201 WeakPolarHBondContact O-CG 3.21Å; S2197-L2201 PolarHBondContact O-N 3.4Å; L2201-S2204 CarbonylContact O-C 3.31Å; L2201-S2204 PolarHBondContact O-N 2.52Å; L2201-G2205 PolarHBondContact O-N 3.42Å; L2201-A2206 HydrophobicContact CB-CB 4.03Å; L2201-A2206 WeakPolarHBondContact O-CB 3.08Å; L2201-A2206 PolarHBondContact O-N 3.5Å |
| 2202 | L | 93.1 | Very high | 91.2 | Very high | 11 Ų | 11 | 43.5 Ų | 43.5 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.6 | -34.6 | 173.7 | -69 | 169.9 | 0 | 0 | 0 | 112.8 | L2186 C2198 L2200 G2205 L2208 L2233 L2234 Y2237 | L2186-L2202 HydrophobicContact CD1-CD2 4.23Å; L2186-L2202 HydrophobicContact CD1-CG 4.08Å; L2186-L2202 HydrophobicContact CD2-CD2 3.8Å; C2198-L2202 VanDerWaalsContact O-CB 3.27Å; C2198-L2202 WeakPolarHBondContact O-CB 3.13Å; C2198-L2202 VanDerWaalsContact O-CD1 3.31Å; C2198-L2202 WeakPolarHBondContact O-CD1 3.47Å; C2198-L2202 WeakPolarHBondContact O-CG 3.17Å; C2198-L2202 PolarHBondContact O-N 3.02Å; L2200-L2202 VanDerWaalsContact C-N 3.33Å; L2200-L2202 PolarHBondContact O-N 3.31Å; L2202-G2205 PolarHBondContact O-N 3.21Å; L2202-L2208 HydrophobicContact CD2-CD1 4.23Å; L2202-L2208 HydrophobicContact CD2-CD2 3.54Å; L2202-L2208 HydrophobicContact CD2-CG 3.78Å; L2202-L2233 HydrophobicContact CD1-CD2 3.97Å; L2202-L2233 HydrophobicContact CD1-CG 3.9Å; L2202-L2234 HydrophobicContact CD1-CD2 4.02Å; L2202-L2234 HydrophobicContact CD2-CD2 4.28Å; L2202-Y2237 HydrophobicContact CB-CD1 3.78Å; L2202-Y2237 HydrophobicContact CB-CE1 3.74Å; L2202-Y2237 HydrophobicContact CB-CG 4.2Å; L2202-Y2237 HydrophobicContact CD1-CD1 4.47Å; L2202-Y2237 HydrophobicContact CD1-CD2 4.04Å; L2202-Y2237 HydrophobicContact CD1-CE2 4.45Å; L2202-Y2237 HydrophobicContact CD1-CG 4.04Å; L2202-Y2237 HydrophobicContact CD2-CD1 4.5Å; L2202-Y2237 HydrophobicContact CG-CD1 4.48Å; L2202-Y2237 HydrophobicContact CG-CG 4.49Å |
| 2203 | L | 90.1 | Very high | 91 | Very high | 121 Ų | 121 | 45.4 Ų | 45.4 | 63% | 0.634 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -70.3 | -34.1 | 172.3 | -74.6 | 167 | 0 | 0 | 0 | 112.3 | R2199 L2200 G2205 Y2237 | R2199-L2203 WeakPolarHBondContact O-CB 3.02Å; R2199-L2203 WeakPolarHBondContact O-CD1 3.43Å; R2199-L2203 VanDerWaalsContact O-CG 3.23Å; R2199-L2203 WeakPolarHBondContact O-CG 3.18Å; R2199-L2203 PolarHBondContact O-N 2.04Å; R2199-L2203 VanDerWaalsContact O-N 3.11Å; L2200-L2203 CarbonylContact O-C 3.49Å; L2200-L2203 WeakPolarHBondContact O-CB 3.44Å; L2200-L2203 PolarHBondContact O-N 2.8Å; L2200-L2203 VanDerWaalsContact O-N 3.13Å; L2203-G2205 PolarHBondContact O-N 3.37Å; L2203-Y2237 WeakPolarHBondContact CD2-OH 3.1Å |
| 2204 | S | 89.7 | Confident | 90.9 | Very high | 52 Ų | 52 | 48.7 Ų | 48.7 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -3.9 | 171.5 | -63 | 0 | 0 | 0 | 0 | 113.7 | C2169 L2200 L2201 | C2169-S2204 PolarHBondContact SG-OG 3.22Å; C2169-S2204 VanDerWaalsContact SG-OG 3.39Å; L2200-S2204 PolarHBondContact O-N 2.47Å; L2200-S2204 PolarHBondContact O-OG 3.36Å; L2201-S2204 CarbonylContact O-C 3.31Å; L2201-S2204 PolarHBondContact O-N 2.52Å |
| 2205 | G | 89.2 | Confident | 90.6 | Very high | 55 Ų | 55 | 55.6 Ų | 55.6 | 57% | 0.567 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.8 | 16.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | L2201 L2202 L2203 | L2201-G2205 PolarHBondContact O-N 3.42Å; L2202-G2205 PolarHBondContact O-N 3.21Å; L2203-G2205 PolarHBondContact O-N 3.37Å |
| 2206 | A | 92.9 | Very high | 90.5 | Very high | 6 Ų | 6 | 57.1 Ų | 57.1 | 5% | 0.05 | 30% | 0.299 | C | S | . | . | trans | -53.3 | 136.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | V2175 D2176 L2186 L2201 L2208 | V2175-A2206 HydrophobicContact CG1-CB 3.63Å; D2176-A2206 WeakPolarHBondContact OD1-CA 3.41Å; L2186-A2206 HydrophobicContact CB-CB 4.03Å; L2186-A2206 HydrophobicContact CD2-CB 3.86Å; L2186-A2206 HydrophobicContact CG-CB 4.4Å; L2201-A2206 HydrophobicContact CB-CB 4.03Å; L2201-A2206 WeakPolarHBondContact O-CB 3.08Å; L2201-A2206 PolarHBondContact O-N 3.5Å; A2206-L2208 PolarHBondContact O-N 3.04Å | ||
| 2207 | N | 89.9 | Confident | 90.6 | Very high | 58 Ų | 58 | 54.1 Ų | 54.1 | 31% | 0.31 | 29% | 0.289 | S | S | . | . | trans | -81.7 | 100.2 | -174.3 | -175.2 | -0.2 | 0 | 0 | 0 | 112.5 | D2176 N2209 L2210 | D2176-N2207 PolarHBondContact OD1-N 2.93Å; D2176-N2207 VanDerWaalsContact OD2-CB 3.27Å; D2176-N2207 WeakPolarHBondContact OD2-CB 3.15Å; N2207-N2209 PolarHBondContact O-N 2.73Å; N2207-N2209 PolarHBondContact OD1-N 3.17Å; N2207-N2209 PolarHBondContact OD1-ND2 2.98Å; N2207-L2210 HydrophobicContact CB-CD1 3.98Å; N2207-L2210 HydrophobicContact CB-CG 4Å; N2207-L2210 PolarHBondContact O-N 3.35Å | ||
| 2208 | L | 91 | Very high | 90.6 | Very high | 23 Ų | 23 | 54.1 Ų | 54.1 | 12% | 0.12 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | -14.2 | 172.5 | -70.3 | 152.5 | 0 | 0 | 0 | 116.6 | L2186 L2202 A2206 L2234 T2238 | L2186-L2208 HydrophobicContact CD2-CD2 4.44Å; L2202-L2208 HydrophobicContact CD2-CD1 4.23Å; L2202-L2208 HydrophobicContact CD2-CD2 3.54Å; L2202-L2208 HydrophobicContact CD2-CG 3.78Å; A2206-L2208 PolarHBondContact O-N 3.04Å; L2208-L2234 HydrophobicContact CD2-CB 4.15Å; L2208-L2234 HydrophobicContact CD2-CD2 3.38Å; L2208-L2234 HydrophobicContact CD2-CG 4.35Å; L2208-T2238 HydrophobicContact CB-CG2 4.13Å; L2208-T2238 HydrophobicContact CD1-CG2 3.8Å; L2208-T2238 HydrophobicContact CD2-CG2 4.12Å; L2208-T2238 HydrophobicContact CG-CG2 4.24Å |
| 2209 | N | 87.3 | Confident | 90.6 | Very high | 122 Ų | 122 | 57.9 Ų | 57.9 | 65% | 0.652 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.1 | -1.6 | -172.6 | -44.3 | -89.3 | 0 | 0 | 0 | 113.9 | N2207 A2211 | N2207-N2209 PolarHBondContact O-N 2.73Å; N2207-N2209 PolarHBondContact OD1-N 3.17Å; N2207-N2209 PolarHBondContact OD1-ND2 2.98Å; N2209-A2211 PolarHBondContact O-N 2.84Å |
| 2210 | L | 88.8 | Confident | 90.5 | Very high | 43 Ų | 43 | 56.2 Ų | 56.2 | 23% | 0.225 | 30% | 0.302 | C | S | . | . | trans | -74.1 | 111 | 171.9 | -69.5 | 175.3 | 0 | 0 | 0 | 108.7 | D2176 T2184 N2207 P2218 | D2176-L2210 HydrophobicContact CB-CD1 3.8Å; T2184-L2210 HydrophobicContact CG2-CB 3.85Å; T2184-L2210 HydrophobicContact CG2-CD1 3.75Å; T2184-L2210 HydrophobicContact CG2-CG 4.45Å; N2207-L2210 HydrophobicContact CB-CD1 3.98Å; N2207-L2210 HydrophobicContact CB-CG 4Å; N2207-L2210 PolarHBondContact O-N 3.35Å; L2210-P2218 WeakPolarHBondContact O-CD 3.02Å | ||
| 2211 | A | 86.6 | Confident | 90.6 | Very high | 25 Ų | 25 | 54.6 Ų | 54.6 | 21% | 0.207 | 29% | 0.293 | C | S | . | . | trans | -82.1 | 161.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | N2209 R2216 | N2209-A2211 PolarHBondContact O-N 2.84Å; A2211-R2216 VanDerWaalsContact CA-O 3.25Å; A2211-R2216 WeakPolarHBondContact CA-O 3.41Å | ||
| 2212 | D | 88.4 | Confident | 90.5 | Very high | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | trans | -81.1 | 179.2 | 166 | 67.9 | 11.9 | 0 | 0 | 0 | 112.4 | E2183 L2214 D2215 R2216 | E2183-D2212 HydrophobicContact CG-CB 3.94Å; D2212-L2214 PolarHBondContact O-N 2.86Å; D2212-L2214 WeakPolarHBondContact OD1-CA 3.23Å; D2212-L2214 WeakPolarHBondContact OD1-CB 3.28Å; D2212-L2214 PolarHBondContact OD1-N 2.76Å; D2212-D2215 PolarHBondContact O-N 2.77Å; D2212-R2216 PolarHBondContact N-O 3.26Å; D2212-R2216 VanDerWaalsContact OD1-CB 3.31Å; D2212-R2216 WeakPolarHBondContact OD1-CB 3.29Å; D2212-R2216 PolarHBondContact OD1-N 2.96Å; D2212-R2216 IonicContact OD1-NE 3.01Å; D2212-R2216 IonicContact OD2-CZ 2.76Å; D2212-R2216 IonicContact OD2-NE 3.86Å; D2212-R2216 PolarHBondContact OD2-NE 3.23Å; D2212-R2216 IonicContact OD2-NH2 3.72Å; D2212-R2216 PolarHBondContact OD2-NH2 2.72Å | ||
| 2213 | Y | 88.6 | Confident | 90.5 | Very high | 130 Ų | 130 | 60.5 Ų | 60.5 | 51% | 0.51 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -3.8 | 177.2 | 79.1 | -67.2 | 0 | 0 | 0 | 115.9 | H2181 | H2181-Y2213 HydrophobicContact CB-CD1 3.74Å; H2181-Y2213 HydrophobicContact CB-CE1 4.04Å; H2181-Y2213 HydrophobicContact CB-CG 4.4Å; H2181-Y2213 WeakPolarHBondContact O-CB 3.03Å; H2181-Y2213 VanDerWaalsContact O-CD1 3.24Å; H2181-Y2213 WeakPolarHBondContact O-CD1 3.06Å; H2181-Y2213 PolarHBondContact O-N 3.42Å |
| 2214 | L | 88.8 | Confident | 90.5 | Very high | 89 Ų | 89 | 60.5 Ų | 60.5 | 47% | 0.466 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | 18.8 | 177.1 | -62.6 | 176.9 | 0 | 0 | 0 | 112.5 | D2212 R2216 | D2212-L2214 PolarHBondContact O-N 2.86Å; D2212-L2214 WeakPolarHBondContact OD1-CA 3.23Å; D2212-L2214 WeakPolarHBondContact OD1-CB 3.28Å; D2212-L2214 PolarHBondContact OD1-N 2.76Å; L2214-R2216 HydrophobicContact CB-CG 3.99Å; L2214-R2216 PolarHBondContact O-N 3.27Å |
| 2215 | D | 88.3 | Confident | 90.4 | Very high | 150 Ų | 150 | 60.2 Ų | 60.2 | 80% | 0.802 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 58.2 | 22.2 | -174.8 | -76.5 | -50.3 | 0 | 0 | 0 | 113.5 | D2212 | D2212-D2215 PolarHBondContact O-N 2.77Š|
| 2216 | R | 90.2 | Very high | 90.4 | Very high | 71 Ų | 71 | 59 Ų | 59 | 27% | 0.268 | 31% | 0.308 | S | S | . | . | trans | -91.2 | 122.2 | 179.9 | -50.8 | 179 | -62.8 | -174.8 | 4.4 | 110.2 | A2211 D2212 L2214 D2220 L2221 | A2211-R2216 VanDerWaalsContact CA-O 3.25Å; A2211-R2216 WeakPolarHBondContact CA-O 3.41Å; D2212-R2216 PolarHBondContact N-O 3.26Å; D2212-R2216 VanDerWaalsContact OD1-CB 3.31Å; D2212-R2216 WeakPolarHBondContact OD1-CB 3.29Å; D2212-R2216 PolarHBondContact OD1-N 2.96Å; D2212-R2216 IonicContact OD1-NE 3.01Å; D2212-R2216 IonicContact OD2-CZ 2.76Å; D2212-R2216 IonicContact OD2-NE 3.86Å; D2212-R2216 PolarHBondContact OD2-NE 3.23Å; D2212-R2216 IonicContact OD2-NH2 3.72Å; D2212-R2216 PolarHBondContact OD2-NH2 2.72Å; L2214-R2216 HydrophobicContact CB-CG 3.99Å; L2214-R2216 PolarHBondContact O-N 3.27Å; R2216-D2220 HydrophobicContact CB-CB 4.37Å; R2216-L2221 HydrophobicContact CB-CD2 4.15Å; R2216-L2221 HydrophobicContact CB-CG 4.34Å | ||
| 2217 | T | 92.6 | Very high | 90.5 | Very high | 38 Ų | 38 | 61.4 Ų | 61.4 | 23% | 0.233 | 32% | 0.318 | C | S | . | . | trans | -74.3 | 162.6 | 173.5 | 71 | 0 | 0 | 0 | 0 | 111 | R2219 D2220 L2221 | T2217-R2219 PolarHBondContact O-N 3.42Å; T2217-R2219 PolarHBondContact OG1-N 3.1Å; T2217-D2220 WeakPolarHBondContact CB-OD2 2.99Å; T2217-D2220 PolarHBondContact N-OD2 2.9Å; T2217-D2220 VanDerWaalsContact N-OD2 3.11Å; T2217-D2220 WeakPolarHBondContact O-CA 3.31Å; T2217-D2220 WeakPolarHBondContact O-CB 3.41Å; T2217-D2220 PolarHBondContact O-N 3.33Å; T2217-D2220 PolarHBondContact OG1-N 2.88Å; T2217-D2220 PolarHBondContact OG1-OD2 3.08Å; T2217-L2221 PolarHBondContact O-N 2.83Å | ||
| 2218 | P | 93.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56.1 | -28.8 | 174.2 | -24.9 | 35.6 | 0 | 0 | 0 | 112.4 | L2186 A2187 C2190 L2210 L2221 A2222 | L2186-P2218 HydrophobicContact CD2-CB 4.33Å; L2186-P2218 HydrophobicContact CD2-CG 4.28Å; L2186-P2218 HydrophobicContact CG-CB 4.13Å; L2186-P2218 HydrophobicContact CG-CG 4.34Å; A2187-P2218 HydrophobicContact CB-CG 4.28Å; C2190-P2218 HydrophobicContact CB-CB 4.11Å; C2190-P2218 VanDerWaalsContact CB-O 3.24Å; C2190-P2218 WeakPolarHBondContact CB-O 3.01Å; L2210-P2218 WeakPolarHBondContact O-CD 3.02Å; P2218-L2221 PolarHBondContact O-N 2.9Å; P2218-A2222 WeakPolarHBondContact O-CB 2.97Å; P2218-A2222 PolarHBondContact O-N 2.79Å |
| 2219 | R | 94 | Very high | 90.5 | Very high | 80 Ų | 80 | 69.4 Ų | 69.4 | 30% | 0.302 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.4 | -36.6 | 174.2 | -166.7 | -164.1 | 177.3 | -65 | -14.6 | 113 | T2217 Y2223 L2234 D2235 | T2217-R2219 PolarHBondContact O-N 3.42Å; T2217-R2219 PolarHBondContact OG1-N 3.1Å; R2219-Y2223 WeakPolarHBondContact O-CB 3.23Å; R2219-Y2223 PolarHBondContact O-N 2.79Å; R2219-Y2223 VanDerWaalsContact O-N 3.08Å; R2219-L2234 HydrophobicContact CB-CD1 4.04Å; R2219-L2234 HydrophobicContact CG-CB 4.38Å; R2219-L2234 HydrophobicContact CG-CD1 4.35Å; R2219-D2235 IonicContact CZ-OD1 2.85Å; R2219-D2235 VanDerWaalsContact CZ-OD1 3.28Å; R2219-D2235 IonicContact CZ-OD2 3.97Å; R2219-D2235 IonicContact NE-OD1 2.66Å; R2219-D2235 PolarHBondContact NE-OD1 2.75Å; R2219-D2235 IonicContact NE-OD2 4Å; R2219-D2235 VanDerWaalsContact NH2-CG 3.29Å; R2219-D2235 IonicContact NH2-OD1 2.7Å; R2219-D2235 PolarHBondContact NH2-OD1 3.4Å; R2219-D2235 IonicContact NH2-OD2 2.78Å; R2219-D2235 PolarHBondContact NH2-OD2 3.5Å |
| 2220 | D | 92.6 | Very high | 90.8 | Very high | 65 Ų | 65 | 63.7 Ų | 63.7 | 35% | 0.348 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -73.1 | -37.7 | 175.2 | -58.7 | -58.3 | 0 | 0 | 0 | 110.8 | R2216 T2217 Y2223 L2224 | R2216-D2220 HydrophobicContact CB-CB 4.37Å; T2217-D2220 WeakPolarHBondContact CB-OD2 2.99Å; T2217-D2220 PolarHBondContact N-OD2 2.9Å; T2217-D2220 VanDerWaalsContact N-OD2 3.11Å; T2217-D2220 WeakPolarHBondContact O-CA 3.31Å; T2217-D2220 WeakPolarHBondContact O-CB 3.41Å; T2217-D2220 PolarHBondContact O-N 3.33Å; T2217-D2220 PolarHBondContact OG1-N 2.88Å; T2217-D2220 PolarHBondContact OG1-OD2 3.08Å; D2220-Y2223 PolarHBondContact O-N 2.04Å; D2220-L2224 WeakPolarHBondContact O-CB 3.43Å; D2220-L2224 VanDerWaalsContact O-CG 3.24Å; D2220-L2224 WeakPolarHBondContact O-CG 3.32Å; D2220-L2224 PolarHBondContact O-N 3.12Å |
| 2221 | L | 92.5 | Very high | 91 | Very high | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.9 | -49.7 | 172.1 | -64.8 | 175.1 | 0 | 0 | 0 | 111.8 | A2187 R2191 R2216 T2217 P2218 Y2223 L2224 G2225 | A2187-L2221 HydrophobicContact CB-CD1 3.71Å; R2191-L2221 HydrophobicContact CB-CB 4.49Å; R2216-L2221 HydrophobicContact CB-CD2 4.15Å; R2216-L2221 HydrophobicContact CB-CG 4.34Å; T2217-L2221 PolarHBondContact O-N 2.83Å; P2218-L2221 PolarHBondContact O-N 2.9Å; L2221-Y2223 VanDerWaalsContact C-N 3.26Å; L2221-Y2223 PolarHBondContact O-N 3.32Å; L2221-L2224 PolarHBondContact O-N 2.8Å; L2221-L2224 VanDerWaalsContact O-N 3.15Å; L2221-G2225 PolarHBondContact O-N 3.14Å |
| 2222 | A | 93.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.9 | -34.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | C2190 P2218 G2226 H2227 I2230 V2231 L2234 | C2190-A2222 HydrophobicContact CB-CB 4.09Å; C2190-A2222 VanDerWaalsContact O-CA 3.25Å; C2190-A2222 WeakPolarHBondContact O-CA 3.39Å; P2218-A2222 WeakPolarHBondContact O-CB 2.97Å; P2218-A2222 PolarHBondContact O-N 2.79Å; A2222-G2226 PolarHBondContact O-N 2.82Å; A2222-H2227 HydrophobicContact CB-CB 4.46Å; A2222-H2227 PolarHBondContact O-N 2.8Å; A2222-I2230 HydrophobicContact CB-CB 4.15Å; A2222-I2230 HydrophobicContact CB-CG2 3.87Å; A2222-V2231 HydrophobicContact CB-CG2 3.71Å; A2222-L2234 HydrophobicContact CB-CD1 4.02Å |
| 2223 | Y | 92.2 | Very high | 91.3 | Very high | 134 Ų | 134 | 65.5 Ų | 65.5 | 53% | 0.525 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -73 | -37.1 | 175.7 | -175.9 | -90.1 | 0 | 0 | 0 | 112.6 | R2219 D2220 L2221 G2226 Y2228 | R2219-Y2223 WeakPolarHBondContact O-CB 3.23Å; R2219-Y2223 PolarHBondContact O-N 2.79Å; R2219-Y2223 VanDerWaalsContact O-N 3.08Å; D2220-Y2223 PolarHBondContact O-N 2.04Å; L2221-Y2223 VanDerWaalsContact C-N 3.26Å; L2221-Y2223 PolarHBondContact O-N 3.32Å; Y2223-G2226 PolarHBondContact O-N 2.78Å; Y2223-Y2228 HydrophobicContact CE2-CE1 4.33Å |
| 2224 | L | 90.1 | Very high | 91.4 | Very high | 121 Ų | 121 | 59.3 Ų | 59.3 | 63% | 0.634 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -68.6 | -41.1 | 176.3 | -74.6 | 167.4 | 0 | 0 | 0 | 112.1 | D2220 L2221 G2226 | D2220-L2224 WeakPolarHBondContact O-CB 3.43Å; D2220-L2224 VanDerWaalsContact O-CG 3.24Å; D2220-L2224 WeakPolarHBondContact O-CG 3.32Å; D2220-L2224 PolarHBondContact O-N 3.12Å; L2221-L2224 PolarHBondContact O-N 2.8Å; L2221-L2224 VanDerWaalsContact O-N 3.15Å; L2224-G2226 PolarHBondContact O-N 3.47Å |
| 2225 | G | 86.6 | Confident | 91.4 | Very high | 46 Ų | 46 | 58 Ų | 58 | 47% | 0.474 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -12.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L2221 H2227 | L2221-G2225 PolarHBondContact O-N 3.14Å; G2225-H2227 VanDerWaalsContact C-N 3.33Å |
| 2226 | G | 89.8 | Confident | 91.3 | Very high | 30 Ų | 30 | 56.5 Ų | 56.5 | 31% | 0.309 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 16.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A2222 Y2223 L2224 Y2228 | A2222-G2226 PolarHBondContact O-N 2.82Å; Y2223-G2226 PolarHBondContact O-N 2.78Å; L2224-G2226 PolarHBondContact O-N 3.47Å; G2226-Y2228 WeakPolarHBondContact O-CD2 3.37Å; G2226-Y2228 VanDerWaalsContact O-CE2 3.32Å; G2226-Y2228 WeakPolarHBondContact O-CE2 3.32Å; G2226-Y2228 PolarHBondContact O-N 2.77Å |
| 2227 | H | 94.6 | Very high | 90.8 | Very high | 56 Ų | 56 | 56.2 Ų | 56.2 | 26% | 0.259 | 28% | 0.281 | S | S | . | . | trans | -79.3 | 63.1 | -177.6 | -60.5 | -53.7 | 0 | 0 | 0 | 111.6 | C2190 R2191 E2192 G2193 A2222 G2225 E2229 I2230 V2231 | C2190-H2227 PolarHBondContact O-CD2 2.97Å; R2191-H2227 PolarHBondContact O-CD2 3.23Å; R2191-H2227 PolarHBondContact O-NE2 2.77Å; E2192-H2227 PolarHBondContact O-NE2 2.99Å; G2193-H2227 VanDerWaalsContact CA-CE1 3.47Å; G2193-H2227 WeakPolarHBondContact CA-CE1 3.22Å; G2193-H2227 WeakPolarHBondContact CA-NE2 3.39Å; G2193-H2227 PolarHBondContact N-NE2 3.21Å; A2222-H2227 HydrophobicContact CB-CB 4.46Å; A2222-H2227 PolarHBondContact O-N 2.8Å; G2225-H2227 VanDerWaalsContact C-N 3.33Å; H2227-E2229 PolarHBondContact O-N 3.32Å; H2227-E2229 VanDerWaalsContact O-N 3.1Å; H2227-I2230 HydrophobicContact CB-CB 4.18Å; H2227-I2230 HydrophobicContact CB-CD1 4.08Å; H2227-I2230 HydrophobicContact CB-CG1 4.27Å; H2227-I2230 WeakPolarHBondContact O-CA 3.22Å; H2227-I2230 WeakPolarHBondContact O-CB 3.35Å; H2227-I2230 PolarHBondContact O-N 2.91Å; H2227-V2231 PolarHBondContact O-N 2.82Å | ||
| 2228 | Y | 89.9 | Confident | 90 | Very high | 143 Ų | 143 | 56.6 Ų | 56.6 | 56% | 0.561 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -58.8 | -26 | -172 | -61.4 | -78.1 | 0 | 0 | 0 | 114.6 | Y2223 G2226 N2232 | Y2223-Y2228 HydrophobicContact CE2-CE1 4.33Å; G2226-Y2228 WeakPolarHBondContact O-CD2 3.37Å; G2226-Y2228 VanDerWaalsContact O-CE2 3.32Å; G2226-Y2228 WeakPolarHBondContact O-CE2 3.32Å; G2226-Y2228 PolarHBondContact O-N 2.77Å; Y2228-N2232 PolarHBondContact O-N 2.7Å; Y2228-N2232 PolarHBondContact O-ND2 2.81Å; Y2228-N2232 VanDerWaalsContact O-ND2 3.1Å |
| 2229 | E | 91.8 | Very high | 88 | Confident | 107 Ų | 107 | 59.9 Ų | 59.9 | 50% | 0.5 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.9 | -42.5 | 171.1 | -176.1 | 174.2 | 159.3 | 0 | 0 | 111.4 | R2199 H2227 N2232 L2233 | R2199-E2229 IonicContact CZ-OE1 2.72Å; R2199-E2229 IonicContact NH2-OE1 3.47Å; R2199-E2229 PolarHBondContact NH2-OE1 2.87Å; H2227-E2229 PolarHBondContact O-N 3.32Å; H2227-E2229 VanDerWaalsContact O-N 3.1Å; E2229-N2232 PolarHBondContact O-N 2.03Å; E2229-L2233 WeakPolarHBondContact O-CB 3.19Å; E2229-L2233 PolarHBondContact O-N 3.34Å |
| 2230 | I | 93.4 | Very high | 86 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.4 | -40.4 | 176.9 | -58.7 | 179.1 | 0 | 0 | 0 | 110 | C2190 G2193 V2195 C2198 A2222 H2227 N2232 L2233 L2234 | C2190-I2230 HydrophobicContact CB-CG2 4.35Å; G2193-I2230 VanDerWaalsContact C-CD1 3.49Å; V2195-I2230 HydrophobicContact CG2-CD1 4.09Å; V2195-I2230 HydrophobicContact CG2-CG1 3.91Å; C2198-I2230 HydrophobicContact CB-CG2 4.25Å; A2222-I2230 HydrophobicContact CB-CB 4.15Å; A2222-I2230 HydrophobicContact CB-CG2 3.87Å; H2227-I2230 HydrophobicContact CB-CB 4.18Å; H2227-I2230 HydrophobicContact CB-CD1 4.08Å; H2227-I2230 HydrophobicContact CB-CG1 4.27Å; H2227-I2230 WeakPolarHBondContact O-CA 3.22Å; H2227-I2230 WeakPolarHBondContact O-CB 3.35Å; H2227-I2230 PolarHBondContact O-N 2.91Å; I2230-N2232 VanDerWaalsContact C-N 3.29Å; I2230-N2232 PolarHBondContact O-N 2.02Å; I2230-L2233 WeakPolarHBondContact O-CB 3.25Å; I2230-L2233 PolarHBondContact O-N 2.97Å; I2230-L2233 VanDerWaalsContact O-N 3.11Å; I2230-L2234 HydrophobicContact CG2-CD1 3.84Å; I2230-L2234 HydrophobicContact CG2-CG 4.08Å; I2230-L2234 WeakPolarHBondContact O-CB 3.33Å; I2230-L2234 WeakPolarHBondContact O-CG 3.23Å; I2230-L2234 PolarHBondContact O-N 2.86Å |
| 2231 | V | 93 | Very high | 83.5 | Confident | 8 Ų | 8 | 61.8 Ų | 61.8 | 5% | 0.048 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.8 | -43.7 | 172.9 | -178.9 | 0 | 0 | 0 | 0 | 111.2 | A2222 H2227 L2234 D2235 | A2222-V2231 HydrophobicContact CB-CG2 3.71Å; H2227-V2231 PolarHBondContact O-N 2.82Å; V2231-L2234 PolarHBondContact O-N 2.88Å; V2231-D2235 WeakPolarHBondContact O-CB 3.49Å; V2231-D2235 PolarHBondContact O-N 2.63Å |
| 2232 | N | 89.6 | Confident | 80.5 | Confident | 96 Ų | 96 | 68.3 Ų | 68.3 | 51% | 0.513 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 175.1 | -67.3 | -31.1 | 0 | 0 | 0 | 112.2 | Y2228 E2229 I2230 D2235 E2236 | Y2228-N2232 PolarHBondContact O-N 2.7Å; Y2228-N2232 PolarHBondContact O-ND2 2.81Å; Y2228-N2232 VanDerWaalsContact O-ND2 3.1Å; E2229-N2232 PolarHBondContact O-N 2.03Å; I2230-N2232 VanDerWaalsContact C-N 3.29Å; I2230-N2232 PolarHBondContact O-N 2.02Å; N2232-D2235 PolarHBondContact O-N 3.27Å; N2232-E2236 WeakPolarHBondContact O-CG 3.36Å; N2232-E2236 PolarHBondContact O-N 3.08Å |
| 2233 | L | 91.3 | Very high | 77.3 | Confident | 4 Ų | 4 | 73 Ų | 73 | 2% | 0.021 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 176.6 | 179.4 | 69.8 | 0 | 0 | 0 | 111.8 | C2198 R2199 L2202 E2229 I2230 E2236 Y2237 | C2198-L2233 HydrophobicContact CB-CD2 3.87Å; R2199-L2233 HydrophobicContact CB-CD2 4.45Å; R2199-L2233 HydrophobicContact CG-CD1 3.97Å; R2199-L2233 HydrophobicContact CG-CD2 3.51Å; R2199-L2233 HydrophobicContact CG-CG 4.41Å; L2202-L2233 HydrophobicContact CD1-CD2 3.97Å; L2202-L2233 HydrophobicContact CD1-CG 3.9Å; E2229-L2233 WeakPolarHBondContact O-CB 3.19Å; E2229-L2233 PolarHBondContact O-N 3.34Å; I2230-L2233 WeakPolarHBondContact O-CB 3.25Å; I2230-L2233 PolarHBondContact O-N 2.97Å; I2230-L2233 VanDerWaalsContact O-N 3.11Å; L2233-E2236 PolarHBondContact O-N 3.24Å; L2233-Y2237 HydrophobicContact CD1-CD2 3.97Å; L2233-Y2237 HydrophobicContact CD1-CE2 3.75Å; L2233-Y2237 HydrophobicContact CG-CD2 4.38Å; L2233-Y2237 WeakPolarHBondContact O-CD2 3.33Å; L2233-Y2237 PolarHBondContact O-N 3.12Å |
| 2234 | L | 91.9 | Very high | 74.1 | Confident | 1 Ų | 1 | 75.2 Ų | 75.2 | 1% | 0.005 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -67.6 | -37.3 | 176.3 | -61.1 | 166.8 | 0 | 0 | 0 | 111 | L2186 L2202 L2208 R2219 A2222 I2230 V2231 Y2237 T2238 | L2186-L2234 HydrophobicContact CD1-CD2 4.43Å; L2186-L2234 HydrophobicContact CD2-CD2 4.44Å; L2202-L2234 HydrophobicContact CD1-CD2 4.02Å; L2202-L2234 HydrophobicContact CD2-CD2 4.28Å; L2208-L2234 HydrophobicContact CD2-CB 4.15Å; L2208-L2234 HydrophobicContact CD2-CD2 3.38Å; L2208-L2234 HydrophobicContact CD2-CG 4.35Å; R2219-L2234 HydrophobicContact CB-CD1 4.04Å; R2219-L2234 HydrophobicContact CG-CB 4.38Å; R2219-L2234 HydrophobicContact CG-CD1 4.35Å; A2222-L2234 HydrophobicContact CB-CD1 4.02Å; I2230-L2234 HydrophobicContact CG2-CD1 3.84Å; I2230-L2234 HydrophobicContact CG2-CG 4.08Å; I2230-L2234 WeakPolarHBondContact O-CB 3.33Å; I2230-L2234 WeakPolarHBondContact O-CG 3.23Å; I2230-L2234 PolarHBondContact O-N 2.86Å; V2231-L2234 PolarHBondContact O-N 2.88Å; L2234-Y2237 PolarHBondContact O-N 3.2Å; L2234-T2238 WeakPolarHBondContact O-CB 3.39Å; L2234-T2238 WeakPolarHBondContact O-CG2 3.14Å; L2234-T2238 PolarHBondContact O-N 2.66Å; L2234-T2238 PolarHBondContact O-OG1 3.01Å |
| 2235 | D | 88.4 | Confident | 71 | Confident | 61 Ų | 61 | 80.4 Ų | 80.4 | 33% | 0.326 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.2 | -36.3 | 171.9 | -79.8 | -22.6 | 0 | 0 | 0 | 112.2 | R2219 V2231 N2232 T2238 A2239 | R2219-D2235 IonicContact CZ-OD1 2.85Å; R2219-D2235 VanDerWaalsContact CZ-OD1 3.28Å; R2219-D2235 IonicContact CZ-OD2 3.97Å; R2219-D2235 IonicContact NE-OD1 2.66Å; R2219-D2235 PolarHBondContact NE-OD1 2.75Å; R2219-D2235 IonicContact NE-OD2 4Å; R2219-D2235 VanDerWaalsContact NH2-CG 3.29Å; R2219-D2235 IonicContact NH2-OD1 2.7Å; R2219-D2235 PolarHBondContact NH2-OD1 3.4Å; R2219-D2235 IonicContact NH2-OD2 2.78Å; R2219-D2235 PolarHBondContact NH2-OD2 3.5Å; V2231-D2235 WeakPolarHBondContact O-CB 3.49Å; V2231-D2235 PolarHBondContact O-N 2.63Å; N2232-D2235 PolarHBondContact O-N 3.27Å; D2235-T2238 WeakPolarHBondContact CA-OG1 3.41Å; D2235-T2238 PolarHBondContact O-OG1 3.15Å; D2235-A2239 WeakPolarHBondContact O-CB 3.44Å; D2235-A2239 PolarHBondContact O-N 2.96Å; D2235-A2239 VanDerWaalsContact O-N 3.08Å |
| 2236 | E | 85.1 | Confident | 67.8 | Low | 118 Ų | 118 | 83 Ų | 83 | 55% | 0.551 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -67.3 | -43.7 | 173.4 | -76.5 | 177.2 | -175.3 | 0 | 0 | 112 | N2232 L2233 A2239 N2240 | N2232-E2236 WeakPolarHBondContact O-CG 3.36Å; N2232-E2236 PolarHBondContact O-N 3.08Å; L2233-E2236 PolarHBondContact O-N 3.24Å; E2236-A2239 PolarHBondContact O-N 3.38Å; E2236-N2240 PolarHBondContact O-N 2.86Å; E2236-N2240 PolarHBondContact O-ND2 2.68Å |
| 2237 | Y | 81.2 | Confident | 64.7 | Low | 65 Ų | 65 | 87 Ų | 87 | 26% | 0.255 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -73.6 | -36.2 | 178.9 | -86.8 | -105.1 | 0 | 0 | 0 | 113.1 | L2202 L2203 L2233 L2234 A2239 N2240 S2241 | L2202-Y2237 HydrophobicContact CB-CD1 3.78Å; L2202-Y2237 HydrophobicContact CB-CE1 3.74Å; L2202-Y2237 HydrophobicContact CB-CG 4.2Å; L2202-Y2237 HydrophobicContact CD1-CD1 4.47Å; L2202-Y2237 HydrophobicContact CD1-CD2 4.04Å; L2202-Y2237 HydrophobicContact CD1-CE2 4.45Å; L2202-Y2237 HydrophobicContact CD1-CG 4.04Å; L2202-Y2237 HydrophobicContact CD2-CD1 4.5Å; L2202-Y2237 HydrophobicContact CG-CD1 4.48Å; L2202-Y2237 HydrophobicContact CG-CG 4.49Å; L2203-Y2237 WeakPolarHBondContact CD2-OH 3.1Å; L2233-Y2237 HydrophobicContact CD1-CD2 3.97Å; L2233-Y2237 HydrophobicContact CD1-CE2 3.75Å; L2233-Y2237 HydrophobicContact CG-CD2 4.38Å; L2233-Y2237 WeakPolarHBondContact O-CD2 3.33Å; L2233-Y2237 PolarHBondContact O-N 3.12Å; L2234-Y2237 PolarHBondContact O-N 3.2Å; Y2237-A2239 VanDerWaalsContact C-N 3.31Å; Y2237-A2239 PolarHBondContact O-N 3.34Å; Y2237-N2240 PolarHBondContact O-N 3.22Å; Y2237-S2241 PolarHBondContact O-N 3.14Å |
| 2238 | T | 74.4 | Confident | 61.3 | Low | 46 Ų | 46 | 90 Ų | 90 | 28% | 0.282 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.3 | -27.3 | 172 | 52 | 0 | 0 | 0 | 0 | 113 | L2208 L2234 D2235 S2241 | L2208-T2238 HydrophobicContact CB-CG2 4.13Å; L2208-T2238 HydrophobicContact CD1-CG2 3.8Å; L2208-T2238 HydrophobicContact CD2-CG2 4.12Å; L2208-T2238 HydrophobicContact CG-CG2 4.24Å; L2234-T2238 WeakPolarHBondContact O-CB 3.39Å; L2234-T2238 WeakPolarHBondContact O-CG2 3.14Å; L2234-T2238 PolarHBondContact O-N 2.66Å; L2234-T2238 PolarHBondContact O-OG1 3.01Å; D2235-T2238 WeakPolarHBondContact CA-OG1 3.41Å; D2235-T2238 PolarHBondContact O-OG1 3.15Å; T2238-S2241 PolarHBondContact O-OG 2.89Å |
| 2239 | A | 51.4 | Low | 58.2 | Low | 70 Ų | 70 | 86.7 Ų | 86.7 | 58% | 0.579 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.8 | -37.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D2235 E2236 Y2237 | D2235-A2239 WeakPolarHBondContact O-CB 3.44Å; D2235-A2239 PolarHBondContact O-N 2.96Å; D2235-A2239 VanDerWaalsContact O-N 3.08Å; E2236-A2239 PolarHBondContact O-N 3.38Å; Y2237-A2239 VanDerWaalsContact C-N 3.31Å; Y2237-A2239 PolarHBondContact O-N 3.34Å |
| 2240 | N | 51.9 | Low | 55 | Low | 102 Ų | 102 | 88.2 Ų | 88.2 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -83.7 | -23.1 | -176.7 | -69.9 | -35 | 0 | 0 | 0 | 114.5 | E2236 Y2237 N2242 T2243 | E2236-N2240 PolarHBondContact O-N 2.86Å; E2236-N2240 PolarHBondContact O-ND2 2.68Å; Y2237-N2240 PolarHBondContact O-N 3.22Å; N2240-N2242 PolarHBondContact O-N 3.03Å; N2240-T2243 PolarHBondContact O-N 3.02Å; N2240-T2243 VanDerWaalsContact O-N 3.15Å; N2240-T2243 PolarHBondContact O-OG1 3Å |
| 2241 | S | 41.9 | Very low | 51.8 | Low | 82 Ų | 82 | 94.5 Ų | 94.5 | 57% | 0.573 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -5.5 | 179.9 | 65 | 0 | 0 | 0 | 0 | 114.9 | Y2237 T2238 | Y2237-S2241 PolarHBondContact O-N 3.14Å; T2238-S2241 PolarHBondContact O-OG 2.89Å |
| 2242 | N | 29.4 | Very low | 48.7 | Very low | 143 Ų | 143 | 100.7 Ų | 100.7 | 77% | 0.765 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | 16.3 | 173.5 | -75 | -87.4 | 0 | 0 | 0 | 113.7 | N2240 | N2240-N2242 PolarHBondContact O-N 3.03Š|
| 2243 | T | 26.4 | Very low | 45.7 | Very low | 99 Ų | 99 | 106.4 Ų | 106.4 | 61% | 0.607 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -128.8 | 138.6 | 173.5 | 36.3 | 0 | 0 | 0 | 0 | 112.6 | N2240 Y2245 | N2240-T2243 PolarHBondContact O-N 3.02Å; N2240-T2243 VanDerWaalsContact O-N 3.15Å; N2240-T2243 PolarHBondContact O-OG1 3Å; T2243-Y2245 PolarHBondContact O-N 3.45Å |
| 2244 | E | 25.1 | Very low | 42.5 | Very low | 179 Ų | 179 | 113 Ų | 113 | 84% | 0.836 | 63% | 0.628 | S | S | * | * | trans | -64.7 | 125.5 | -173.3 | -63.8 | 171.7 | 112.9 | 0 | 0 | 113.3 | ||||
| 2245 | Y | 23.2 | Very low | 39.2 | Very low | 230 Ų | 230 | 122.9 Ų | 122.9 | 90% | 0.902 | 67% | 0.666 | S | S | * | * | trans | -116.1 | 56.8 | 156.4 | -97.7 | -79 | 0 | 0 | 0 | 111.8 | T2243 | T2243-Y2245 PolarHBondContact O-N 3.45Š| ||
| 2246 | C | 21.2 | Very low | 36 | Very low | 100 Ų | 100 | 130 Ų | 130 | 68% | 0.676 | 69% | 0.693 | S | S | * | * | trans | -151 | 124.6 | 170.6 | -102.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 2247 | T | 23.8 | Very low | 33.1 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 71% | 0.712 | 70% | 0.7 | S | S | * | * | cis | -157.5 | -179.2 | 12 | 59 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2248 | S | 23.1 | Very low | 30.3 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 83% | 0.832 | 72% | 0.717 | S | S | * | * | trans | 93.4 | 121.4 | 145.8 | -60.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 2249 | G | 25.7 | Very low | 27.9 | Very low | 73 Ų | 73 | 138.7 Ų | 138.7 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | trans | -166.7 | -39.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 2250 | N | 24.2 | Very low | 26.6 | Very low | 138 Ų | 138 | 144.7 Ų | 144.7 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | trans | 48.1 | 111.5 | 153.7 | -155.8 | 13.2 | 0 | 0 | 0 | 120.7 | ||||
| 2251 | L | 26.6 | Very low | 25.2 | Very low | 134 Ų | 134 | 144.7 Ų | 144.7 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | 169.7 | 140.8 | 111.2 | -90.1 | 165.8 | 0 | 0 | 0 | 116.1 | |||||
| 2252 | N | 26.8 | Very low | 24.6 | Very low | 139 Ų | 139 | 146.2 Ų | 146.2 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | trans | 69.3 | 78.1 | 150.2 | -64.9 | -15 | 0 | 0 | 0 | 121.9 | ||||
| 2253 | K | 27 | Very low | 24.3 | Very low | 215 Ų | 215 | 148.5 Ų | 148.5 | 94% | 0.935 | 77% | 0.771 | S | S | * | * | S | Bend | -126.8 | 155.4 | 106.7 | -98.3 | -173.2 | 178.3 | -178.4 | 0 | 109.4 | |||
| 2254 | T | 24.2 | Very low | 24.1 | Very low | 142 Ų | 142 | 149 Ų | 149 | 87% | 0.871 | 77% | 0.774 | S | S | * | * | trans | -66.2 | 129.2 | -162.4 | 42.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 2255 | R | 22.9 | Very low | 24 | Very low | 210 Ų | 210 | 147.6 Ų | 147.6 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | trans | -81.1 | 142.9 | 147.6 | -70.8 | -172.4 | -178.3 | -168.2 | -1.4 | 109.7 | ||||
| 2256 | K | 21.4 | Very low | 24 | Very low | 209 Ų | 209 | 142 Ų | 142 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | trans | -104 | 124.1 | 132.2 | -100.5 | -173.1 | 175.6 | -178.5 | 0 | 105.8 | ||||
| 2257 | H | 23.5 | Very low | 24.2 | Very low | 148 Ų | 148 | 142.5 Ų | 142.5 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | trans | -157.1 | 162.7 | 170.1 | -137.1 | -92.3 | 0 | 0 | 0 | 109 | ||||
| 2258 | D | 22.5 | Very low | 24.2 | Very low | 115 Ų | 115 | 143.2 Ų | 143.2 | 62% | 0.615 | 76% | 0.761 | S | S | * | * | trans | 67.5 | 125.9 | 168.5 | -43.4 | -37.9 | 0 | 0 | 0 | 116.9 | ||||
| 2259 | L | 25 | Very low | 24.2 | Very low | 149 Ų | 149 | 142.5 Ų | 142.5 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | -164.6 | 67.2 | 118.5 | -104.9 | 161.6 | 0 | 0 | 0 | 112.6 | |||||
| 2260 | F | 22 | Very low | 24.3 | Very low | 196 Ų | 196 | 145.7 Ų | 145.7 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | trans | -64.6 | 152.5 | 139.6 | -126 | -88.2 | 0 | 0 | 0 | 108.1 | ||||
| 2261 | T | 22.6 | Very low | 24.4 | Very low | 103 Ų | 103 | 144.8 Ų | 144.8 | 63% | 0.632 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 75.3 | 76.9 | -177.9 | 72.4 | 0 | 0 | 0 | 0 | 117.7 | ||
| 2262 | S | 30.4 | Very low | 24.3 | Very low | 113 Ų | 113 | 145.9 Ų | 145.9 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | 34.4 | 117.7 | 128.3 | 56 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 2263 | K | 22.6 | Very low | 24.1 | Very low | 191 Ų | 191 | 144.3 Ų | 144.3 | 83% | 0.83 | 76% | 0.758 | S | S | * | * | trans | -160.7 | 152.6 | 164 | -108.7 | 161.8 | -169.3 | 159.7 | 0 | 108.6 | ||||
| 2264 | T | 23 | Very low | 24.1 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 67% | 0.669 | 75% | 0.75 | S | S | * | * | cis | -144.1 | 138.6 | 16.8 | 46.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 2265 | L | 21.7 | Very low | 24.1 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | 58.3 | 153.4 | 138.8 | -76.7 | 82.7 | 0 | 0 | 0 | 119.1 | ||||
| 2266 | T | 24.6 | Very low | 24.7 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | cis | -146.9 | 150 | 40.6 | 54.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 2267 | T | 23.9 | Very low | 24.9 | Very low | 109 Ų | 109 | 136 Ų | 136 | 67% | 0.669 | 74% | 0.736 | S | S | * | * | trans | 43.8 | 135.7 | 140.8 | 60 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 2268 | D | 24.5 | Very low | 24.9 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | cis | -164.7 | 134.6 | 12.6 | -111.6 | -11.6 | 0 | 0 | 0 | 115.5 | ||||
| 2269 | T | 23.5 | Very low | 24.9 | Very low | 104 Ų | 104 | 135.7 Ų | 135.7 | 64% | 0.638 | 74% | 0.743 | S | S | * | * | trans | 62.7 | 149.2 | 140.2 | 67 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 2270 | N | 26.5 | Very low | 24.8 | Very low | 141 Ų | 141 | 133.7 Ų | 133.7 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | trans | 83.3 | 131.6 | 157.9 | -51.4 | -50.6 | 0 | 0 | 0 | 118.2 | ||||
| 2271 | T | 27.3 | Very low | 24.8 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 73% | 0.73 | 74% | 0.736 | S | S | * | * | cis | -160.8 | 143.5 | -12.9 | 23.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 2272 | L | 24.1 | Very low | 24.7 | Very low | 157 Ų | 157 | 133 Ų | 133 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | cis | 110.1 | 131.7 | 23.1 | -169.4 | 80.7 | 0 | 0 | 0 | 112.6 | ||||
| 2273 | S | 23.8 | Very low | 24.4 | Very low | 106 Ų | 106 | 135 Ų | 135 | 74% | 0.741 | 73% | 0.733 | S | S | * | * | trans | 80.9 | 150.3 | 163.4 | 80.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 2274 | T | 27 | Very low | 24.5 | Very low | 128 Ų | 128 | 130 Ų | 130 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | cis | -134.6 | 147.9 | 20.5 | 45.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 2275 | L | 23.3 | Very low | 24.4 | Very low | 163 Ų | 163 | 135 Ų | 135 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | trans | -119 | -168.3 | 157.4 | -121.7 | 72.8 | 0 | 0 | 0 | 105.8 | ||||
| 2276 | P | 36.2 | Very low | 24.4 | Very low | 94 Ų | 94 | 133.1 Ų | 133.1 | 61% | 0.61 | 73% | 0.728 | S | S | * | * | cis | -138.1 | -172.2 | -29.4 | 30.8 | -8.5 | 0 | 0 | 0 | 114 | ||||
| 2277 | R | 25.1 | Very low | 24.3 | Very low | 215 Ų | 215 | 132.5 Ų | 132.5 | 81% | 0.811 | 73% | 0.728 | S | S | * | * | 147.7 | 115.8 | 125.2 | -75.2 | -151.9 | 164.2 | 173.8 | -5.4 | 113.9 | |||||
| 2278 | I | 23.4 | Very low | 24.3 | Very low | 133 Ų | 133 | 137.1 Ų | 137.1 | 68% | 0.682 | 74% | 0.735 | S | S | * | * | 76.3 | 112.1 | 77.6 | -63.6 | 165.5 | 0 | 0 | 0 | 114.9 | |||||
| 2279 | T | 22.7 | Very low | 24.2 | Very low | 125 Ų | 125 | 140 Ų | 140 | 77% | 0.767 | 74% | 0.741 | S | S | * | * | 176.1 | 126.8 | 119.2 | 37.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 2280 | S | 22 | Very low | 24.3 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | trans | 35.3 | 146.9 | 142.9 | 65.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 2281 | M | 21.6 | Very low | 24.1 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 74% | 0.744 | 74% | 0.744 | S | S | * | * | cis | -171 | 143.7 | 29.5 | -149.4 | 144.9 | 164.9 | 0 | 0 | 112.7 | ||||
| 2282 | E | 22.2 | Very low | 24.3 | Very low | 134 Ų | 134 | 138.4 Ų | 138.4 | 63% | 0.626 | 74% | 0.74 | S | S | * | * | trans | 56.7 | 122.4 | 144.6 | -70.1 | -177.5 | 138.9 | 0 | 0 | 126.1 | ||||
| 2283 | Q | 24.2 | Very low | 24.3 | Very low | 156 Ų | 156 | 138 Ų | 138 | 73% | 0.729 | 73% | 0.732 | S | S | * | * | 70.7 | 150.4 | 126.5 | -62.5 | -179.6 | 39.5 | 0 | 0 | 122.4 | |||||
| 2284 | S | 23.4 | Very low | 24.2 | Very low | 85 Ų | 85 | 138 Ų | 138 | 59% | 0.594 | 72% | 0.723 | S | S | * | * | cis | -169.9 | 164.1 | -23.8 | 59.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 2285 | Y | 22.2 | Very low | 24 | Very low | 213 Ų | 213 | 139.7 Ų | 139.7 | 84% | 0.835 | 72% | 0.716 | S | S | * | * | trans | 55.4 | 112.3 | 160.9 | -66 | -69 | 0 | 0 | 0 | 124.9 | ||||
| 2286 | C | 21.1 | Very low | 24 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 76% | 0.757 | 69% | 0.685 | S | S | * | * | 26.4 | 139.9 | 125.4 | -52.3 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 2287 | S | 22.9 | Very low | 23.3 | Very low | 100 Ų | 100 | 134.3 Ų | 134.3 | 70% | 0.699 | 68% | 0.683 | S | S | * | * | 170.9 | 159.6 | 92.8 | 52.2 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 2288 | Y | 23.1 | Very low | 23.2 | Very low | 207 Ų | 207 | 130 Ų | 130 | 81% | 0.812 | 68% | 0.676 | S | S | * | * | trans | 67.6 | 107 | 165.1 | -65.2 | -73.2 | 0 | 0 | 0 | 122.9 | ||||
| 2289 | F | 21.6 | Very low | 23.2 | Very low | 191 Ų | 191 | 129.5 Ų | 129.5 | 84% | 0.838 | 68% | 0.675 | S | S | * | * | 26.2 | 158.8 | 109.3 | -80.8 | -86.2 | 0 | 0 | 0 | 121.2 | |||||
| 2290 | P | 27.3 | Very low | 23.1 | Very low | 96 Ų | 96 | 131 Ų | 131 | 62% | 0.623 | 67% | 0.673 | S | S | * | * | cis | -144.5 | 169.2 | 9.3 | 31.4 | -7.2 | 0 | 0 | 0 | 120.3 | ||||
| 2291 | T | 21.5 | Very low | 23.3 | Very low | 133 Ų | 133 | 132.1 Ų | 132.1 | 82% | 0.816 | 67% | 0.667 | S | S | * | * | trans | 80.5 | 150.2 | 143.4 | 51.8 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 2292 | P | 31.1 | Very low | 23.3 | Very low | 102 Ų | 102 | 132.1 Ų | 132.1 | 66% | 0.662 | 67% | 0.665 | S | S | * | * | trans | -133.7 | -172 | -151.8 | 43.8 | -25.5 | 0 | 0 | 0 | 116.5 | ||||
| 2293 | K | 24 | Very low | 23.3 | Very low | 147 Ų | 147 | 131.8 Ų | 131.8 | 64% | 0.639 | 67% | 0.667 | S | S | * | * | trans | 171.3 | 158.2 | 150.4 | -94.6 | 144.6 | -149.7 | -45.7 | 0 | 111.9 | ||||
| 2294 | L | 22.3 | Very low | 23.2 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 56% | 0.56 | 66% | 0.664 | S | S | * | * | cis | 163.8 | 139.7 | -30.4 | -111 | 172.5 | 0 | 0 | 0 | 107.8 | ||||
| 2295 | Y | 22.3 | Very low | 23.1 | Very low | 164 Ų | 164 | 133.7 Ų | 133.7 | 64% | 0.643 | 67% | 0.667 | S | S | * | * | trans | 66.6 | 151.7 | 167 | -63.5 | -51.1 | 0 | 0 | 0 | 117 | M1599 | M1599-Y2295 VanDerWaalsContact SD-O 3.33Š| ||
| 2296 | D | 22.9 | Very low | 23.3 | Very low | 36 Ų | 36 | 133.1 Ų | 133.1 | 19% | 0.193 | 67% | 0.665 | C | S | . | * | cis | -157.9 | 153.7 | 5 | -139.5 | 60.5 | 0 | 0 | 0 | 115 | K1598 M1599 | K1598-D2296 HydrophobicContact CD-CB 3.87Å; K1598-D2296 WeakPolarHBondContact CD-OD2 3.39Å; K1598-D2296 WeakPolarHBondContact CE-OD2 3.42Å; K1598-D2296 IonicContact NZ-OD1 3.75Å; K1598-D2296 PolarHBondContact NZ-OD1 2.02Å; K1598-D2296 IonicContact NZ-OD2 2.91Å; K1598-D2296 PolarHBondContact NZ-OD2 3Å; M1599-D2296 HydrophobicContact CE-CB 3.85Å; M1599-D2296 VanDerWaalsContact CE-O 3.24Å; M1599-D2296 WeakPolarHBondContact CE-O 3.36Å; M1599-D2296 HydrophobicContact CG-CB 4.32Å; M1599-D2296 HydrophobicContact SD-CB 4.38Å; M1599-D2296 PolarHBondContact SD-N 3.14Å | ||
| 2297 | N | 22 | Very low | 23.3 | Very low | 108 Ų | 108 | 133.2 Ų | 133.2 | 58% | 0.578 | 66% | 0.658 | S | S | * | * | trans | 40.6 | 132.2 | 137.1 | -70 | 30.5 | 0 | 0 | 0 | 126.2 | ||||
| 2298 | N | 22.6 | Very low | 23.4 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 66% | 0.658 | 66% | 0.663 | S | S | * | * | trans | 90 | 105.9 | 130.3 | -67.2 | 22.7 | 0 | 0 | 0 | 123.3 | ||||
| 2299 | N | 23.1 | Very low | 23.4 | Very low | 124 Ų | 124 | 133 Ų | 133 | 66% | 0.663 | 66% | 0.662 | S | S | * | * | 75.8 | 110.1 | 122.4 | -65.9 | 19.2 | 0 | 0 | 0 | 123.4 | |||||
| 2300 | Q | 22.6 | Very low | 23.5 | Very low | 156 Ų | 156 | 127.8 Ų | 127.8 | 73% | 0.729 | 65% | 0.65 | S | S | * | * | 97.6 | 153.8 | 115.6 | -82.6 | 179.8 | -32.7 | 0 | 0 | 123.5 | |||||
| 2301 | H | 24.4 | Very low | 23.5 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 60% | 0.602 | 66% | 0.657 | S | S | * | * | trans | 67.5 | 87.7 | 164.3 | -68.4 | -69 | 0 | 0 | 0 | 122.6 | ||||
| 2302 | Q | 22.3 | Very low | 23.8 | Very low | 150 Ų | 150 | 129.6 Ų | 129.6 | 70% | 0.701 | 65% | 0.652 | S | S | * | * | 72.1 | 147 | 100.3 | -90.3 | -178.3 | -16 | 0 | 0 | 124.5 | |||||
| 2303 | L | 21.8 | Very low | 23.6 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 67% | 0.67 | 65% | 0.651 | S | S | * | * | trans | 72.4 | 101.9 | 144.9 | -68.8 | 166.9 | 0 | 0 | 0 | 119 | ||||
| 2304 | T | 22.2 | Very low | 23.7 | Very low | 108 Ų | 108 | 131.9 Ų | 131.9 | 66% | 0.663 | 65% | 0.654 | S | S | * | * | 87.5 | 159.7 | 85.7 | 52.9 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 2305 | Y | 22.8 | Very low | 23.9 | Very low | 172 Ų | 172 | 133.4 Ų | 133.4 | 68% | 0.675 | 66% | 0.662 | S | S | * | * | cis | -153.8 | 171.4 | -0.5 | -134.9 | -70.8 | 0 | 0 | 0 | 110.1 | ||||
| 2306 | Y | 24.8 | Very low | 23.9 | Very low | 202 Ų | 202 | 130.2 Ų | 130.2 | 79% | 0.792 | 66% | 0.663 | S | S | * | * | trans | 78.3 | 156.7 | 161.3 | -58.7 | -65.7 | 0 | 0 | 0 | 120.6 | ||||
| 2307 | D | 21.7 | Very low | 24 | Very low | 113 Ų | 113 | 135 Ų | 135 | 60% | 0.604 | 69% | 0.694 | S | S | * | * | 167.8 | 173.5 | -55.1 | -95.2 | -52.7 | 0 | 0 | 0 | 111.4 | |||||
| 2308 | T | 24.1 | Very low | 24.2 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | trans | 72.4 | 155.6 | 164.1 | 72.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 2309 | E | 23.8 | Very low | 24.4 | Very low | 171 Ų | 171 | 135.5 Ų | 135.5 | 80% | 0.799 | 72% | 0.715 | S | S | * | * | cis | -167.7 | 164.8 | -24.4 | -102.8 | -135.6 | -66 | 0 | 0 | 107.5 | ||||
| 2310 | S | 23.1 | Very low | 24.8 | Very low | 83 Ų | 83 | 134.8 Ų | 134.8 | 58% | 0.58 | 72% | 0.718 | S | S | * | * | cis | -167.1 | -97.1 | -34 | 62.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 2311 | I | 27.4 | Very low | 24.8 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 76% | 0.764 | 72% | 0.719 | S | S | * | * | trans | 52 | 111.2 | 164.1 | -60 | 171.2 | 0 | 0 | 0 | 117.5 | ||||
| 2312 | T | 28 | Very low | 24.8 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 72% | 0.718 | 73% | 0.725 | S | S | * | * | cis | -159.7 | -162.4 | -13.6 | 37.6 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 2313 | H | 26.7 | Very low | 24.9 | Very low | 137 Ų | 137 | 131.6 Ų | 131.6 | 63% | 0.634 | 73% | 0.73 | S | S | * | * | cis | -164.9 | 130.6 | 14.2 | -160.6 | 63.2 | 0 | 0 | 0 | 111.9 | ||||
| 2314 | K | 26.9 | Very low | 25 | Very low | 160 Ų | 160 | 132.5 Ų | 132.5 | 70% | 0.696 | 73% | 0.731 | S | S | * | * | trans | 66.2 | 134.8 | 162.4 | -68.5 | 179.6 | 171.1 | 142.1 | 0 | 118.5 | ||||
| 2315 | L | 25.7 | Very low | 25.1 | Very low | 139 Ų | 139 | 137.6 Ų | 137.6 | 73% | 0.728 | 74% | 0.739 | S | S | * | * | cis | -164.9 | 133.2 | -6.4 | -126.4 | 164.9 | 0 | 0 | 0 | 110.2 | ||||
| 2316 | S | 23.9 | Very low | 25 | Very low | 97 Ų | 97 | 134.4 Ų | 134.4 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | trans | 52.1 | 143.9 | 156.8 | -99.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 2317 | T | 24.3 | Very low | 25 | Very low | 136 Ų | 136 | 133.7 Ų | 133.7 | 83% | 0.834 | 75% | 0.748 | S | S | * | * | cis | -171.6 | 148 | -21.2 | 10.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 2318 | G | 27 | Very low | 25 | Very low | 79 Ų | 79 | 135.6 Ų | 135.6 | 81% | 0.814 | 76% | 0.755 | S | S | * | * | trans | 115.5 | 130.9 | 168 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 2319 | N | 25.3 | Very low | 25 | Very low | 163 Ų | 163 | 136.5 Ų | 136.5 | 87% | 0.872 | 75% | 0.748 | S | S | * | * | trans | -146.3 | 153.9 | -173.5 | -155.3 | 43.5 | 0 | 0 | 0 | 110.4 | ||||
| 2320 | P | 32.9 | Very low | 25.1 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | trans | -111.1 | 170.8 | -171.2 | 40.4 | -33.4 | 0 | 0 | 0 | 116.2 | ||||
| 2321 | A | 22.5 | Very low | 25.2 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | trans | 112.2 | 133.3 | 150.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 2322 | S | 23.4 | Very low | 25.1 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | 57.6 | 122.7 | 155.7 | 55.8 | 0 | 0 | 0 | 0 | 123 | ||||
| 2323 | Q | 25.2 | Very low | 24.9 | Very low | 173 Ų | 173 | 131.1 Ų | 131.1 | 81% | 0.808 | 73% | 0.733 | S | S | * | * | trans | 41.8 | 136.9 | 130.9 | -61.9 | -178.7 | -29 | 0 | 0 | 120.3 | ||||
| 2324 | H | 23.4 | Very low | 24.8 | Very low | 148 Ų | 148 | 128.4 Ų | 128.4 | 69% | 0.685 | 72% | 0.723 | S | S | * | * | cis | -152.8 | 147.4 | 3.1 | -123.4 | 92.3 | 0 | 0 | 0 | 109.8 | ||||
| 2325 | Y | 23.7 | Very low | 24.8 | Very low | 214 Ų | 214 | 126.2 Ų | 126.2 | 84% | 0.839 | 72% | 0.717 | S | S | * | * | trans | 42 | 120.5 | 160.7 | -87.7 | -118.9 | 0 | 0 | 0 | 122.6 | ||||
| 2326 | S | 21.8 | Very low | 24.7 | Very low | 106 Ų | 106 | 125.7 Ų | 125.7 | 74% | 0.741 | 72% | 0.715 | S | S | * | * | trans | -167.8 | 127.9 | 131.7 | -169.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 2327 | M | 23.3 | Very low | 24.6 | Very low | 186 Ų | 186 | 127.4 Ų | 127.4 | 92% | 0.916 | 71% | 0.712 | S | S | * | * | trans | 59.3 | 174 | 148.4 | -71.3 | -167.6 | 168.9 | 0 | 0 | 123.4 | ||||
| 2328 | M | 22.5 | Very low | 24.6 | Very low | 153 Ų | 153 | 128.7 Ų | 128.7 | 75% | 0.754 | 71% | 0.706 | S | S | * | * | trans | -109.4 | 165.3 | -155.5 | -80.2 | -165.7 | 178.3 | 0 | 0 | 115.6 | ||||
| 2329 | K | 24.4 | Very low | 24.5 | Very low | 151 Ų | 151 | 133.6 Ų | 133.6 | 66% | 0.657 | 71% | 0.708 | S | S | * | * | trans | 65.7 | 121.9 | 159.4 | -72 | 164.4 | -177.5 | 173.1 | 0 | 114.9 | ||||
| 2330 | S | 25.8 | Very low | 24.5 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 80% | 0.797 | 70% | 0.702 | S | S | * | * | 65.8 | 135.7 | 50.6 | -151.6 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 2331 | A | 24.7 | Very low | 24.3 | Very low | 76 Ų | 76 | 131.1 Ų | 131.1 | 63% | 0.628 | 70% | 0.702 | S | S | * | * | cis | -154.1 | -163.8 | 24.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2332 | V | 25.1 | Very low | 24.8 | Very low | 102 Ų | 102 | 135.2 Ų | 135.2 | 62% | 0.618 | 70% | 0.703 | S | S | * | * | trans | 72.5 | 130.2 | 148 | 160.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 2333 | K | 23.9 | Very low | 25.1 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 50% | 0.496 | 70% | 0.704 | S | S | . | * | cis | -171 | 168.2 | -3.4 | -118.4 | -179.6 | 171.2 | -121.6 | 0 | 106.3 | I839 | I839-K2333 HydrophobicContact CD1-CD 4.32Å; I839-K2333 HydrophobicContact CG1-CD 4.46Å | ||
| 2334 | D | 25.2 | Very low | 25.3 | Very low | 81 Ų | 81 | 137.3 Ų | 137.3 | 43% | 0.433 | 70% | 0.704 | S | S | . | * | cis | -161.7 | -177.5 | 4.2 | -143.8 | -20.3 | 0 | 0 | 0 | 110.7 | I839 | I839-D2334 HydrophobicContact CD1-CB 4.39Š| ||
| 2335 | M | 26.1 | Very low | 25.6 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 56% | 0.562 | 71% | 0.709 | S | S | * | * | trans | 67.7 | 97.8 | 143.4 | -77.4 | 179.3 | -80.3 | 0 | 0 | 122.3 | I839 | I839-M2335 HydrophobicContact CD1-CE 3.72Š| ||
| 2336 | N | 23.3 | Very low | 25.8 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 68% | 0.684 | 70% | 0.704 | S | S | * | * | 70.1 | 119.7 | 96.8 | -68.4 | 0.8 | 0 | 0 | 0 | 123.3 | |||||
| 2337 | E | 23.4 | Very low | 26 | Very low | 133 Ų | 133 | 134.4 Ų | 134.4 | 62% | 0.621 | 71% | 0.707 | S | S | * | * | 83.1 | 136.3 | 116.4 | -71.4 | -163.3 | 135.7 | 0 | 0 | 124.8 | |||||
| 2338 | K | 24.6 | Very low | 26 | Very low | 163 Ų | 163 | 130.1 Ų | 130.1 | 71% | 0.709 | 69% | 0.694 | S | S | * | * | trans | 67.6 | 175.3 | 141.5 | -68.3 | 168.2 | -175.2 | 151.7 | 0 | 115.4 | ||||
| 2339 | E | 23.6 | Very low | 26.2 | Very low | 181 Ų | 181 | 129.7 Ų | 129.7 | 85% | 0.846 | 69% | 0.693 | S | S | * | * | cis | -138.8 | 169.3 | 18.7 | -97.6 | -160.6 | 146.7 | 0 | 0 | 116.5 | ||||
| 2340 | C | 26.4 | Very low | 26.3 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 75% | 0.75 | 70% | 0.698 | S | S | * | * | trans | -60.4 | 179.2 | 166.5 | -51.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 2341 | P | 28.8 | Very low | 26.4 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 71% | 0.714 | 70% | 0.695 | S | S | * | * | -149.8 | 173.8 | 94.5 | 38.6 | -20 | 0 | 0 | 0 | 112.9 | |||||
| 2342 | K | 31.4 | Very low | 26.7 | Very low | 178 Ų | 178 | 132.1 Ų | 132.1 | 77% | 0.774 | 70% | 0.7 | S | S | * | * | cis | -147.8 | 166.3 | 29.4 | -56.7 | 153.9 | -174 | 159.2 | 0 | 107.1 | ||||
| 2343 | S | 30.7 | Very low | 27 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 75% | 0.748 | 70% | 0.703 | S | S | * | * | cis | -170.4 | 160.1 | 29.8 | 66.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2344 | R | 30.2 | Very low | 27.3 | Very low | 214 Ų | 214 | 133 Ų | 133 | 81% | 0.808 | 72% | 0.715 | S | S | * | * | cis | -172.9 | 163.5 | -10.8 | -114.3 | 177.4 | 170.3 | 177.4 | -5.6 | 110.1 | ||||
| 2345 | S | 28.5 | Very low | 27.3 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | trans | 73.2 | 143.7 | 161.3 | 75.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 2346 | V | 28.4 | Very low | 27.5 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 74% | 0.739 | 74% | 0.743 | S | S | * | * | cis | -129.9 | 132.7 | 19 | 175.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2347 | H | 25.1 | Very low | 27.8 | Very low | 171 Ų | 171 | 135.5 Ų | 135.5 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | trans | 63.7 | 107.9 | 156.2 | -71.6 | -23.4 | 0 | 0 | 0 | 125.1 | ||||
| 2348 | C | 23.7 | Very low | 27.9 | Very low | 96 Ų | 96 | 134.7 Ų | 134.7 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | 109.5 | 123.7 | 106.5 | -79.8 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 2349 | I | 27.1 | Very low | 28.1 | Very low | 144 Ų | 144 | 132.3 Ų | 132.3 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | trans | 73.3 | 127.7 | 146.6 | -61.7 | 166 | 0 | 0 | 0 | 116.5 | ||||
| 2350 | M | 25.9 | Very low | 28.1 | Very low | 155 Ų | 155 | 130.9 Ų | 130.9 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | cis | -163.2 | 150.8 | -8.9 | -112.1 | -175.1 | -166.5 | 0 | 0 | 111.7 | ||||
| 2351 | T | 28.5 | Very low | 28 | Very low | 118 Ų | 118 | 130.1 Ų | 130.1 | 72% | 0.724 | 74% | 0.741 | S | S | * | * | trans | 58.8 | 141.3 | 149.8 | 56 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 2352 | T | 30.8 | Very low | 27.9 | Very low | 119 Ų | 119 | 131 Ų | 131 | 73% | 0.73 | 74% | 0.744 | S | S | * | * | cis | -179.1 | 164.4 | -12.4 | 24.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 2353 | T | 31.3 | Very low | 27.7 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 68% | 0.681 | 75% | 0.748 | S | S | * | * | cis | -176.8 | 134.2 | -44.6 | 27.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 2354 | T | 29.7 | Very low | 27.6 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | 61.4 | 146.4 | 163.6 | 58.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 2355 | T | 27.1 | Very low | 27.5 | Very low | 126 Ų | 126 | 124.9 Ų | 124.9 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | cis | 92.2 | 108.4 | 5.1 | 77.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 2356 | T | 30.1 | Very low | 27.5 | Very low | 130 Ų | 130 | 123 Ų | 123 | 80% | 0.798 | 74% | 0.739 | S | S | * | * | trans | -157.2 | 156.8 | 159.3 | 44.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 2357 | T | 28.5 | Very low | 27.4 | Very low | 119 Ų | 119 | 123.9 Ų | 123.9 | 73% | 0.73 | 75% | 0.745 | S | S | * | * | cis | 93.9 | 132.7 | 5.4 | 72.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 2358 | T | 26.8 | Very low | 27.4 | Very low | 117 Ų | 117 | 119.2 Ų | 119.2 | 72% | 0.718 | 74% | 0.736 | S | S | * | * | cis | -174.9 | 173.5 | -2.8 | 21.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2359 | T | 26.9 | Very low | 27.5 | Very low | 112 Ų | 112 | 120.8 Ų | 120.8 | 69% | 0.687 | 74% | 0.743 | S | S | * | * | trans | 81.1 | 132.9 | 136.9 | 43.6 | 0 | 0 | 0 | 0 | 127.2 | ||||
| 2360 | I | 25.2 | Very low | 27.5 | Very low | 152 Ų | 152 | 119.8 Ų | 119.8 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | 89.7 | 144.4 | 126.7 | -75.2 | 167.3 | 0 | 0 | 0 | 124.8 | |||||
| 2361 | S | 24.6 | Very low | 27.4 | Very low | 95 Ų | 95 | 117.5 Ų | 117.5 | 66% | 0.664 | 74% | 0.742 | S | S | * | * | trans | 100.5 | 79.1 | 149 | 58 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 2362 | T | 26.3 | Very low | 27.9 | Very low | 127 Ų | 127 | 116.9 Ų | 116.9 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | 48.4 | 151.2 | 109.4 | 61.2 | 0 | 0 | 0 | 0 | 125.9 | |||||
| 2363 | I | 26.7 | Very low | 27.7 | Very low | 166 Ų | 166 | 119.2 Ų | 119.2 | 85% | 0.851 | 74% | 0.74 | S | S | * | * | trans | 104.5 | 122.4 | 151.9 | -52.5 | -175.7 | 0 | 0 | 0 | 118.2 | ||||
| 2364 | G | 29 | Very low | 27.6 | Very low | 71 Ų | 71 | 121.3 Ų | 121.3 | 73% | 0.732 | 74% | 0.741 | S | S | * | * | trans | 129.1 | 132.4 | 154.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 2365 | V | 28.2 | Very low | 27.5 | Very low | 134 Ų | 134 | 122.2 Ų | 122.2 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | cis | -172.4 | 131.5 | -47.8 | 139.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 2366 | A | 27.4 | Very low | 27.5 | Very low | 76 Ų | 76 | 123.7 Ų | 123.7 | 63% | 0.628 | 74% | 0.738 | S | S | * | * | trans | 69.3 | 119.9 | 150.1 | 0 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 2367 | T | 27.6 | Very low | 27.3 | Very low | 140 Ų | 140 | 121.8 Ų | 121.8 | 86% | 0.859 | 73% | 0.726 | S | S | * | * | 73.4 | 161.9 | 125.3 | 60 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 2368 | A | 24.3 | Very low | 27.3 | Very low | 73 Ų | 73 | 126.8 Ų | 126.8 | 60% | 0.603 | 73% | 0.733 | S | S | * | * | cis | 178.3 | 169.5 | -37.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 2369 | T | 26.3 | Very low | 27.5 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | trans | 65 | 157.7 | 158.3 | 59.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 2370 | T | 25.6 | Very low | 27.3 | Very low | 122 Ų | 122 | 127.5 Ų | 127.5 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | -175.5 | 173.9 | -59.7 | 28.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 2371 | S | 25.1 | Very low | 27.3 | Very low | 107 Ų | 107 | 126.6 Ų | 126.6 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | trans | 90.4 | 162.3 | 145.5 | 89.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 2372 | P | 37.7 | Very low | 27.3 | Very low | 105 Ų | 105 | 128.4 Ų | 128.4 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | cis | -149.3 | -173.6 | -40.7 | 37.6 | -17.5 | 0 | 0 | 0 | 117.4 | ||||
| 2373 | K | 27.9 | Very low | 27.3 | Very low | 168 Ų | 168 | 128.9 Ų | 128.9 | 73% | 0.73 | 76% | 0.757 | S | S | * | * | trans | 88.6 | 150.7 | 156.2 | -69.2 | -173.7 | -178.5 | -169.3 | 0 | 118.3 | ||||
| 2374 | F | 27.8 | Very low | 27.4 | Very low | 156 Ų | 156 | 127.5 Ų | 127.5 | 68% | 0.684 | 76% | 0.756 | S | S | * | * | cis | -149.2 | 155.9 | 22.1 | -126.3 | -56.6 | 0 | 0 | 0 | 114 | ||||
| 2375 | I | 29 | Very low | 27.3 | Very low | 142 Ų | 142 | 127.5 Ų | 127.5 | 73% | 0.728 | 75% | 0.75 | S | S | * | * | trans | 71.6 | 116.6 | 163.7 | -56.2 | 175.4 | 0 | 0 | 0 | 115 | ||||
| 2376 | E | 26.1 | Very low | 27.3 | Very low | 157 Ų | 157 | 127.8 Ų | 127.8 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | cis | 85.8 | 136.4 | 23.1 | -55 | -170 | 129.1 | 0 | 0 | 115.9 | ||||
| 2377 | T | 27 | Very low | 27.2 | Very low | 90 Ų | 90 | 129.1 Ų | 129.1 | 55% | 0.552 | 76% | 0.756 | S | S | * | * | cis | -165.2 | 173.9 | -11.4 | 18.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 2378 | Y | 28.6 | Very low | 27 | Very low | 223 Ų | 223 | 126.9 Ų | 126.9 | 88% | 0.875 | 75% | 0.747 | S | S | * | * | trans | 79.9 | 135.1 | 164.2 | -51.5 | -71.5 | 0 | 0 | 0 | 117.9 | ||||
| 2379 | G | 29.7 | Very low | 27.2 | Very low | 77 Ų | 77 | 128.4 Ų | 128.4 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | cis | -167.1 | 141.2 | -4.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 2380 | L | 22.4 | Very low | 27.1 | Very low | 167 Ų | 167 | 127.3 Ų | 127.3 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | trans | -140 | 135.2 | 179.8 | -143.5 | 173.2 | 0 | 0 | 0 | 106.7 | ||||
| 2381 | T | 26.6 | Very low | 27 | Very low | 134 Ų | 134 | 129.4 Ų | 129.4 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | -139.6 | 125.9 | -170.8 | 51.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2382 | T | 24 | Very low | 26.9 | Very low | 132 Ų | 132 | 132.4 Ų | 132.4 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | trans | -142.9 | 156.6 | 168.9 | 48.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 2383 | T | 27 | Very low | 26.3 | Very low | 137 Ų | 137 | 133 Ų | 133 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | trans | -163.8 | 152.4 | -177.2 | 45.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 2384 | V | 28 | Very low | 26.2 | Very low | 137 Ų | 137 | 131.9 Ų | 131.9 | 83% | 0.83 | 75% | 0.753 | S | S | * | * | cis | -172 | 149.9 | -13.1 | 127.2 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 2385 | A | 27.2 | Very low | 26.2 | Very low | 72 Ų | 72 | 133.8 Ų | 133.8 | 60% | 0.595 | 76% | 0.761 | S | S | * | * | cis | -172.3 | 169 | -26.9 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 2386 | T | 27.1 | Very low | 26.1 | Very low | 140 Ų | 140 | 136.1 Ų | 136.1 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | trans | 64.1 | 170.9 | 178.4 | 11.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 2387 | S | 25.4 | Very low | 26.1 | Very low | 103 Ų | 103 | 135.1 Ų | 135.1 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | cis | -165.4 | 157.9 | -0.8 | 32.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 2388 | S | 25.3 | Very low | 26 | Very low | 94 Ų | 94 | 138 Ų | 138 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | cis | -177.9 | 171.8 | -18.9 | 56.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 2389 | S | 26.7 | Very low | 25.9 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | 62.4 | 160.8 | 159.9 | 44.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 2390 | S | 25 | Very low | 25.5 | Very low | 106 Ų | 106 | 135.9 Ų | 135.9 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | cis | -172.8 | 124.5 | -43.6 | 52.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 2391 | M | 24.1 | Very low | 25.6 | Very low | 167 Ų | 167 | 132.7 Ų | 132.7 | 82% | 0.823 | 77% | 0.767 | S | S | * | * | trans | 48 | 121.2 | 148.6 | -68.3 | -165.6 | 139.6 | 0 | 0 | 126 | ||||
| 2392 | F | 23.2 | Very low | 25.4 | Very low | 169 Ų | 169 | 130.8 Ų | 130.8 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | 74.5 | 118.7 | 127.4 | -80.3 | -108.5 | 0 | 0 | 0 | 126.2 | |||||
| 2393 | N | 23.5 | Very low | 25.4 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | trans | 80.8 | 101.7 | 131.3 | -73.6 | 15.7 | 0 | 0 | 0 | 127.2 | ||||
| 2394 | N | 27 | Very low | 25.2 | Very low | 144 Ų | 144 | 135 Ų | 135 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | 82.3 | 144.2 | 114.9 | -65.8 | -3 | 0 | 0 | 0 | 126.6 | |||||
| 2395 | K | 26.5 | Very low | 25 | Very low | 195 Ų | 195 | 131.8 Ų | 131.8 | 85% | 0.848 | 74% | 0.737 | S | S | * | * | trans | 80.5 | 124.8 | 177.6 | -69.5 | -168.3 | 172.1 | -173.8 | 0 | 117.2 | ||||
| 2396 | F | 27.6 | Very low | 24.9 | Very low | 191 Ų | 191 | 133.2 Ų | 133.2 | 84% | 0.838 | 73% | 0.734 | S | S | * | * | cis | 73.8 | 129.5 | 43.3 | -77.4 | -94.3 | 0 | 0 | 0 | 113.9 | ||||
| 2397 | D | 27 | Very low | 24.8 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 73% | 0.733 | 73% | 0.725 | S | S | * | * | cis | -163.9 | -177.6 | 5.2 | -156.8 | -0.9 | 0 | 0 | 0 | 113.4 | ||||
| 2398 | L | 23.7 | Very low | 24.9 | Very low | 151 Ų | 151 | 129.6 Ų | 129.6 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | trans | 109.3 | 100.3 | 156.1 | -70.7 | 169.9 | 0 | 0 | 0 | 120.8 | ||||
| 2399 | L | 26.2 | Very low | 24.9 | Very low | 162 Ų | 162 | 131.7 Ų | 131.7 | 85% | 0.848 | 72% | 0.724 | S | S | * | * | -171.8 | 86.6 | 125.2 | -97.6 | 173.5 | 0 | 0 | 0 | 107 | |||||
| 2400 | S | 21.3 | Very low | 24.8 | Very low | 92 Ų | 92 | 133.3 Ų | 133.3 | 64% | 0.643 | 72% | 0.724 | S | S | * | * | 93.4 | 119.7 | 85 | 67.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 2401 | A | 25.8 | Very low | 24.7 | Very low | 100 Ų | 100 | 133.8 Ų | 133.8 | 83% | 0.826 | 72% | 0.722 | S | S | * | * | trans | 68.9 | 145.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 2402 | S | 22.2 | Very low | 24.7 | Very low | 95 Ų | 95 | 130.6 Ų | 130.6 | 66% | 0.664 | 71% | 0.712 | S | S | * | * | cis | -171.9 | 146.3 | -19 | 47.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 2403 | Q | 22.7 | Very low | 24.9 | Very low | 162 Ų | 162 | 131.1 Ų | 131.1 | 76% | 0.757 | 71% | 0.714 | S | S | * | * | trans | 62.2 | 133.5 | 142.8 | -77 | 174 | -42.6 | 0 | 0 | 122.7 | ||||
| 2404 | Y | 23.4 | Very low | 24.9 | Very low | 194 Ų | 194 | 132.7 Ų | 132.7 | 76% | 0.761 | 72% | 0.722 | S | S | * | * | trans | 57.3 | 116 | 145.3 | -70.2 | -65.9 | 0 | 0 | 0 | 123.5 | ||||
| 2405 | S | 24.4 | Very low | 24.8 | Very low | 71 Ų | 71 | 132.4 Ų | 132.4 | 50% | 0.497 | 72% | 0.719 | S | S | . | * | trans | 68.5 | 134.1 | 130.1 | 67.7 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 2406 | L | 24.9 | Very low | 24.6 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 53% | 0.534 | 71% | 0.712 | S | S | . | * | trans | 66.1 | 155.2 | 155.7 | -88.3 | 97.1 | 0 | 0 | 0 | 120.8 | K553 | K553-L2406 HydrophobicContact CB-CD2 4.43Å; K553-L2406 HydrophobicContact CG-CD1 4.26Å; K553-L2406 HydrophobicContact CG-CD2 3.78Å; K553-L2406 HydrophobicContact CG-CG 4.41Å | ||
| 2407 | G | 25.9 | Very low | 24.3 | Very low | 64 Ų | 64 | 124.9 Ų | 124.9 | 66% | 0.66 | 71% | 0.705 | S | S | * | * | trans | 152.8 | 151.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 2408 | S | 26.1 | Very low | 24.3 | Very low | 103 Ų | 103 | 125.2 Ų | 125.2 | 72% | 0.72 | 71% | 0.707 | S | S | * | * | trans | -93.4 | -167.8 | -176.9 | 56.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 2409 | E | 25.8 | Very low | 24.2 | Very low | 137 Ų | 137 | 124.8 Ų | 124.8 | 64% | 0.64 | 71% | 0.705 | S | S | * | * | cis | -158.7 | 173 | 17.3 | -146.2 | -65.1 | 88.9 | 0 | 0 | 110 | ||||
| 2410 | L | 25.5 | Very low | 24.3 | Very low | 139 Ų | 139 | 122.2 Ų | 122.2 | 73% | 0.728 | 70% | 0.696 | S | S | * | * | trans | -63.7 | -171.9 | 153.4 | -74.3 | 60.7 | 0 | 0 | 0 | 110.1 | ||||
| 2411 | T | 22.7 | Very low | 24.5 | Very low | 115 Ų | 115 | 123 Ų | 123 | 71% | 0.706 | 70% | 0.697 | S | S | * | * | cis | -148.1 | 167.6 | 16.5 | 26.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 2412 | T | 24.2 | Very low | 24.5 | Very low | 100 Ų | 100 | 123.4 Ų | 123.4 | 61% | 0.613 | 69% | 0.69 | S | S | * | * | trans | -73.7 | 142.8 | 159.8 | 60.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 2413 | K | 27.1 | Very low | 24.6 | Very low | 181 Ų | 181 | 124.3 Ų | 124.3 | 79% | 0.787 | 69% | 0.691 | S | S | * | * | -158.8 | 173.1 | 52.3 | -90 | 105.9 | -170.5 | 156.7 | 0 | 108.8 | |||||
| 2414 | L | 23.5 | Very low | 24.6 | Very low | 152 Ų | 152 | 122.9 Ų | 122.9 | 80% | 0.796 | 69% | 0.689 | S | S | * | * | cis | -148.7 | -124.3 | 11.1 | -134.1 | 164 | 0 | 0 | 0 | 113.3 | ||||
| 2415 | I | 23.9 | Very low | 24.5 | Very low | 137 Ų | 137 | 119.6 Ų | 119.6 | 70% | 0.703 | 69% | 0.685 | S | S | * | * | trans | -123.6 | 133.7 | -163 | -87 | 167.5 | 0 | 0 | 0 | 114.1 | ||||
| 2416 | T | 22.2 | Very low | 24.4 | Very low | 116 Ų | 116 | 121.8 Ų | 121.8 | 71% | 0.712 | 69% | 0.691 | S | S | * | * | trans | 59.3 | 121.2 | 158.4 | 54.5 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 2417 | T | 23.2 | Very low | 24.3 | Very low | 112 Ų | 112 | 122.6 Ų | 122.6 | 69% | 0.687 | 70% | 0.695 | S | S | * | * | trans | 78.7 | 126.7 | 134.7 | 53.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 2418 | N | 25.1 | Very low | 24.2 | Very low | 144 Ų | 144 | 126.1 Ų | 126.1 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | trans | 73.3 | 139.5 | 159.7 | -48.2 | -17.7 | 0 | 0 | 0 | 116.8 | ||||
| 2419 | D | 23.2 | Very low | 24.1 | Very low | 142 Ų | 142 | 127.9 Ų | 127.9 | 76% | 0.759 | 70% | 0.701 | S | S | * | * | cis | -170.2 | 172.8 | -31.7 | -139.9 | -32.7 | 0 | 0 | 0 | 108.2 | ||||
| 2420 | V | 27.2 | Very low | 23.9 | Very low | 108 Ų | 108 | 127.4 Ų | 127.4 | 66% | 0.655 | 70% | 0.702 | S | S | * | * | trans | 66.2 | 89 | 148.8 | 174.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 2421 | T | 25.4 | Very low | 23.9 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 67% | 0.669 | 70% | 0.699 | S | S | * | * | 73.1 | 119.5 | 124.3 | 68.9 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 2422 | T | 25.4 | Very low | 24 | Very low | 109 Ų | 109 | 126.9 Ų | 126.9 | 67% | 0.669 | 70% | 0.7 | S | S | * | * | 77.1 | 119.7 | 120.9 | 62.2 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 2423 | T | 24.8 | Very low | 24.1 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 69% | 0.693 | 71% | 0.711 | S | S | * | * | 64 | 142.1 | 129.4 | 65.9 | 0 | 0 | 0 | 0 | 120 | |||||
| 2424 | N | 23 | Very low | 24 | Very low | 133 Ų | 133 | 133.2 Ų | 133.2 | 71% | 0.711 | 71% | 0.714 | S | S | * | * | cis | -163 | 157 | 1.3 | -116.5 | 12.1 | 0 | 0 | 0 | 111.9 | ||||
| 2425 | N | 22.3 | Very low | 24 | Very low | 125 Ų | 125 | 132 Ų | 132 | 67% | 0.668 | 71% | 0.712 | S | S | * | * | trans | 71.3 | 131.2 | 143.4 | -78.3 | 56.3 | 0 | 0 | 0 | 123.7 | ||||
| 2426 | N | 21.9 | Very low | 24.3 | Very low | 117 Ų | 117 | 130.8 Ų | 130.8 | 63% | 0.626 | 71% | 0.714 | S | S | * | * | trans | 95.8 | 122 | 135.8 | -81.9 | 59.5 | 0 | 0 | 0 | 122.4 | ||||
| 2427 | D | 22.9 | Very low | 24.4 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 63% | 0.631 | 72% | 0.715 | S | S | * | * | trans | 80.3 | 105.1 | 133.7 | -55.3 | -17.2 | 0 | 0 | 0 | 122.9 | ||||
| 2428 | N | 22.1 | Very low | 24.6 | Very low | 139 Ų | 139 | 130.7 Ų | 130.7 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | 73.5 | 132 | 121.5 | -58 | -26.2 | 0 | 0 | 0 | 122.7 | |||||
| 2429 | N | 24.6 | Very low | 24.6 | Very low | 140 Ų | 140 | 131.9 Ų | 131.9 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | trans | 2.8 | 129.1 | 147.1 | -49.9 | 1 | 0 | 0 | 0 | 118.6 | ||||
| 2430 | N | 21.8 | Very low | 24.7 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 67% | 0.674 | 72% | 0.719 | S | S | * | * | 176.2 | 164.9 | 107.6 | -92 | -3.1 | 0 | 0 | 0 | 113.1 | |||||
| 2431 | N | 26.2 | Very low | 24.6 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 66% | 0.658 | 73% | 0.729 | S | S | * | * | trans | 66.9 | 81.4 | 155.5 | -65.3 | -31.8 | 0 | 0 | 0 | 119.9 | ||||
| 2432 | T | 23.7 | Very low | 24.7 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | 32.6 | 107.8 | 115.1 | 55.4 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 2433 | K | 26.4 | Very low | 24.5 | Very low | 192 Ų | 192 | 133.8 Ų | 133.8 | 84% | 0.835 | 73% | 0.732 | S | S | * | * | trans | -169.8 | 135.4 | 144.4 | -108.4 | 143.8 | -170.5 | 161.2 | 0 | 113.3 | ||||
| 2434 | R | 26.1 | Very low | 24.5 | Very low | 223 Ų | 223 | 133.5 Ų | 133.5 | 84% | 0.842 | 73% | 0.73 | S | S | * | * | trans | 68.7 | 103.4 | 153.7 | -69.7 | 178.7 | 176.5 | -172 | -4.6 | 116.3 | ||||
| 2435 | T | 22.7 | Very low | 24.6 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 77% | 0.767 | 73% | 0.726 | S | S | * | * | 92.1 | 146.5 | 69.3 | 53.4 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 2436 | P | 29.3 | Very low | 24.7 | Very low | 113 Ų | 113 | 131 Ų | 131 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | trans | -65.4 | 178 | -175.6 | 28.1 | -38.7 | 0 | 0 | 0 | 114 | ||||
| 2437 | P | 26 | Very low | 24.9 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 74% | 0.74 | 73% | 0.727 | S | S | * | * | cis | -114.5 | 174.2 | 13.9 | 10.4 | 16.9 | 0 | 0 | 0 | 114 | ||||
| 2438 | S | 26.9 | Very low | 24.9 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | 66.6 | 127.9 | 56.4 | -32.3 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 2439 | L | 24.1 | Very low | 25.2 | Very low | 169 Ų | 169 | 135.3 Ų | 135.3 | 89% | 0.885 | 74% | 0.742 | S | S | * | * | trans | 38.7 | 102.6 | 172.7 | -117.8 | 78.6 | 0 | 0 | 0 | 120 | ||||
| 2440 | A | 26 | Very low | 25 | Very low | 77 Ų | 77 | 136 Ų | 136 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | 62.7 | 155.4 | 126.7 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 2441 | L | 25.9 | Very low | 25 | Very low | 165 Ų | 165 | 136.2 Ų | 136.2 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | trans | 62.6 | 144 | 172.5 | -59.8 | 122.6 | 0 | 0 | 0 | 116.2 | ||||
| 2442 | L | 26.6 | Very low | 24.9 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 66% | 0.66 | 75% | 0.748 | S | S | * | * | trans | -170.6 | 97.9 | 141.4 | -107.5 | 161.2 | 0 | 0 | 0 | 111.1 | N2445 | L2442-N2445 VanDerWaalsContact CD2-N 3.3Š| ||
| 2443 | N | 22.2 | Very low | 24.9 | Very low | 141 Ų | 141 | 137 Ų | 137 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | S | Bend | -141.7 | 134.1 | 119.7 | -130.8 | -2.1 | 0 | 0 | 0 | 107.1 | |||
| 2444 | T | 24.6 | Very low | 24.7 | Very low | 106 Ų | 106 | 133 Ų | 133 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | S | Bend | cis | -123.2 | 128.1 | 14 | 52.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 2445 | N | 23.4 | Very low | 24.5 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 62% | 0.62 | 73% | 0.73 | S | S | * | * | trans | 53.9 | 104.6 | 144.1 | -54.9 | -26.4 | 0 | 0 | 0 | 118.6 | L2442 | L2442-N2445 VanDerWaalsContact CD2-N 3.3Š| ||
| 2446 | T | 24.6 | Very low | 24.5 | Very low | 90 Ų | 90 | 128 Ų | 128 | 55% | 0.552 | 72% | 0.724 | S | S | * | * | -5.8 | 129.9 | 118.5 | 53.3 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 2447 | N | 26.6 | Very low | 24.2 | Very low | 142 Ų | 142 | 128 Ų | 128 | 76% | 0.759 | 72% | 0.722 | S | S | * | * | 177.5 | 123.8 | 108 | -86.5 | -35.4 | 0 | 0 | 0 | 112.1 | I2449 | N2447-I2449 PolarHBondContact O-N 3.2Š| |||
| 2448 | N | 22.3 | Very low | 24 | Very low | 174 Ų | 174 | 129 Ų | 129 | 93% | 0.93 | 72% | 0.72 | S | S | * | * | trans | -77.8 | 97.1 | 158.4 | -100.4 | 4.7 | 0 | 0 | 0 | 109.1 | ||||
| 2449 | I | 28.7 | Very low | 23.8 | Very low | 149 Ų | 149 | 130 Ų | 130 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | trans | -142 | 114.5 | 152.6 | -60 | -175.5 | 0 | 0 | 0 | 107.8 | N2447 N2451 | N2447-I2449 PolarHBondContact O-N 3.2Å; I2449-N2451 PolarHBondContact O-N 2.74Å | ||
| 2450 | D | 21.6 | Very low | 23.8 | Very low | 153 Ų | 153 | 128.5 Ų | 128.5 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | trans | -64.7 | 113.7 | 160.2 | -94.7 | -51.8 | 0 | 0 | 0 | 109.3 | ||||
| 2451 | N | 22.1 | Very low | 23.6 | Very low | 131 Ų | 131 | 128.7 Ų | 128.7 | 70% | 0.701 | 71% | 0.705 | S | S | * | * | -175 | 143.5 | 116.3 | -106.9 | -83.3 | 0 | 0 | 0 | 113.5 | I2449 | I2449-N2451 PolarHBondContact O-N 2.74Š| |||
| 2452 | N | 22.8 | Very low | 23.6 | Very low | 129 Ų | 129 | 127 Ų | 127 | 69% | 0.69 | 70% | 0.696 | S | S | * | * | trans | 71.3 | 119.2 | 162.6 | -63.9 | -56.7 | 0 | 0 | 0 | 119.8 | ||||
| 2453 | N | 23.6 | Very low | 23.5 | Very low | 130 Ų | 130 | 128.8 Ų | 128.8 | 70% | 0.695 | 70% | 0.7 | S | S | * | * | trans | 80.7 | 92.3 | 132.6 | -68 | -18.2 | 0 | 0 | 0 | 120.7 | ||||
| 2454 | T | 23.4 | Very low | 23.5 | Very low | 109 Ų | 109 | 126.5 Ų | 126.5 | 67% | 0.669 | 69% | 0.692 | S | S | * | * | 60.3 | 139.7 | 115.5 | 63.4 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 2455 | N | 22.3 | Very low | 23.7 | Very low | 125 Ų | 125 | 128.7 Ų | 128.7 | 67% | 0.668 | 69% | 0.694 | S | S | * | * | trans | 73 | 111.3 | 137.4 | -71.1 | -15.1 | 0 | 0 | 0 | 119 | ||||
| 2456 | N | 22.1 | Very low | 23.9 | Very low | 118 Ų | 118 | 130 Ų | 130 | 63% | 0.631 | 70% | 0.697 | S | S | * | * | 77.2 | 108.3 | 117.7 | -62.3 | -17.6 | 0 | 0 | 0 | 119.9 | |||||
| 2457 | T | 23 | Very low | 23.9 | Very low | 113 Ų | 113 | 130.9 Ų | 130.9 | 69% | 0.693 | 70% | 0.702 | S | S | * | * | 79.6 | 147.3 | 117.3 | 67.7 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 2458 | I | 22.1 | Very low | 23.9 | Very low | 136 Ų | 136 | 132.5 Ų | 132.5 | 70% | 0.697 | 70% | 0.703 | S | S | * | * | 92 | 115.3 | 129.5 | -88.3 | 166.6 | 0 | 0 | 0 | 119.6 | |||||
| 2459 | L | 22.5 | Very low | 24.1 | Very low | 132 Ų | 132 | 130.6 Ų | 130.6 | 69% | 0.691 | 69% | 0.692 | S | S | * | * | trans | 79.4 | 129.2 | 141.5 | -96.3 | 56.1 | 0 | 0 | 0 | 122 | ||||
| 2460 | N | 24.3 | Very low | 24 | Very low | 136 Ų | 136 | 131.9 Ų | 131.9 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | trans | 80.8 | 147.3 | 131.7 | -73.1 | -10.1 | 0 | 0 | 0 | 120.5 | ||||
| 2461 | S | 22.2 | Very low | 24.1 | Very low | 81 Ų | 81 | 129.2 Ų | 129.2 | 57% | 0.566 | 68% | 0.684 | S | S | * | * | cis | -179.9 | -177.8 | -21.1 | 55.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 2462 | I | 24.9 | Very low | 24.2 | Very low | 131 Ų | 131 | 129.5 Ų | 129.5 | 67% | 0.672 | 69% | 0.685 | S | S | * | * | trans | 79.1 | 99.3 | 151 | -75 | 167.1 | 0 | 0 | 0 | 115.8 | ||||
| 2463 | Q | 23.4 | Very low | 24.3 | Very low | 162 Ų | 162 | 129.9 Ų | 129.9 | 76% | 0.757 | 69% | 0.687 | S | S | * | * | 90.3 | 148.6 | 100.8 | -73.7 | -176 | -9 | 0 | 0 | 113.7 | |||||
| 2464 | T | 24.1 | Very low | 24.4 | Very low | 93 Ų | 93 | 129.9 Ų | 129.9 | 57% | 0.571 | 69% | 0.686 | S | S | * | * | cis | -170.6 | 158.5 | -6.3 | 24.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 2465 | H | 28.2 | Very low | 24.4 | Very low | 152 Ų | 152 | 131 Ų | 131 | 70% | 0.704 | 69% | 0.688 | S | S | * | * | trans | 69.1 | 147.6 | 152.1 | -64.3 | -37.8 | 0 | 0 | 0 | 118.7 | ||||
| 2466 | Q | 26.7 | Very low | 24.5 | Very low | 145 Ų | 145 | 129.1 Ų | 129.1 | 68% | 0.678 | 69% | 0.685 | S | S | * | * | cis | -167.5 | 135.3 | -13.1 | -122.4 | 170.5 | -12.1 | 0 | 0 | 112.5 | ||||
| 2467 | T | 25.4 | Very low | 24.6 | Very low | 107 Ų | 107 | 132 Ų | 132 | 66% | 0.656 | 69% | 0.692 | S | S | * | * | trans | 57.8 | 153.8 | 146 | 50.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 2468 | F | 27.2 | Very low | 24.6 | Very low | 177 Ų | 177 | 131.1 Ų | 131.1 | 78% | 0.776 | 69% | 0.687 | S | S | * | * | cis | -151.2 | 121.9 | 2.1 | -120.7 | -52.7 | 0 | 0 | 0 | 111.6 | ||||
| 2469 | N | 26.5 | Very low | 24.6 | Very low | 134 Ų | 134 | 130.9 Ų | 130.9 | 72% | 0.717 | 69% | 0.687 | S | S | * | * | trans | 9.8 | 149 | 146.7 | -61.5 | 5.2 | 0 | 0 | 0 | 122.2 | ||||
| 2470 | K | 25.4 | Very low | 24.6 | Very low | 175 Ų | 175 | 130.3 Ų | 130.3 | 76% | 0.761 | 68% | 0.684 | S | S | * | * | cis | -173.7 | 144.2 | -20.3 | -135.6 | -163.2 | -178.7 | -151.8 | 0 | 109.3 | ||||
| 2471 | P | 24.7 | Very low | 24.6 | Very low | 98 Ų | 98 | 129.6 Ų | 129.6 | 64% | 0.636 | 69% | 0.685 | S | S | * | * | trans | -115.4 | 171 | 147.1 | 37.6 | -29.4 | 0 | 0 | 0 | 112.1 | ||||
| 2472 | D | 24.5 | Very low | 24.6 | Very low | 136 Ų | 136 | 131.8 Ų | 131.8 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | trans | 29.2 | 137.1 | 148 | -44.2 | -24.1 | 0 | 0 | 0 | 122.3 | ||||
| 2473 | N | 24.8 | Very low | 24.5 | Very low | 137 Ų | 137 | 131.7 Ų | 131.7 | 73% | 0.733 | 69% | 0.692 | S | S | * | * | trans | 65.7 | 168.1 | 145.8 | -65.6 | 0.6 | 0 | 0 | 0 | 117.8 | ||||
| 2474 | L | 25.8 | Very low | 24.4 | Very low | 130 Ų | 130 | 128 Ų | 128 | 68% | 0.681 | 68% | 0.677 | S | S | * | * | cis | -145.3 | 170 | -2.6 | -152.8 | 73.9 | 0 | 0 | 0 | 108.9 | ||||
| 2475 | D | 23.2 | Very low | 24.4 | Very low | 132 Ų | 132 | 126 Ų | 126 | 71% | 0.706 | 67% | 0.665 | S | S | * | * | trans | 10.6 | 153.8 | 135.2 | -63.3 | -1.4 | 0 | 0 | 0 | 120.9 | ||||
| 2476 | S | 23.3 | Very low | 24.2 | Very low | 86 Ų | 86 | 122.5 Ų | 122.5 | 60% | 0.601 | 65% | 0.651 | S | S | * | * | cis | -172.3 | -133.4 | -6.1 | 53.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 2477 | F | 24.5 | Very low | 24 | Very low | 180 Ų | 180 | 119.8 Ų | 119.8 | 79% | 0.789 | 65% | 0.648 | S | S | * | * | trans | 73.9 | 131.2 | 173.7 | -65.6 | -96.6 | 0 | 0 | 0 | 118.1 | ||||
| 2478 | T | 23.5 | Very low | 23.8 | Very low | 94 Ų | 94 | 120.7 Ų | 120.7 | 58% | 0.577 | 65% | 0.649 | S | S | * | * | cis | 173.1 | 156.9 | -24.7 | 28.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 2479 | N | 21.8 | Very low | 23.6 | Very low | 130 Ų | 130 | 119 Ų | 119 | 70% | 0.695 | 65% | 0.648 | S | S | * | * | trans | 65.4 | 154.1 | 151.2 | -63.4 | 6.6 | 0 | 0 | 0 | 117.1 | ||||
| 2480 | N | 21.5 | Very low | 23.4 | Very low | 120 Ų | 120 | 118 Ų | 118 | 64% | 0.642 | 65% | 0.647 | S | S | * | * | cis | -155.5 | 171.2 | -17.4 | -101.5 | -2.4 | 0 | 0 | 0 | 104.9 | ||||
| 2481 | T | 25.3 | Very low | 23.4 | Very low | 122 Ų | 122 | 119.3 Ų | 119.3 | 75% | 0.748 | 65% | 0.652 | S | S | * | * | cis | -153 | 145.8 | 38.9 | 45.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 2482 | N | 22 | Very low | 23.3 | Very low | 126 Ų | 126 | 119.5 Ų | 119.5 | 67% | 0.674 | 65% | 0.652 | S | S | * | * | trans | 4.8 | 126.4 | 139.1 | -36.5 | 10.1 | 0 | 0 | 0 | 117.6 | ||||
| 2483 | N | 22.1 | Very low | 23.2 | Very low | 130 Ų | 130 | 121.2 Ų | 121.2 | 70% | 0.695 | 66% | 0.655 | S | S | * | * | 175.1 | 144 | 96.1 | -100.8 | 4.7 | 0 | 0 | 0 | 110.4 | |||||
| 2484 | N | 23.1 | Very low | 23.2 | Very low | 84 Ų | 84 | 121.8 Ų | 121.8 | 45% | 0.449 | 66% | 0.657 | S | S | . | * | trans | 68.2 | 140.1 | 155.3 | -55.6 | -7.9 | 0 | 0 | 0 | 116.1 | G404 I409 | G404-N2484 WeakPolarHBondContact CA-ND2 3.44Å; I409-N2484 WeakPolarHBondContact CD1-OD1 3.48Å | ||
| 2485 | T | 23.9 | Very low | 23 | Very low | 51 Ų | 51 | 121.1 Ų | 121.1 | 31% | 0.313 | 65% | 0.654 | S | S | . | * | cis | -162.5 | 149.6 | 5 | 10 | 0 | 0 | 0 | 0 | 112.3 | E408 I409 | E408-T2485 HydrophobicContact CG-CG2 3.56Å; E408-T2485 WeakPolarHBondContact OE1-CB 3.37Å; E408-T2485 WeakPolarHBondContact OE1-CG2 3.26Å; E408-T2485 PolarHBondContact OE1-OG1 2.67Å; E408-T2485 WeakPolarHBondContact OE2-CG2 3.23Å; I409-T2485 HydrophobicContact CB-CG2 4.38Å; I409-T2485 HydrophobicContact CD1-CG2 3.52Å; I409-T2485 HydrophobicContact CG1-CG2 3.63Å | ||
| 2486 | N | 22.4 | Very low | 22.9 | Very low | 79 Ų | 79 | 122.5 Ų | 122.5 | 42% | 0.422 | 65% | 0.654 | S | S | . | * | trans | 53.9 | 155.7 | 145.9 | -85.6 | 48.3 | 0 | 0 | 0 | 126.5 | E408 I409 | E408-N2486 VanDerWaalsContact C-ND2 3.27Å; E408-N2486 HydrophobicContact CB-CB 4.17Å; E408-N2486 WeakPolarHBondContact CB-ND2 3.34Å; E408-N2486 HydrophobicContact CG-CB 3.49Å; E408-N2486 VanDerWaalsContact CG-CB 3.49Å; E408-N2486 VanDerWaalsContact CG-CG 3.41Å; E408-N2486 PolarHBondContact O-ND2 2.95Å; E408-N2486 PolarHBondContact O-OD1 2.96Å; I409-N2486 VanDerWaalsContact CG1-OD1 3.3Å; I409-N2486 WeakPolarHBondContact CG1-OD1 3.19Å | ||
| 2487 | S | 22.8 | Very low | 22.9 | Very low | 88 Ų | 88 | 125 Ų | 125 | 62% | 0.615 | 66% | 0.66 | S | S | * | * | trans | 66.8 | 90.6 | 143 | 59.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 2488 | N | 22 | Very low | 22.8 | Very low | 126 Ų | 126 | 121 Ų | 121 | 67% | 0.674 | 65% | 0.654 | S | S | * | * | 55.8 | 124.2 | 103.6 | -67.5 | 58.7 | 0 | 0 | 0 | 119.3 | V2490 | N2488-V2490 PolarHBondContact O-N 2.78Š| |||
| 2489 | D | 22.3 | Very low | 22.8 | Very low | 142 Ų | 142 | 124 Ų | 124 | 76% | 0.759 | 67% | 0.666 | S | S | * | * | 60.8 | 58.2 | 120.9 | -41.6 | -22.5 | 0 | 0 | 0 | 117 | |||||
| 2490 | V | 23.7 | Very low | 23.1 | Very low | 113 Ų | 113 | 124.3 Ų | 124.3 | 69% | 0.685 | 67% | 0.667 | S | S | * | * | trans | -118.1 | 105.3 | 148.1 | -164.7 | 0 | 0 | 0 | 0 | 109.2 | N2488 V2492 | N2488-V2490 PolarHBondContact O-N 2.78Å; V2490-V2492 HydrophobicContact CB-CG2 3.85Å; V2490-V2492 HydrophobicContact CG1-CB 4.45Å; V2490-V2492 HydrophobicContact CG1-CG2 3.52Å; V2490-V2492 PolarHBondContact O-N 3.17Å | ||
| 2491 | K | 24.1 | Very low | 23.2 | Very low | 202 Ų | 202 | 126.9 Ų | 126.9 | 88% | 0.878 | 67% | 0.673 | S | S | * | * | trans | -58.5 | 89.1 | 150 | -82.3 | 178.5 | 174.9 | 170.9 | 0 | 106.8 | E2493 | K2491-E2493 PolarHBondContact O-N 3.03Š| ||
| 2492 | V | 23.1 | Very low | 23.2 | Very low | 102 Ų | 102 | 124.8 Ų | 124.8 | 62% | 0.618 | 66% | 0.659 | S | S | * | * | trans | -75.8 | 75.4 | 176 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | V2490 L2494 | V2490-V2492 HydrophobicContact CB-CG2 3.85Å; V2490-V2492 HydrophobicContact CG1-CB 4.45Å; V2490-V2492 HydrophobicContact CG1-CG2 3.52Å; V2490-V2492 PolarHBondContact O-N 3.17Å; V2492-L2494 VanDerWaalsContact C-N 3.26Å; V2492-L2494 HydrophobicContact CG1-CB 3.98Å; V2492-L2494 HydrophobicContact CG1-CD1 3.75Å; V2492-L2494 HydrophobicContact CG1-CG 3.86Å; V2492-L2494 PolarHBondContact O-N 2.93Å | ||
| 2493 | E | 22.1 | Very low | 23.4 | Very low | 171 Ų | 171 | 124.6 Ų | 124.6 | 80% | 0.799 | 66% | 0.658 | S | S | * | * | trans | -69 | 88.9 | 158.7 | -174.6 | 176.5 | -152.4 | 0 | 0 | 108.1 | K2491 | K2491-E2493 PolarHBondContact O-N 3.03Š| ||
| 2494 | L | 25 | Very low | 23.5 | Very low | 149 Ų | 149 | 125.4 Ų | 125.4 | 78% | 0.78 | 65% | 0.653 | S | S | * | * | trans | -113.3 | 90.5 | 169 | -89.8 | 175.8 | 0 | 0 | 0 | 111.8 | V2492 K2496 | V2492-L2494 VanDerWaalsContact C-N 3.26Å; V2492-L2494 HydrophobicContact CG1-CB 3.98Å; V2492-L2494 HydrophobicContact CG1-CD1 3.75Å; V2492-L2494 HydrophobicContact CG1-CG 3.86Å; V2492-L2494 PolarHBondContact O-N 2.93Å; L2494-K2496 PolarHBondContact O-N 3.06Å | ||
| 2495 | L | 21.7 | Very low | 23.6 | Very low | 117 Ų | 117 | 125.7 Ų | 125.7 | 61% | 0.613 | 65% | 0.654 | S | S | * | * | trans | -44.2 | 105.5 | 155.6 | -76.3 | 160.6 | 0 | 0 | 0 | 111.7 | ||||
| 2496 | K | 21.4 | Very low | 23.8 | Very low | 160 Ų | 160 | 131.5 Ų | 131.5 | 70% | 0.696 | 68% | 0.675 | S | S | * | * | -176.1 | 142.3 | 100.5 | -102.1 | 156.7 | -170.4 | 147.8 | 0 | 116.3 | L2494 | L2494-K2496 PolarHBondContact O-N 3.06Š| |||
| 2497 | D | 22.7 | Very low | 23.9 | Very low | 138 Ų | 138 | 132.4 Ų | 132.4 | 74% | 0.738 | 68% | 0.68 | S | S | * | * | trans | 34.6 | 113.8 | 133.2 | -105.5 | -52.8 | 0 | 0 | 0 | 119.9 | ||||
| 2498 | S | 22.3 | Very low | 24.1 | Very low | 96 Ų | 96 | 134.9 Ų | 134.9 | 67% | 0.671 | 69% | 0.687 | S | S | * | * | 67.5 | 130.2 | 126.1 | -68.1 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 2499 | L | 24.3 | Very low | 24.4 | Very low | 157 Ų | 157 | 137 Ų | 137 | 82% | 0.822 | 69% | 0.69 | S | S | * | * | trans | 80.1 | 122.2 | 175.7 | -51.8 | 172.4 | 0 | 0 | 0 | 114.8 | ||||
| 2500 | L | 28.3 | Very low | 24.6 | Very low | 137 Ų | 137 | 137.3 Ų | 137.3 | 72% | 0.717 | 69% | 0.69 | S | S | * | * | cis | -129.5 | 150.7 | -17.2 | -73 | 120.6 | 0 | 0 | 0 | 105.5 | ||||
| 2501 | K | 22.9 | Very low | 24.7 | Very low | 175 Ų | 175 | 136.9 Ų | 136.9 | 76% | 0.761 | 69% | 0.692 | S | S | * | * | 52.8 | 155.8 | 56.7 | -171.7 | 168.3 | -174.5 | 170.6 | 0 | 112 | |||||
| 2502 | V | 26 | Very low | 24.6 | Very low | 77 Ų | 77 | 134.3 Ų | 134.3 | 47% | 0.467 | 69% | 0.688 | S | S | . | * | trans | 72.2 | 93.4 | -166.9 | -180 | 0 | 0 | 0 | 0 | 108.8 | Y2504 | V2502-Y2504 HydrophobicContact CB-CD2 4.36Å; V2502-Y2504 HydrophobicContact CB-CE2 4.36Å; V2502-Y2504 HydrophobicContact CG1-CD2 3.28Å; V2502-Y2504 HydrophobicContact CG1-CE2 3.67Å; V2502-Y2504 HydrophobicContact CG1-CG 3.77Å; V2502-Y2504 HydrophobicContact CG2-CD2 4.29Å; V2502-Y2504 HydrophobicContact CG2-CE2 3.79Å | ||
| 2503 | D | 24.9 | Very low | 24.7 | Very low | 122 Ų | 122 | 134 Ų | 134 | 65% | 0.652 | 69% | 0.691 | S | S | * | * | 60.4 | 166.4 | 64.5 | -46.9 | -73.5 | 0 | 0 | 0 | 110.1 | |||||
| 2504 | Y | 25.6 | Very low | 24.9 | Very low | 148 Ų | 148 | 129.9 Ų | 129.9 | 58% | 0.58 | 68% | 0.677 | S | S | * | * | 178.5 | 139.2 | 65.1 | -115.6 | -16.8 | 0 | 0 | 0 | 112.6 | V2502 | V2502-Y2504 HydrophobicContact CB-CD2 4.36Å; V2502-Y2504 HydrophobicContact CB-CE2 4.36Å; V2502-Y2504 HydrophobicContact CG1-CD2 3.28Å; V2502-Y2504 HydrophobicContact CG1-CE2 3.67Å; V2502-Y2504 HydrophobicContact CG1-CG 3.77Å; V2502-Y2504 HydrophobicContact CG2-CD2 4.29Å; V2502-Y2504 HydrophobicContact CG2-CE2 3.79Å | |||
| 2505 | N | 24.6 | Very low | 25 | Very low | 90 Ų | 90 | 129.1 Ų | 129.1 | 48% | 0.481 | 67% | 0.669 | S | S | . | * | trans | 66.3 | -178.8 | 132.6 | -66.2 | -19 | 0 | 0 | 0 | 115.5 | N2507 | N2505-N2507 WeakPolarHBondContact CB-ND2 3.37Å; N2505-N2507 PolarHBondContact ND2-ND2 3.02Å | ||
| 2506 | F | 27.7 | Very low | 25.2 | Very low | 172 Ų | 172 | 126.2 Ų | 126.2 | 75% | 0.754 | 65% | 0.654 | S | S | * | * | cis | -124.6 | 129.6 | 12.2 | -87.7 | -106.3 | 0 | 0 | 0 | 112.1 | ||||
| 2507 | N | 24.7 | Very low | 25.4 | Very low | 98 Ų | 98 | 121.8 Ų | 121.8 | 52% | 0.524 | 64% | 0.638 | S | S | . | * | 64.7 | 143.2 | 67 | -76.9 | -29.7 | 0 | 0 | 0 | 114.4 | N2505 | N2505-N2507 WeakPolarHBondContact CB-ND2 3.37Å; N2505-N2507 PolarHBondContact ND2-ND2 3.02Å | |||
| 2508 | N | 26.9 | Very low | 25.5 | Very low | 141 Ų | 141 | 121.6 Ų | 121.6 | 75% | 0.754 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -169.5 | 122.3 | 156.5 | -99.2 | -63 | 0 | 0 | 0 | 105.5 | ||
| 2509 | K | 27.6 | Very low | 25.7 | Very low | 170 Ų | 170 | 124.3 Ų | 124.3 | 74% | 0.739 | 64% | 0.638 | S | S | * | * | S | Bend | cis | -157.1 | 165.6 | 10 | -78 | -169 | 169.9 | -166.6 | 0 | 108.1 | ||
| 2510 | I | 27.7 | Very low | 25.7 | Very low | 148 Ų | 148 | 123.2 Ų | 123.2 | 76% | 0.759 | 63% | 0.631 | S | S | * | * | cis | -152.4 | -178.6 | 0.7 | -124.3 | 167.4 | 0 | 0 | 0 | 110.2 | ||||
| 2511 | S | 24.9 | Very low | 25.5 | Very low | 104 Ų | 104 | 122.4 Ų | 122.4 | 73% | 0.727 | 63% | 0.632 | S | S | * | * | trans | -89.8 | 166.7 | -161.8 | 55.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 2512 | N | 22.8 | Very low | 25.9 | Very low | 148 Ų | 148 | 121.7 Ų | 121.7 | 79% | 0.791 | 64% | 0.637 | S | S | * | * | trans | -34.5 | 170.5 | 144.7 | -61.4 | -5.7 | 0 | 0 | 0 | 115.5 | ||||
| 2513 | S | 24.7 | Very low | 25.8 | Very low | 97 Ų | 97 | 123 Ų | 123 | 68% | 0.678 | 65% | 0.649 | S | S | * | * | cis | 175.5 | -177.6 | -36.8 | 60.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 2514 | T | 26.1 | Very low | 25.9 | Very low | 84 Ų | 84 | 124.1 Ų | 124.1 | 52% | 0.515 | 66% | 0.655 | S | S | . | * | cis | -170.7 | 155.4 | 18.9 | -17.7 | 0 | 0 | 0 | 0 | 112.9 | N1405 | N1405-T2514 PolarHBondContact OD1-O 3.27Š| ||
| 2515 | H | 27.6 | Very low | 26 | Very low | 133 Ų | 133 | 123.3 Ų | 123.3 | 62% | 0.616 | 66% | 0.659 | S | S | * | * | trans | 106.2 | 141.8 | 144.2 | -90 | -67.4 | 0 | 0 | 0 | 124.3 | N1405 | N1405-H2515 VanDerWaalsContact CG-O 3.31Å; N1405-H2515 PolarHBondContact ND2-O 3.49Å; N1405-H2515 PolarHBondContact OD1-N 2.75Å; N1405-H2515 PolarHBondContact OD1-O 2.97Å | ||
| 2516 | I | 25.3 | Very low | 26 | Very low | 56 Ų | 56 | 124.4 Ų | 124.4 | 29% | 0.287 | 66% | 0.663 | S | S | . | * | trans | 106.2 | 105 | 150.9 | -64.4 | 129.8 | 0 | 0 | 0 | 122.5 | N1402 Y1403 | N1402-I2516 HydrophobicContact CB-CG1 4.09Å; N1402-I2516 HydrophobicContact CB-CG2 3.82Å; N1402-I2516 WeakPolarHBondContact ND2-CG1 3.16Å; Y1403-I2516 HydrophobicContact CD1-CG2 3.9Å; Y1403-I2516 HydrophobicContact CE1-CG2 4.26Å | ||
| 2517 | N | 25.2 | Very low | 26 | Very low | 67 Ų | 67 | 117.3 Ų | 117.3 | 36% | 0.358 | 64% | 0.638 | S | S | . | * | trans | 20.1 | 157.5 | 139.5 | -64.4 | 21.6 | 0 | 0 | 0 | 124.4 | I1400 N1402 | I1400-N2517 WeakPolarHBondContact CG2-ND2 2.91Å; N1402-N2517 HydrophobicContact CB-CB 4.2Å; N1402-N2517 VanDerWaalsContact CG-CG 3.46Å; N1402-N2517 PolarHBondContact ND2-ND2 3.15Å; N1402-N2517 PolarHBondContact ND2-OD1 3.15Å; N1402-N2517 VanDerWaalsContact ND2-OD1 3.16Å; N1402-N2517 PolarHBondContact OD1-ND2 2.98Å; N1402-N2517 VanDerWaalsContact OD1-ND2 3.1Å | ||
| 2518 | H | 25.7 | Very low | 26.2 | Very low | 134 Ų | 134 | 115.2 Ų | 115.2 | 62% | 0.62 | 63% | 0.632 | S | S | * | * | cis | -167.5 | -176.1 | -9.7 | -116.5 | -33.3 | 0 | 0 | 0 | 112.1 | ||||
| 2519 | I | 27.2 | Very low | 26.2 | Very low | 153 Ų | 153 | 112.7 Ų | 112.7 | 79% | 0.785 | 62% | 0.618 | S | S | * | * | trans | 79.5 | 154.1 | 166.1 | -42.5 | -173.5 | 0 | 0 | 0 | 116.4 | ||||
| 2520 | I | 24.3 | Very low | 26.2 | Very low | 133 Ų | 133 | 111.5 Ų | 111.5 | 68% | 0.682 | 62% | 0.615 | S | S | * | * | -173.5 | 153.2 | -70.8 | -88.4 | 160.9 | 0 | 0 | 0 | 110 | |||||
| 2521 | T | 24 | Very low | 26.2 | Very low | 121 Ų | 121 | 108.1 Ų | 108.1 | 74% | 0.742 | 61% | 0.605 | S | S | * | * | trans | 102.1 | 148.3 | 169.3 | 70.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 2522 | N | 30.8 | Very low | 26.4 | Very low | 160 Ų | 160 | 111 Ų | 111 | 86% | 0.856 | 61% | 0.607 | S | S | * | * | trans | 78.3 | 146 | 169.4 | -61.2 | -34.7 | 0 | 0 | 0 | 118.8 | ||||
| 2523 | S | 24.2 | Very low | 26.3 | Very low | 104 Ų | 104 | 109.8 Ų | 109.8 | 73% | 0.727 | 61% | 0.609 | S | S | * | * | trans | -146.7 | 151.9 | -153.1 | 50.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 2524 | N | 26.8 | Very low | 26.6 | Very low | 146 Ų | 146 | 108.4 Ų | 108.4 | 78% | 0.781 | 60% | 0.599 | S | S | * | * | trans | 166.2 | 146.3 | 136.8 | -91.2 | -43.3 | 0 | 0 | 0 | 113.3 | ||||
| 2525 | I | 27 | Very low | 26.5 | Very low | 130 Ų | 130 | 109.1 Ų | 109.1 | 67% | 0.667 | 60% | 0.599 | S | S | * | * | trans | 82.1 | 96.5 | 148.3 | -71.2 | 164.5 | 0 | 0 | 0 | 119.3 | ||||
| 2526 | M | 24.1 | Very low | 26.4 | Very low | 113 Ų | 113 | 106.5 Ų | 106.5 | 56% | 0.557 | 59% | 0.587 | S | S | * | * | 107.4 | 64.6 | 125.8 | -63.9 | -176.4 | 172.3 | 0 | 0 | 123.8 | S2538 S2539 S2540 | M2526-S2538 WeakPolarHBondContact CA-O 3.26Å; M2526-S2538 PolarHBondContact N-O 2.99Å; M2526-S2539 CarbonylContact C-O 2.97Å; M2526-S2539 VanDerWaalsContact C-O 3.3Å; M2526-S2539 WeakPolarHBondContact CA-O 3.49Å; M2526-S2539 WeakPolarHBondContact CB-O 3.15Å; M2526-S2539 WeakPolarHBondContact CG-O 3.44Å; M2526-S2540 PolarHBondContact SD-OG 2.74Å | |||
| 2527 | G | 29.2 | Very low | 26.2 | Very low | 23 Ų | 23 | 112.1 Ų | 112.1 | 24% | 0.237 | 61% | 0.605 | C | S | . | * | S | Bend | trans | -121.9 | -150.1 | 135.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | W2537 S2538 S2539 | G2527-W2537 VanDerWaalsContact C-CB 3.42Å; G2527-S2538 CarbonylContact O-C 3.57Å; G2527-S2538 WeakPolarHBondContact O-CA 3.39Å; G2527-S2538 PolarHBondContact O-N 3.16Å; G2527-S2539 CarbonylContact O-C 3.6Å; G2527-S2539 WeakPolarHBondContact O-CA 3.28Å; G2527-S2539 PolarHBondContact O-N 3.33Å |
| 2528 | S | 28.1 | Very low | 26.1 | Very low | 55 Ų | 55 | 111.9 Ų | 111.9 | 39% | 0.385 | 61% | 0.608 | S | S | . | * | trans | -140.8 | 118.9 | 175.5 | 58.7 | 0 | 0 | 0 | 0 | 120.9 | H2536 | S2528-H2536 PolarHBondContact O-ND1 3.31Š| ||
| 2529 | D | 26.3 | Very low | 26.1 | Very low | 88 Ų | 88 | 108 Ų | 108 | 47% | 0.471 | 60% | 0.596 | S | S | . | * | 131 | 20.7 | 127.2 | 48.7 | -94.1 | 0 | 0 | 0 | 124.9 | H2536 W2537 S2538 | D2529-H2536 PolarHBondContact O-CD2 3.34Å; D2529-H2536 VanDerWaalsContact O-CD2 3.23Å; D2529-H2536 PolarHBondContact O-NE2 2.96Å; D2529-W2537 VanDerWaalsContact N-C 3.28Å; D2529-W2537 PolarHBondContact N-O 3.45Å; D2529-S2538 VanDerWaalsContact OD1-CA 3.31Å; D2529-S2538 WeakPolarHBondContact OD1-CA 3.01Å; D2529-S2538 WeakPolarHBondContact OD1-CB 3.43Å | |||
| 2530 | E | 28.9 | Very low | 26.1 | Very low | 144 Ų | 144 | 104.2 Ų | 104.2 | 67% | 0.673 | 58% | 0.583 | S | S | * | * | trans | 53.5 | 131.8 | 176.3 | -56.9 | -172.4 | 78.4 | 0 | 0 | 126.7 | P2534 H2536 W2537 | E2530-P2534 CarbonylContact C-O 3.54Å; E2530-H2536 PolarHBondContact O-CD2 3.03Å; E2530-W2537 PolarHBondContact N-O 3.09Å | ||
| 2531 | S | 26.4 | Very low | 26.2 | Very low | 78 Ų | 78 | 103 Ų | 103 | 55% | 0.545 | 59% | 0.586 | S | S | . | * | S | Bend | trans | 76.9 | 129.6 | 162.6 | 74.2 | 0 | 0 | 0 | 0 | 126.4 | S2533 P2534 N2535 | S2531-S2533 CarbonylContact O-C 2.82Å; S2531-P2534 CarbonylContact C-O 3.41Å; S2531-P2534 PolarHBondContact N-O 3.04Å; S2531-P2534 CarbonylContact O-C 3.3Å; S2531-N2535 WeakPolarHBondContact CA-OD1 3.48Å; S2531-N2535 PolarHBondContact N-OD1 3.41Å |
| 2532 | E | 29.5 | Very low | 26.3 | Very low | 165 Ų | 165 | 102.1 Ų | 102.1 | 77% | 0.771 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -61.3 | 125.3 | -174.4 | -75 | 149.8 | -131.3 | 0 | 0 | 117.4 | N2535 | E2532-N2535 HydrophobicContact CG-CB 4.08Å; E2532-N2535 PolarHBondContact OE1-ND2 2.99Å |
| 2533 | S | 22 | Very low | 26.1 | Very low | 121 Ų | 121 | 100.7 Ų | 100.7 | 85% | 0.846 | 58% | 0.578 | S | S | * | * | S | Bend | cis | -76.1 | 126.6 | -13.6 | 57 | 0 | 0 | 0 | 0 | 111.3 | S2531 | S2531-S2533 CarbonylContact O-C 2.82Š|
| 2534 | P | 29.2 | Very low | 26.3 | Very low | 69 Ų | 69 | 102.3 Ų | 102.3 | 45% | 0.448 | 58% | 0.577 | S | S | . | * | cis | -110.6 | 153.4 | -15.3 | 37.5 | -26.3 | 0 | 0 | 0 | 112.6 | E2530 S2531 H2536 | E2530-P2534 CarbonylContact C-O 3.54Å; S2531-P2534 CarbonylContact C-O 3.41Å; S2531-P2534 PolarHBondContact N-O 3.04Å; S2531-P2534 CarbonylContact O-C 3.3Å; P2534-H2536 VanDerWaalsContact CD-CD2 3.41Å; P2534-H2536 WeakPolarHBondContact CD-CD2 3.25Å; P2534-H2536 HydrophobicContact CG-CB 4.44Å; P2534-H2536 VanDerWaalsContact O-CB 3.29Å; P2534-H2536 WeakPolarHBondContact O-CB 3.27Å; P2534-H2536 PolarHBondContact O-CD2 2.99Å; P2534-H2536 VanDerWaalsContact O-CG 3.31Å; P2534-H2536 PolarHBondContact O-N 2.76Å | ||
| 2535 | N | 25.8 | Very low | 26 | Very low | 98 Ų | 98 | 100 Ų | 100 | 52% | 0.524 | 57% | 0.572 | S | S | . | * | trans | -68.1 | 14.5 | 170.6 | -122.1 | -34.8 | 0 | 0 | 0 | 115.5 | S2531 E2532 | S2531-N2535 WeakPolarHBondContact CA-OD1 3.48Å; S2531-N2535 PolarHBondContact N-OD1 3.41Å; E2532-N2535 HydrophobicContact CG-CB 4.08Å; E2532-N2535 PolarHBondContact OE1-ND2 2.99Å | ||
| 2536 | H | 23.7 | Very low | 26.3 | Very low | 78 Ų | 78 | 98.5 Ų | 98.5 | 36% | 0.361 | 57% | 0.571 | S | S | . | * | trans | 47.2 | -139.7 | 150.7 | -93.8 | -77.1 | 0 | 0 | 0 | 111.9 | S2528 D2529 E2530 P2534 | S2528-H2536 PolarHBondContact O-ND1 3.31Å; D2529-H2536 PolarHBondContact O-CD2 3.34Å; D2529-H2536 VanDerWaalsContact O-CD2 3.23Å; D2529-H2536 PolarHBondContact O-NE2 2.96Å; E2530-H2536 PolarHBondContact O-CD2 3.03Å; P2534-H2536 VanDerWaalsContact CD-CD2 3.41Å; P2534-H2536 WeakPolarHBondContact CD-CD2 3.25Å; P2534-H2536 HydrophobicContact CG-CB 4.44Å; P2534-H2536 VanDerWaalsContact O-CB 3.29Å; P2534-H2536 WeakPolarHBondContact O-CB 3.27Å; P2534-H2536 PolarHBondContact O-CD2 2.99Å; P2534-H2536 VanDerWaalsContact O-CG 3.31Å; P2534-H2536 PolarHBondContact O-N 2.76Å | ||
| 2537 | W | 22.1 | Very low | 26.2 | Very low | 175 Ų | 175 | 99.9 Ų | 99.9 | 66% | 0.663 | 58% | 0.581 | S | S | * | * | trans | -164 | -143.5 | 169.6 | -35.9 | -110.1 | 0 | 0 | 0 | 110 | G2527 D2529 E2530 | G2527-W2537 VanDerWaalsContact C-CB 3.42Å; D2529-W2537 VanDerWaalsContact N-C 3.28Å; D2529-W2537 PolarHBondContact N-O 3.45Å; E2530-W2537 PolarHBondContact N-O 3.09Å | ||
| 2538 | S | 23.5 | Very low | 26 | Very low | 62 Ų | 62 | 108.7 Ų | 108.7 | 43% | 0.434 | 61% | 0.607 | S | S | . | * | trans | -174.8 | 134.2 | 157.4 | 43.7 | 0 | 0 | 0 | 0 | 115.3 | M2526 G2527 D2529 | M2526-S2538 WeakPolarHBondContact CA-O 3.26Å; M2526-S2538 PolarHBondContact N-O 2.99Å; G2527-S2538 CarbonylContact O-C 3.57Å; G2527-S2538 WeakPolarHBondContact O-CA 3.39Å; G2527-S2538 PolarHBondContact O-N 3.16Å; D2529-S2538 VanDerWaalsContact OD1-CA 3.31Å; D2529-S2538 WeakPolarHBondContact OD1-CA 3.01Å; D2529-S2538 WeakPolarHBondContact OD1-CB 3.43Å | ||
| 2539 | S | 25.5 | Very low | 25.7 | Very low | 53 Ų | 53 | 111.7 Ų | 111.7 | 37% | 0.371 | 62% | 0.623 | S | S | . | * | cis | -113.9 | -167.7 | -26.2 | 61.9 | 0 | 0 | 0 | 0 | 111.5 | M2526 G2527 | M2526-S2539 CarbonylContact C-O 2.97Å; M2526-S2539 VanDerWaalsContact C-O 3.3Å; M2526-S2539 WeakPolarHBondContact CA-O 3.49Å; M2526-S2539 WeakPolarHBondContact CB-O 3.15Å; M2526-S2539 WeakPolarHBondContact CG-O 3.44Å; G2527-S2539 CarbonylContact O-C 3.6Å; G2527-S2539 WeakPolarHBondContact O-CA 3.28Å; G2527-S2539 PolarHBondContact O-N 3.33Å | ||
| 2540 | S | 26.7 | Very low | 25.6 | Very low | 73 Ų | 73 | 114.2 Ų | 114.2 | 51% | 0.51 | 64% | 0.637 | S | S | . | * | 145.5 | 150.9 | 95.1 | 68.4 | 0 | 0 | 0 | 0 | 111.7 | M2526 | M2526-S2540 PolarHBondContact SD-OG 2.74Š| |||
| 2541 | S | 26.6 | Very low | 25.2 | Very low | 106 Ų | 106 | 115 Ų | 115 | 74% | 0.741 | 64% | 0.642 | S | S | * | * | S | Bend | cis | -145.8 | 152.8 | -6.2 | 48 | 0 | 0 | 0 | 0 | 107.5 | ||
| 2542 | S | 27 | Very low | 25 | Very low | 103 Ų | 103 | 117.3 Ų | 117.3 | 72% | 0.72 | 65% | 0.649 | S | S | * | * | cis | -164 | 161.2 | 11.8 | 33.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 2543 | D | 25.8 | Very low | 24.7 | Very low | 131 Ų | 131 | 116.4 Ų | 116.4 | 70% | 0.701 | 65% | 0.649 | S | S | * | * | cis | -163.9 | 162.6 | -4.9 | -113.6 | 21.1 | 0 | 0 | 0 | 112.8 | ||||
| 2544 | L | 27.5 | Very low | 24.9 | Very low | 138 Ų | 138 | 118.2 Ų | 118.2 | 72% | 0.723 | 65% | 0.648 | S | S | * | * | trans | 52.9 | 98.1 | 143.9 | -59.3 | 168.4 | 0 | 0 | 0 | 122.2 | ||||
| 2545 | S | 21.3 | Very low | 24.7 | Very low | 96 Ų | 96 | 121 Ų | 121 | 67% | 0.671 | 66% | 0.657 | S | S | * | * | 39.5 | 167.1 | 88.9 | 90.9 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 2546 | P | 32.6 | Very low | 24.6 | Very low | 100 Ų | 100 | 122.5 Ų | 122.5 | 65% | 0.649 | 66% | 0.664 | S | S | * | * | cis | -145.4 | -176.8 | -34.8 | 34.2 | -12.7 | 0 | 0 | 0 | 116.4 | ||||
| 2547 | N | 23.2 | Very low | 24.9 | Very low | 141 Ų | 141 | 127.3 Ų | 127.3 | 75% | 0.754 | 69% | 0.687 | S | S | * | * | trans | 82.4 | 144.2 | 135.1 | -99.8 | -44.7 | 0 | 0 | 0 | 125.4 | ||||
| 2548 | R | 24.5 | Very low | 25.2 | Very low | 209 Ų | 209 | 125.5 Ų | 125.5 | 79% | 0.789 | 68% | 0.684 | S | S | * | * | trans | 74.2 | 114.9 | 143 | -79.5 | -174.2 | -177.2 | -159.9 | 1.2 | 123.9 | ||||
| 2549 | T | 21.9 | Very low | 25.4 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 72% | 0.718 | 70% | 0.698 | S | S | * | * | 50.2 | 140.8 | 128.7 | 62.1 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 2550 | N | 23.4 | Very low | 25.4 | Very low | 142 Ų | 142 | 134 Ų | 134 | 76% | 0.759 | 71% | 0.713 | S | S | * | * | trans | 76 | 119.2 | 154.1 | -79.7 | -17.7 | 0 | 0 | 0 | 120.1 | ||||
| 2551 | M | 20.9 | Very low | 25.4 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | trans | 48 | 124.9 | 133 | -66.5 | -165.7 | -179.6 | 0 | 0 | 121.3 | ||||
| 2552 | N | 22.1 | Very low | 25.2 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 68% | 0.684 | 73% | 0.732 | S | S | * | * | trans | 66.7 | 102.4 | 140.6 | -60.6 | -26.9 | 0 | 0 | 0 | 118.6 | ||||
| 2553 | N | 23.5 | Very low | 25.3 | Very low | 145 Ų | 145 | 142.4 Ų | 142.4 | 78% | 0.775 | 73% | 0.73 | S | S | * | * | 28.8 | 118.4 | 109.1 | -58.3 | -20 | 0 | 0 | 0 | 117.2 | |||||
| 2554 | I | 26.1 | Very low | 25.2 | Very low | 160 Ų | 160 | 141.1 Ų | 141.1 | 82% | 0.821 | 73% | 0.732 | S | S | * | * | 170.3 | 142.6 | 125.4 | -93.3 | 156.7 | 0 | 0 | 0 | 110.6 | |||||
| 2555 | I | 24.3 | Very low | 25 | Very low | 127 Ų | 127 | 141.8 Ų | 141.8 | 65% | 0.651 | 73% | 0.734 | S | S | * | * | cis | -172.4 | 160.6 | -24.9 | -146.8 | 179.7 | 0 | 0 | 0 | 109.9 | ||||
| 2556 | L | 23.6 | Very low | 25.2 | Very low | 129 Ų | 129 | 146.4 Ų | 146.4 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | trans | 58.8 | 139.5 | 163.1 | -60.7 | 170.1 | 0 | 0 | 0 | 117.1 | K2558 | L2556-K2558 HydrophobicContact CD2-CG 4.45Š| ||
| 2557 | Q | 31.8 | Very low | 24.8 | Very low | 179 Ų | 179 | 151 Ų | 151 | 84% | 0.836 | 74% | 0.743 | S | S | * | * | cis | -150.9 | 156.3 | 42.9 | -63.3 | 176.7 | 25.2 | 0 | 0 | 110.5 | ||||
| 2558 | K | 27.9 | Very low | 24.9 | Very low | 137 Ų | 137 | 147.2 Ų | 147.2 | 60% | 0.596 | 74% | 0.736 | S | S | * | * | cis | -164.6 | 156.8 | -13.5 | -114.6 | -176.5 | 175 | -175 | 0 | 109 | L2556 | L2556-K2558 HydrophobicContact CD2-CG 4.45Š| ||
| 2559 | F | 28.3 | Very low | 25.2 | Very low | 168 Ų | 168 | 145.4 Ų | 145.4 | 74% | 0.737 | 74% | 0.741 | S | S | * | * | trans | 75.1 | 115.7 | 174 | -53.7 | -74.3 | 0 | 0 | 0 | 117.3 | ||||
| 2560 | D | 23.9 | Very low | 25.3 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 68% | 0.679 | 73% | 0.729 | S | S | * | * | cis | -158 | 153.5 | -20.6 | -112.7 | -1.5 | 0 | 0 | 0 | 112.6 | ||||
| 2561 | E | 26.4 | Very low | 25.4 | Very low | 163 Ų | 163 | 146 Ų | 146 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | trans | 37.2 | 117 | 149.3 | -60.8 | -161.6 | 154.8 | 0 | 0 | 123.5 | ||||
| 2562 | Q | 22.8 | Very low | 25.8 | Very low | 188 Ų | 188 | 143.4 Ų | 143.4 | 88% | 0.879 | 73% | 0.725 | S | S | * | * | -60.5 | 143.1 | 124.6 | -78.4 | -170.8 | -3.2 | 0 | 0 | 108.6 | |||||
| 2563 | P | 29.6 | Very low | 25.8 | Very low | 107 Ų | 107 | 141.2 Ų | 141.2 | 70% | 0.695 | 71% | 0.713 | S | S | * | * | -157.5 | -178.3 | 81 | 42.5 | -22.8 | 0 | 0 | 0 | 117.6 | |||||
| 2564 | S | 23 | Very low | 25.9 | Very low | 104 Ų | 104 | 140.1 Ų | 140.1 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | trans | -64.3 | 147.2 | 168.2 | -19.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 2565 | I | 24.4 | Very low | 25.7 | Very low | 152 Ų | 152 | 137.2 Ų | 137.2 | 78% | 0.779 | 70% | 0.697 | S | S | * | * | trans | 87.7 | 90.7 | 150.4 | -59 | 166.2 | 0 | 0 | 0 | 118.8 | ||||
| 2566 | Y | 24.4 | Very low | 26 | Very low | 192 Ų | 192 | 136.4 Ų | 136.4 | 75% | 0.753 | 70% | 0.703 | S | S | * | * | 79.8 | 130.1 | 127.1 | -90.2 | -106.5 | 0 | 0 | 0 | 125.1 | |||||
| 2567 | R | 24.6 | Very low | 26.3 | Very low | 198 Ų | 198 | 137.4 Ų | 137.4 | 75% | 0.747 | 71% | 0.709 | S | S | * | * | trans | 73.7 | 145.6 | 147.1 | -84.4 | 168.3 | -174.3 | 176.3 | 1.8 | 120.5 | ||||
| 2568 | G | 25.1 | Very low | 25.8 | Very low | 60 Ų | 60 | 135.6 Ų | 135.6 | 62% | 0.619 | 70% | 0.704 | S | S | * | * | trans | -167 | -40.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | H2570 | G2568-H2570 PolarHBondContact O-CD2 3.41Š| ||
| 2569 | I | 30.8 | Very low | 25.8 | Very low | 172 Ų | 172 | 133.8 Ų | 133.8 | 88% | 0.882 | 71% | 0.709 | S | S | * | * | trans | -107.1 | 110.4 | 171.7 | -66.7 | -178.4 | 0 | 0 | 0 | 105.6 | ||||
| 2570 | H | 23.8 | Very low | 25.8 | Very low | 103 Ų | 103 | 130.5 Ų | 130.5 | 48% | 0.477 | 71% | 0.706 | S | S | . | * | cis | 60.8 | 94.9 | 37.1 | -80.2 | -89 | 0 | 0 | 0 | 112.7 | G2568 | G2568-H2570 PolarHBondContact O-CD2 3.41Š| ||
| 2571 | H | 26.1 | Very low | 26 | Very low | 169 Ų | 169 | 131.7 Ų | 131.7 | 78% | 0.782 | 71% | 0.711 | S | S | * | * | S | Bend | cis | -124.7 | 157.7 | 32.7 | -98.4 | -104.1 | 0 | 0 | 0 | 115.6 | ||
| 2572 | P | 29.5 | Very low | 26 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 68% | 0.675 | 71% | 0.709 | S | S | * | * | cis | -115.8 | 136.9 | -17 | 8.3 | 14.9 | 0 | 0 | 0 | 113.2 | ||||
| 2573 | L | 22.9 | Very low | 26.4 | Very low | 81 Ų | 81 | 129.3 Ų | 129.3 | 42% | 0.424 | 71% | 0.706 | S | S | . | * | trans | -75.4 | 159 | 130 | -81.2 | 165.2 | 0 | 0 | 0 | 108.2 | ||||
| 2574 | N | 24.5 | Very low | 26.3 | Very low | 122 Ų | 122 | 128.6 Ų | 128.6 | 65% | 0.652 | 70% | 0.704 | S | S | * | * | trans | 74 | 143 | 167.2 | -58.1 | -6 | 0 | 0 | 0 | 117 | ||||
| 2575 | T | 22.9 | Very low | 26.3 | Very low | 99 Ų | 99 | 132.2 Ų | 132.2 | 61% | 0.607 | 71% | 0.706 | S | S | * | * | cis | -163 | 138.8 | -17.2 | 19.4 | 0 | 0 | 0 | 0 | 110.6 | L2578 | T2575-L2578 HydrophobicContact CG2-CB 3.99Å; T2575-L2578 HydrophobicContact CG2-CD1 4.06Å; T2575-L2578 HydrophobicContact CG2-CD2 4.2Å; T2575-L2578 HydrophobicContact CG2-CG 4.3Å | ||
| 2576 | S | 29.8 | Very low | 26.3 | Very low | 111 Ų | 111 | 129.8 Ų | 129.8 | 78% | 0.776 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -135.7 | 120.5 | 134.2 | 50.8 | 0 | 0 | 0 | 0 | 107.2 | ||
| 2577 | N | 30.6 | Very low | 26.3 | Very low | 150 Ų | 150 | 129.7 Ų | 129.7 | 80% | 0.802 | 71% | 0.705 | S | S | * | * | trans | 34.5 | 101.3 | 170.5 | -56 | -5.1 | 0 | 0 | 0 | 116.7 | ||||
| 2578 | L | 21.4 | Very low | 26.3 | Very low | 140 Ų | 140 | 125.1 Ų | 125.1 | 73% | 0.733 | 70% | 0.704 | S | S | * | * | cis | 66.2 | 55.9 | 15.3 | -155.7 | 95.7 | 0 | 0 | 0 | 116.7 | T2575 | T2575-L2578 HydrophobicContact CG2-CB 3.99Å; T2575-L2578 HydrophobicContact CG2-CD1 4.06Å; T2575-L2578 HydrophobicContact CG2-CD2 4.2Å; T2575-L2578 HydrophobicContact CG2-CG 4.3Å | ||
| 2579 | S | 26.3 | Very low | 26.2 | Very low | 100 Ų | 100 | 128 Ų | 128 | 70% | 0.699 | 71% | 0.713 | S | S | * | * | trans | -166.7 | 127.4 | 155.2 | 54.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 2580 | S | 29.1 | Very low | 26.1 | Very low | 98 Ų | 98 | 127 Ų | 127 | 69% | 0.685 | 71% | 0.708 | S | S | * | * | cis | -160.1 | 158 | -1 | -66.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 2581 | I | 28.1 | Very low | 26.1 | Very low | 152 Ų | 152 | 129.3 Ų | 129.3 | 78% | 0.779 | 72% | 0.724 | S | S | * | * | trans | 67.4 | 148.8 | 155.6 | -66.5 | 158.7 | 0 | 0 | 0 | 115.1 | ||||
| 2582 | M | 26.7 | Very low | 26.2 | Very low | 145 Ų | 145 | 126.2 Ų | 126.2 | 71% | 0.714 | 72% | 0.717 | S | S | * | * | cis | -171.5 | 165.2 | -28.1 | -96.7 | -165.1 | -169.3 | 0 | 0 | 105.7 | ||||
| 2583 | L | 30.4 | Very low | 26.4 | Very low | 157 Ų | 157 | 127.4 Ų | 127.4 | 82% | 0.822 | 72% | 0.717 | S | S | * | * | trans | 62.7 | 158.2 | 150.1 | -71.9 | 158.4 | 0 | 0 | 0 | 116.8 | ||||
| 2584 | S | 27.2 | Very low | 27 | Very low | 91 Ų | 91 | 129.3 Ų | 129.3 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | cis | -141.8 | 155.5 | -25.8 | 64.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 2585 | K | 24.2 | Very low | 27.1 | Very low | 180 Ų | 180 | 133.5 Ų | 133.5 | 78% | 0.783 | 74% | 0.736 | S | S | * | * | 55.2 | 126 | 54.1 | -113.5 | -172.1 | -179 | 177.3 | 0 | 113.5 | |||||
| 2586 | C | 23.2 | Very low | 27.5 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 69% | 0.689 | 74% | 0.739 | S | S | * | * | trans | 65.8 | 144.7 | 146.7 | -61 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 2587 | K | 25.5 | Very low | 27.3 | Very low | 189 Ų | 189 | 135.3 Ų | 135.3 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | trans | 67.9 | 90.3 | 140 | -75.9 | 179.9 | 177.2 | -171.8 | 0 | 118 | ||||
| 2588 | S | 24.3 | Very low | 27.2 | Very low | 103 Ų | 103 | 137.6 Ų | 137.6 | 72% | 0.72 | 73% | 0.733 | S | S | * | * | 12.6 | 143.2 | 94.3 | -36.9 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 2589 | C | 23.3 | Very low | 27.3 | Very low | 119 Ų | 119 | 137 Ų | 137 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | 70.6 | 80.5 | 167.5 | -51.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 2590 | I | 27.3 | Very low | 27.4 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 77% | 0.774 | 73% | 0.727 | S | S | * | * | -171.1 | 114.6 | 107.4 | -87.7 | 148.4 | 0 | 0 | 0 | 104.2 | V2592 | I2590-V2592 HydrophobicContact CG2-CG2 4.4Š| |||
| 2591 | N | 24.3 | Very low | 27.3 | Very low | 153 Ų | 153 | 141.1 Ų | 141.1 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | 66.1 | 165.1 | 58.7 | -158.3 | 8.9 | 0 | 0 | 0 | 111.9 | |||||
| 2592 | V | 29 | Very low | 27.3 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 63% | 0.63 | 72% | 0.72 | S | S | * | * | trans | 80 | 92.7 | -170.5 | -170.5 | 0 | 0 | 0 | 0 | 113.4 | I2590 | I2590-V2592 HydrophobicContact CG2-CG2 4.4Š| ||
| 2593 | N | 32.3 | Very low | 27 | Very low | 129 Ų | 129 | 139.1 Ų | 139.1 | 69% | 0.69 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 81.4 | 125.1 | 154.3 | -51.3 | -10.1 | 0 | 0 | 0 | 118.8 | ||
| 2594 | N | 36.8 | Very low | 26.6 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 65% | 0.647 | 72% | 0.721 | S | S | * | * | cis | -156.5 | 135.2 | -11.6 | -106.4 | -20.2 | 0 | 0 | 0 | 111.3 | ||||
| 2595 | Y | 26.3 | Very low | 26.4 | Very low | 210 Ų | 210 | 138.3 Ų | 138.3 | 82% | 0.824 | 72% | 0.722 | S | S | * | * | trans | 33.5 | 147.5 | 139.5 | -74.7 | -108.6 | 0 | 0 | 0 | 122.1 | ||||
| 2596 | P | 31 | Very low | 26.3 | Very low | 102 Ų | 102 | 135.6 Ų | 135.6 | 66% | 0.662 | 72% | 0.715 | S | S | * | * | cis | -145.8 | 178.1 | -27.8 | 39.2 | -19.7 | 0 | 0 | 0 | 117 | ||||
| 2597 | H | 25.5 | Very low | 26.5 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 67% | 0.671 | 72% | 0.721 | S | S | * | * | trans | -32.9 | 161.2 | 153.4 | -43.4 | -80.6 | 0 | 0 | 0 | 115.8 | ||||
| 2598 | Y | 29.1 | Very low | 26.7 | Very low | 199 Ų | 199 | 137.4 Ų | 137.4 | 78% | 0.78 | 72% | 0.718 | S | S | * | * | cis | -144.3 | 151.4 | 33.6 | -88.2 | -107.6 | 0 | 0 | 0 | 110.5 | ||||
| 2599 | N | 23.5 | Very low | 26.6 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 67% | 0.674 | 72% | 0.72 | S | S | * | * | cis | 80.7 | 148.2 | 20.1 | -160.4 | 10.9 | 0 | 0 | 0 | 116.1 | ||||
| 2600 | K | 28.2 | Very low | 27 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 64% | 0.639 | 71% | 0.711 | S | S | * | * | trans | 72.7 | 154.4 | 164.4 | -104.6 | -179.8 | -179.5 | -169.9 | 0 | 114.9 | I2602 | K2600-I2602 HydrophobicContact CG-CD1 4.25Š| ||
| 2601 | I | 28.3 | Very low | 26.8 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 71% | 0.713 | 71% | 0.71 | S | S | * | * | cis | -141.4 | 118.1 | 10 | -58.5 | -175 | 0 | 0 | 0 | 106.4 | ||||
| 2602 | I | 26.3 | Very low | 27 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 61% | 0.61 | 71% | 0.706 | S | S | * | * | 60.1 | 117.2 | 84.3 | -56.2 | 161.6 | 0 | 0 | 0 | 114.9 | K2600 N2604 | K2600-I2602 HydrophobicContact CG-CD1 4.25Å; I2602-N2604 WeakPolarHBondContact CG2-O 2.98Å | |||
| 2603 | T | 21.5 | Very low | 27 | Very low | 135 Ų | 135 | 139.4 Ų | 139.4 | 83% | 0.828 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -82.4 | 130.1 | 153.5 | 20.6 | 0 | 0 | 0 | 0 | 109.9 | ||
| 2604 | N | 22.3 | Very low | 26.6 | Very low | 137 Ų | 137 | 139.2 Ų | 139.2 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | trans | 66.6 | 135.2 | 178.1 | -58 | -23.6 | 0 | 0 | 0 | 116.4 | I2602 | I2602-N2604 WeakPolarHBondContact CG2-O 2.98Š| ||
| 2605 | C | 22 | Very low | 26.2 | Very low | 95 Ų | 95 | 138.8 Ų | 138.8 | 64% | 0.642 | 71% | 0.714 | S | S | * | * | cis | -159.3 | 160.4 | 4.4 | -128 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 2606 | N | 23.4 | Very low | 26.3 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 65% | 0.652 | 71% | 0.712 | S | S | * | * | trans | 58.9 | 124.4 | 153.3 | -56.9 | -14.1 | 0 | 0 | 0 | 120.4 | ||||
| 2607 | F | 26.6 | Very low | 26 | Very low | 184 Ų | 184 | 139.8 Ų | 139.8 | 81% | 0.807 | 72% | 0.719 | S | S | * | * | 179.4 | 141.2 | 87.6 | -98.5 | -64.6 | 0 | 0 | 0 | 114.2 | |||||
| 2608 | I | 28.5 | Very low | 25.9 | Very low | 146 Ų | 146 | 138.6 Ų | 138.6 | 75% | 0.749 | 72% | 0.718 | S | S | * | * | trans | 71.9 | 102.7 | 150.8 | -59.5 | 164.2 | 0 | 0 | 0 | 119.3 | ||||
| 2609 | N | 22.9 | Very low | 25.8 | Very low | 144 Ų | 144 | 136.3 Ų | 136.3 | 77% | 0.77 | 71% | 0.712 | S | S | * | * | 42.9 | 154.8 | 108.2 | -112.7 | 16.9 | 0 | 0 | 0 | 121.6 | |||||
| 2610 | P | 31.3 | Very low | 25.7 | Very low | 94 Ų | 94 | 135.7 Ų | 135.7 | 61% | 0.61 | 71% | 0.705 | S | S | * | * | cis | -134.2 | 176.2 | -26.3 | 32.4 | -12 | 0 | 0 | 0 | 114.9 | ||||
| 2611 | N | 23.1 | Very low | 25.5 | Very low | 142 Ų | 142 | 132 Ų | 132 | 76% | 0.759 | 70% | 0.698 | S | S | * | * | trans | 11.7 | 138.9 | 149.3 | -48.3 | -10.8 | 0 | 0 | 0 | 120.9 | ||||
| 2612 | I | 28.9 | Very low | 25.2 | Very low | 145 Ų | 145 | 129.5 Ų | 129.5 | 74% | 0.744 | 68% | 0.682 | S | S | * | * | 171.3 | 135.8 | 110.1 | -90 | 162.1 | 0 | 0 | 0 | 111.6 | |||||
| 2613 | N | 29.4 | Very low | 25 | Very low | 146 Ų | 146 | 126.1 Ų | 126.1 | 78% | 0.781 | 67% | 0.665 | S | S | * | * | trans | 64.2 | 164.5 | 164.3 | -72.4 | -15.5 | 0 | 0 | 0 | 119.4 | ||||
| 2614 | N | 24.8 | Very low | 25.1 | Very low | 126 Ų | 126 | 123.8 Ų | 123.8 | 67% | 0.674 | 65% | 0.651 | S | S | * | * | cis | -175.2 | 172.3 | -39 | -157.6 | -13.9 | 0 | 0 | 0 | 107.8 | ||||
| 2615 | T | 28.1 | Very low | 25.1 | Very low | 111 Ų | 111 | 121.4 Ų | 121.4 | 68% | 0.681 | 64% | 0.638 | S | S | * | * | trans | 71.3 | 147.7 | 160.2 | 58.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 2616 | T | 28.7 | Very low | 25.2 | Very low | 125 Ų | 125 | 124.8 Ų | 124.8 | 77% | 0.767 | 64% | 0.638 | S | S | * | * | trans | 58.9 | 103.6 | 165.6 | 45.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 2617 | Y | 22.7 | Very low | 25.2 | Very low | 208 Ų | 208 | 124.2 Ų | 124.2 | 82% | 0.816 | 64% | 0.635 | S | S | * | * | 74.9 | 134.4 | 67.5 | -103.7 | -72.8 | 0 | 0 | 0 | 116.2 | |||||
| 2618 | N | 25.4 | Very low | 25.2 | Very low | 121 Ų | 121 | 121.7 Ų | 121.7 | 65% | 0.647 | 63% | 0.63 | S | S | * | * | trans | 72.5 | 119.6 | 151.9 | -83.7 | -29.1 | 0 | 0 | 0 | 119.6 | ||||
| 2619 | K | 25.3 | Very low | 25 | Very low | 150 Ų | 150 | 121 Ų | 121 | 65% | 0.652 | 62% | 0.624 | S | S | * | * | trans | 76.2 | 121.8 | 136.1 | -72 | -175.2 | 174.3 | -79 | 0 | 114 | ||||
| 2620 | E | 23 | Very low | 25.1 | Very low | 114 Ų | 114 | 122.7 Ų | 122.7 | 53% | 0.533 | 62% | 0.62 | S | S | . | * | 56.5 | 160.3 | 82.1 | -68.8 | -173.9 | 98.3 | 0 | 0 | 111.7 | K235 | K235-E2620 IonicContact NZ-OE1 3.96Å; K235-E2620 PolarHBondContact NZ-OE1 2.9Å | |||
| 2621 | S | 23.1 | Very low | 24.6 | Very low | 69 Ų | 69 | 125 Ų | 125 | 48% | 0.483 | 62% | 0.623 | S | S | . | * | trans | 82.8 | 140 | 155.8 | 91.8 | 0 | 0 | 0 | 0 | 115.7 | Y1733 | Y1733-S2621 WeakPolarHBondContact CD2-O 3.35Å; Y1733-S2621 WeakPolarHBondContact CE2-O 3.09Å | ||
| 2622 | F | 22.9 | Very low | 24.6 | Very low | 86 Ų | 86 | 125.5 Ų | 125.5 | 38% | 0.377 | 62% | 0.619 | S | S | . | * | cis | -149.5 | 109.8 | -13.4 | -141.8 | -112.5 | 0 | 0 | 0 | 110 | Y1733 | Y1733-F2622 VanDerWaalsContact CD1-C 3.45Å; Y1733-F2622 WeakPolarHBondContact CD1-O 3.42Å; Y1733-F2622 VanDerWaalsContact CE1-C 3.45Å; Y1733-F2622 WeakPolarHBondContact CE1-O 3.4Å | ||
| 2623 | L | 21.5 | Very low | 24.3 | Very low | 48 Ų | 48 | 124 Ų | 124 | 25% | 0.251 | 61% | 0.612 | S | S | . | * | 49 | 123.3 | 126 | -90.2 | 77.8 | 0 | 0 | 0 | 118.2 | K235 | K235-L2623 HydrophobicContact CB-CD2 4.41Š| |||
| 2624 | T | 22.3 | Very low | 24.1 | Very low | 87 Ų | 87 | 122.5 Ų | 122.5 | 53% | 0.534 | 60% | 0.604 | S | S | . | * | trans | 61.1 | -168.6 | 130.4 | 71.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 2625 | N | 22.6 | Very low | 24 | Very low | 86 Ų | 86 | 124 Ų | 124 | 46% | 0.46 | 60% | 0.601 | S | S | . | * | trans | 60.8 | 102.8 | 157.9 | -61.4 | -14.2 | 0 | 0 | 0 | 114.6 | ||||
| 2626 | Y | 25.8 | Very low | 23.8 | Very low | 166 Ų | 166 | 125.1 Ų | 125.1 | 65% | 0.651 | 60% | 0.603 | S | S | * | * | cis | -113.2 | 139.8 | 46.9 | -83 | -97.5 | 0 | 0 | 0 | 113 | ||||
| 2627 | N | 22.2 | Very low | 23.5 | Very low | 110 Ų | 110 | 124.8 Ų | 124.8 | 59% | 0.588 | 60% | 0.597 | S | S | * | * | 53.3 | 79.5 | 52.2 | -81.7 | -17.9 | 0 | 0 | 0 | 113.3 | |||||
| 2628 | N | 27.2 | Very low | 23.6 | Very low | 132 Ų | 132 | 120.7 Ų | 120.7 | 71% | 0.706 | 59% | 0.589 | S | S | * | * | -160.5 | 139.6 | 117.6 | -98 | 6.2 | 0 | 0 | 0 | 109.3 | |||||
| 2629 | Q | 24.2 | Very low | 23.7 | Very low | 131 Ų | 131 | 118 Ų | 118 | 61% | 0.612 | 57% | 0.574 | S | S | * | * | cis | 80.7 | 134.6 | 45.9 | -164.8 | -160.1 | 41.9 | 0 | 0 | 111.2 | ||||
| 2630 | Y | 24.2 | Very low | 23.8 | Very low | 179 Ų | 179 | 117.9 Ų | 117.9 | 70% | 0.702 | 58% | 0.576 | S | S | * | * | trans | 71.1 | 120.8 | -167.5 | -62.4 | -86.2 | 0 | 0 | 0 | 112.4 | ||||
| 2631 | H | 22.3 | Very low | 23.7 | Very low | 142 Ų | 142 | 116 Ų | 116 | 66% | 0.657 | 57% | 0.567 | S | S | * | * | cis | 67.5 | 128.9 | 49.5 | -171.9 | 36.8 | 0 | 0 | 0 | 110 | ||||
| 2632 | F | 22.2 | Very low | 23.7 | Very low | 154 Ų | 154 | 118.1 Ų | 118.1 | 68% | 0.675 | 57% | 0.569 | S | S | * | * | trans | 73.6 | 116.3 | 171 | -84.7 | -158.2 | 0 | 0 | 0 | 117.1 | ||||
| 2633 | D | 23.1 | Very low | 23.7 | Very low | 112 Ų | 112 | 117.9 Ų | 117.9 | 60% | 0.599 | 57% | 0.569 | S | S | * | * | 54.7 | 112.2 | 108.6 | -45.6 | -2.2 | 0 | 0 | 0 | 114 | |||||
| 2634 | D | 24.4 | Very low | 23.9 | Very low | 115 Ų | 115 | 121 Ų | 121 | 62% | 0.615 | 58% | 0.579 | S | S | * | * | 148 | -175.9 | 66.4 | -135.9 | -31.5 | 0 | 0 | 0 | 110.1 | |||||
| 2635 | Y | 22.4 | Very low | 23.8 | Very low | 159 Ų | 159 | 121.9 Ų | 121.9 | 62% | 0.624 | 58% | 0.576 | S | S | * | * | trans | 48.9 | 99.5 | 145.3 | -67.6 | -174 | 0 | 0 | 0 | 115.4 | ||||
| 2636 | N | 24.9 | Very low | 23.8 | Very low | 133 Ų | 133 | 122.5 Ų | 122.5 | 71% | 0.711 | 57% | 0.572 | S | S | * | * | -158.7 | 119.6 | 70.2 | -94.1 | -68.8 | 0 | 0 | 0 | 109.3 | |||||
| 2637 | N | 22.6 | Very low | 23.6 | Very low | 119 Ų | 119 | 120.8 Ų | 120.8 | 64% | 0.636 | 57% | 0.57 | S | S | * | * | 39.1 | 87.2 | 60.1 | -85.6 | -33 | 0 | 0 | 0 | 111.3 | |||||
| 2638 | N | 24.8 | Very low | 23.6 | Very low | 121 Ų | 121 | 123.2 Ų | 123.2 | 65% | 0.647 | 57% | 0.573 | S | S | * | * | -176.6 | 125 | 121.9 | -98.2 | -71.7 | 0 | 0 | 0 | 111.5 | |||||
| 2639 | N | 26.2 | Very low | 23.4 | Very low | 64 Ų | 64 | 124.5 Ų | 124.5 | 34% | 0.342 | 57% | 0.574 | S | S | . | * | trans | 58.5 | 79.2 | 140.6 | -47.8 | -25.2 | 0 | 0 | 0 | 118.2 | H715 | H715-N2639 PolarHBondContact O-OD1 3.19Š| ||
| 2640 | H | 28.2 | Very low | 23.3 | Very low | 148 Ų | 148 | 122.6 Ų | 122.6 | 69% | 0.685 | 58% | 0.575 | S | S | * | * | -140.9 | 127.9 | 92.9 | -89.1 | -85.4 | 0 | 0 | 0 | 106.5 | |||||
| 2641 | Q | 21.6 | Very low | 23.2 | Very low | 74 Ų | 74 | 119.4 Ų | 119.4 | 35% | 0.346 | 57% | 0.574 | S | S | . | * | cis | 60.1 | 111.5 | 14.6 | -110.8 | -149.1 | 9.7 | 0 | 0 | 116.5 | H715 | H715-Q2641 PolarHBondContact O-NE2 3.47Å; H715-Q2641 PolarHBondContact O-OE1 2.9Å | ||
| 2642 | Q | 22.5 | Very low | 23.2 | Very low | 115 Ų | 115 | 119.6 Ų | 119.6 | 54% | 0.537 | 58% | 0.58 | S | S | . | * | trans | 70.5 | 129.1 | 151.4 | -61.6 | 177.4 | 0.4 | 0 | 0 | 118.7 | ||||
| 2643 | Q | 22.6 | Very low | 23.3 | Very low | 81 Ų | 81 | 122.6 Ų | 122.6 | 38% | 0.379 | 59% | 0.587 | S | S | . | * | trans | 64.3 | 118.6 | 146 | -60.1 | 157.8 | -7.4 | 0 | 0 | 114.9 | Q724 | Q724-Q2643 VanDerWaalsContact CD-NE2 3.28Å; Q724-Q2643 HydrophobicContact CG-CG 4.47Å | ||
| 2644 | Y | 25.4 | Very low | 23.4 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 45% | 0.447 | 60% | 0.596 | S | S | . | * | cis | -141.4 | 154 | 47.5 | -64.8 | -72.3 | 0 | 0 | 0 | 110.9 | P722 | P722-Y2644 VanDerWaalsContact CA-CZ 3.49Å; P722-Y2644 WeakPolarHBondContact CA-OH 3.31Å; P722-Y2644 HydrophobicContact CB-CE1 3.8Å | ||
| 2645 | Q | 20.6 | Very low | 23.4 | Very low | 104 Ų | 104 | 128 Ų | 128 | 49% | 0.486 | 62% | 0.624 | S | S | . | * | cis | 60.5 | 69.7 | 13.4 | -161.3 | -171.2 | 18.4 | 0 | 0 | 116.3 | ||||
| 2646 | R | 22.6 | Very low | 23.4 | Very low | 99 Ų | 99 | 126.4 Ų | 126.4 | 37% | 0.374 | 62% | 0.624 | S | S | . | * | trans | -160 | 139.1 | 140.9 | -78.1 | -130.7 | -142.6 | -127.9 | 14.7 | 106.7 | P722 E723 Y2648 | P722-R2646 VanDerWaalsContact C-NH2 3.33Å; P722-R2646 PolarHBondContact O-NH2 2.7Å; E723-R2646 WeakPolarHBondContact O-CD 3.15Å; E723-R2646 WeakPolarHBondContact O-CG 3.21Å; E723-R2646 PolarHBondContact O-NE 3.44Å; E723-R2646 VanDerWaalsContact O-NE 3.12Å; E723-R2646 PolarHBondContact O-NH1 3.26Å; E723-R2646 VanDerWaalsContact O-NH1 3.17Å; E723-R2646 IonicContact OE2-CZ 3.69Å; E723-R2646 VanDerWaalsContact OE2-CZ 3.27Å; E723-R2646 IonicContact OE2-NH1 2.68Å; E723-R2646 PolarHBondContact OE2-NH1 2.89Å; E723-R2646 IonicContact OE2-NH2 3.11Å; E723-R2646 PolarHBondContact OE2-NH2 3.46Å; R2646-Y2648 VanDerWaalsContact CD-CE2 3.47Å | ||
| 2647 | Q | 21.7 | Very low | 23.3 | Very low | 130 Ų | 130 | 126.1 Ų | 126.1 | 61% | 0.607 | 62% | 0.619 | S | S | * | * | 65.3 | 152.3 | 54.2 | -70.8 | -174.1 | -27.1 | 0 | 0 | 114.6 | |||||
| 2648 | Y | 22.3 | Very low | 23.4 | Very low | 162 Ų | 162 | 126.4 Ų | 126.4 | 64% | 0.635 | 62% | 0.618 | S | S | * | * | trans | 85 | 96.9 | -179.6 | -60.1 | -77.8 | 0 | 0 | 0 | 114.5 | R2646 | R2646-Y2648 VanDerWaalsContact CD-CE2 3.47Š| ||
| 2649 | H | 22.8 | Very low | 23.3 | Very low | 158 Ų | 158 | 126.8 Ų | 126.8 | 73% | 0.731 | 62% | 0.616 | S | S | * | * | 81.5 | 124.2 | 71.4 | -93.2 | -85.3 | 0 | 0 | 0 | 113.1 | |||||
| 2650 | S | 21.3 | Very low | 23.1 | Very low | 92 Ų | 92 | 130.7 Ų | 130.7 | 64% | 0.643 | 63% | 0.634 | S | S | * | * | trans | 70.2 | 133.5 | 135 | 68.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 2651 | T | 23.1 | Very low | 22.8 | Very low | 111 Ų | 111 | 129.5 Ų | 129.5 | 68% | 0.681 | 63% | 0.63 | S | S | * | * | trans | 66.7 | 92 | 142.4 | 53 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 2652 | D | 22.6 | Very low | 22.8 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 78% | 0.781 | 65% | 0.65 | S | S | * | * | 57.5 | 123.9 | 107.5 | -57.6 | -45.3 | 0 | 0 | 0 | 119.3 | |||||
| 2653 | R | 24 | Very low | 22.9 | Very low | 218 Ų | 218 | 134.9 Ų | 134.9 | 82% | 0.823 | 66% | 0.659 | S | S | * | * | trans | 89.8 | 124.7 | -178.6 | -62.1 | 175.4 | 168.1 | -102.8 | -15.4 | 112.3 | ||||
| 2654 | Q | 24.1 | Very low | 22.9 | Very low | 168 Ų | 168 | 139.4 Ų | 139.4 | 79% | 0.785 | 68% | 0.682 | S | S | * | * | 59 | 133.6 | 64.1 | -61.4 | 179.2 | -16.2 | 0 | 0 | 111.6 | |||||
| 2655 | S | 24.4 | Very low | 22.7 | Very low | 171 Ų | 171 | 141.7 Ų | 141.7 | 100% | 1.196 | 70% | 0.704 | S | S | * | * | cis | -153.8 | 0 | 15.4 | 57.8 | 0 | 0 | 0 | 0 | 111.7 |
Retrieved 2,655 of 2,655 residues in 3107.1 ms
(Link to these results)