| 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 | 35.4 | Very low | 33.1 | Very low | 222 Ų | 222 | 164.1 Ų | 164.1 | 100% | 1.094 | 83% | 0.834 | S | S | * | * | 0 | 120.3 | 0 | -174.5 | 167.4 | 80.6 | 0 | 0 | 107.2 | |||||
| 2 | I | 36.3 | Very low | 33 | Very low | 142 Ų | 142 | 166.8 Ų | 166.8 | 73% | 0.728 | 84% | 0.837 | S | S | * | * | trans | 59.6 | 103.6 | 158.8 | -60.6 | 169.4 | 0 | 0 | 0 | 115.7 | ||||
| 3 | L | 29.9 | Very low | 33.1 | Very low | 146 Ų | 146 | 166 Ų | 166 | 76% | 0.764 | 84% | 0.835 | S | S | * | * | 58.5 | 130.6 | 70.4 | -81.2 | 79.1 | 0 | 0 | 0 | 112.8 | |||||
| 4 | I | 33.4 | Very low | 33 | Very low | 138 Ų | 138 | 166.1 Ų | 166.1 | 71% | 0.708 | 84% | 0.838 | S | S | * | * | cis | -143.4 | 141.9 | 11.3 | -85.8 | 124.2 | 0 | 0 | 0 | 109.9 | ||||
| 5 | P | 42.6 | Very low | 32.6 | Very low | 107 Ų | 107 | 165.1 Ų | 165.1 | 70% | 0.695 | 84% | 0.835 | S | S | * | * | trans | -100.1 | 169.6 | 159.8 | 38.6 | -32.4 | 0 | 0 | 0 | 112.4 | ||||
| 6 | R | 33.4 | Very low | 32.5 | Very low | 244 Ų | 244 | 160.9 Ų | 160.9 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | trans | 67.8 | 79.9 | 171.2 | -54.7 | 173.1 | 169.8 | 173.6 | -5.3 | 116.8 | ||||
| 7 | M | 31.1 | Very low | 32.5 | Very low | 173 Ų | 173 | 160.8 Ų | 160.8 | 85% | 0.852 | 82% | 0.822 | S | S | * | * | trans | -144 | 27.1 | 161.3 | -144.5 | -169.5 | 105.3 | 0 | 0 | 115.5 | ||||
| 8 | L | 31.6 | Very low | 32.4 | Very low | 170 Ų | 170 | 160.9 Ų | 160.9 | 89% | 0.89 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -132.4 | 8.7 | -175.7 | -102.1 | 159 | 0 | 0 | 0 | 114.9 | ||
| 9 | L | 30.9 | Very low | 32.2 | Very low | 173 Ų | 173 | 156.1 Ų | 156.1 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -129.5 | 17.8 | -177.1 | -149.8 | 79.9 | 0 | 0 | 0 | 114 | ||
| 10 | V | 31.1 | Very low | 32.2 | Very low | 120 Ų | 120 | 153.9 Ų | 153.9 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -122.5 | -19.8 | -178.6 | -178.3 | 0 | 0 | 0 | 0 | 112.2 | F12 | V10-F12 PolarHBondContact O-N 3.04Š|
| 11 | L | 28.7 | Very low | 32.4 | Very low | 170 Ų | 170 | 148.4 Ų | 148.4 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 27.4 | -174.4 | -146.5 | 78.9 | 0 | 0 | 0 | 114.6 | ||
| 12 | F | 31.8 | Very low | 32.7 | Very low | 197 Ų | 197 | 146.1 Ų | 146.1 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.1 | 9.8 | -179.2 | -107.7 | -75.6 | 0 | 0 | 0 | 114 | V10 | V10-F12 PolarHBondContact O-N 3.04Š|
| 13 | L | 33.4 | Very low | 33.2 | Very low | 156 Ų | 156 | 139.9 Ų | 139.9 | 82% | 0.817 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -123.7 | 8.7 | -178 | -86.2 | 168.2 | 0 | 0 | 0 | 114.9 | ||
| 14 | L | 31.8 | Very low | 34.6 | Very low | 167 Ų | 167 | 137 Ų | 137 | 87% | 0.874 | 72% | 0.718 | S | S | * | * | trans | -134.7 | 47.8 | 176 | -74.3 | 175.8 | 0 | 0 | 0 | 112.5 | P16 | L14-P16 VanDerWaalsContact O-CD 3.29Å; L14-P16 WeakPolarHBondContact O-CD 3.33Å | ||
| 15 | L | 27.1 | Very low | 35.9 | Very low | 152 Ų | 152 | 131.4 Ų | 131.4 | 80% | 0.796 | 69% | 0.69 | S | S | * | * | trans | -87.4 | 104.9 | 151.3 | -88.7 | 166 | 0 | 0 | 0 | 107.5 | I17 | L15-I17 PolarHBondContact O-N 3.36Š| ||
| 16 | P | 31.8 | Very low | 37.3 | Very low | 97 Ų | 97 | 130 Ų | 130 | 63% | 0.63 | 68% | 0.676 | S | S | * | * | trans | -61.1 | 124.9 | 158.9 | 28 | -31.8 | 0 | 0 | 0 | 106.8 | L14 L18 | L14-P16 VanDerWaalsContact O-CD 3.29Å; L14-P16 WeakPolarHBondContact O-CD 3.33Å; P16-L18 VanDerWaalsContact C-N 3.26Å; P16-L18 PolarHBondContact O-N 2.93Å | ||
| 17 | I | 31.4 | Very low | 38.9 | Very low | 160 Ų | 160 | 119.7 Ų | 119.7 | 82% | 0.821 | 64% | 0.642 | S | S | * | * | trans | -69.7 | 93.8 | 172.2 | -60.3 | 175.8 | 0 | 0 | 0 | 106.4 | L15 S19 | L15-I17 PolarHBondContact O-N 3.36Å; I17-S19 PolarHBondContact O-N 2.97Å | ||
| 18 | L | 32 | Very low | 40.5 | Very low | 163 Ų | 163 | 115.2 Ų | 115.2 | 85% | 0.853 | 63% | 0.632 | S | S | * | * | trans | -68.7 | 71.2 | 168.4 | -89.8 | 158 | 0 | 0 | 0 | 108.8 | P16 S20 | P16-L18 VanDerWaalsContact C-N 3.26Å; P16-L18 PolarHBondContact O-N 2.93Å; L18-S20 VanDerWaalsContact C-N 3.32Å; L18-S20 PolarHBondContact O-N 3.43Å | ||
| 19 | S | 29 | Very low | 42.4 | Very low | 69 Ų | 69 | 112.1 Ų | 112.1 | 48% | 0.483 | 62% | 0.615 | S | S | . | * | trans | -61.2 | 96 | 165.2 | 171.4 | 0 | 0 | 0 | 0 | 107.6 | I17 A21 | I17-S19 PolarHBondContact O-N 2.97Å; S19-A21 PolarHBondContact O-N 2.99Å; S19-A21 VanDerWaalsContact O-N 3.14Å | ||
| 20 | S | 31.7 | Very low | 44.7 | Very low | 111 Ų | 111 | 104 Ų | 104 | 78% | 0.776 | 57% | 0.573 | S | S | * | * | trans | -47.6 | 122.8 | 171.3 | -173.6 | 0 | 0 | 0 | 0 | 109.3 | L18 K22 | L18-S20 VanDerWaalsContact C-N 3.32Å; L18-S20 PolarHBondContact O-N 3.43Å; S20-K22 PolarHBondContact O-N 3.08Å; S20-K22 VanDerWaalsContact O-N 3.17Å | ||
| 21 | A | 35.2 | Very low | 47.3 | Very low | 39 Ų | 39 | 102.2 Ų | 102.2 | 32% | 0.322 | 55% | 0.553 | S | S | . | * | trans | -75.1 | 110.3 | -159.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | S19 A23 | S19-A21 PolarHBondContact O-N 2.99Å; S19-A21 VanDerWaalsContact O-N 3.14Å; A21-A23 VanDerWaalsContact C-N 3.26Å; A21-A23 PolarHBondContact O-N 3.48Å | ||
| 22 | K | 42.9 | Very low | 50 | Low | 174 Ų | 174 | 100.3 Ų | 100.3 | 76% | 0.757 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -12.3 | 178.5 | -67.5 | -179.2 | 178.3 | 175.8 | 0 | 114.8 | S20 | S20-K22 PolarHBondContact O-N 3.08Å; S20-K22 VanDerWaalsContact O-N 3.17Å |
| 23 | A | 45.9 | Very low | 52.7 | Low | 11 Ų | 11 | 94.5 Ų | 94.5 | 9% | 0.091 | 52% | 0.517 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -14.5 | -166 | 0 | 0 | 0 | 0 | 0 | 115.2 | A21 V25 F364 Q365 | A21-A23 VanDerWaalsContact C-N 3.26Å; A21-A23 PolarHBondContact O-N 3.48Å; A23-V25 PolarHBondContact O-N 2.89Å; A23-F364 WeakPolarHBondContact CB-O 3.46Å; A23-Q365 HydrophobicContact CB-CB 4.06Å; A23-Q365 HydrophobicContact CB-CG 4.41Å |
| 24 | Q | 59.1 | Low | 55.4 | Low | 86 Ų | 86 | 88.2 Ų | 88.2 | 40% | 0.402 | 48% | 0.484 | S | S | . | . | trans | -86.2 | 110.9 | 178.9 | -173.7 | 172.9 | -0 | 0 | 0 | 109.9 | ||||
| 25 | V | 62 | Low | 58.1 | Low | 21 Ų | 21 | 80.3 Ų | 80.3 | 13% | 0.127 | 44% | 0.443 | C | S | . | . | trans | -79.4 | 139.8 | 175.1 | -175.9 | 0 | 0 | 0 | 0 | 109.5 | A23 C30 F96 W187 | A23-V25 PolarHBondContact O-N 2.89Å; V25-C30 HydrophobicContact CG1-CB 3.83Å; V25-F96 HydrophobicContact CG1-CB 4.36Å; V25-F96 HydrophobicContact CG1-CD1 3.61Å; V25-F96 HydrophobicContact CG1-CD2 4.28Å; V25-F96 HydrophobicContact CG1-CE1 3.81Å; V25-F96 HydrophobicContact CG1-CE2 4.48Å; V25-F96 HydrophobicContact CG1-CG 3.85Å; V25-F96 HydrophobicContact CG1-CZ 4.24Å; V25-W187 HydrophobicContact CB-CZ3 4.42Å; V25-W187 HydrophobicContact CG2-CE3 3.98Å; V25-W187 HydrophobicContact CG2-CZ3 3.79Å | ||
| 26 | N | 70.8 | Confident | 61.1 | Low | 76 Ų | 76 | 73 Ų | 73 | 41% | 0.406 | 41% | 0.405 | S | S | . | . | trans | -122.1 | 115.7 | 173.4 | 179.3 | -40.4 | 0 | 0 | 0 | 108.4 | A28 I29 C30 | N26-A28 PolarHBondContact O-N 2.81Å; N26-A28 VanDerWaalsContact O-N 3.14Å; N26-A28 WeakPolarHBondContact OD1-CB 3.42Å; N26-A28 PolarHBondContact OD1-N 2.86Å; N26-I29 HydrophobicContact CB-CB 4.27Å; N26-I29 HydrophobicContact CB-CD1 4.06Å; N26-I29 HydrophobicContact CB-CG1 4.15Å; N26-I29 PolarHBondContact O-N 2.72Å; N26-C30 WeakPolarHBondContact O-CB 3.32Å; N26-C30 PolarHBondContact O-N 2.84Å | ||
| 27 | P | 67.9 | Low | 63.7 | Low | 29 Ų | 29 | 71.5 Ų | 71.5 | 19% | 0.188 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -25 | -176.7 | -26.9 | 34.7 | 0 | 0 | 0 | 115.2 | I29 R31 F96 T98 P158 | P27-I29 VanDerWaalsContact C-N 3.35Å; P27-R31 VanDerWaalsContact O-CG 3.29Å; P27-R31 WeakPolarHBondContact O-CG 3.4Å; P27-F96 HydrophobicContact CB-CE1 4.33Å; P27-F96 HydrophobicContact CG-CE1 4.02Å; P27-F96 HydrophobicContact CG-CZ 4.09Å; P27-T98 HydrophobicContact CB-CG2 4.13Å; P27-P158 HydrophobicContact CB-CG 4.29Å; P27-P158 HydrophobicContact CG-CG 4.32Å |
| 28 | A | 64.1 | Low | 65.9 | Low | 78 Ų | 78 | 65.9 Ų | 65.9 | 65% | 0.645 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -18.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | N26 R31 | N26-A28 PolarHBondContact O-N 2.81Å; N26-A28 VanDerWaalsContact O-N 3.14Å; N26-A28 WeakPolarHBondContact OD1-CB 3.42Å; N26-A28 PolarHBondContact OD1-N 2.86Å; A28-R31 WeakPolarHBondContact O-CD 3.48Å |
| 29 | I | 71.7 | Confident | 68.5 | Low | 106 Ų | 106 | 60.5 Ų | 60.5 | 54% | 0.544 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | -35.2 | -179.2 | -56.1 | 178.3 | 0 | 0 | 0 | 111.3 | N26 P27 R31 | N26-I29 HydrophobicContact CB-CB 4.27Å; N26-I29 HydrophobicContact CB-CD1 4.06Å; N26-I29 HydrophobicContact CB-CG1 4.15Å; N26-I29 PolarHBondContact O-N 2.72Å; P27-I29 VanDerWaalsContact C-N 3.35Å; I29-R31 PolarHBondContact O-N 2.61Å |
| 30 | C | 79.2 | Confident | 71.3 | Confident | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.02 | 37% | 0.369 | C | S | . | . | trans | -76.2 | 59.2 | -178.5 | -175.6 | 0 | 0 | 0 | 0 | 111.8 | V25 N26 F96 T98 G184 C185 | V25-C30 HydrophobicContact CG1-CB 3.83Å; N26-C30 WeakPolarHBondContact O-CB 3.32Å; N26-C30 PolarHBondContact O-N 2.84Å; C30-F96 HydrophobicContact CB-CD1 4.43Å; C30-T98 HydrophobicContact CB-CG2 4.43Å; C30-T98 WeakPolarHBondContact O-CG2 3.5Å; C30-T98 PolarHBondContact O-OG1 3.21Å; C30-G184 CarbonylContact C-O 3.47Å; C30-G184 CarbonylContact O-C 3.19Å; C30-G184 WeakPolarHBondContact O-CA 3.16Å; C30-G184 VanDerWaalsContact SG-C 3.59Å; C30-C185 HydrophobicContact CB-CB 4.08Å; C30-C185 WeakPolarHBondContact CB-SG 3.47Å; C30-C185 WeakPolarHBondContact SG-CB 3.37Å; C30-C185 PolarHBondContact SG-N 3Å; C30-C185 CovalentContact SG-SG 2.04Å; C30-C185 PolarHBondContact SG-SG 3.47Å | ||
| 31 | R | 86.1 | Confident | 74.2 | Confident | 82 Ų | 82 | 58.9 Ų | 58.9 | 31% | 0.309 | 33% | 0.334 | S | S | . | . | trans | -128.5 | 31.7 | -170.5 | -56.4 | -179.1 | 70.5 | 86.7 | -13.6 | 113.2 | P27 A28 I29 D154 | P27-R31 VanDerWaalsContact O-CG 3.29Å; P27-R31 WeakPolarHBondContact O-CG 3.4Å; A28-R31 WeakPolarHBondContact O-CD 3.48Å; I29-R31 PolarHBondContact O-N 2.61Å; R31-D154 IonicContact CZ-OD1 2.68Å; R31-D154 IonicContact NH1-OD1 2.87Å; R31-D154 PolarHBondContact NH1-OD1 3.25Å; R31-D154 VanDerWaalsContact NH2-CG 3.33Å; R31-D154 IonicContact NH2-OD1 3.91Å; R31-D154 PolarHBondContact NH2-OD1 2.7Å; R31-D154 IonicContact NH2-OD2 2.82Å; R31-D154 PolarHBondContact NH2-OD2 2.71Å | ||
| 32 | Y | 85 | Confident | 77.1 | Confident | 129 Ų | 129 | 59.4 Ų | 59.4 | 51% | 0.506 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 140.5 | -178.8 | -52.2 | -70.6 | 0 | 0 | 0 | 110.8 | L34 Y183 G184 C185 | Y32-L34 PolarHBondContact O-N 3.41Å; Y32-Y183 CarbonylContact O-C 3.54Å; Y32-Y183 VanDerWaalsContact O-CA 3.26Å; Y32-Y183 WeakPolarHBondContact O-CA 3.32Å; Y32-G184 PolarHBondContact N-O 2.9Å; Y32-G184 PolarHBondContact O-N 2.77Å; Y32-C185 HydrophobicContact CD2-CB 4.22Å |
| 33 | P | 89.5 | Confident | 79.5 | Confident | 75 Ų | 75 | 54.8 Ų | 54.8 | 49% | 0.487 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 133.4 | 173.4 | 26.4 | -33.7 | 0 | 0 | 0 | 109.9 | E181 L182 Y183 | P33-E181 HydrophobicContact CB-CG 4.17Å; P33-L182 WeakPolarHBondContact CA-O 2.97Å; P33-Y183 HydrophobicContact CB-CD1 3.99Å; P33-Y183 HydrophobicContact CB-CE1 3.84Å |
| 34 | L | 89.7 | Confident | 81.9 | Confident | 25 Ų | 25 | 61.9 Ų | 61.9 | 13% | 0.131 | 35% | 0.349 | C | S | . | . | trans | -87 | -19.5 | -174.3 | -60.5 | -173.5 | 0 | 0 | 0 | 112.9 | Y32 L91 H95 I97 L182 | Y32-L34 PolarHBondContact O-N 3.41Å; L34-L91 HydrophobicContact CB-CD2 4.33Å; L34-L91 HydrophobicContact CD1-CD1 3.9Å; L34-L91 HydrophobicContact CD1-CD2 4.4Å; L34-H95 HydrophobicContact CD1-CB 4.09Å; L34-I97 HydrophobicContact CD1-CD1 4.49Å; L34-I97 HydrophobicContact CD1-CG1 4.17Å; L34-L182 HydrophobicContact CB-CB 4.33Å; L34-L182 HydrophobicContact CD1-CB 3.94Å; L34-L182 HydrophobicContact CG-CB 4.29Å; L34-L182 WeakPolarHBondContact CG-O 3.39Å; L34-L182 PolarHBondContact N-O 2.78Å | ||
| 35 | G | 87.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | S | Bend | trans | 132.9 | 28.4 | 156 | 0 | 0 | 0 | 0 | 0 | 117 | G39 Q40 I41 E181 | G35-G39 PolarHBondContact O-N 3.07Å; G35-Q40 PolarHBondContact O-N 3.32Å; G35-Q40 VanDerWaalsContact O-N 3.13Å; G35-I41 PolarHBondContact O-N 3.25Å; G35-E181 PolarHBondContact N-OE1 2.83Å; G35-E181 VanDerWaalsContact N-OE1 3.11Å |
| 36 | M | 91.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -56.1 | 172.8 | -67 | -65.4 | -70.3 | 0 | 0 | 110.7 | I41 I46 G61 R62 I89 V180 E181 L182 | M36-I41 HydrophobicContact CG-CD1 4.06Å; M36-I41 HydrophobicContact SD-CB 4.44Å; M36-I41 HydrophobicContact SD-CD1 3.89Å; M36-I41 HydrophobicContact SD-CG2 4.32Å; M36-I46 HydrophobicContact CE-CD1 3.65Å; M36-I46 HydrophobicContact CE-CG1 4.1Å; M36-I46 HydrophobicContact CE-CG2 4.11Å; M36-I46 HydrophobicContact SD-CD1 3.76Å; M36-I46 HydrophobicContact SD-CG1 4.04Å; M36-G61 WeakPolarHBondContact CE-O 3.24Å; M36-R62 HydrophobicContact CE-CG 4.15Å; M36-R62 WeakPolarHBondContact O-CD 3.45Å; M36-R62 VanDerWaalsContact O-CG 3.29Å; M36-R62 WeakPolarHBondContact O-CG 3.36Å; M36-R62 PolarHBondContact O-NH1 3.16Å; M36-I89 HydrophobicContact CE-CD1 3.54Å; M36-I89 HydrophobicContact CE-CG1 4Å; M36-I89 HydrophobicContact CG-CD1 4.14Å; M36-I89 HydrophobicContact SD-CD1 3.48Å; M36-I89 WeakPolarHBondContact SD-CD1 3.29Å; M36-I89 HydrophobicContact SD-CG1 3.78Å; M36-I89 HydrophobicContact SD-CG2 4.22Å; M36-V180 WeakPolarHBondContact CB-O 3.27Å; M36-V180 HydrophobicContact CE-CG2 4.02Å; M36-V180 WeakPolarHBondContact CG-O 3.23Å; M36-E181 HydrophobicContact CB-CB 4.49Å; M36-E181 WeakPolarHBondContact CB-OE1 3.42Å; M36-E181 PolarHBondContact N-OE1 3.04Å; M36-E181 PolarHBondContact N-OE2 2.88Å; M36-L182 HydrophobicContact CG-CD1 4.24Å |
| 37 | S | 85.9 | Confident | 86.6 | Confident | 64 Ų | 64 | 57.1 Ų | 57.1 | 45% | 0.448 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -39.7 | 178 | 57.8 | 0 | 0 | 0 | 0 | 112.5 | G39 L63 E181 | S37-G39 VanDerWaalsContact C-N 3.32Å; S37-G39 PolarHBondContact O-N 2.64Å; S37-L63 VanDerWaalsContact CB-O 3.3Å; S37-L63 WeakPolarHBondContact CB-O 3.35Å; S37-E181 WeakPolarHBondContact CB-OE2 3.07Å; S37-E181 PolarHBondContact N-OE2 3.26Å; S37-E181 PolarHBondContact OG-OE2 3.23Å |
| 38 | G | 77.5 | Confident | 88 | Confident | 43 Ų | 43 | 57.2 Ų | 57.2 | 44% | 0.443 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q40 | G38-Q40 VanDerWaalsContact C-N 3.34Å; G38-Q40 VanDerWaalsContact O-CD 3.31Å; G38-Q40 PolarHBondContact O-N 2.88Å; G38-Q40 PolarHBondContact O-NE2 2.97Å; G38-Q40 PolarHBondContact O-OE1 3.31Å |
| 39 | G | 85.5 | Confident | 89.5 | Confident | 49 Ų | 49 | 55.6 Ų | 55.6 | 51% | 0.505 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | 15 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | G35 S37 | G35-G39 PolarHBondContact O-N 3.07Å; S37-G39 VanDerWaalsContact C-N 3.32Å; S37-G39 PolarHBondContact O-N 2.64Å |
| 40 | Q | 89.3 | Confident | 90.6 | Very high | 137 Ų | 137 | 51.4 Ų | 51.4 | 64% | 0.64 | 30% | 0.295 | S | S | * | . | trans | -75.2 | -30.1 | 175.6 | -63.4 | 71.4 | 28.6 | 0 | 0 | 112.1 | G35 G38 | G35-Q40 PolarHBondContact O-N 3.32Å; G35-Q40 VanDerWaalsContact O-N 3.13Å; G38-Q40 VanDerWaalsContact C-N 3.34Å; G38-Q40 VanDerWaalsContact O-CD 3.31Å; G38-Q40 PolarHBondContact O-N 2.88Å; G38-Q40 PolarHBondContact O-NE2 2.97Å; G38-Q40 PolarHBondContact O-OE1 3.31Å | ||
| 41 | I | 92.5 | Very high | 91.4 | Very high | 10 Ų | 10 | 55 Ų | 55 | 5% | 0.051 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -83.8 | 117 | 169.2 | -59.1 | 170.9 | 0 | 0 | 0 | 106.8 | G35 M36 D45 I46 R62 I89 L91 | G35-I41 PolarHBondContact O-N 3.25Å; M36-I41 HydrophobicContact CG-CD1 4.06Å; M36-I41 HydrophobicContact SD-CB 4.44Å; M36-I41 HydrophobicContact SD-CD1 3.89Å; M36-I41 HydrophobicContact SD-CG2 4.32Å; I41-D45 HydrophobicContact CG2-CB 4Å; I41-I46 HydrophobicContact CG2-CD1 4.27Å; I41-I46 HydrophobicContact CG2-CG1 3.87Å; I41-R62 VanDerWaalsContact O-CZ 3.28Å; I41-R62 PolarHBondContact O-NH1 2.86Å; I41-R62 PolarHBondContact O-NH2 2.91Å; I41-I89 HydrophobicContact CD1-CG2 3.95Å; I41-I89 HydrophobicContact CG2-CG2 4.25Å; I41-L91 HydrophobicContact CD1-CD2 3.66Å; I41-L91 HydrophobicContact CG1-CD2 4.38Å |
| 42 | P | 94.6 | Very high | 91.7 | Very high | 49 Ų | 49 | 58.3 Ų | 58.3 | 32% | 0.318 | 32% | 0.324 | S | S | . | . | trans | -75.9 | 163.2 | -178.7 | 34 | -37.3 | 0 | 0 | 0 | 112.1 | E44 D45 | P42-E44 HydrophobicContact CB-CG 4.21Å; P42-E44 HydrophobicContact CG-CG 3.96Å; P42-E44 PolarHBondContact O-N 2.91Å; P42-D45 WeakPolarHBondContact CD-OD2 3.39Å; P42-D45 HydrophobicContact CG-CB 4.35Å; P42-D45 WeakPolarHBondContact CG-OD2 3.39Å; P42-D45 PolarHBondContact O-N 3.44Å; P42-D45 VanDerWaalsContact O-N 3.16Å | ||
| 43 | D | 94.4 | Very high | 92 | Very high | 77 Ų | 77 | 53.7 Ų | 53.7 | 41% | 0.412 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -59.9 | -27.4 | -177.8 | -75 | 5 | 0 | 0 | 0 | 113.6 | D45 I46 K59 R62 | D43-D45 VanDerWaalsContact C-N 3.3Å; D43-D45 PolarHBondContact O-N 3.18Å; D43-I46 PolarHBondContact O-N 2.88Å; D43-K59 HydrophobicContact CB-CB 3.95Å; D43-K59 HydrophobicContact CB-CD 4.35Å; D43-K59 WeakPolarHBondContact OD2-CD 3.12Å; D43-R62 IonicContact OD1-CZ 3.66Å; D43-R62 IonicContact OD1-NE 3.07Å; D43-R62 IonicContact OD1-NH2 3.43Å; D43-R62 PolarHBondContact OD1-NH2 2.95Å |
| 44 | E | 95.9 | Very high | 92.1 | Very high | 160 Ų | 160 | 58.2 Ų | 58.2 | 75% | 0.748 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -71.7 | -21.6 | -179.9 | 60.8 | -168.4 | 168.9 | 0 | 0 | 113.8 | P42 | P42-E44 HydrophobicContact CB-CG 4.21Å; P42-E44 HydrophobicContact CG-CG 3.96Å; P42-E44 PolarHBondContact O-N 2.91Å |
| 45 | D | 96.5 | Very high | 92.2 | Very high | 21 Ų | 21 | 58.7 Ų | 58.7 | 11% | 0.112 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -90.7 | -7.8 | 176.3 | -68.4 | -43.3 | 0 | 0 | 0 | 113.2 | I41 P42 D43 I89 D90 H92 | I41-D45 HydrophobicContact CG2-CB 4Å; P42-D45 WeakPolarHBondContact CD-OD2 3.39Å; P42-D45 HydrophobicContact CG-CB 4.35Å; P42-D45 WeakPolarHBondContact CG-OD2 3.39Å; P42-D45 PolarHBondContact O-N 3.44Å; P42-D45 VanDerWaalsContact O-N 3.16Å; D43-D45 VanDerWaalsContact C-N 3.3Å; D43-D45 PolarHBondContact O-N 3.18Å; D45-I89 WeakPolarHBondContact O-CA 3.16Å; D45-D90 HydrophobicContact CB-CB 4.22Å; D45-D90 PolarHBondContact O-N 2.65Å; D45-H92 IonicContact OD1-CD2 2.81Å; D45-H92 IonicContact OD1-CE1 3.66Å; D45-H92 IonicContact OD1-NE2 2.81Å; D45-H92 PolarHBondContact OD1-NE2 2.86Å; D45-H92 IonicContact OD2-CD2 3.22Å; D45-H92 IonicContact OD2-CE1 3.26Å; D45-H92 PolarHBondContact OD2-CE1 2.82Å; D45-H92 VanDerWaalsContact OD2-CE1 3.23Å; D45-H92 IonicContact OD2-NE2 2.69Å; D45-H92 PolarHBondContact OD2-NE2 2.69Å |
| 46 | I | 97.4 | Very high | 92.4 | Very high | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 103 | 178.5 | -50.9 | 170.4 | 0 | 0 | 0 | 108.5 | M36 I41 D43 A58 R62 L87 I89 | M36-I46 HydrophobicContact CE-CD1 3.65Å; M36-I46 HydrophobicContact CE-CG1 4.1Å; M36-I46 HydrophobicContact CE-CG2 4.11Å; M36-I46 HydrophobicContact SD-CD1 3.76Å; M36-I46 HydrophobicContact SD-CG1 4.04Å; I41-I46 HydrophobicContact CG2-CD1 4.27Å; I41-I46 HydrophobicContact CG2-CG1 3.87Å; D43-I46 PolarHBondContact O-N 2.88Å; I46-A58 HydrophobicContact CG2-CB 4.2Å; I46-A58 VanDerWaalsContact CG2-O 3.25Å; I46-A58 WeakPolarHBondContact CG2-O 3.41Å; I46-A58 WeakPolarHBondContact O-CB 3.35Å; I46-R62 HydrophobicContact CD1-CG 4.13Å; I46-R62 VanDerWaalsContact CD1-CZ 3.41Å; I46-L87 HydrophobicContact CG2-CD1 3.86Å; I46-I89 HydrophobicContact CG2-CG1 4.39Å |
| 47 | T | 97.3 | Very high | 92.6 | Very high | 56 Ų | 56 | 59.4 Ų | 59.4 | 34% | 0.344 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 161.3 | -172.7 | 43.9 | 0 | 0 | 0 | 0 | 110.7 | Q88 | T47-Q88 PolarHBondContact N-O 3.25Å; T47-Q88 WeakPolarHBondContact O-CA 3.13Å; T47-Q88 PolarHBondContact O-N 2.86Å; T47-Q88 VanDerWaalsContact O-O 3.06Å; T47-Q88 PolarHBondContact OG1-NE2 2.79Å; T47-Q88 VanDerWaalsContact OG1-NE2 3.08Å |
| 48 | A | 97.2 | Very high | 93.1 | Very high | 32 Ų | 32 | 56.8 Ų | 56.8 | 26% | 0.264 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 165.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S50 A58 W72 F86 L87 | A48-S50 WeakPolarHBondContact CB-O 3.25Å; A48-A58 HydrophobicContact CB-CB 3.74Å; A48-W72 HydrophobicContact CB-CZ2 4.05Å; A48-W72 VanDerWaalsContact CB-NE1 3.31Å; A48-F86 VanDerWaalsContact CA-O 3.23Å; A48-F86 WeakPolarHBondContact CA-O 3.49Å; A48-F86 WeakPolarHBondContact CB-O 3.15Å; A48-L87 HydrophobicContact CB-CD1 4.47Å |
| 49 | S | 95.9 | Very high | 93.9 | Very high | 43 Ų | 43 | 58 Ų | 58 | 30% | 0.301 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -60.2 | -45.7 | 168.3 | 47.8 | 0 | 0 | 0 | 0 | 112.7 | E85 F86 | S49-E85 VanDerWaalsContact CB-OE2 3.3Å; S49-E85 WeakPolarHBondContact CB-OE2 3.43Å; S49-E85 VanDerWaalsContact OG-CA 3.28Å; S49-E85 WeakPolarHBondContact OG-CA 3.37Å; S49-E85 PolarHBondContact OG-OE2 2.83Å; S49-F86 PolarHBondContact N-O 2.67Å; S49-F86 PolarHBondContact OG-N 2.88Å; S49-F86 PolarHBondContact OG-O 2.76Å |
| 50 | S | 95.4 | Very high | 94.3 | Very high | 18 Ų | 18 | 57.3 Ų | 57.3 | 13% | 0.126 | 29% | 0.294 | C | S | . | . | trans | -156.4 | 174.5 | -176.1 | 74.4 | 0 | 0 | 0 | 0 | 110.5 | A48 W72 E75 E85 | A48-S50 WeakPolarHBondContact CB-O 3.25Å; S50-W72 PolarHBondContact O-NE1 2.92Å; S50-E75 PolarHBondContact OG-N 3.22Å; S50-E85 WeakPolarHBondContact CB-OE2 3.15Å; S50-E85 PolarHBondContact OG-OE2 2.9Å | ||
| 51 | Q | 95 | Very high | 94.6 | Very high | 79 Ų | 79 | 50.8 Ų | 50.8 | 37% | 0.369 | 26% | 0.263 | S | S | . | . | trans | -150.4 | 137.9 | 172.5 | 62.8 | -173.2 | 42.5 | 0 | 0 | 110.5 | S53 A57 C73 | Q51-S53 VanDerWaalsContact C-N 3.31Å; Q51-S53 PolarHBondContact O-N 2.85Å; Q51-A57 VanDerWaalsContact OE1-CA 3.3Å; Q51-C73 WeakPolarHBondContact CA-O 3.4Å | ||
| 52 | W | 92 | Very high | 94.7 | Very high | 151 Ų | 151 | 51.6 Ų | 51.6 | 57% | 0.572 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -65.5 | -32.7 | 178.8 | -177.3 | -83.3 | 0 | 0 | 0 | 113.3 | C73 | W52-C73 HydrophobicContact CB-CB 4.37Å; W52-C73 PolarHBondContact N-O 3.32Å |
| 53 | S | 92.6 | Very high | 94.5 | Very high | 32 Ų | 32 | 49.5 Ų | 49.5 | 22% | 0.224 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -156.5 | 166.2 | -178.9 | 60.8 | 0 | 0 | 0 | 0 | 111.1 | Q51 S55 T56 A57 | Q51-S53 VanDerWaalsContact C-N 3.31Å; Q51-S53 PolarHBondContact O-N 2.85Å; S53-S55 WeakPolarHBondContact CB-OG 3Å; S53-S55 PolarHBondContact O-N 2.86Å; S53-S55 PolarHBondContact OG-N 2.05Å; S53-S55 PolarHBondContact OG-OG 3.11Å; S53-T56 PolarHBondContact N-OG1 2.94Å; S53-T56 CarbonylContact O-C 3.54Å; S53-T56 PolarHBondContact O-N 2.85Å; S53-T56 VanDerWaalsContact O-N 3.08Å; S53-T56 PolarHBondContact O-OG1 2.94Å; S53-T56 PolarHBondContact OG-N 3.33Å; S53-T56 VanDerWaalsContact OG-N 3.13Å; S53-T56 PolarHBondContact OG-OG1 2.86Å; S53-A57 PolarHBondContact O-N 2.78Å |
| 54 | E | 91.8 | Very high | 94.1 | Very high | 170 Ų | 170 | 51.5 Ų | 51.5 | 79% | 0.794 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -58.6 | -29.9 | 169.3 | -64.7 | -172.2 | 166.6 | 0 | 0 | 112.3 | T56 A57 Y60 | E54-T56 VanDerWaalsContact C-N 3.35Å; E54-A57 WeakPolarHBondContact O-CB 3.45Å; E54-Y60 WeakPolarHBondContact O-CE2 3.44Å |
| 55 | S | 91 | Very high | 93.6 | Very high | 35 Ų | 35 | 45 Ų | 45 | 25% | 0.245 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -79.2 | -9.8 | 176.7 | 52 | 0 | 0 | 0 | 0 | 114.7 | S53 Y60 D69 | S53-S55 WeakPolarHBondContact CB-OG 3Å; S53-S55 PolarHBondContact O-N 2.86Å; S53-S55 PolarHBondContact OG-N 2.05Å; S53-S55 PolarHBondContact OG-OG 3.11Å; S55-Y60 VanDerWaalsContact O-CD2 3.24Å; S55-Y60 WeakPolarHBondContact O-CD2 3.14Å; S55-D69 VanDerWaalsContact CB-CG 3.45Å; S55-D69 WeakPolarHBondContact CB-OD2 3.44Å; S55-D69 PolarHBondContact O-N 2.9Å; S55-D69 VanDerWaalsContact OG-CG 3.3Å; S55-D69 PolarHBondContact OG-OD2 3.4Å |
| 56 | T | 92.4 | Very high | 93 | Very high | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -120.3 | 22.7 | 175 | 54.6 | 0 | 0 | 0 | 0 | 112.2 | S53 E54 D69 A71 W72 C73 | S53-T56 PolarHBondContact N-OG1 2.94Å; S53-T56 CarbonylContact O-C 3.54Å; S53-T56 PolarHBondContact O-N 2.85Å; S53-T56 VanDerWaalsContact O-N 3.08Å; S53-T56 PolarHBondContact O-OG1 2.94Å; S53-T56 PolarHBondContact OG-N 3.33Å; S53-T56 VanDerWaalsContact OG-N 3.13Å; S53-T56 PolarHBondContact OG-OG1 2.86Å; E54-T56 VanDerWaalsContact C-N 3.35Å; T56-D69 HydrophobicContact CG2-CB 3.95Å; T56-A71 WeakPolarHBondContact CA-O 3.21Å; T56-W72 WeakPolarHBondContact O-CA 3.44Å; T56-C73 HydrophobicContact CG2-CB 4.21Å; T56-C73 PolarHBondContact O-N 2.9Å |
| 57 | A | 95.1 | Very high | 92.4 | Very high | 10 Ų | 10 | 54.8 Ų | 54.8 | 8% | 0.083 | 28% | 0.28 | C | S | . | . | trans | -59.3 | 156.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q51 S53 E54 K59 Y60 | Q51-A57 VanDerWaalsContact OE1-CA 3.3Å; S53-A57 PolarHBondContact O-N 2.78Å; E54-A57 WeakPolarHBondContact O-CB 3.45Å; A57-K59 VanDerWaalsContact C-N 3.27Å; A57-K59 HydrophobicContact CB-CG 4.29Å; A57-K59 PolarHBondContact O-N 2.87Å; A57-Y60 HydrophobicContact CB-CD2 4.23Å; A57-Y60 HydrophobicContact CB-CE2 4.4Å; A57-Y60 WeakPolarHBondContact O-CB 3.46Å; A57-Y60 PolarHBondContact O-N 2.67Å | ||
| 58 | A | 95.5 | Very high | 92 | Very high | 8 Ų | 8 | 54.1 Ų | 54.1 | 7% | 0.066 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -47.2 | -42.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | I46 A48 Y60 G61 L87 | I46-A58 HydrophobicContact CG2-CB 4.2Å; I46-A58 VanDerWaalsContact CG2-O 3.25Å; I46-A58 WeakPolarHBondContact CG2-O 3.41Å; I46-A58 WeakPolarHBondContact O-CB 3.35Å; A48-A58 HydrophobicContact CB-CB 3.74Å; A58-Y60 PolarHBondContact O-N 3.35Å; A58-Y60 VanDerWaalsContact O-N 3.13Å; A58-G61 WeakPolarHBondContact O-CA 3.44Å; A58-G61 PolarHBondContact O-N 3.17Å; A58-L87 HydrophobicContact CB-CD1 3.85Å |
| 59 | K | 93.9 | Very high | 91.4 | Very high | 68 Ų | 68 | 56.2 Ų | 56.2 | 30% | 0.296 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -57 | -22.3 | 176.9 | 56.6 | 164.2 | -177.9 | 161 | 0 | 115.6 | D43 A57 G61 R62 | D43-K59 HydrophobicContact CB-CB 3.95Å; D43-K59 HydrophobicContact CB-CD 4.35Å; D43-K59 WeakPolarHBondContact OD2-CD 3.12Å; A57-K59 VanDerWaalsContact C-N 3.27Å; A57-K59 HydrophobicContact CB-CG 4.29Å; A57-K59 PolarHBondContact O-N 2.87Å; K59-G61 VanDerWaalsContact C-N 3.26Å; K59-R62 WeakPolarHBondContact O-CD 3.48Å; K59-R62 WeakPolarHBondContact O-CG 3.41Å; K59-R62 PolarHBondContact O-NE 3.09Å |
| 60 | Y | 95.2 | Very high | 91 | Very high | 35 Ų | 35 | 54.1 Ų | 54.1 | 14% | 0.137 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -83.6 | -2.9 | 174.4 | -59.2 | -55.5 | 0 | 0 | 0 | 112.7 | E54 S55 A57 A58 R62 E67 A71 | E54-Y60 WeakPolarHBondContact O-CE2 3.44Å; S55-Y60 VanDerWaalsContact O-CD2 3.24Å; S55-Y60 WeakPolarHBondContact O-CD2 3.14Å; A57-Y60 HydrophobicContact CB-CD2 4.23Å; A57-Y60 HydrophobicContact CB-CE2 4.4Å; A57-Y60 WeakPolarHBondContact O-CB 3.46Å; A57-Y60 PolarHBondContact O-N 2.67Å; A58-Y60 PolarHBondContact O-N 3.35Å; A58-Y60 VanDerWaalsContact O-N 3.13Å; Y60-R62 PolarHBondContact O-N 3.42Å; Y60-R62 VanDerWaalsContact O-N 3.09Å; Y60-E67 VanDerWaalsContact CD1-C 3.41Å; Y60-E67 HydrophobicContact CD1-CB 3.66Å; Y60-E67 VanDerWaalsContact CD1-O 3.27Å; Y60-E67 WeakPolarHBondContact CD1-O 3.48Å; Y60-E67 HydrophobicContact CE1-CB 3.61Å; Y60-A71 CarbonylContact O-C 3.53Å; Y60-A71 WeakPolarHBondContact O-CA 3.43Å |
| 61 | G | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -74.5 | 22.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | M36 A58 K59 M178 R179 V180 | M36-G61 WeakPolarHBondContact CE-O 3.24Å; A58-G61 WeakPolarHBondContact O-CA 3.44Å; A58-G61 PolarHBondContact O-N 3.17Å; K59-G61 VanDerWaalsContact C-N 3.26Å; G61-M178 WeakPolarHBondContact CA-O 3.41Å; G61-R179 CarbonylContact O-C 3.55Å; G61-R179 WeakPolarHBondContact O-CA 3.4Å; G61-V180 PolarHBondContact O-N 3.25Å | ||
| 62 | R | 94.5 | Very high | 91.1 | Very high | 28 Ų | 28 | 49.5 Ų | 49.5 | 11% | 0.106 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -83.2 | 130 | 175.9 | -66.7 | 171 | -177.4 | -76.3 | 0.5 | 110.7 | M36 I41 D43 I46 K59 Y60 S65 R179 | M36-R62 HydrophobicContact CE-CG 4.15Å; M36-R62 WeakPolarHBondContact O-CD 3.45Å; M36-R62 VanDerWaalsContact O-CG 3.29Å; M36-R62 WeakPolarHBondContact O-CG 3.36Å; M36-R62 PolarHBondContact O-NH1 3.16Å; I41-R62 VanDerWaalsContact O-CZ 3.28Å; I41-R62 PolarHBondContact O-NH1 2.86Å; I41-R62 PolarHBondContact O-NH2 2.91Å; D43-R62 IonicContact OD1-CZ 3.66Å; D43-R62 IonicContact OD1-NE 3.07Å; D43-R62 IonicContact OD1-NH2 3.43Å; D43-R62 PolarHBondContact OD1-NH2 2.95Å; I46-R62 HydrophobicContact CD1-CG 4.13Å; I46-R62 VanDerWaalsContact CD1-CZ 3.41Å; K59-R62 WeakPolarHBondContact O-CD 3.48Å; K59-R62 WeakPolarHBondContact O-CG 3.41Å; K59-R62 PolarHBondContact O-NE 3.09Å; Y60-R62 PolarHBondContact O-N 3.42Å; Y60-R62 VanDerWaalsContact O-N 3.09Å; R62-S65 WeakPolarHBondContact O-CB 3.49Å; R62-S65 PolarHBondContact O-N 2.92Å; R62-R179 WeakPolarHBondContact O-CB 3.29Å; R62-R179 VanDerWaalsContact O-CD 3.3Å; R62-R179 WeakPolarHBondContact O-CD 3.48Å; R62-R179 WeakPolarHBondContact O-CG 3.27Å |
| 63 | L | 90.7 | Very high | 91.3 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 140.1 | 172.4 | -157.8 | 77.8 | 0 | 0 | 0 | 111.4 | S37 S65 Q103 I150 V180 E181 | S37-L63 VanDerWaalsContact CB-O 3.3Å; S37-L63 WeakPolarHBondContact CB-O 3.35Å; L63-S65 PolarHBondContact O-N 3.13Å; L63-S65 VanDerWaalsContact O-N 3.08Å; L63-Q103 HydrophobicContact CD1-CB 3.58Å; L63-I150 HydrophobicContact CD1-CG1 4.25Å; L63-I150 HydrophobicContact CD1-CG2 4.26Å; L63-I150 HydrophobicContact CD2-CD1 4.05Å; L63-I150 HydrophobicContact CD2-CG1 4.33Å; L63-I150 HydrophobicContact CD2-CG2 3.88Å; L63-I150 HydrophobicContact CG-CD1 4.23Å; L63-I150 HydrophobicContact CG-CG1 4.28Å; L63-V180 PolarHBondContact N-O 3.15Å; L63-E181 HydrophobicContact CB-CB 3.8Å; L63-E181 HydrophobicContact CD2-CB 3.65Å; L63-E181 HydrophobicContact CD2-CG 4.5Å; L63-E181 HydrophobicContact CG-CB 4.28Å |
| 64 | D | 86.4 | Confident | 91.4 | Very high | 119 Ų | 119 | 41.5 Ų | 41.5 | 64% | 0.636 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 10.4 | 177.2 | -141 | 36.1 | 0 | 0 | 0 | 115.7 | ||
| 65 | S | 85.7 | Confident | 91.5 | Very high | 23 Ų | 23 | 39.2 Ų | 39.2 | 16% | 0.161 | 21% | 0.209 | C | C | . | . | trans | -90.2 | 138.9 | 171.2 | -173.4 | 0 | 0 | 0 | 0 | 111.5 | R62 L63 E67 R179 | R62-S65 WeakPolarHBondContact O-CB 3.49Å; R62-S65 PolarHBondContact O-N 2.92Å; L63-S65 PolarHBondContact O-N 3.13Å; L63-S65 VanDerWaalsContact O-N 3.08Å; S65-E67 PolarHBondContact OG-N 2.88Å; S65-R179 WeakPolarHBondContact O-CD 3.39Å; S65-R179 PolarHBondContact O-NH1 3.06Å | ||
| 66 | E | 84.3 | Confident | 91.5 | Very high | 104 Ų | 104 | 42.7 Ų | 42.7 | 49% | 0.486 | 22% | 0.223 | S | C | . | . | trans | -110.4 | 19.7 | 167.9 | -64.9 | -149.1 | 113.2 | 0 | 0 | 112.6 | H106 A107 G108 | E66-H106 IonicContact OE1-CD2 2.71Å; E66-H106 PolarHBondContact OE1-CD2 2.94Å; E66-H106 IonicContact OE1-CG 2.67Å; E66-A107 PolarHBondContact OE1-N 2.93Å; E66-G108 PolarHBondContact OE1-N 2.96Å | ||
| 67 | E | 84.8 | Confident | 91.3 | Very high | 129 Ų | 129 | 44.7 Ų | 44.7 | 60% | 0.603 | 24% | 0.236 | S | C | * | . | trans | -71.4 | 154 | 176.1 | -64.2 | -169.6 | -164.4 | 0 | 0 | 112.6 | Y60 S65 G70 | Y60-E67 VanDerWaalsContact CD1-C 3.41Å; Y60-E67 HydrophobicContact CD1-CB 3.66Å; Y60-E67 VanDerWaalsContact CD1-O 3.27Å; Y60-E67 WeakPolarHBondContact CD1-O 3.48Å; Y60-E67 HydrophobicContact CE1-CB 3.61Å; S65-E67 PolarHBondContact OG-N 2.88Å; E67-G70 PolarHBondContact O-N 2.92Å; E67-G70 VanDerWaalsContact O-N 3.15Å | ||
| 68 | G | 87.5 | Confident | 91.1 | Very high | 41 Ų | 41 | 44.5 Ų | 44.5 | 42% | 0.423 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | -137.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 69 | D | 86.6 | Confident | 90.8 | Very high | 76 Ų | 76 | 49.5 Ų | 49.5 | 41% | 0.406 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 16.6 | 168.6 | -68.4 | -23.5 | 0 | 0 | 0 | 112.1 | S55 T56 R105 A107 | S55-D69 VanDerWaalsContact CB-CG 3.45Å; S55-D69 WeakPolarHBondContact CB-OD2 3.44Å; S55-D69 PolarHBondContact O-N 2.9Å; S55-D69 VanDerWaalsContact OG-CG 3.3Å; S55-D69 PolarHBondContact OG-OD2 3.4Å; T56-D69 HydrophobicContact CG2-CB 3.95Å; D69-R105 VanDerWaalsContact O-CD 3.25Å; D69-R105 WeakPolarHBondContact O-CD 3.45Å; D69-R105 VanDerWaalsContact O-CG 3.28Å; D69-R105 WeakPolarHBondContact O-CG 3.33Å; D69-R105 PolarHBondContact O-NH1 3.43Å; D69-A107 WeakPolarHBondContact O-CB 3.42Å |
| 70 | G | 86.2 | Confident | 90.3 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | S | Bend | trans | 91.3 | 11.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | E67 R179 | E67-G70 PolarHBondContact O-N 2.92Å; E67-G70 VanDerWaalsContact O-N 3.15Å; G70-R179 VanDerWaalsContact O-CD 3.24Å; G70-R179 WeakPolarHBondContact O-CD 3.41Å; G70-R179 PolarHBondContact O-NE 2.82Å |
| 71 | A | 94.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -171.6 | 171.1 | 170 | 0 | 0 | 0 | 0 | 0 | 111.6 | T56 Y60 R105 C177 R179 | T56-A71 WeakPolarHBondContact CA-O 3.21Å; Y60-A71 CarbonylContact O-C 3.53Å; Y60-A71 WeakPolarHBondContact O-CA 3.43Å; A71-R105 HydrophobicContact CB-CB 3.58Å; A71-R105 HydrophobicContact CB-CG 3.7Å; A71-C177 HydrophobicContact CB-CB 3.78Å; A71-R179 HydrophobicContact CB-CG 3.95Å |
| 72 | W | 97.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -80.1 | 140.6 | 155.2 | 165.1 | 71.7 | 0 | 0 | 0 | 110.6 | A48 S50 T56 P74 F86 L87 C177 M178 | A48-W72 HydrophobicContact CB-CZ2 4.05Å; A48-W72 VanDerWaalsContact CB-NE1 3.31Å; S50-W72 PolarHBondContact O-NE1 2.92Å; T56-W72 WeakPolarHBondContact O-CA 3.44Å; W72-P74 HydrophobicContact CH2-CG 3.75Å; W72-P74 HydrophobicContact CZ2-CB 4.44Å; W72-P74 HydrophobicContact CZ2-CG 3.74Å; W72-P74 HydrophobicContact CZ3-CG 4.39Å; W72-F86 VanDerWaalsContact CH2-C 3.4Å; W72-F86 WeakPolarHBondContact CZ2-O 3.32Å; W72-L87 HydrophobicContact CB-CD1 4.33Å; W72-L87 HydrophobicContact CD2-CB 4.08Å; W72-L87 HydrophobicContact CD2-CD1 4.11Å; W72-L87 HydrophobicContact CE3-CB 3.68Å; W72-L87 HydrophobicContact CE3-CD1 4.43Å; W72-L87 HydrophobicContact CE3-CD2 4.2Å; W72-L87 HydrophobicContact CE3-CG 4.33Å; W72-L87 HydrophobicContact CG-CD1 4.07Å; W72-L87 HydrophobicContact CH2-CB 4.09Å; W72-L87 HydrophobicContact CZ2-CB 4.49Å; W72-L87 HydrophobicContact CZ3-CB 3.68Å; W72-C177 CarbonylContact O-C 3.51Å; W72-C177 WeakPolarHBondContact O-CA 3.46Å; W72-C177 WeakPolarHBondContact O-CB 3.42Å; W72-M178 HydrophobicContact CE3-CB 4.08Å; W72-M178 HydrophobicContact CZ3-CB 4.32Å; W72-M178 HydrophobicContact CZ3-CG 4.35Å; W72-M178 HydrophobicContact CZ3-SD 4.27Å; W72-M178 PolarHBondContact N-O 3.34Å; W72-M178 PolarHBondContact O-N 2.92Å |
| 73 | C | 96.3 | Very high | 87.5 | Confident | 9 Ų | 9 | 59.6 Ų | 59.6 | 6% | 0.061 | 32% | 0.321 | C | S | . | . | trans | -139.8 | 131.9 | 175.8 | -49.7 | 0 | 0 | 0 | 0 | 110.1 | Q51 W52 T56 C177 | Q51-C73 WeakPolarHBondContact CA-O 3.4Å; W52-C73 HydrophobicContact CB-CB 4.37Å; W52-C73 PolarHBondContact N-O 3.32Å; T56-C73 HydrophobicContact CG2-CB 4.21Å; T56-C73 PolarHBondContact O-N 2.9Å; C73-C177 HydrophobicContact CB-CB 4.11Å; C73-C177 WeakPolarHBondContact CB-SG 3.36Å; C73-C177 WeakPolarHBondContact SG-CB 3.43Å; C73-C177 CovalentContact SG-SG 2.04Å; C73-C177 PolarHBondContact SG-SG 2.68Å | ||
| 74 | P | 95.9 | Very high | 87.3 | Confident | 6 Ų | 6 | 65.7 Ų | 65.7 | 4% | 0.039 | 35% | 0.347 | C | S | . | . | trans | -60.3 | 155.4 | 174.4 | -22.3 | 33.2 | 0 | 0 | 0 | 113.8 | W72 I76 V78 E85 V176 | W72-P74 HydrophobicContact CH2-CG 3.75Å; W72-P74 HydrophobicContact CZ2-CB 4.44Å; W72-P74 HydrophobicContact CZ2-CG 3.74Å; W72-P74 HydrophobicContact CZ3-CG 4.39Å; P74-I76 VanDerWaalsContact C-N 3.29Å; P74-I76 PolarHBondContact O-N 2.89Å; P74-V78 HydrophobicContact CG-CG2 4.25Å; P74-E85 HydrophobicContact CB-CB 4.24Å; P74-E85 HydrophobicContact CB-CG 3.94Å; P74-E85 HydrophobicContact CG-CB 4.15Å; P74-E85 HydrophobicContact CG-CG 4.37Å; P74-V176 VanDerWaalsContact CD-O 3.25Å; P74-V176 WeakPolarHBondContact CD-O 3.2Å; P74-V176 HydrophobicContact CG-CG2 4.17Å | ||
| 75 | E | 93.6 | Very high | 87.7 | Confident | 122 Ų | 122 | 61.5 Ų | 61.5 | 57% | 0.57 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -66.6 | -27.5 | 178.4 | -174.5 | 179.3 | -179.1 | 0 | 0 | 113.5 | S50 | S50-E75 PolarHBondContact OG-N 3.22Š|
| 76 | I | 89.9 | Confident | 88.2 | Confident | 108 Ų | 108 | 62.2 Ų | 62.2 | 55% | 0.554 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -124.3 | 141.6 | -173.8 | -58 | -179.6 | 0 | 0 | 0 | 108.8 | P74 V78 | P74-I76 VanDerWaalsContact C-N 3.29Å; P74-I76 PolarHBondContact O-N 2.89Å; I76-V78 PolarHBondContact O-N 3.49Å |
| 77 | P | 89.8 | Confident | 88.8 | Confident | 48 Ų | 48 | 57.2 Ų | 57.2 | 31% | 0.312 | 30% | 0.301 | S | S | . | . | trans | -54.5 | 136.8 | 173.2 | -21 | 29.9 | 0 | 0 | 0 | 111.3 | E79 N175 | P77-E79 PolarHBondContact O-N 3.38Å; P77-N175 WeakPolarHBondContact CG-OD1 3.39Å | ||
| 78 | V | 90.7 | Very high | 89.4 | Confident | 6 Ų | 6 | 52.5 Ų | 52.5 | 4% | 0.036 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -79.9 | 113 | -177 | 174.8 | 0 | 0 | 0 | 0 | 109.2 | P74 I76 E85 P168 T170 S173 M174 V176 | P74-V78 HydrophobicContact CG-CG2 4.25Å; I76-V78 PolarHBondContact O-N 3.49Å; V78-E85 HydrophobicContact CG2-CB 4.43Å; V78-E85 HydrophobicContact CG2-CG 4.44Å; V78-P168 HydrophobicContact CG2-CG 3.99Å; V78-T170 HydrophobicContact CB-CG2 4.17Å; V78-T170 HydrophobicContact CG1-CG2 4.08Å; V78-T170 PolarHBondContact O-OG1 3.21Å; V78-S173 WeakPolarHBondContact O-CA 3.35Å; V78-M174 PolarHBondContact N-O 3.1Å; V78-M174 PolarHBondContact O-N 3.22Å; V78-V176 HydrophobicContact CB-CG2 4.17Å; V78-V176 HydrophobicContact CG2-CG2 3.54Å |
| 79 | E | 88.7 | Confident | 90 | Very high | 113 Ų | 113 | 50.6 Ų | 50.6 | 53% | 0.528 | 26% | 0.258 | S | S | . | . | trans | -84 | 152.3 | 176.1 | -59.5 | -161.2 | 144.1 | 0 | 0 | 112 | P77 D82 | P77-E79 PolarHBondContact O-N 3.38Å; E79-D82 HydrophobicContact CB-CB 4.37Å; E79-D82 WeakPolarHBondContact O-CB 3.38Å; E79-D82 PolarHBondContact O-N 2.93Å; E79-D82 VanDerWaalsContact O-N 3.12Å | ||
| 80 | P | 83.3 | Confident | 90.5 | Very high | 62 Ų | 62 | 47.8 Ų | 47.8 | 40% | 0.403 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 141.1 | 171.9 | -26.6 | 36.7 | 0 | 0 | 0 | 112.2 | D82 | P80-D82 PolarHBondContact O-N 3.14Å; P80-D82 VanDerWaalsContact O-N 3.1Å |
| 81 | D | 73.2 | Confident | 90.9 | Very high | 156 Ų | 156 | 48.6 Ų | 48.6 | 83% | 0.834 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | -0.2 | -173.6 | -65.7 | -43.7 | 0 | 0 | 0 | 116.7 | L83 | D81-L83 PolarHBondContact O-N 3.02Š|
| 82 | D | 75.4 | Confident | 90.8 | Very high | 46 Ų | 46 | 53.4 Ų | 53.4 | 25% | 0.246 | 27% | 0.27 | C | S | . | . | trans | -82.7 | 117.7 | 172.9 | -159.2 | -4.7 | 0 | 0 | 0 | 112 | E79 P80 K84 | E79-D82 HydrophobicContact CB-CB 4.37Å; E79-D82 WeakPolarHBondContact O-CB 3.38Å; E79-D82 PolarHBondContact O-N 2.93Å; E79-D82 VanDerWaalsContact O-N 3.12Å; P80-D82 PolarHBondContact O-N 3.14Å; P80-D82 VanDerWaalsContact O-N 3.1Å; D82-K84 VanDerWaalsContact OD1-CG 3.27Å; D82-K84 WeakPolarHBondContact OD1-CG 3.45Å; D82-K84 PolarHBondContact OD1-N 2.97Å; D82-K84 IonicContact OD1-NZ 3.87Å; D82-K84 PolarHBondContact OD1-NZ 2.8Å; D82-K84 IonicContact OD2-NZ 2.91Å; D82-K84 PolarHBondContact OD2-NZ 3.48Å | ||
| 83 | L | 77 | Confident | 90.5 | Very high | 79 Ų | 79 | 56.4 Ų | 56.4 | 41% | 0.414 | 29% | 0.288 | S | S | . | . | trans | -116.5 | 21.3 | -176.4 | -54 | 176.7 | 0 | 0 | 0 | 112.5 | D81 K119 I167 V169 | D81-L83 PolarHBondContact O-N 3.02Å; L83-K119 HydrophobicContact CD1-CD 4.45Å; L83-K119 HydrophobicContact CD2-CD 4.07Å; L83-I167 HydrophobicContact CB-CG2 4.32Å; L83-I167 HydrophobicContact CD2-CG2 3.9Å; L83-V169 HydrophobicContact CD2-CG2 4.29Å | ||
| 84 | K | 85.6 | Confident | 90.4 | Very high | 133 Ų | 133 | 56.5 Ų | 56.5 | 58% | 0.578 | 29% | 0.288 | S | S | * | . | trans | -69.7 | -36.6 | 175 | -70.5 | 179 | -148.5 | 75.3 | 0 | 112.8 | D82 F86 | D82-K84 VanDerWaalsContact OD1-CG 3.27Å; D82-K84 WeakPolarHBondContact OD1-CG 3.45Å; D82-K84 PolarHBondContact OD1-N 2.97Å; D82-K84 IonicContact OD1-NZ 3.87Å; D82-K84 PolarHBondContact OD1-NZ 2.8Å; D82-K84 IonicContact OD2-NZ 2.91Å; D82-K84 PolarHBondContact OD2-NZ 3.48Å; K84-F86 VanDerWaalsContact O-CD1 3.3Å; K84-F86 WeakPolarHBondContact O-CD1 3.46Å | ||
| 85 | E | 94.8 | Very high | 90.3 | Very high | 30 Ų | 30 | 57.1 Ų | 57.1 | 14% | 0.14 | 29% | 0.291 | C | S | . | . | trans | -83.6 | 134.5 | -171.1 | -59.4 | -49.2 | 121.3 | 0 | 0 | 113 | S49 S50 P74 V78 | S49-E85 VanDerWaalsContact CB-OE2 3.3Å; S49-E85 WeakPolarHBondContact CB-OE2 3.43Å; S49-E85 VanDerWaalsContact OG-CA 3.28Å; S49-E85 WeakPolarHBondContact OG-CA 3.37Å; S49-E85 PolarHBondContact OG-OE2 2.83Å; S50-E85 WeakPolarHBondContact CB-OE2 3.15Å; S50-E85 PolarHBondContact OG-OE2 2.9Å; P74-E85 HydrophobicContact CB-CB 4.24Å; P74-E85 HydrophobicContact CB-CG 3.94Å; P74-E85 HydrophobicContact CG-CB 4.15Å; P74-E85 HydrophobicContact CG-CG 4.37Å; V78-E85 HydrophobicContact CG2-CB 4.43Å; V78-E85 HydrophobicContact CG2-CG 4.44Å | ||
| 86 | F | 96.3 | Very high | 90.3 | Very high | 38 Ų | 38 | 51.5 Ų | 51.5 | 17% | 0.167 | 26% | 0.264 | C | S | . | . | trans | -155.5 | 148.9 | 178.5 | 60.7 | -97.2 | 0 | 0 | 0 | 113.4 | A48 S49 W72 K84 Q88 R165 F166 I167 | A48-F86 VanDerWaalsContact CA-O 3.23Å; A48-F86 WeakPolarHBondContact CA-O 3.49Å; A48-F86 WeakPolarHBondContact CB-O 3.15Å; S49-F86 PolarHBondContact N-O 2.67Å; S49-F86 PolarHBondContact OG-N 2.88Å; S49-F86 PolarHBondContact OG-O 2.76Å; W72-F86 VanDerWaalsContact CH2-C 3.4Å; W72-F86 WeakPolarHBondContact CZ2-O 3.32Å; K84-F86 VanDerWaalsContact O-CD1 3.3Å; K84-F86 WeakPolarHBondContact O-CD1 3.46Å; F86-Q88 HydrophobicContact CD2-CB 3.85Å; F86-Q88 HydrophobicContact CE2-CB 3.92Å; F86-R165 HydrophobicContact CB-CB 4.19Å; F86-R165 HydrophobicContact CB-CG 4.21Å; F86-R165 HydrophobicContact CD2-CG 3.74Å; F86-R165 HydrophobicContact CE2-CG 4.37Å; F86-R165 HydrophobicContact CG-CG 4.05Å; F86-F166 CarbonylContact C-O 3.59Å; F86-F166 VanDerWaalsContact CA-O 3.24Å; F86-F166 WeakPolarHBondContact CA-O 3.32Å; F86-I167 HydrophobicContact CB-CG1 3.87Å | ||
| 87 | L | 97.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 120.2 | 159.7 | -177.8 | 64.5 | 0 | 0 | 0 | 108.5 | I46 A48 A58 W72 R165 F166 V180 | I46-L87 HydrophobicContact CG2-CD1 3.86Å; A48-L87 HydrophobicContact CB-CD1 4.47Å; A58-L87 HydrophobicContact CB-CD1 3.85Å; W72-L87 HydrophobicContact CB-CD1 4.33Å; W72-L87 HydrophobicContact CD2-CB 4.08Å; W72-L87 HydrophobicContact CD2-CD1 4.11Å; W72-L87 HydrophobicContact CE3-CB 3.68Å; W72-L87 HydrophobicContact CE3-CD1 4.43Å; W72-L87 HydrophobicContact CE3-CD2 4.2Å; W72-L87 HydrophobicContact CE3-CG 4.33Å; W72-L87 HydrophobicContact CG-CD1 4.07Å; W72-L87 HydrophobicContact CH2-CB 4.09Å; W72-L87 HydrophobicContact CZ2-CB 4.49Å; W72-L87 HydrophobicContact CZ3-CB 3.68Å; L87-R165 CarbonylContact O-C 3.58Å; L87-R165 VanDerWaalsContact O-CA 3.27Å; L87-R165 WeakPolarHBondContact O-CA 3.29Å; L87-F166 PolarHBondContact N-O 2.89Å; L87-F166 PolarHBondContact O-N 3.01Å; L87-V180 HydrophobicContact CD2-CG1 4.26Å; L87-V180 HydrophobicContact CD2-CG2 3.74Å |
| 88 | Q | 97.8 | Very high | 90.7 | Very high | 30 Ų | 30 | 44.1 Ų | 44.1 | 14% | 0.14 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 137.3 | -179.1 | -178.3 | -179 | -84.7 | 0 | 0 | 111.3 | T47 F86 W129 V164 R165 | T47-Q88 PolarHBondContact N-O 3.25Å; T47-Q88 WeakPolarHBondContact O-CA 3.13Å; T47-Q88 PolarHBondContact O-N 2.86Å; T47-Q88 VanDerWaalsContact O-O 3.06Å; T47-Q88 PolarHBondContact OG1-NE2 2.79Å; T47-Q88 VanDerWaalsContact OG1-NE2 3.08Å; F86-Q88 HydrophobicContact CD2-CB 3.85Å; F86-Q88 HydrophobicContact CE2-CB 3.92Å; Q88-W129 HydrophobicContact CG-CH2 4.22Å; Q88-V164 CarbonylContact C-O 3.17Å; Q88-V164 WeakPolarHBondContact CA-O 3.44Å; Q88-R165 HydrophobicContact CB-CG 3.81Å; Q88-R165 HydrophobicContact CG-CG 3.97Å; Q88-R165 VanDerWaalsContact OE1-CZ 3.25Å |
| 89 | I | 98.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 129.1 | 175.9 | -67.6 | 154.1 | 0 | 0 | 0 | 108.5 | M36 I41 D45 I46 L91 F163 V164 F166 V180 L182 | M36-I89 HydrophobicContact CE-CD1 3.54Å; M36-I89 HydrophobicContact CE-CG1 4Å; M36-I89 HydrophobicContact CG-CD1 4.14Å; M36-I89 HydrophobicContact SD-CD1 3.48Å; M36-I89 WeakPolarHBondContact SD-CD1 3.29Å; M36-I89 HydrophobicContact SD-CG1 3.78Å; M36-I89 HydrophobicContact SD-CG2 4.22Å; I41-I89 HydrophobicContact CD1-CG2 3.95Å; I41-I89 HydrophobicContact CG2-CG2 4.25Å; D45-I89 WeakPolarHBondContact O-CA 3.16Å; I46-I89 HydrophobicContact CG2-CG1 4.39Å; I89-L91 HydrophobicContact CG2-CD2 3.92Å; I89-L91 HydrophobicContact CG2-CG 4.5Å; I89-F163 WeakPolarHBondContact O-CA 3.49Å; I89-V164 PolarHBondContact N-O 2.83Å; I89-V164 PolarHBondContact O-N 2.83Å; I89-F166 HydrophobicContact CD1-CD2 4.46Å; I89-F166 HydrophobicContact CD1-CE2 4.18Å; I89-V180 HydrophobicContact CD1-CG2 3.55Å; I89-L182 HydrophobicContact CB-CD1 4.42Å; I89-L182 HydrophobicContact CD1-CD1 3.62Å; I89-L182 HydrophobicContact CG2-CD1 4.09Å |
| 90 | D | 97.6 | Very high | 91.2 | Very high | 18 Ų | 18 | 39 Ų | 39 | 10% | 0.096 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 133.8 | 166.6 | -170.2 | -3.7 | 0 | 0 | 0 | 110 | D45 H92 R162 F163 | D45-D90 HydrophobicContact CB-CB 4.22Å; D45-D90 PolarHBondContact O-N 2.65Å; D90-H92 WeakPolarHBondContact OD1-CA 3.33Å; D90-H92 IonicContact OD1-CD2 3.52Å; D90-H92 PolarHBondContact OD1-N 2.77Å; D90-H92 IonicContact OD2-CD2 2.77Å; D90-R162 WeakPolarHBondContact OD1-CG 3.22Å; D90-R162 IonicContact OD1-CZ 3.95Å; D90-R162 IonicContact OD1-NE 2.67Å; D90-R162 PolarHBondContact OD1-NE 3.11Å; D90-R162 IonicContact OD1-NH2 2.67Å; D90-R162 IonicContact OD2-CZ 3.35Å; D90-R162 IonicContact OD2-NE 3.24Å; D90-R162 PolarHBondContact OD2-NE 3.21Å; D90-R162 IonicContact OD2-NH2 3.9Å; D90-R162 PolarHBondContact OD2-NH2 2.7Å; D90-F163 HydrophobicContact CB-CD1 3.74Å; D90-F163 HydrophobicContact CB-CE1 3.79Å; D90-F163 WeakPolarHBondContact OD2-CE1 3.49Å |
| 91 | L | 95.3 | Very high | 91.7 | Very high | 17 Ų | 17 | 36.1 Ų | 36.1 | 9% | 0.089 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 5.2 | 177.8 | -56.4 | 172.6 | 0 | 0 | 0 | 112.7 | L34 I41 I89 T93 H95 I97 R162 | L34-L91 HydrophobicContact CB-CD2 4.33Å; L34-L91 HydrophobicContact CD1-CD1 3.9Å; L34-L91 HydrophobicContact CD1-CD2 4.4Å; I41-L91 HydrophobicContact CD1-CD2 3.66Å; I41-L91 HydrophobicContact CG1-CD2 4.38Å; I89-L91 HydrophobicContact CG2-CD2 3.92Å; I89-L91 HydrophobicContact CG2-CG 4.5Å; L91-T93 PolarHBondContact O-N 3.39Å; L91-T93 PolarHBondContact O-OG1 3.38Å; L91-H95 HydrophobicContact CD1-CB 3.88Å; L91-I97 HydrophobicContact CD1-CD1 3.82Å; L91-R162 WeakPolarHBondContact CB-O 3.29Å; L91-R162 WeakPolarHBondContact CG-O 3.45Å; L91-R162 PolarHBondContact N-O 2.92Å |
| 92 | H | 92.2 | Very high | 92.7 | Very high | 100 Ų | 100 | 28.7 Ų | 28.7 | 46% | 0.463 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 57.8 | -32.9 | -171.8 | -67.8 | 173.7 | 0 | 0 | 0 | 116.5 | D45 D90 R162 | D45-H92 IonicContact OD1-CD2 2.81Å; D45-H92 IonicContact OD1-CE1 3.66Å; D45-H92 IonicContact OD1-NE2 2.81Å; D45-H92 PolarHBondContact OD1-NE2 2.86Å; D45-H92 IonicContact OD2-CD2 3.22Å; D45-H92 IonicContact OD2-CE1 3.26Å; D45-H92 PolarHBondContact OD2-CE1 2.82Å; D45-H92 VanDerWaalsContact OD2-CE1 3.23Å; D45-H92 IonicContact OD2-NE2 2.69Å; D45-H92 PolarHBondContact OD2-NE2 2.69Å; D90-H92 WeakPolarHBondContact OD1-CA 3.33Å; D90-H92 IonicContact OD1-CD2 3.52Å; D90-H92 PolarHBondContact OD1-N 2.77Å; D90-H92 IonicContact OD2-CD2 2.77Å; H92-R162 WeakPolarHBondContact O-CD 3.22Å; H92-R162 PolarHBondContact O-NE 2.69Å |
| 93 | T | 91.3 | Very high | 93.6 | Very high | 63 Ų | 63 | 26.9 Ų | 26.9 | 39% | 0.387 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 158 | -175.9 | 56.5 | 0 | 0 | 0 | 0 | 109.8 | L91 H95 | L91-T93 PolarHBondContact O-N 3.39Å; L91-T93 PolarHBondContact O-OG1 3.38Å; T93-H95 PolarHBondContact O-N 3.36Å; T93-H95 PolarHBondContact O-ND1 3.04Å; T93-H95 PolarHBondContact OG1-CE1 3.38Å; T93-H95 VanDerWaalsContact OG1-CE1 3.25Å |
| 94 | L | 93.4 | Very high | 94.3 | Very high | 11 Ų | 11 | 23.1 Ų | 23.1 | 6% | 0.058 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 131.2 | 176.4 | -64.7 | 172.9 | 0 | 0 | 0 | 110.3 | R124 V160 A161 R162 W187 V192 D276 | L94-R124 HydrophobicContact CD2-CB 3.83Å; L94-R124 HydrophobicContact CD2-CG 3.74Å; L94-V160 HydrophobicContact CB-CG1 4.4Å; L94-V160 HydrophobicContact CD2-CG1 4.44Å; L94-A161 WeakPolarHBondContact CA-O 3.44Å; L94-R162 HydrophobicContact CD2-CB 4.16Å; L94-W187 HydrophobicContact CB-CB 3.82Å; L94-W187 HydrophobicContact CB-CG 4.31Å; L94-W187 VanDerWaalsContact O-CB 3.31Å; L94-W187 WeakPolarHBondContact O-CB 3.42Å; L94-W187 PolarHBondContact O-N 2.86Å; L94-V192 HydrophobicContact CD1-CG2 4.03Å; L94-D276 HydrophobicContact CD1-CB 3.81Å |
| 95 | H | 93.9 | Very high | 94.6 | Very high | 20 Ų | 20 | 18.7 Ų | 18.7 | 9% | 0.093 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 146.1 | 174.2 | -74.4 | 77.4 | 0 | 0 | 0 | 109.8 | L34 L91 T93 I97 V160 A161 C185 | L34-H95 HydrophobicContact CD1-CB 4.09Å; L91-H95 HydrophobicContact CD1-CB 3.88Å; T93-H95 PolarHBondContact O-N 3.36Å; T93-H95 PolarHBondContact O-ND1 3.04Å; T93-H95 PolarHBondContact OG1-CE1 3.38Å; T93-H95 VanDerWaalsContact OG1-CE1 3.25Å; H95-I97 HydrophobicContact CB-CD1 4.49Å; H95-I97 HydrophobicContact CB-CG1 4.04Å; H95-V160 WeakPolarHBondContact O-CA 3.28Å; H95-A161 PolarHBondContact N-O 2.8Å; H95-A161 PolarHBondContact O-N 2.9Å; H95-C185 CarbonylContact C-O 3.42Å; H95-C185 WeakPolarHBondContact CA-O 3.29Å |
| 96 | F | 94.4 | Very high | 94.1 | Very high | 3 Ų | 3 | 20.1 Ų | 20.1 | 1% | 0.013 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 115.8 | 166.5 | -171 | -86.7 | 0 | 0 | 0 | 107.4 | V25 P27 C30 T98 P158 I159 V160 G184 C185 W187 D234 | V25-F96 HydrophobicContact CG1-CB 4.36Å; V25-F96 HydrophobicContact CG1-CD1 3.61Å; V25-F96 HydrophobicContact CG1-CD2 4.28Å; V25-F96 HydrophobicContact CG1-CE1 3.81Å; V25-F96 HydrophobicContact CG1-CE2 4.48Å; V25-F96 HydrophobicContact CG1-CG 3.85Å; V25-F96 HydrophobicContact CG1-CZ 4.24Å; P27-F96 HydrophobicContact CB-CE1 4.33Å; P27-F96 HydrophobicContact CG-CE1 4.02Å; P27-F96 HydrophobicContact CG-CZ 4.09Å; C30-F96 HydrophobicContact CB-CD1 4.43Å; F96-T98 HydrophobicContact CD1-CG2 3.73Å; F96-T98 HydrophobicContact CE1-CG2 3.6Å; F96-P158 HydrophobicContact CD1-CB 4.3Å; F96-P158 HydrophobicContact CE1-CB 3.58Å; F96-P158 HydrophobicContact CE1-CG 3.93Å; F96-P158 HydrophobicContact CE2-CB 4.19Å; F96-P158 HydrophobicContact CZ-CB 3.51Å; F96-P158 HydrophobicContact CZ-CG 3.83Å; F96-I159 WeakPolarHBondContact CA-O 3.5Å; F96-V160 HydrophobicContact CD2-CG2 3.78Å; F96-V160 HydrophobicContact CE2-CG2 4.47Å; F96-G184 CarbonylContact O-C 3.18Å; F96-G184 WeakPolarHBondContact O-CA 3.4Å; F96-C185 PolarHBondContact N-O 3.1Å; F96-C185 PolarHBondContact O-N 2.8Å; F96-W187 HydrophobicContact CB-CE3 3.97Å; F96-W187 AromaticContact CD2-CE3 3.78Å; F96-W187 HydrophobicContact CD2-CE3 3.78Å; F96-W187 HydrophobicContact CD2-CH2 4.41Å; F96-W187 AromaticContact CD2-CZ3 3.54Å; F96-W187 HydrophobicContact CD2-CZ3 3.54Å; F96-W187 HydrophobicContact CE2-CZ3 4.11Å; F96-W187 HydrophobicContact CG-CE3 4.3Å; F96-W187 HydrophobicContact CG-CZ3 4.38Å; F96-D234 WeakPolarHBondContact CZ-O 3.35Å |
| 97 | I | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 120.7 | -168.9 | -47.8 | 176.5 | 0 | 0 | 0 | 108.1 | L34 L91 H95 L155 P158 I159 A161 V164 L182 Y183 | L34-I97 HydrophobicContact CD1-CD1 4.49Å; L34-I97 HydrophobicContact CD1-CG1 4.17Å; L91-I97 HydrophobicContact CD1-CD1 3.82Å; H95-I97 HydrophobicContact CB-CD1 4.49Å; H95-I97 HydrophobicContact CB-CG1 4.04Å; I97-L155 HydrophobicContact CG2-CD1 4.15Å; I97-P158 WeakPolarHBondContact O-CA 3.49Å; I97-P158 WeakPolarHBondContact O-CB 3.21Å; I97-I159 HydrophobicContact CB-CD1 4.49Å; I97-I159 HydrophobicContact CB-CG1 3.84Å; I97-I159 HydrophobicContact CD1-CD1 4.41Å; I97-I159 HydrophobicContact CD1-CG1 4.38Å; I97-I159 HydrophobicContact CG1-CG1 4.41Å; I97-I159 PolarHBondContact N-O 3Å; I97-I159 PolarHBondContact O-N 3.13Å; I97-A161 HydrophobicContact CD1-CB 4.14Å; I97-V164 HydrophobicContact CD1-CG2 3.64Å; I97-L182 HydrophobicContact CD1-CD2 3.92Å; I97-L182 HydrophobicContact CG2-CB 4.33Å; I97-L182 HydrophobicContact CG2-CD2 4.32Å; I97-Y183 WeakPolarHBondContact CG2-O 3.39Å |
| 98 | T | 93 | Very high | 92.2 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | -21.3 | -171.2 | 62 | 0 | 0 | 0 | 0 | 113.4 | P27 C30 F96 L155 P158 Y183 | P27-T98 HydrophobicContact CB-CG2 4.13Å; C30-T98 HydrophobicContact CB-CG2 4.43Å; C30-T98 WeakPolarHBondContact O-CG2 3.5Å; C30-T98 PolarHBondContact O-OG1 3.21Å; F96-T98 HydrophobicContact CD1-CG2 3.73Å; F96-T98 HydrophobicContact CE1-CG2 3.6Å; T98-L155 PolarHBondContact O-N 2.86Å; T98-P158 HydrophobicContact CG2-CB 4.35Å; T98-P158 HydrophobicContact CG2-CG 4.42Å; T98-Y183 PolarHBondContact N-O 2.83Å |
| 99 | L | 92.8 | Very high | 91.1 | Very high | 11 Ų | 11 | 22.8 Ų | 22.8 | 6% | 0.058 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 143.8 | -167.3 | 167.6 | 79.6 | 0 | 0 | 0 | 108.2 | L152 K153 Y183 | L99-L152 HydrophobicContact CD1-CB 4.11Å; L99-K153 VanDerWaalsContact CD1-C 3.47Å; L99-K153 WeakPolarHBondContact CD1-O 3.22Å; L99-Y183 HydrophobicContact CB-CD2 4.43Å; L99-Y183 HydrophobicContact CD2-CD1 4.39Å; L99-Y183 HydrophobicContact CD2-CD2 3.72Å; L99-Y183 HydrophobicContact CD2-CE2 4.34Å; L99-Y183 HydrophobicContact CD2-CG 3.75Å; L99-Y183 HydrophobicContact CG-CD2 3.79Å; L99-Y183 HydrophobicContact CG-CG 4.15Å; L99-Y183 PolarHBondContact N-O 2.81Å; L99-Y183 WeakPolarHBondContact O-CA 3.34Å; L99-Y183 WeakPolarHBondContact O-CB 2.98Å; L99-Y183 PolarHBondContact O-N 2.77Å |
| 100 | V | 95.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 154.1 | 169.7 | -65.5 | 0 | 0 | 0 | 0 | 110.6 | Y118 I120 L152 K153 L155 F166 E181 | V100-Y118 HydrophobicContact CG2-CE2 4.23Å; V100-Y118 WeakPolarHBondContact CG2-OH 3.43Å; V100-I120 HydrophobicContact CG1-CD1 3.95Å; V100-I120 HydrophobicContact CG2-CD1 4.02Å; V100-L152 WeakPolarHBondContact O-CA 3.29Å; V100-K153 HydrophobicContact CG2-CB 4.19Å; V100-K153 PolarHBondContact N-O 2.99Å; V100-K153 PolarHBondContact O-N 3.27Å; V100-L155 HydrophobicContact CG1-CD1 4.26Å; V100-L155 HydrophobicContact CG2-CD2 4.39Å; V100-F166 HydrophobicContact CB-CE1 3.9Å; V100-F166 HydrophobicContact CB-CZ 4Å; V100-F166 HydrophobicContact CG1-CE1 4Å; V100-F166 HydrophobicContact CG1-CZ 3.76Å; V100-F166 HydrophobicContact CG2-CE1 4.16Å; V100-E181 WeakPolarHBondContact CA-O 3.21Å |
| 101 | G | 94.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 138.7 | 170 | 0 | 0 | 0 | 0 | 0 | 110.8 | F151 V180 E181 | G101-F151 CarbonylContact C-O 3.56Å; G101-F151 WeakPolarHBondContact CA-O 3.44Å; G101-V180 CarbonylContact O-C 3.54Å; G101-V180 VanDerWaalsContact O-CA 3.24Å; G101-V180 WeakPolarHBondContact O-CA 3.33Å; G101-E181 PolarHBondContact N-O 3.28Å; G101-E181 PolarHBondContact O-N 3.33Å |
| 102 | T | 95.4 | Very high | 89 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 147.8 | 173.6 | 61.7 | 0 | 0 | 0 | 0 | 111.2 | Y118 N144 F151 F166 M178 R179 V180 | T102-Y118 HydrophobicContact CG2-CD1 4.22Å; T102-Y118 HydrophobicContact CG2-CE1 3.63Å; T102-Y118 HydrophobicContact CG2-CE2 4.25Å; T102-N144 VanDerWaalsContact CB-OD1 3.26Å; T102-N144 WeakPolarHBondContact CB-OD1 3.48Å; T102-N144 PolarHBondContact O-ND2 3.2Å; T102-N144 PolarHBondContact O-OD1 3.29Å; T102-N144 PolarHBondContact OG1-OD1 2.61Å; T102-F151 PolarHBondContact N-O 2.61Å; T102-F151 PolarHBondContact O-N 3.47Å; T102-F166 HydrophobicContact CG2-CD1 4.35Å; T102-F166 HydrophobicContact CG2-CE1 4.27Å; T102-M178 HydrophobicContact CG2-CE 4Å; T102-R179 CarbonylContact C-O 3.59Å; T102-R179 WeakPolarHBondContact CA-O 3.47Å; T102-V180 HydrophobicContact CG2-CG1 4.24Å |
| 103 | Q | 93.3 | Very high | 89 | Confident | 9 Ų | 9 | 32.4 Ų | 32.4 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 148.4 | -179.9 | -167.7 | -176.5 | 28.3 | 0 | 0 | 108.4 | L63 N144 Y148 I150 R179 | L63-Q103 HydrophobicContact CD1-CB 3.58Å; Q103-N144 WeakPolarHBondContact CA-ND2 3.47Å; Q103-N144 PolarHBondContact N-OD1 2.54Å; Q103-Y148 PolarHBondContact NE2-O 2.9Å; Q103-I150 HydrophobicContact CB-CG1 4.44Å; Q103-I150 HydrophobicContact CG-CG1 4.21Å; Q103-R179 HydrophobicContact CB-CB 4.16Å; Q103-R179 VanDerWaalsContact CD-NH2 3.3Å; Q103-R179 PolarHBondContact N-O 3.01Å; Q103-R179 PolarHBondContact O-N 3.39Å |
| 104 | G | 91.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -83.5 | -165.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | P147 R179 | G104-P147 CarbonylContact C-O 3.57Å; G104-P147 WeakPolarHBondContact CA-O 3.44Å; G104-P147 PolarHBondContact N-O 3.37Å; G104-R179 PolarHBondContact O-NE 2.84Å; G104-R179 PolarHBondContact O-NH2 2.88Å | ||
| 105 | R | 92.8 | Very high | 89.3 | Confident | 40 Ų | 40 | 31.1 Ų | 31.1 | 15% | 0.151 | 18% | 0.178 | C | C | . | . | trans | -92.3 | 105.6 | 177.4 | -170.1 | -178.5 | 80.5 | 93.4 | -6.1 | 110.7 | D69 A71 A107 G111 E113 P147 C177 | D69-R105 VanDerWaalsContact O-CD 3.25Å; D69-R105 WeakPolarHBondContact O-CD 3.45Å; D69-R105 VanDerWaalsContact O-CG 3.28Å; D69-R105 WeakPolarHBondContact O-CG 3.33Å; D69-R105 PolarHBondContact O-NH1 3.43Å; A71-R105 HydrophobicContact CB-CB 3.58Å; A71-R105 HydrophobicContact CB-CG 3.7Å; R105-A107 HydrophobicContact CG-CB 4.33Å; R105-G111 CarbonylContact O-C 3.47Å; R105-G111 WeakPolarHBondContact O-CA 3.23Å; R105-E113 IonicContact CZ-OE1 2.7Å; R105-E113 IonicContact CZ-OE2 2.68Å; R105-E113 VanDerWaalsContact CZ-OE2 3.26Å; R105-E113 PolarHBondContact N-O 3.3Å; R105-E113 IonicContact NE-OE1 3.14Å; R105-E113 IonicContact NE-OE2 3.82Å; R105-E113 PolarHBondContact NE-OE2 3.49Å; R105-E113 VanDerWaalsContact NH2-CD 3.29Å; R105-E113 IonicContact NH2-OE1 3.23Å; R105-E113 PolarHBondContact NH2-OE1 2.92Å; R105-E113 IonicContact NH2-OE2 2.61Å; R105-E113 PolarHBondContact NH2-OE2 2.82Å; R105-P147 VanDerWaalsContact O-CB 3.24Å; R105-P147 WeakPolarHBondContact O-CB 3.4Å; R105-C177 HydrophobicContact CB-CB 3.73Å | ||
| 106 | H | 83.6 | Confident | 89.3 | Confident | 59 Ų | 59 | 32 Ų | 32 | 27% | 0.273 | 19% | 0.186 | S | C | . | . | trans | -85.3 | -45.8 | 179.5 | -173.2 | 51.2 | 0 | 0 | 0 | 113.3 | E66 G108 G109 H110 G111 | E66-H106 IonicContact OE1-CD2 2.71Å; E66-H106 PolarHBondContact OE1-CD2 2.94Å; E66-H106 IonicContact OE1-CG 2.67Å; H106-G108 PolarHBondContact O-N 3.41Å; H106-G109 VanDerWaalsContact CE1-CA 3.49Å; H106-G109 WeakPolarHBondContact CE1-CA 3.22Å; H106-G109 PolarHBondContact NE2-N 2.9Å; H106-G109 PolarHBondContact O-N 3.37Å; H106-H110 PolarHBondContact O-N 2.84Å; H106-G111 PolarHBondContact O-N 3.04Å | ||
| 107 | A | 81.8 | Confident | 89.3 | Confident | 24 Ų | 24 | 33.7 Ų | 33.7 | 20% | 0.198 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | 47.5 | 55.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | E66 D69 R105 G109 H110 | E66-A107 PolarHBondContact OE1-N 2.93Å; D69-A107 WeakPolarHBondContact O-CB 3.42Å; R105-A107 HydrophobicContact CG-CB 4.33Å; A107-G109 PolarHBondContact O-N 2.87Å; A107-H110 PolarHBondContact O-N 2.86Å; A107-H110 VanDerWaalsContact O-N 3.14Å |
| 108 | G | 72.1 | Confident | 89.3 | Confident | 54 Ų | 54 | 33.7 Ų | 33.7 | 56% | 0.557 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | 61.9 | 24.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | E66 H106 | E66-G108 PolarHBondContact OE1-N 2.96Å; H106-G108 PolarHBondContact O-N 3.41Å |
| 109 | G | 75.5 | Confident | 89.4 | Confident | 47 Ų | 47 | 35 Ų | 35 | 49% | 0.485 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | 89.4 | 4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | H106 A107 | H106-G109 VanDerWaalsContact CE1-CA 3.49Å; H106-G109 WeakPolarHBondContact CE1-CA 3.22Å; H106-G109 PolarHBondContact NE2-N 2.9Å; H106-G109 PolarHBondContact O-N 3.37Å; A107-G109 PolarHBondContact O-N 2.87Å |
| 110 | H | 76.4 | Confident | 89.6 | Confident | 163 Ų | 163 | 34.6 Ų | 34.6 | 76% | 0.755 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -15.2 | 176.2 | -66.4 | -57.6 | 0 | 0 | 0 | 114.3 | H106 A107 | H106-H110 PolarHBondContact O-N 2.84Å; A107-H110 PolarHBondContact O-N 2.86Å; A107-H110 VanDerWaalsContact O-N 3.14Å |
| 111 | G | 81.2 | Confident | 89.7 | Confident | 3 Ų | 3 | 36 Ų | 36 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | trans | -85.9 | 144.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R105 H106 P147 | R105-G111 CarbonylContact O-C 3.47Å; R105-G111 WeakPolarHBondContact O-CA 3.23Å; H106-G111 PolarHBondContact O-N 3.04Å; G111-P147 WeakPolarHBondContact O-CG 3.5Å | ||
| 112 | I | 89.4 | Confident | 89.9 | Confident | 129 Ų | 129 | 36.7 Ų | 36.7 | 66% | 0.662 | 21% | 0.208 | S | C | * | . | trans | -133.1 | -3 | -177.3 | 62.1 | 171.8 | 0 | 0 | 0 | 112.8 | F114 | I112-F114 VanDerWaalsContact O-CD1 3.3Å; I112-F114 WeakPolarHBondContact O-CD1 3.42Å | ||
| 113 | E | 92.5 | Very high | 89.9 | Confident | 42 Ų | 42 | 36.7 Ų | 36.7 | 20% | 0.196 | 21% | 0.208 | C | C | . | . | trans | -92.3 | 130.5 | -170.8 | -50.7 | 86.3 | 160.8 | 0 | 0 | 110.8 | R105 C177 | R105-E113 IonicContact CZ-OE1 2.7Å; R105-E113 IonicContact CZ-OE2 2.68Å; R105-E113 VanDerWaalsContact CZ-OE2 3.26Å; R105-E113 PolarHBondContact N-O 3.3Å; R105-E113 IonicContact NE-OE1 3.14Å; R105-E113 IonicContact NE-OE2 3.82Å; R105-E113 PolarHBondContact NE-OE2 3.49Å; R105-E113 VanDerWaalsContact NH2-CD 3.29Å; R105-E113 IonicContact NH2-OE1 3.23Å; R105-E113 PolarHBondContact NH2-OE1 2.92Å; R105-E113 IonicContact NH2-OE2 2.61Å; R105-E113 PolarHBondContact NH2-OE2 2.82Å; E113-C177 HydrophobicContact CB-CB 4.1Å | ||
| 114 | F | 94.4 | Very high | 90 | Very high | 46 Ų | 46 | 37.7 Ų | 37.7 | 20% | 0.202 | 21% | 0.211 | C | C | . | . | trans | -152.5 | 158.8 | 179.6 | 56.9 | -92.2 | 0 | 0 | 0 | 110.4 | I112 P116 N144 S145 C177 | I112-F114 VanDerWaalsContact O-CD1 3.3Å; I112-F114 WeakPolarHBondContact O-CD1 3.42Å; F114-P116 HydrophobicContact CE2-CB 4.43Å; F114-P116 WeakPolarHBondContact O-CD 3.12Å; F114-N144 HydrophobicContact CB-CB 4.18Å; F114-N144 HydrophobicContact CD2-CB 4.18Å; F114-N144 WeakPolarHBondContact CD2-O 3.48Å; F114-N144 WeakPolarHBondContact CE2-O 3.43Å; F114-N144 HydrophobicContact CG-CB 4.46Å; F114-S145 WeakPolarHBondContact CZ-O 3.38Å; F114-C177 WeakPolarHBondContact CA-O 3.18Å | ||
| 115 | A | 94.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | trans | -89.2 | 114.1 | 172 | 0 | 0 | 0 | 0 | 0 | 110.4 | M117 N144 P168 C177 M178 | A115-M117 VanDerWaalsContact C-N 3.34Å; A115-N144 PolarHBondContact O-N 3.04Å; A115-P168 HydrophobicContact CB-CB 4.16Å; A115-C177 PolarHBondContact N-O 2.81Å; A115-M178 HydrophobicContact CB-CE 4.04Å; A115-M178 HydrophobicContact CB-CG 3.63Å; A115-M178 HydrophobicContact CB-SD 3.75Å | ||
| 116 | P | 93.8 | Very high | 89.8 | Confident | 39 Ų | 39 | 41.1 Ų | 41.1 | 25% | 0.253 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -74.9 | -25.8 | -179.8 | 30.8 | -35.1 | 0 | 0 | 0 | 112.7 | F114 G143 N144 M174 | F114-P116 HydrophobicContact CE2-CB 4.43Å; F114-P116 WeakPolarHBondContact O-CD 3.12Å; P116-G143 WeakPolarHBondContact O-CA 3.34Å; P116-G143 PolarHBondContact O-N 2.79Å; P116-N144 WeakPolarHBondContact CA-O 2.99Å; P116-M174 HydrophobicContact CG-SD 4.31Å |
| 117 | M | 95 | Very high | 90.2 | Very high | 38 Ų | 38 | 44 Ų | 44 | 19% | 0.187 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 161.9 | 173.9 | -68.5 | -177.2 | -76.7 | 0 | 0 | 109.5 | A115 V140 L141 V169 D171 | A115-M117 VanDerWaalsContact C-N 3.34Å; M117-V140 HydrophobicContact CB-CG1 3.82Å; M117-V140 HydrophobicContact CG-CG1 4.11Å; M117-V140 HydrophobicContact SD-CG1 3.73Å; M117-L141 CarbonylContact C-O 3.58Å; M117-L141 VanDerWaalsContact CA-O 3.31Å; M117-L141 WeakPolarHBondContact CA-O 3.35Å; M117-V169 HydrophobicContact CB-CB 4.06Å; M117-V169 HydrophobicContact CB-CG1 4.4Å; M117-V169 PolarHBondContact N-O 2.87Å; M117-V169 PolarHBondContact O-N 3.06Å; M117-V169 VanDerWaalsContact O-O 3.13Å; M117-D171 WeakPolarHBondContact CE-OD1 3.2Å; M117-D171 WeakPolarHBondContact CE-OD2 3.39Å |
| 118 | Y | 95.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 168.3 | 173.2 | 57.3 | -83.4 | 0 | 0 | 0 | 111.6 | V100 T102 I120 L141 K153 F166 I167 M178 | V100-Y118 HydrophobicContact CG2-CE2 4.23Å; V100-Y118 WeakPolarHBondContact CG2-OH 3.43Å; T102-Y118 HydrophobicContact CG2-CD1 4.22Å; T102-Y118 HydrophobicContact CG2-CE1 3.63Å; T102-Y118 HydrophobicContact CG2-CE2 4.25Å; Y118-I120 HydrophobicContact CD2-CG1 4.19Å; Y118-I120 HydrophobicContact CE2-CD1 4.15Å; Y118-I120 HydrophobicContact CE2-CG1 4.14Å; Y118-L141 HydrophobicContact CD1-CB 4.47Å; Y118-L141 HydrophobicContact CD2-CB 4Å; Y118-L141 HydrophobicContact CD2-CD1 4.11Å; Y118-L141 HydrophobicContact CE1-CB 4.19Å; Y118-L141 HydrophobicContact CE2-CB 3.69Å; Y118-L141 HydrophobicContact CE2-CD1 3.46Å; Y118-L141 VanDerWaalsContact CE2-CD1 3.46Å; Y118-L141 HydrophobicContact CE2-CG 4.21Å; Y118-L141 HydrophobicContact CG-CB 4.37Å; Y118-L141 PolarHBondContact N-O 2.91Å; Y118-L141 PolarHBondContact O-N 2.77Å; Y118-K153 WeakPolarHBondContact OH-CB 3.33Å; Y118-F166 HydrophobicContact CD2-CD1 4.07Å; Y118-F166 HydrophobicContact CE2-CD1 4.12Å; Y118-F166 HydrophobicContact CE2-CE1 4.28Å; Y118-I167 CarbonylContact C-O 3.57Å; Y118-I167 WeakPolarHBondContact CA-O 3.39Å; Y118-I167 VanDerWaalsContact CB-O 3.25Å; Y118-I167 WeakPolarHBondContact CB-O 3.49Å; Y118-M178 HydrophobicContact CD1-CE 4.3Å; Y118-M178 HydrophobicContact CG-CE 4.2Å |
| 119 | K | 96.1 | Very high | 91.7 | Very high | 30 Ų | 30 | 47.5 Ų | 47.5 | 13% | 0.13 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 154.2 | 165.5 | -67.7 | 170.9 | -171.3 | 173.6 | 0 | 108.5 | L83 V140 I167 V169 | L83-K119 HydrophobicContact CD1-CD 4.45Å; L83-K119 HydrophobicContact CD2-CD 4.07Å; K119-V140 HydrophobicContact CG-CG2 4.24Å; K119-I167 HydrophobicContact CB-CB 4.34Å; K119-I167 PolarHBondContact N-O 3.12Å; K119-I167 PolarHBondContact O-N 3.39Å; K119-V169 HydrophobicContact CD-CG2 4.17Å; K119-V169 HydrophobicContact CG-CG2 3.96Å |
| 120 | I | 97.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 124.4 | 169.3 | -70.4 | 174.5 | 0 | 0 | 0 | 108.8 | V100 Y118 W132 L141 L155 I159 V164 R165 F166 | V100-I120 HydrophobicContact CG1-CD1 3.95Å; V100-I120 HydrophobicContact CG2-CD1 4.02Å; Y118-I120 HydrophobicContact CD2-CG1 4.19Å; Y118-I120 HydrophobicContact CE2-CD1 4.15Å; Y118-I120 HydrophobicContact CE2-CG1 4.14Å; I120-W132 HydrophobicContact CB-CB 4.18Å; I120-W132 HydrophobicContact CG2-CB 4.35Å; I120-W132 WeakPolarHBondContact O-CB 3.45Å; I120-W132 PolarHBondContact O-N 3.48Å; I120-L141 HydrophobicContact CD1-CD1 3.65Å; I120-L141 HydrophobicContact CG1-CD1 4Å; I120-L155 HydrophobicContact CD1-CD2 3.91Å; I120-I159 HydrophobicContact CG2-CD1 4.36Å; I120-V164 HydrophobicContact CG2-CG1 3.83Å; I120-R165 WeakPolarHBondContact CA-O 3.26Å; I120-F166 HydrophobicContact CD1-CE1 4.21Å; I120-F166 HydrophobicContact CG1-CD1 4.34Å; I120-F166 HydrophobicContact CG1-CE1 4.4Å |
| 121 | N | 97.3 | Very high | 93.5 | Very high | 31 Ų | 31 | 40.6 Ų | 40.6 | 17% | 0.166 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 139.3 | 161.1 | -76.5 | 4 | 0 | 0 | 0 | 108.5 | W129 I130 S131 R165 I167 | N121-W129 HydrophobicContact CB-CE3 4.14Å; N121-I130 CarbonylContact C-O 3.59Å; N121-I130 VanDerWaalsContact CA-O 3.25Å; N121-I130 WeakPolarHBondContact CA-O 3.34Å; N121-S131 VanDerWaalsContact OD1-CA 3.27Å; N121-S131 WeakPolarHBondContact OD1-CA 3.13Å; N121-S131 VanDerWaalsContact OD1-CB 3.31Å; N121-S131 WeakPolarHBondContact OD1-CB 3.34Å; N121-S131 PolarHBondContact OD1-OG 2.87Å; N121-R165 HydrophobicContact CB-CB 4.18Å; N121-R165 PolarHBondContact N-O 3.43Å; N121-R165 PolarHBondContact O-N 3.31Å; N121-I167 HydrophobicContact CB-CD1 3.93Å; N121-I167 VanDerWaalsContact CG-CD1 3.45Å; N121-I167 WeakPolarHBondContact ND2-CD1 3.47Å |
| 122 | Y | 97.6 | Very high | 94.2 | Very high | 15 Ų | 15 | 41 Ų | 41 | 6% | 0.059 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 162.9 | 180 | 65.4 | -82.9 | 0 | 0 | 0 | 111.9 | I130 W132 I159 A161 F163 D218 | Y122-I130 HydrophobicContact CD1-CB 4.41Å; Y122-I130 VanDerWaalsContact CD1-O 3.31Å; Y122-I130 WeakPolarHBondContact CD1-O 3.1Å; Y122-I130 HydrophobicContact CE1-CB 4.07Å; Y122-I130 HydrophobicContact CE1-CG2 3.81Å; Y122-I130 HydrophobicContact CE2-CB 4.24Å; Y122-I130 HydrophobicContact CE2-CD1 4.24Å; Y122-I130 HydrophobicContact CE2-CG2 4.37Å; Y122-I130 PolarHBondContact N-O 3.43Å; Y122-I130 PolarHBondContact O-N 3.12Å; Y122-W132 HydrophobicContact CD1-CB 4.26Å; Y122-W132 HydrophobicContact CE1-CB 4.04Å; Y122-I159 HydrophobicContact CD1-CD1 4.04Å; Y122-I159 HydrophobicContact CD1-CG2 4.06Å; Y122-I159 HydrophobicContact CD2-CB 4.22Å; Y122-I159 HydrophobicContact CD2-CD1 4.39Å; Y122-I159 HydrophobicContact CD2-CG2 4.47Å; Y122-I159 HydrophobicContact CE1-CB 4.43Å; Y122-I159 HydrophobicContact CE1-CG2 3.67Å; Y122-I159 HydrophobicContact CE2-CB 4.1Å; Y122-I159 HydrophobicContact CE2-CG2 4.1Å; Y122-I159 HydrophobicContact CG-CB 4.42Å; Y122-I159 HydrophobicContact CG-CD1 3.87Å; Y122-I159 HydrophobicContact CG-CG2 4.44Å; Y122-A161 HydrophobicContact CD2-CB 4.02Å; Y122-A161 HydrophobicContact CG-CB 4.38Å; Y122-F163 CarbonylContact C-O 3.21Å; Y122-F163 WeakPolarHBondContact CA-O 3.47Å; Y122-D218 WeakPolarHBondContact OH-CB 3.39Å; Y122-D218 PolarHBondContact OH-OD2 2.93Å |
| 123 | S | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 148.4 | -179.4 | -178.1 | 0 | 0 | 0 | 0 | 111.7 | D125 G126 R128 R162 F163 | S123-D125 PolarHBondContact OG-N 2.93Å; S123-D125 PolarHBondContact OG-OD1 3.28Å; S123-G126 WeakPolarHBondContact OG-CA 3.48Å; S123-G126 PolarHBondContact OG-N 2.84Å; S123-R128 WeakPolarHBondContact CB-O 3.22Å; S123-R128 PolarHBondContact OG-O 2.83Å; S123-R162 PolarHBondContact O-N 3.03Å; S123-F163 PolarHBondContact N-O 3.23Å; S123-F163 PolarHBondContact O-N 2.84Å |
| 124 | R | 94.7 | Very high | 94.3 | Very high | 29 Ų | 29 | 38.7 Ų | 38.7 | 11% | 0.109 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -99.4 | -25.1 | 175 | -70.6 | -171.4 | -78.9 | -76.2 | 3.6 | 113 | L94 V160 V192 D218 | L94-R124 HydrophobicContact CD2-CB 3.83Å; L94-R124 HydrophobicContact CD2-CG 3.74Å; R124-V160 WeakPolarHBondContact CD-O 3.32Å; R124-V160 WeakPolarHBondContact CG-O 3.47Å; R124-V160 PolarHBondContact NH1-O 3.35Å; R124-V192 HydrophobicContact CB-CG1 4.49Å; R124-V192 PolarHBondContact NE-O 2.85Å; R124-D218 IonicContact CZ-OD1 3.71Å; R124-D218 IonicContact CZ-OD2 2.82Å; R124-D218 VanDerWaalsContact CZ-OD2 3.25Å; R124-D218 IonicContact NH1-OD2 3.5Å; R124-D218 PolarHBondContact NH1-OD2 2.92Å; R124-D218 VanDerWaalsContact NH2-CG 3.27Å; R124-D218 IonicContact NH2-OD1 2.77Å; R124-D218 PolarHBondContact NH2-OD1 3.5Å; R124-D218 IonicContact NH2-OD2 3.61Å; R124-D218 PolarHBondContact NH2-OD2 3.14Å |
| 125 | D | 89.9 | Confident | 93.9 | Very high | 86 Ų | 86 | 37.4 Ų | 37.4 | 46% | 0.46 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -114.3 | -19.7 | -174 | 62.7 | -14.7 | 0 | 0 | 0 | 113.4 | S123 T127 R128 | S123-D125 PolarHBondContact OG-N 2.93Å; S123-D125 PolarHBondContact OG-OD1 3.28Å; D125-T127 VanDerWaalsContact C-N 3.29Å; D125-T127 PolarHBondContact OD1-N 2.98Å; D125-T127 VanDerWaalsContact OD1-N 3.09Å; D125-T127 PolarHBondContact OD2-OG1 2.78Å; D125-R128 PolarHBondContact OD1-N 2.91Å; D125-R128 PolarHBondContact OD2-N 2.91Å; D125-R128 VanDerWaalsContact OD2-N 3.15Å |
| 126 | G | 91 | Very high | 93.4 | Very high | 26 Ų | 26 | 43.5 Ų | 43.5 | 27% | 0.268 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 89.7 | -15.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S123 W129 | S123-G126 WeakPolarHBondContact OG-CA 3.48Å; S123-G126 PolarHBondContact OG-N 2.84Å; G126-W129 PolarHBondContact O-NE1 3.28Å |
| 127 | T | 90.6 | Very high | 93.1 | Very high | 121 Ų | 121 | 43.8 Ų | 43.8 | 74% | 0.742 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -100.4 | -43.3 | -178.7 | 30 | 0 | 0 | 0 | 0 | 113.4 | D125 | D125-T127 VanDerWaalsContact C-N 3.29Å; D125-T127 PolarHBondContact OD1-N 2.98Å; D125-T127 VanDerWaalsContact OD1-N 3.09Å; D125-T127 PolarHBondContact OD2-OG1 2.78Å |
| 128 | R | 92.3 | Very high | 92.9 | Very high | 82 Ų | 82 | 46.3 Ų | 46.3 | 31% | 0.309 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -92.3 | 113.1 | 176 | -175.2 | -174.5 | -173.8 | 123.7 | -7.6 | 109.3 | S123 D125 I130 E227 | S123-R128 WeakPolarHBondContact CB-O 3.22Å; S123-R128 PolarHBondContact OG-O 2.83Å; D125-R128 PolarHBondContact OD1-N 2.91Å; D125-R128 PolarHBondContact OD2-N 2.91Å; D125-R128 VanDerWaalsContact OD2-N 3.15Å; R128-I130 HydrophobicContact CG-CG1 4.48Å; R128-E227 IonicContact CZ-OE2 3.55Å; R128-E227 IonicContact NH1-OE2 3.52Å; R128-E227 PolarHBondContact NH1-OE2 3.47Å |
| 129 | W | 93.9 | Very high | 92.7 | Very high | 69 Ų | 69 | 50.4 Ų | 50.4 | 26% | 0.261 | 26% | 0.258 | S | S | . | . | trans | -103.6 | 133.5 | 177.3 | -72 | 84.9 | 0 | 0 | 0 | 111.3 | Q88 N121 G126 F163 R165 | Q88-W129 HydrophobicContact CG-CH2 4.22Å; N121-W129 HydrophobicContact CB-CE3 4.14Å; G126-W129 PolarHBondContact O-NE1 3.28Å; W129-F163 HydrophobicContact CH2-CB 3.52Å; W129-F163 HydrophobicContact CH2-CG 4.42Å; W129-F163 HydrophobicContact CZ2-CB 4.06Å; W129-F163 HydrophobicContact CZ3-CB 4.21Å; W129-R165 HydrophobicContact CE3-CG 4.37Å; W129-R165 HydrophobicContact CH2-CG 3.73Å; W129-R165 VanDerWaalsContact CH2-NE 3.33Å; W129-R165 HydrophobicContact CZ3-CB 4.05Å; W129-R165 HydrophobicContact CZ3-CG 3.54Å | ||
| 130 | I | 94.8 | Very high | 92.6 | Very high | 18 Ų | 18 | 50.6 Ų | 50.6 | 9% | 0.092 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 125.7 | -174 | -56.1 | 178.4 | 0 | 0 | 0 | 108.3 | N121 Y122 R128 D218 | N121-I130 CarbonylContact C-O 3.59Å; N121-I130 VanDerWaalsContact CA-O 3.25Å; N121-I130 WeakPolarHBondContact CA-O 3.34Å; Y122-I130 HydrophobicContact CD1-CB 4.41Å; Y122-I130 VanDerWaalsContact CD1-O 3.31Å; Y122-I130 WeakPolarHBondContact CD1-O 3.1Å; Y122-I130 HydrophobicContact CE1-CB 4.07Å; Y122-I130 HydrophobicContact CE1-CG2 3.81Å; Y122-I130 HydrophobicContact CE2-CB 4.24Å; Y122-I130 HydrophobicContact CE2-CD1 4.24Å; Y122-I130 HydrophobicContact CE2-CG2 4.37Å; Y122-I130 PolarHBondContact N-O 3.43Å; Y122-I130 PolarHBondContact O-N 3.12Å; R128-I130 HydrophobicContact CG-CG1 4.48Å; I130-D218 HydrophobicContact CD1-CB 3.94Å; I130-D218 WeakPolarHBondContact CD1-OD2 3.49Å; I130-D218 HydrophobicContact CG2-CB 4.05Å |
| 131 | S | 94.9 | Very high | 92.4 | Very high | 46 Ų | 46 | 50.8 Ų | 50.8 | 32% | 0.322 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 125.5 | 169.5 | -60.8 | 0 | 0 | 0 | 0 | 110.5 | N121 | N121-S131 VanDerWaalsContact OD1-CA 3.27Å; N121-S131 WeakPolarHBondContact OD1-CA 3.13Å; N121-S131 VanDerWaalsContact OD1-CB 3.31Å; N121-S131 WeakPolarHBondContact OD1-CB 3.34Å; N121-S131 PolarHBondContact OD1-OG 2.87Å |
| 132 | W | 96.1 | Very high | 92.3 | Very high | 11 Ų | 11 | 52.4 Ų | 52.4 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | trans | -63.8 | 147.6 | 173.7 | -178.7 | 86.3 | 0 | 0 | 0 | 111.2 | I120 Y122 N134 Q139 L141 L155 P157 I159 | I120-W132 HydrophobicContact CB-CB 4.18Å; I120-W132 HydrophobicContact CG2-CB 4.35Å; I120-W132 WeakPolarHBondContact O-CB 3.45Å; I120-W132 PolarHBondContact O-N 3.48Å; Y122-W132 HydrophobicContact CD1-CB 4.26Å; Y122-W132 HydrophobicContact CE1-CB 4.04Å; W132-N134 HydrophobicContact CH2-CB 3.39Å; W132-N134 HydrophobicContact CZ2-CB 3.93Å; W132-N134 HydrophobicContact CZ3-CB 3.99Å; W132-Q139 WeakPolarHBondContact O-CA 3.19Å; W132-L141 HydrophobicContact CE3-CD1 4.27Å; W132-L141 HydrophobicContact CE3-CD2 4.14Å; W132-L141 HydrophobicContact CE3-CG 4.14Å; W132-L141 HydrophobicContact CH2-CD2 3.6Å; W132-L141 HydrophobicContact CH2-CG 4.48Å; W132-L141 HydrophobicContact CZ3-CD1 4.25Å; W132-L141 HydrophobicContact CZ3-CD2 3.31Å; W132-L141 HydrophobicContact CZ3-CG 3.77Å; W132-L155 HydrophobicContact CZ2-CD2 4.42Å; W132-P157 PolarHBondContact NE1-O 2.75Å; W132-I159 VanDerWaalsContact CD1-CG2 3.47Å | ||
| 133 | R | 93.6 | Very high | 92 | Very high | 91 Ų | 91 | 52.1 Ų | 52.1 | 34% | 0.343 | 27% | 0.273 | S | S | . | . | trans | -143.7 | 137.4 | 175.7 | 59.1 | -175 | -176.3 | -109.2 | 0.1 | 108.1 | K138 Q139 P157 Y217 | R133-K138 WeakPolarHBondContact CA-O 3.45Å; R133-Q139 HydrophobicContact CB-CG 4.25Å; R133-P157 WeakPolarHBondContact O-CD 3.36Å; R133-Y217 PolarHBondContact NH2-O 2.87Å | ||
| 134 | N | 89.6 | Confident | 91.8 | Very high | 32 Ų | 32 | 52.5 Ų | 52.5 | 17% | 0.171 | 28% | 0.275 | C | S | . | . | trans | -68.8 | 172.7 | 174.3 | 85.8 | -23.2 | 0 | 0 | 0 | 111.3 | W132 H136 G137 K138 E156 | W132-N134 HydrophobicContact CH2-CB 3.39Å; W132-N134 HydrophobicContact CZ2-CB 3.93Å; W132-N134 HydrophobicContact CZ3-CB 3.99Å; N134-H136 PolarHBondContact ND2-CE1 2.81Å; N134-H136 PolarHBondContact ND2-ND1 2.79Å; N134-H136 PolarHBondContact O-N 3.43Å; N134-H136 VanDerWaalsContact OD1-C 3.32Å; N134-H136 WeakPolarHBondContact OD1-CA 3.48Å; N134-H136 WeakPolarHBondContact OD1-CB 3.38Å; N134-H136 PolarHBondContact OD1-N 2.95Å; N134-G137 PolarHBondContact O-N 2.8Å; N134-G137 PolarHBondContact OD1-N 3.36Å; N134-K138 PolarHBondContact N-O 2.8Å; N134-K138 WeakPolarHBondContact OD1-CB 3.38Å; N134-K138 PolarHBondContact OD1-N 3.39Å; N134-E156 CarbonylContact C-O 3.53Å; N134-E156 WeakPolarHBondContact CA-O 3.46Å; N134-E156 WeakPolarHBondContact CB-O 3.32Å | ||
| 135 | R | 86.4 | Confident | 91.7 | Very high | 20 Ų | 20 | 55.8 Ų | 55.8 | 8% | 0.075 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -14.9 | 176.4 | -56.7 | -168.4 | -176.1 | -75.2 | 9.9 | 115.1 | E156 V216 D234 E247 Y254 | R135-E156 PolarHBondContact N-O 2.94Å; R135-E156 VanDerWaalsContact N-O 3.12Å; R135-V216 HydrophobicContact CG-CG1 4.49Å; R135-D234 IonicContact CZ-OD2 2.7Å; R135-D234 IonicContact NH1-OD2 2.77Å; R135-D234 PolarHBondContact NH1-OD2 3.24Å; R135-D234 IonicContact NH2-OD2 3.56Å; R135-D234 PolarHBondContact NH2-OD2 3.42Å; R135-E247 IonicContact CZ-OE1 2.69Å; R135-E247 VanDerWaalsContact NE-CD 3.3Å; R135-E247 IonicContact NE-OE1 3.5Å; R135-E247 PolarHBondContact NE-OE1 2.87Å; R135-E247 IonicContact NH2-OE1 2.86Å; R135-E247 PolarHBondContact NH2-OE1 2.75Å; R135-Y254 WeakPolarHBondContact CD-OH 3.35Å; R135-Y254 WeakPolarHBondContact CG-OH 3.32Å; R135-Y254 PolarHBondContact NH1-OH 2.85Å |
| 136 | H | 85.3 | Confident | 91.6 | Very high | 128 Ų | 128 | 52.6 Ų | 52.6 | 59% | 0.593 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | 2.7 | 176.7 | -52.1 | 95.3 | 0 | 0 | 0 | 114.1 | N134 | N134-H136 PolarHBondContact ND2-CE1 2.81Å; N134-H136 PolarHBondContact ND2-ND1 2.79Å; N134-H136 PolarHBondContact O-N 3.43Å; N134-H136 VanDerWaalsContact OD1-C 3.32Å; N134-H136 WeakPolarHBondContact OD1-CA 3.48Å; N134-H136 WeakPolarHBondContact OD1-CB 3.38Å; N134-H136 PolarHBondContact OD1-N 2.95Å |
| 137 | G | 86.6 | Confident | 91.2 | Very high | 46 Ų | 46 | 52 Ų | 52 | 47% | 0.474 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 86.4 | 0.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | N134 Q139 | N134-G137 PolarHBondContact O-N 2.8Å; N134-G137 PolarHBondContact OD1-N 3.36Å; G137-Q139 PolarHBondContact O-N 2.9Å |
| 138 | K | 90.1 | Very high | 90.9 | Very high | 90 Ų | 90 | 52.2 Ų | 52.2 | 39% | 0.391 | 27% | 0.265 | S | S | . | . | trans | -70.4 | 121.9 | 174.6 | -167.5 | -163.6 | -175.6 | -141.8 | 0 | 109.4 | R133 N134 V140 D142 | R133-K138 WeakPolarHBondContact CA-O 3.45Å; N134-K138 PolarHBondContact N-O 2.8Å; N134-K138 WeakPolarHBondContact OD1-CB 3.38Å; N134-K138 PolarHBondContact OD1-N 3.39Å; K138-V140 VanDerWaalsContact CD-O 3.29Å; K138-V140 WeakPolarHBondContact CD-O 3.4Å; K138-V140 WeakPolarHBondContact CE-O 3.5Å; K138-V140 PolarHBondContact NZ-O 3.27Å; K138-D142 IonicContact NZ-OD1 2.85Å; K138-D142 PolarHBondContact NZ-OD1 3.01Å; K138-D142 IonicContact NZ-OD2 2.95Å; K138-D142 PolarHBondContact NZ-OD2 3.36Å | ||
| 139 | Q | 92.1 | Very high | 90.4 | Very high | 86 Ų | 86 | 51.6 Ų | 51.6 | 40% | 0.402 | 27% | 0.268 | S | S | . | . | trans | -89.5 | -25.7 | 176.4 | -63.5 | 179.5 | -5.8 | 0 | 0 | 113.6 | W132 R133 G137 | W132-Q139 WeakPolarHBondContact O-CA 3.19Å; R133-Q139 HydrophobicContact CB-CG 4.25Å; G137-Q139 PolarHBondContact O-N 2.9Å | ||
| 140 | V | 93.7 | Very high | 90.1 | Very high | 35 Ų | 35 | 51.7 Ų | 51.7 | 21% | 0.212 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -83.7 | 122.4 | -176.5 | -178.5 | 0 | 0 | 0 | 0 | 110 | M117 K119 K138 | M117-V140 HydrophobicContact CB-CG1 3.82Å; M117-V140 HydrophobicContact CG-CG1 4.11Å; M117-V140 HydrophobicContact SD-CG1 3.73Å; K119-V140 HydrophobicContact CG-CG2 4.24Å; K138-V140 VanDerWaalsContact CD-O 3.29Å; K138-V140 WeakPolarHBondContact CD-O 3.4Å; K138-V140 WeakPolarHBondContact CE-O 3.5Å; K138-V140 PolarHBondContact NZ-O 3.27Å |
| 141 | L | 94.3 | Very high | 89.9 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 139.3 | 170 | -68.9 | 173.2 | 0 | 0 | 0 | 109.8 | M117 Y118 I120 W132 K153 L155 | M117-L141 CarbonylContact C-O 3.58Å; M117-L141 VanDerWaalsContact CA-O 3.31Å; M117-L141 WeakPolarHBondContact CA-O 3.35Å; Y118-L141 HydrophobicContact CD1-CB 4.47Å; Y118-L141 HydrophobicContact CD2-CB 4Å; Y118-L141 HydrophobicContact CD2-CD1 4.11Å; Y118-L141 HydrophobicContact CE1-CB 4.19Å; Y118-L141 HydrophobicContact CE2-CB 3.69Å; Y118-L141 HydrophobicContact CE2-CD1 3.46Å; Y118-L141 VanDerWaalsContact CE2-CD1 3.46Å; Y118-L141 HydrophobicContact CE2-CG 4.21Å; Y118-L141 HydrophobicContact CG-CB 4.37Å; Y118-L141 PolarHBondContact N-O 2.91Å; Y118-L141 PolarHBondContact O-N 2.77Å; I120-L141 HydrophobicContact CD1-CD1 3.65Å; I120-L141 HydrophobicContact CG1-CD1 4Å; W132-L141 HydrophobicContact CE3-CD1 4.27Å; W132-L141 HydrophobicContact CE3-CD2 4.14Å; W132-L141 HydrophobicContact CE3-CG 4.14Å; W132-L141 HydrophobicContact CH2-CD2 3.6Å; W132-L141 HydrophobicContact CH2-CG 4.48Å; W132-L141 HydrophobicContact CZ3-CD1 4.25Å; W132-L141 HydrophobicContact CZ3-CD2 3.31Å; W132-L141 HydrophobicContact CZ3-CG 3.77Å; L141-K153 HydrophobicContact CD2-CD 4.39Å; L141-K153 HydrophobicContact CD2-CG 3.81Å; L141-L155 HydrophobicContact CD1-CD2 4.09Å |
| 142 | D | 93.6 | Very high | 89.7 | Confident | 65 Ų | 65 | 56.3 Ų | 56.3 | 35% | 0.348 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 138.3 | 174.6 | -30.7 | -78.1 | 0 | 0 | 0 | 108 | K138 F151 K153 | K138-D142 IonicContact NZ-OD1 2.85Å; K138-D142 PolarHBondContact NZ-OD1 3.01Å; K138-D142 IonicContact NZ-OD2 2.95Å; K138-D142 PolarHBondContact NZ-OD2 3.36Å; D142-F151 WeakPolarHBondContact O-CE1 3.29Å; D142-K153 WeakPolarHBondContact OD2-CE 3.21Å; D142-K153 IonicContact OD2-NZ 2.69Å; D142-K153 PolarHBondContact OD2-NZ 3.01Å |
| 143 | G | 92 | Very high | 89.5 | Confident | 10 Ų | 10 | 58.1 Ų | 58.1 | 10% | 0.103 | 30% | 0.299 | C | S | . | . | trans | -121.1 | -141.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | P116 | P116-G143 WeakPolarHBondContact O-CA 3.34Å; P116-G143 PolarHBondContact O-N 2.79Å | ||
| 144 | N | 93.1 | Very high | 89.3 | Confident | 8 Ų | 8 | 57 Ų | 57 | 4% | 0.043 | 30% | 0.299 | C | S | . | . | trans | -82 | 147.6 | -170.5 | -64.9 | 86.2 | 0 | 0 | 0 | 112.3 | T102 Q103 F114 A115 P116 D149 F151 | T102-N144 VanDerWaalsContact CB-OD1 3.26Å; T102-N144 WeakPolarHBondContact CB-OD1 3.48Å; T102-N144 PolarHBondContact O-ND2 3.2Å; T102-N144 PolarHBondContact O-OD1 3.29Å; T102-N144 PolarHBondContact OG1-OD1 2.61Å; Q103-N144 WeakPolarHBondContact CA-ND2 3.47Å; Q103-N144 PolarHBondContact N-OD1 2.54Å; F114-N144 HydrophobicContact CB-CB 4.18Å; F114-N144 HydrophobicContact CD2-CB 4.18Å; F114-N144 WeakPolarHBondContact CD2-O 3.48Å; F114-N144 WeakPolarHBondContact CE2-O 3.43Å; F114-N144 HydrophobicContact CG-CB 4.46Å; A115-N144 PolarHBondContact O-N 3.04Å; P116-N144 WeakPolarHBondContact CA-O 2.99Å; N144-D149 PolarHBondContact ND2-O 3.19Å; N144-F151 WeakPolarHBondContact ND2-CB 3.37Å | ||
| 145 | S | 90.8 | Very high | 89.4 | Confident | 98 Ų | 98 | 55.6 Ų | 55.6 | 69% | 0.685 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -101.3 | -7 | 172.7 | 59.1 | 0 | 0 | 0 | 0 | 113.5 | F114 | F114-S145 WeakPolarHBondContact CZ-O 3.38Š|
| 146 | N | 88.3 | Confident | 89.6 | Confident | 18 Ų | 18 | 59.6 Ų | 59.6 | 10% | 0.096 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -160.3 | 168.8 | -176.5 | 71.1 | 70.5 | 0 | 0 | 0 | 109.8 | Y148 D149 | N146-Y148 HydrophobicContact CB-CD1 4.45Å; N146-Y148 HydrophobicContact CB-CE1 3.92Å; N146-Y148 WeakPolarHBondContact OD1-CD1 3.48Å; N146-Y148 VanDerWaalsContact OD1-CD2 3.27Å; N146-Y148 WeakPolarHBondContact OD1-CD2 3.15Å; N146-Y148 WeakPolarHBondContact OD1-CE1 3.24Å; N146-Y148 VanDerWaalsContact OD1-CE2 3.28Å; N146-Y148 WeakPolarHBondContact OD1-CE2 3.39Å; N146-Y148 PolarHBondContact OD1-N 3.08Å; N146-D149 PolarHBondContact ND2-OD2 2.99Å; N146-D149 PolarHBondContact OD1-N 3.11Å |
| 147 | P | 83.7 | Confident | 89.9 | Confident | 15 Ų | 15 | 54 Ų | 54 | 10% | 0.097 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -83.7 | -10.8 | -172.5 | 31.6 | -36 | 0 | 0 | 0 | 116.2 | G104 R105 G111 R179 | G104-P147 CarbonylContact C-O 3.57Å; G104-P147 WeakPolarHBondContact CA-O 3.44Å; G104-P147 PolarHBondContact N-O 3.37Å; R105-P147 VanDerWaalsContact O-CB 3.24Å; R105-P147 WeakPolarHBondContact O-CB 3.4Å; G111-P147 WeakPolarHBondContact O-CG 3.5Å; P147-R179 PolarHBondContact O-NH2 2.99Å |
| 148 | Y | 82.8 | Confident | 90.2 | Very high | 124 Ų | 124 | 52.7 Ų | 52.7 | 49% | 0.486 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -109.7 | -36.8 | -169.6 | 52.2 | -97.2 | 0 | 0 | 0 | 113.9 | Q103 N146 | Q103-Y148 PolarHBondContact NE2-O 2.9Å; N146-Y148 HydrophobicContact CB-CD1 4.45Å; N146-Y148 HydrophobicContact CB-CE1 3.92Å; N146-Y148 WeakPolarHBondContact OD1-CD1 3.48Å; N146-Y148 VanDerWaalsContact OD1-CD2 3.27Å; N146-Y148 WeakPolarHBondContact OD1-CD2 3.15Å; N146-Y148 WeakPolarHBondContact OD1-CE1 3.24Å; N146-Y148 VanDerWaalsContact OD1-CE2 3.28Å; N146-Y148 WeakPolarHBondContact OD1-CE2 3.39Å; N146-Y148 PolarHBondContact OD1-N 3.08Å |
| 149 | D | 83.6 | Confident | 90.4 | Very high | 70 Ų | 70 | 48.6 Ų | 48.6 | 37% | 0.374 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -70.3 | 135.9 | -178.8 | -71 | -30.8 | 0 | 0 | 0 | 111.8 | N144 N146 F151 | N144-D149 PolarHBondContact ND2-O 3.19Å; N146-D149 PolarHBondContact ND2-OD2 2.99Å; N146-D149 PolarHBondContact OD1-N 3.11Å; D149-F151 PolarHBondContact O-N 2.78Å |
| 150 | I | 86.8 | Confident | 90.6 | Very high | 71 Ų | 71 | 45 Ų | 45 | 36% | 0.364 | 24% | 0.236 | S | C | . | . | trans | -79.8 | 115.8 | 171.6 | -64.8 | 169.6 | 0 | 0 | 0 | 108.5 | L63 Q103 L152 | L63-I150 HydrophobicContact CD1-CG1 4.25Å; L63-I150 HydrophobicContact CD1-CG2 4.26Å; L63-I150 HydrophobicContact CD2-CD1 4.05Å; L63-I150 HydrophobicContact CD2-CG1 4.33Å; L63-I150 HydrophobicContact CD2-CG2 3.88Å; L63-I150 HydrophobicContact CG-CD1 4.23Å; L63-I150 HydrophobicContact CG-CG1 4.28Å; Q103-I150 HydrophobicContact CB-CG1 4.44Å; Q103-I150 HydrophobicContact CG-CG1 4.21Å; I150-L152 HydrophobicContact CG2-CD2 3.96Å; I150-L152 HydrophobicContact CG2-CG 4.27Å | ||
| 151 | F | 90 | Very high | 90.7 | Very high | 76 Ų | 76 | 43.3 Ų | 43.3 | 33% | 0.333 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 117.5 | 175.1 | -166.9 | -99.6 | 0 | 0 | 0 | 109.9 | G101 T102 D142 N144 D149 K153 | G101-F151 CarbonylContact C-O 3.56Å; G101-F151 WeakPolarHBondContact CA-O 3.44Å; T102-F151 PolarHBondContact N-O 2.61Å; T102-F151 PolarHBondContact O-N 3.47Å; D142-F151 WeakPolarHBondContact O-CE1 3.29Å; N144-F151 WeakPolarHBondContact ND2-CB 3.37Å; D149-F151 PolarHBondContact O-N 2.78Å; F151-K153 HydrophobicContact CE1-CB 4.41Å; F151-K153 HydrophobicContact CE1-CD 4.26Å |
| 152 | L | 90.9 | Very high | 90.8 | Very high | 84 Ų | 84 | 47 Ų | 47 | 44% | 0.44 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 134.2 | 178.6 | -66.9 | -177.2 | 0 | 0 | 0 | 110.3 | L99 V100 I150 Y183 | L99-L152 HydrophobicContact CD1-CB 4.11Å; V100-L152 WeakPolarHBondContact O-CA 3.29Å; I150-L152 HydrophobicContact CG2-CD2 3.96Å; I150-L152 HydrophobicContact CG2-CG 4.27Å; L152-Y183 HydrophobicContact CD2-CE2 3.71Å |
| 153 | K | 91.9 | Very high | 91 | Very high | 50 Ų | 50 | 45.1 Ų | 45.1 | 22% | 0.217 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 116.6 | -176.2 | -170 | 60.2 | 158.1 | -166.4 | 0 | 111.8 | L99 V100 Y118 L141 D142 F151 | L99-K153 VanDerWaalsContact CD1-C 3.47Å; L99-K153 WeakPolarHBondContact CD1-O 3.22Å; V100-K153 HydrophobicContact CG2-CB 4.19Å; V100-K153 PolarHBondContact N-O 2.99Å; V100-K153 PolarHBondContact O-N 3.27Å; Y118-K153 WeakPolarHBondContact OH-CB 3.33Å; L141-K153 HydrophobicContact CD2-CD 4.39Å; L141-K153 HydrophobicContact CD2-CG 3.81Å; D142-K153 WeakPolarHBondContact OD2-CE 3.21Å; D142-K153 IonicContact OD2-NZ 2.69Å; D142-K153 PolarHBondContact OD2-NZ 3.01Å; F151-K153 HydrophobicContact CE1-CB 4.41Å; F151-K153 HydrophobicContact CE1-CD 4.26Å |
| 154 | D | 89.4 | Confident | 91.3 | Very high | 66 Ų | 66 | 44.7 Ų | 44.7 | 35% | 0.353 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 140.2 | 175.8 | -83.8 | -76.5 | 0 | 0 | 0 | 112 | R31 E156 | R31-D154 IonicContact CZ-OD1 2.68Å; R31-D154 IonicContact NH1-OD1 2.87Å; R31-D154 PolarHBondContact NH1-OD1 3.25Å; R31-D154 VanDerWaalsContact NH2-CG 3.33Å; R31-D154 IonicContact NH2-OD1 3.91Å; R31-D154 PolarHBondContact NH2-OD1 2.7Å; R31-D154 IonicContact NH2-OD2 2.82Å; R31-D154 PolarHBondContact NH2-OD2 2.71Å; D154-E156 HydrophobicContact CB-CG 4.47Å |
| 155 | L | 92.4 | Very high | 91.5 | Very high | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 102.7 | 173.3 | -57.3 | -174.5 | 0 | 0 | 0 | 107.9 | I97 T98 V100 I120 W132 L141 P157 P158 I159 | I97-L155 HydrophobicContact CG2-CD1 4.15Å; T98-L155 PolarHBondContact O-N 2.86Å; V100-L155 HydrophobicContact CG1-CD1 4.26Å; V100-L155 HydrophobicContact CG2-CD2 4.39Å; I120-L155 HydrophobicContact CD1-CD2 3.91Å; W132-L155 HydrophobicContact CZ2-CD2 4.42Å; L141-L155 HydrophobicContact CD1-CD2 4.09Å; L155-P157 CarbonylContact C-O 3.55Å; L155-P157 CarbonylContact O-C 3.48Å; L155-P158 WeakPolarHBondContact O-CD 3.25Å; L155-I159 HydrophobicContact CD1-CD1 4.07Å; L155-I159 HydrophobicContact CD1-CG1 4.04Å |
| 156 | E | 89.8 | Confident | 91.8 | Very high | 103 Ų | 103 | 42.4 Ų | 42.4 | 48% | 0.481 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 91 | 176.4 | -66.9 | 170.8 | 174.8 | 0 | 0 | 108.8 | N134 R135 D154 | N134-E156 CarbonylContact C-O 3.53Å; N134-E156 WeakPolarHBondContact CA-O 3.46Å; N134-E156 WeakPolarHBondContact CB-O 3.32Å; R135-E156 PolarHBondContact N-O 2.94Å; R135-E156 VanDerWaalsContact N-O 3.12Å; D154-E156 HydrophobicContact CB-CG 4.47Å |
| 157 | P | 91.4 | Very high | 92.2 | Very high | 10 Ų | 10 | 41.8 Ų | 41.8 | 7% | 0.065 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -82.6 | 160.6 | 11.8 | 37.9 | -41.3 | 0 | 0 | 0 | 114.4 | W132 R133 L155 V216 | W132-P157 PolarHBondContact NE1-O 2.75Å; R133-P157 WeakPolarHBondContact O-CD 3.36Å; L155-P157 CarbonylContact C-O 3.55Å; L155-P157 CarbonylContact O-C 3.48Å; P157-V216 HydrophobicContact CB-CB 4.33Å; P157-V216 HydrophobicContact CB-CG1 4.14Å; P157-V216 HydrophobicContact CB-CG2 4.31Å; P157-V216 HydrophobicContact CG-CB 3.84Å; P157-V216 HydrophobicContact CG-CG1 3.6Å; P157-V216 HydrophobicContact CG-CG2 4.34Å |
| 158 | P | 93.4 | Very high | 92.8 | Very high | 20 Ų | 20 | 41.1 Ų | 41.1 | 13% | 0.13 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 165.8 | 165.2 | -23.4 | 35.2 | 0 | 0 | 0 | 112.4 | P27 F96 I97 T98 L155 | P27-P158 HydrophobicContact CB-CG 4.29Å; P27-P158 HydrophobicContact CG-CG 4.32Å; F96-P158 HydrophobicContact CD1-CB 4.3Å; F96-P158 HydrophobicContact CE1-CB 3.58Å; F96-P158 HydrophobicContact CE1-CG 3.93Å; F96-P158 HydrophobicContact CE2-CB 4.19Å; F96-P158 HydrophobicContact CZ-CB 3.51Å; F96-P158 HydrophobicContact CZ-CG 3.83Å; I97-P158 WeakPolarHBondContact O-CA 3.49Å; I97-P158 WeakPolarHBondContact O-CB 3.21Å; T98-P158 HydrophobicContact CG2-CB 4.35Å; T98-P158 HydrophobicContact CG2-CG 4.42Å; L155-P158 WeakPolarHBondContact O-CD 3.25Å |
| 159 | I | 94.9 | Very high | 93.3 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 143.7 | 177.5 | 60.5 | 178.7 | 0 | 0 | 0 | 112.7 | F96 I97 I120 Y122 W132 L155 A161 | F96-I159 WeakPolarHBondContact CA-O 3.5Å; I97-I159 HydrophobicContact CB-CD1 4.49Å; I97-I159 HydrophobicContact CB-CG1 3.84Å; I97-I159 HydrophobicContact CD1-CD1 4.41Å; I97-I159 HydrophobicContact CD1-CG1 4.38Å; I97-I159 HydrophobicContact CG1-CG1 4.41Å; I97-I159 PolarHBondContact N-O 3Å; I97-I159 PolarHBondContact O-N 3.13Å; I120-I159 HydrophobicContact CG2-CD1 4.36Å; Y122-I159 HydrophobicContact CD1-CD1 4.04Å; Y122-I159 HydrophobicContact CD1-CG2 4.06Å; Y122-I159 HydrophobicContact CD2-CB 4.22Å; Y122-I159 HydrophobicContact CD2-CD1 4.39Å; Y122-I159 HydrophobicContact CD2-CG2 4.47Å; Y122-I159 HydrophobicContact CE1-CB 4.43Å; Y122-I159 HydrophobicContact CE1-CG2 3.67Å; Y122-I159 HydrophobicContact CE2-CB 4.1Å; Y122-I159 HydrophobicContact CE2-CG2 4.1Å; Y122-I159 HydrophobicContact CG-CB 4.42Å; Y122-I159 HydrophobicContact CG-CD1 3.87Å; Y122-I159 HydrophobicContact CG-CG2 4.44Å; W132-I159 VanDerWaalsContact CD1-CG2 3.47Å; L155-I159 HydrophobicContact CD1-CD1 4.07Å; L155-I159 HydrophobicContact CD1-CG1 4.04Å; I159-A161 HydrophobicContact CD1-CB 4.34Å |
| 160 | V | 95.6 | Very high | 93.7 | Very high | 9 Ų | 9 | 33.3 Ų | 33.3 | 6% | 0.055 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 112.3 | 164.3 | 177.8 | 0 | 0 | 0 | 0 | 108.4 | L94 H95 F96 R124 W187 L229 | L94-V160 HydrophobicContact CB-CG1 4.4Å; L94-V160 HydrophobicContact CD2-CG1 4.44Å; H95-V160 WeakPolarHBondContact O-CA 3.28Å; F96-V160 HydrophobicContact CD2-CG2 3.78Å; F96-V160 HydrophobicContact CE2-CG2 4.47Å; R124-V160 WeakPolarHBondContact CD-O 3.32Å; R124-V160 WeakPolarHBondContact CG-O 3.47Å; R124-V160 PolarHBondContact NH1-O 3.35Å; V160-W187 HydrophobicContact CG1-CB 4.4Å; V160-W187 HydrophobicContact CG1-CD2 4.12Å; V160-W187 HydrophobicContact CG1-CG 3.82Å; V160-W187 HydrophobicContact CG2-CD2 3.91Å; V160-W187 HydrophobicContact CG2-CE3 4.08Å; V160-W187 HydrophobicContact CG2-CG 4.43Å; V160-W187 HydrophobicContact CG2-CH2 4.23Å; V160-W187 HydrophobicContact CG2-CZ2 4.07Å; V160-W187 HydrophobicContact CG2-CZ3 4.23Å; V160-L229 HydrophobicContact CB-CD1 3.75Å; V160-L229 HydrophobicContact CG1-CD1 3.99Å; V160-L229 HydrophobicContact CG2-CD1 4.13Å |
| 161 | A | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 155.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L94 H95 I97 Y122 I159 V164 | L94-A161 WeakPolarHBondContact CA-O 3.44Å; H95-A161 PolarHBondContact N-O 2.8Å; H95-A161 PolarHBondContact O-N 2.9Å; I97-A161 HydrophobicContact CD1-CB 4.14Å; Y122-A161 HydrophobicContact CD2-CB 4.02Å; Y122-A161 HydrophobicContact CG-CB 4.38Å; I159-A161 HydrophobicContact CD1-CB 4.34Å; A161-V164 HydrophobicContact CB-CG2 4.04Å |
| 162 | R | 95.5 | Very high | 93.7 | Very high | 82 Ų | 82 | 37.9 Ų | 37.9 | 31% | 0.309 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | -45.1 | 162.2 | 168.4 | 179.1 | 166.1 | 173.5 | -2.9 | 110.3 | D90 L91 H92 L94 S123 | D90-R162 WeakPolarHBondContact OD1-CG 3.22Å; D90-R162 IonicContact OD1-CZ 3.95Å; D90-R162 IonicContact OD1-NE 2.67Å; D90-R162 PolarHBondContact OD1-NE 3.11Å; D90-R162 IonicContact OD1-NH2 2.67Å; D90-R162 IonicContact OD2-CZ 3.35Å; D90-R162 IonicContact OD2-NE 3.24Å; D90-R162 PolarHBondContact OD2-NE 3.21Å; D90-R162 IonicContact OD2-NH2 3.9Å; D90-R162 PolarHBondContact OD2-NH2 2.7Å; L91-R162 WeakPolarHBondContact CB-O 3.29Å; L91-R162 WeakPolarHBondContact CG-O 3.45Å; L91-R162 PolarHBondContact N-O 2.92Å; H92-R162 WeakPolarHBondContact O-CD 3.22Å; H92-R162 PolarHBondContact O-NE 2.69Å; L94-R162 HydrophobicContact CD2-CB 4.16Å; S123-R162 PolarHBondContact O-N 3.03Å |
| 163 | F | 97.9 | Very high | 93.7 | Very high | 26 Ų | 26 | 36.9 Ų | 36.9 | 11% | 0.114 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 138.3 | 178.7 | -53.4 | -93.2 | 0 | 0 | 0 | 110.2 | I89 D90 Y122 S123 W129 | I89-F163 WeakPolarHBondContact O-CA 3.49Å; D90-F163 HydrophobicContact CB-CD1 3.74Å; D90-F163 HydrophobicContact CB-CE1 3.79Å; D90-F163 WeakPolarHBondContact OD2-CE1 3.49Å; Y122-F163 CarbonylContact C-O 3.21Å; Y122-F163 WeakPolarHBondContact CA-O 3.47Å; S123-F163 PolarHBondContact N-O 3.23Å; S123-F163 PolarHBondContact O-N 2.84Å; W129-F163 HydrophobicContact CH2-CB 3.52Å; W129-F163 HydrophobicContact CH2-CG 4.42Å; W129-F163 HydrophobicContact CZ2-CB 4.06Å; W129-F163 HydrophobicContact CZ3-CB 4.21Å |
| 164 | V | 98.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 137.7 | 175.5 | -174.6 | 0 | 0 | 0 | 0 | 109.7 | Q88 I89 I97 I120 A161 F166 L182 | Q88-V164 CarbonylContact C-O 3.17Å; Q88-V164 WeakPolarHBondContact CA-O 3.44Å; I89-V164 PolarHBondContact N-O 2.83Å; I89-V164 PolarHBondContact O-N 2.83Å; I97-V164 HydrophobicContact CD1-CG2 3.64Å; I120-V164 HydrophobicContact CG2-CG1 3.83Å; A161-V164 HydrophobicContact CB-CG2 4.04Å; V164-F166 HydrophobicContact CG1-CE2 4.15Å; V164-L182 HydrophobicContact CB-CD2 3.77Å; V164-L182 HydrophobicContact CG1-CD2 3.87Å; V164-L182 HydrophobicContact CG2-CD2 3.65Å |
| 165 | R | 97.9 | Very high | 93.8 | Very high | 57 Ų | 57 | 36.8 Ų | 36.8 | 22% | 0.215 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 122.9 | 175.5 | -80.2 | 177.8 | -172.5 | -177.9 | 5.6 | 110.4 | F86 L87 Q88 I120 N121 W129 | F86-R165 HydrophobicContact CB-CB 4.19Å; F86-R165 HydrophobicContact CB-CG 4.21Å; F86-R165 HydrophobicContact CD2-CG 3.74Å; F86-R165 HydrophobicContact CE2-CG 4.37Å; F86-R165 HydrophobicContact CG-CG 4.05Å; L87-R165 CarbonylContact O-C 3.58Å; L87-R165 VanDerWaalsContact O-CA 3.27Å; L87-R165 WeakPolarHBondContact O-CA 3.29Å; Q88-R165 HydrophobicContact CB-CG 3.81Å; Q88-R165 HydrophobicContact CG-CG 3.97Å; Q88-R165 VanDerWaalsContact OE1-CZ 3.25Å; I120-R165 WeakPolarHBondContact CA-O 3.26Å; N121-R165 HydrophobicContact CB-CB 4.18Å; N121-R165 PolarHBondContact N-O 3.43Å; N121-R165 PolarHBondContact O-N 3.31Å; W129-R165 HydrophobicContact CE3-CG 4.37Å; W129-R165 HydrophobicContact CH2-CG 3.73Å; W129-R165 VanDerWaalsContact CH2-NE 3.33Å; W129-R165 HydrophobicContact CZ3-CB 4.05Å; W129-R165 HydrophobicContact CZ3-CG 3.54Å |
| 166 | F | 97.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 117.4 | 166.1 | -66.9 | -96.7 | 0 | 0 | 0 | 108.5 | F86 L87 I89 V100 T102 Y118 I120 V164 M178 V180 L182 | F86-F166 CarbonylContact C-O 3.59Å; F86-F166 VanDerWaalsContact CA-O 3.24Å; F86-F166 WeakPolarHBondContact CA-O 3.32Å; L87-F166 PolarHBondContact N-O 2.89Å; L87-F166 PolarHBondContact O-N 3.01Å; I89-F166 HydrophobicContact CD1-CD2 4.46Å; I89-F166 HydrophobicContact CD1-CE2 4.18Å; V100-F166 HydrophobicContact CB-CE1 3.9Å; V100-F166 HydrophobicContact CB-CZ 4Å; V100-F166 HydrophobicContact CG1-CE1 4Å; V100-F166 HydrophobicContact CG1-CZ 3.76Å; V100-F166 HydrophobicContact CG2-CE1 4.16Å; T102-F166 HydrophobicContact CG2-CD1 4.35Å; T102-F166 HydrophobicContact CG2-CE1 4.27Å; Y118-F166 HydrophobicContact CD2-CD1 4.07Å; Y118-F166 HydrophobicContact CE2-CD1 4.12Å; Y118-F166 HydrophobicContact CE2-CE1 4.28Å; I120-F166 HydrophobicContact CD1-CE1 4.21Å; I120-F166 HydrophobicContact CG1-CD1 4.34Å; I120-F166 HydrophobicContact CG1-CE1 4.4Å; V164-F166 HydrophobicContact CG1-CE2 4.15Å; F166-M178 HydrophobicContact CB-CE 4.18Å; F166-M178 HydrophobicContact CD1-CE 4.41Å; F166-V180 HydrophobicContact CB-CG1 4.49Å; F166-V180 HydrophobicContact CD1-CG1 4.02Å; F166-V180 HydrophobicContact CD2-CB 4.27Å; F166-V180 HydrophobicContact CD2-CG1 4.16Å; F166-V180 HydrophobicContact CD2-CG2 3.94Å; F166-V180 HydrophobicContact CE1-CB 4.32Å; F166-V180 HydrophobicContact CE1-CG1 4.24Å; F166-V180 HydrophobicContact CE2-CB 4.04Å; F166-V180 HydrophobicContact CE2-CG1 4.39Å; F166-V180 HydrophobicContact CE2-CG2 3.79Å; F166-V180 HydrophobicContact CG-CG1 3.97Å; F166-V180 HydrophobicContact CZ-CB 4.06Å; F166-V180 HydrophobicContact CZ-CG1 4.42Å; F166-V180 HydrophobicContact CZ-CG2 4.3Å; F166-L182 HydrophobicContact CE2-CD1 4.26Å; F166-L182 HydrophobicContact CE2-CD2 4.33Å; F166-L182 HydrophobicContact CE2-CG 4.22Å; F166-L182 HydrophobicContact CZ-CD2 4.47Å; F166-L182 HydrophobicContact CZ-CG 4.22Å |
| 167 | I | 96.6 | Very high | 94.2 | Very high | 5 Ų | 5 | 32.1 Ų | 32.1 | 3% | 0.026 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 108 | -179.6 | -65.9 | 158.3 | 0 | 0 | 0 | 107.2 | L83 F86 Y118 K119 N121 | L83-I167 HydrophobicContact CB-CG2 4.32Å; L83-I167 HydrophobicContact CD2-CG2 3.9Å; F86-I167 HydrophobicContact CB-CG1 3.87Å; Y118-I167 CarbonylContact C-O 3.57Å; Y118-I167 WeakPolarHBondContact CA-O 3.39Å; Y118-I167 VanDerWaalsContact CB-O 3.25Å; Y118-I167 WeakPolarHBondContact CB-O 3.49Å; K119-I167 HydrophobicContact CB-CB 4.34Å; K119-I167 PolarHBondContact N-O 3.12Å; K119-I167 PolarHBondContact O-N 3.39Å; N121-I167 HydrophobicContact CB-CD1 3.93Å; N121-I167 VanDerWaalsContact CG-CD1 3.45Å; N121-I167 WeakPolarHBondContact ND2-CD1 3.47Å |
| 168 | P | 95.7 | Very high | 94.4 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.013 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 150.3 | 176.7 | 25.9 | -34.5 | 0 | 0 | 0 | 111.7 | V78 A115 V176 M178 | V78-P168 HydrophobicContact CG2-CG 3.99Å; A115-P168 HydrophobicContact CB-CB 4.16Å; P168-V176 HydrophobicContact CB-CB 4.47Å; P168-V176 HydrophobicContact CB-CG2 3.77Å; P168-V176 HydrophobicContact CG-CG2 3.89Å; P168-M178 HydrophobicContact CB-SD 3.98Å; P168-M178 HydrophobicContact CG-SD 4.44Å |
| 169 | V | 93.8 | Very high | 94.5 | Very high | 23 Ų | 23 | 31 Ų | 31 | 14% | 0.139 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 138.3 | 177.8 | 176.6 | 0 | 0 | 0 | 0 | 109.5 | L83 M117 K119 | L83-V169 HydrophobicContact CD2-CG2 4.29Å; M117-V169 HydrophobicContact CB-CB 4.06Å; M117-V169 HydrophobicContact CB-CG1 4.4Å; M117-V169 PolarHBondContact N-O 2.87Å; M117-V169 PolarHBondContact O-N 3.06Å; M117-V169 VanDerWaalsContact O-O 3.13Å; K119-V169 HydrophobicContact CD-CG2 4.17Å; K119-V169 HydrophobicContact CG-CG2 3.96Å |
| 170 | T | 91.4 | Very high | 94.7 | Very high | 6 Ų | 6 | 30.8 Ų | 30.8 | 4% | 0.037 | 15% | 0.154 | C | C | . | . | trans | -136.3 | 146.9 | -173.7 | 59 | 0 | 0 | 0 | 0 | 110.6 | V78 H172 M174 V176 | V78-T170 HydrophobicContact CB-CG2 4.17Å; V78-T170 HydrophobicContact CG1-CG2 4.08Å; V78-T170 PolarHBondContact O-OG1 3.21Å; T170-H172 VanDerWaalsContact C-N 3.29Å; T170-H172 VanDerWaalsContact CB-O 3.25Å; T170-H172 WeakPolarHBondContact CB-O 3.44Å; T170-H172 PolarHBondContact OG1-O 2.97Å; T170-M174 HydrophobicContact CG2-CG 3.51Å; T170-M174 HydrophobicContact CG2-SD 3.8Å; T170-V176 HydrophobicContact CG2-CG1 3.57Å | ||
| 171 | D | 88.3 | Confident | 94.7 | Very high | 127 Ų | 127 | 30.3 Ų | 30.3 | 68% | 0.679 | 15% | 0.152 | S | C | * | . | S | Bend | trans | -81.7 | -11.3 | 173.5 | -64.3 | -55.9 | 0 | 0 | 0 | 112.7 | M117 | M117-D171 WeakPolarHBondContact CE-OD1 3.2Å; M117-D171 WeakPolarHBondContact CE-OD2 3.39Å |
| 172 | H | 88.8 | Confident | 94.7 | Very high | 116 Ų | 116 | 30.3 Ų | 30.3 | 54% | 0.537 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -155.5 | 155.8 | -178.7 | 51.1 | -82.1 | 0 | 0 | 0 | 109.8 | T170 M174 | T170-H172 VanDerWaalsContact C-N 3.29Å; T170-H172 VanDerWaalsContact CB-O 3.25Å; T170-H172 WeakPolarHBondContact CB-O 3.44Å; T170-H172 PolarHBondContact OG1-O 2.97Å; H172-M174 PolarHBondContact O-N 3.32Å |
| 173 | S | 90.9 | Very high | 94.5 | Very high | 63 Ų | 63 | 28 Ų | 28 | 44% | 0.441 | 14% | 0.143 | S | C | . | . | trans | -60.7 | 119.6 | 179 | -174 | 0 | 0 | 0 | 0 | 110.8 | V78 | V78-S173 WeakPolarHBondContact O-CA 3.35Š| ||
| 174 | M | 90.9 | Very high | 94.2 | Very high | 43 Ų | 43 | 26.7 Ų | 26.7 | 21% | 0.212 | 14% | 0.138 | C | C | . | . | B | Isolated β-bridge | trans | -152.7 | 154.8 | -179.6 | 62.2 | 177 | -69.1 | 0 | 0 | 111.8 | V78 P116 T170 H172 V176 | V78-M174 PolarHBondContact N-O 3.1Å; V78-M174 PolarHBondContact O-N 3.22Å; P116-M174 HydrophobicContact CG-SD 4.31Å; T170-M174 HydrophobicContact CG2-CG 3.51Å; T170-M174 HydrophobicContact CG2-SD 3.8Å; H172-M174 PolarHBondContact O-N 3.32Å; M174-V176 HydrophobicContact CE-CG1 4.11Å; M174-V176 HydrophobicContact CG-CG1 3.98Å; M174-V176 PolarHBondContact O-N 2.94Å; M174-V176 HydrophobicContact SD-CG1 4.31Å |
| 175 | N | 92.1 | Very high | 93.7 | Very high | 72 Ų | 72 | 28.1 Ų | 28.1 | 39% | 0.385 | 15% | 0.147 | S | C | . | . | trans | -73.6 | 124.2 | 167.7 | -71.7 | 15.6 | 0 | 0 | 0 | 108.9 | P77 | P77-N175 WeakPolarHBondContact CG-OD1 3.39Š| ||
| 176 | V | 94.4 | Very high | 93.3 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.024 | 16% | 0.158 | C | C | . | . | trans | -115.3 | 150.9 | 174.7 | -61.6 | 0 | 0 | 0 | 0 | 109.5 | P74 V78 P168 T170 M174 | P74-V176 VanDerWaalsContact CD-O 3.25Å; P74-V176 WeakPolarHBondContact CD-O 3.2Å; P74-V176 HydrophobicContact CG-CG2 4.17Å; V78-V176 HydrophobicContact CB-CG2 4.17Å; V78-V176 HydrophobicContact CG2-CG2 3.54Å; P168-V176 HydrophobicContact CB-CB 4.47Å; P168-V176 HydrophobicContact CB-CG2 3.77Å; P168-V176 HydrophobicContact CG-CG2 3.89Å; T170-V176 HydrophobicContact CG2-CG1 3.57Å; M174-V176 HydrophobicContact CE-CG1 4.11Å; M174-V176 HydrophobicContact CG-CG1 3.98Å; M174-V176 PolarHBondContact O-N 2.94Å; M174-V176 HydrophobicContact SD-CG1 4.31Å | ||
| 177 | C | 95.8 | Very high | 93 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 3% | 0.027 | 16% | 0.16 | C | C | . | . | trans | -138 | 148.9 | 169.2 | -61.5 | 0 | 0 | 0 | 0 | 108.7 | A71 W72 C73 R105 E113 F114 A115 | A71-C177 HydrophobicContact CB-CB 3.78Å; W72-C177 CarbonylContact O-C 3.51Å; W72-C177 WeakPolarHBondContact O-CA 3.46Å; W72-C177 WeakPolarHBondContact O-CB 3.42Å; C73-C177 HydrophobicContact CB-CB 4.11Å; C73-C177 WeakPolarHBondContact CB-SG 3.36Å; C73-C177 WeakPolarHBondContact SG-CB 3.43Å; C73-C177 CovalentContact SG-SG 2.04Å; C73-C177 PolarHBondContact SG-SG 2.68Å; R105-C177 HydrophobicContact CB-CB 3.73Å; E113-C177 HydrophobicContact CB-CB 4.1Å; F114-C177 WeakPolarHBondContact CA-O 3.18Å; A115-C177 PolarHBondContact N-O 2.81Å | ||
| 178 | M | 96.1 | Very high | 92.5 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -136 | 138.1 | -178.9 | -57.6 | -175.8 | 73.1 | 0 | 0 | 111.6 | G61 W72 T102 A115 Y118 F166 P168 V180 | G61-M178 WeakPolarHBondContact CA-O 3.41Å; W72-M178 HydrophobicContact CE3-CB 4.08Å; W72-M178 HydrophobicContact CZ3-CB 4.32Å; W72-M178 HydrophobicContact CZ3-CG 4.35Å; W72-M178 HydrophobicContact CZ3-SD 4.27Å; W72-M178 PolarHBondContact N-O 3.34Å; W72-M178 PolarHBondContact O-N 2.92Å; T102-M178 HydrophobicContact CG2-CE 4Å; A115-M178 HydrophobicContact CB-CE 4.04Å; A115-M178 HydrophobicContact CB-CG 3.63Å; A115-M178 HydrophobicContact CB-SD 3.75Å; Y118-M178 HydrophobicContact CD1-CE 4.3Å; Y118-M178 HydrophobicContact CG-CE 4.2Å; F166-M178 HydrophobicContact CB-CE 4.18Å; F166-M178 HydrophobicContact CD1-CE 4.41Å; P168-M178 HydrophobicContact CB-SD 3.98Å; P168-M178 HydrophobicContact CG-SD 4.44Å; M178-V180 HydrophobicContact CB-CG1 4.28Å; M178-V180 HydrophobicContact CE-CG1 4.21Å |
| 179 | R | 96.3 | Very high | 92 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.015 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 136.2 | 159 | -73.6 | -178 | -70.8 | 168.6 | 3.2 | 107.6 | G61 R62 S65 G70 A71 T102 Q103 G104 P147 | G61-R179 CarbonylContact O-C 3.55Å; G61-R179 WeakPolarHBondContact O-CA 3.4Å; R62-R179 WeakPolarHBondContact O-CB 3.29Å; R62-R179 VanDerWaalsContact O-CD 3.3Å; R62-R179 WeakPolarHBondContact O-CD 3.48Å; R62-R179 WeakPolarHBondContact O-CG 3.27Å; S65-R179 WeakPolarHBondContact O-CD 3.39Å; S65-R179 PolarHBondContact O-NH1 3.06Å; G70-R179 VanDerWaalsContact O-CD 3.24Å; G70-R179 WeakPolarHBondContact O-CD 3.41Å; G70-R179 PolarHBondContact O-NE 2.82Å; A71-R179 HydrophobicContact CB-CG 3.95Å; T102-R179 CarbonylContact C-O 3.59Å; T102-R179 WeakPolarHBondContact CA-O 3.47Å; Q103-R179 HydrophobicContact CB-CB 4.16Å; Q103-R179 VanDerWaalsContact CD-NH2 3.3Å; Q103-R179 PolarHBondContact N-O 3.01Å; Q103-R179 PolarHBondContact O-N 3.39Å; G104-R179 PolarHBondContact O-NE 2.84Å; G104-R179 PolarHBondContact O-NH2 2.88Å; P147-R179 PolarHBondContact O-NH2 2.99Å |
| 180 | V | 97.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 156.3 | -171.5 | -51.9 | 0 | 0 | 0 | 0 | 113.4 | M36 G61 L63 L87 I89 G101 T102 F166 M178 | M36-V180 WeakPolarHBondContact CB-O 3.27Å; M36-V180 HydrophobicContact CE-CG2 4.02Å; M36-V180 WeakPolarHBondContact CG-O 3.23Å; G61-V180 PolarHBondContact O-N 3.25Å; L63-V180 PolarHBondContact N-O 3.15Å; L87-V180 HydrophobicContact CD2-CG1 4.26Å; L87-V180 HydrophobicContact CD2-CG2 3.74Å; I89-V180 HydrophobicContact CD1-CG2 3.55Å; G101-V180 CarbonylContact O-C 3.54Å; G101-V180 VanDerWaalsContact O-CA 3.24Å; G101-V180 WeakPolarHBondContact O-CA 3.33Å; T102-V180 HydrophobicContact CG2-CG1 4.24Å; F166-V180 HydrophobicContact CB-CG1 4.49Å; F166-V180 HydrophobicContact CD1-CG1 4.02Å; F166-V180 HydrophobicContact CD2-CB 4.27Å; F166-V180 HydrophobicContact CD2-CG1 4.16Å; F166-V180 HydrophobicContact CD2-CG2 3.94Å; F166-V180 HydrophobicContact CE1-CB 4.32Å; F166-V180 HydrophobicContact CE1-CG1 4.24Å; F166-V180 HydrophobicContact CE2-CB 4.04Å; F166-V180 HydrophobicContact CE2-CG1 4.39Å; F166-V180 HydrophobicContact CE2-CG2 3.79Å; F166-V180 HydrophobicContact CG-CG1 3.97Å; F166-V180 HydrophobicContact CZ-CB 4.06Å; F166-V180 HydrophobicContact CZ-CG1 4.42Å; F166-V180 HydrophobicContact CZ-CG2 4.3Å; M178-V180 HydrophobicContact CB-CG1 4.28Å; M178-V180 HydrophobicContact CE-CG1 4.21Å |
| 181 | E | 96.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 150.1 | 168.1 | -177 | 63.9 | -91.5 | 0 | 0 | 109.3 | P33 G35 M36 S37 L63 V100 G101 Y183 | P33-E181 HydrophobicContact CB-CG 4.17Å; G35-E181 PolarHBondContact N-OE1 2.83Å; G35-E181 VanDerWaalsContact N-OE1 3.11Å; M36-E181 HydrophobicContact CB-CB 4.49Å; M36-E181 WeakPolarHBondContact CB-OE1 3.42Å; M36-E181 PolarHBondContact N-OE1 3.04Å; M36-E181 PolarHBondContact N-OE2 2.88Å; S37-E181 WeakPolarHBondContact CB-OE2 3.07Å; S37-E181 PolarHBondContact N-OE2 3.26Å; S37-E181 PolarHBondContact OG-OE2 3.23Å; L63-E181 HydrophobicContact CB-CB 3.8Å; L63-E181 HydrophobicContact CD2-CB 3.65Å; L63-E181 HydrophobicContact CD2-CG 4.5Å; L63-E181 HydrophobicContact CG-CB 4.28Å; V100-E181 WeakPolarHBondContact CA-O 3.21Å; G101-E181 PolarHBondContact N-O 3.28Å; G101-E181 PolarHBondContact O-N 3.33Å; E181-Y183 HydrophobicContact CB-CE2 3.93Å; E181-Y183 HydrophobicContact CG-CD2 4.31Å; E181-Y183 HydrophobicContact CG-CE1 4.01Å; E181-Y183 HydrophobicContact CG-CE2 3.75Å |
| 182 | L | 96 | Very high | 92 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 141.6 | 172.2 | -58.7 | 98.6 | 0 | 0 | 0 | 109.5 | P33 L34 M36 I89 I97 V164 F166 | P33-L182 WeakPolarHBondContact CA-O 2.97Å; L34-L182 HydrophobicContact CB-CB 4.33Å; L34-L182 HydrophobicContact CD1-CB 3.94Å; L34-L182 HydrophobicContact CG-CB 4.29Å; L34-L182 WeakPolarHBondContact CG-O 3.39Å; L34-L182 PolarHBondContact N-O 2.78Å; M36-L182 HydrophobicContact CG-CD1 4.24Å; I89-L182 HydrophobicContact CB-CD1 4.42Å; I89-L182 HydrophobicContact CD1-CD1 3.62Å; I89-L182 HydrophobicContact CG2-CD1 4.09Å; I97-L182 HydrophobicContact CD1-CD2 3.92Å; I97-L182 HydrophobicContact CG2-CB 4.33Å; I97-L182 HydrophobicContact CG2-CD2 4.32Å; V164-L182 HydrophobicContact CB-CD2 3.77Å; V164-L182 HydrophobicContact CG1-CD2 3.87Å; V164-L182 HydrophobicContact CG2-CD2 3.65Å; F166-L182 HydrophobicContact CE2-CD1 4.26Å; F166-L182 HydrophobicContact CE2-CD2 4.33Å; F166-L182 HydrophobicContact CE2-CG 4.22Å; F166-L182 HydrophobicContact CZ-CD2 4.47Å; F166-L182 HydrophobicContact CZ-CG 4.22Å |
| 183 | Y | 92.6 | Very high | 92.3 | Very high | 32 Ų | 32 | 23 Ų | 23 | 13% | 0.125 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 129.3 | 179.1 | -58.1 | -93 | 0 | 0 | 0 | 110.4 | Y32 P33 I97 T98 L99 L152 E181 | Y32-Y183 CarbonylContact O-C 3.54Å; Y32-Y183 VanDerWaalsContact O-CA 3.26Å; Y32-Y183 WeakPolarHBondContact O-CA 3.32Å; P33-Y183 HydrophobicContact CB-CD1 3.99Å; P33-Y183 HydrophobicContact CB-CE1 3.84Å; I97-Y183 WeakPolarHBondContact CG2-O 3.39Å; T98-Y183 PolarHBondContact N-O 2.83Å; L99-Y183 HydrophobicContact CB-CD2 4.43Å; L99-Y183 HydrophobicContact CD2-CD1 4.39Å; L99-Y183 HydrophobicContact CD2-CD2 3.72Å; L99-Y183 HydrophobicContact CD2-CE2 4.34Å; L99-Y183 HydrophobicContact CD2-CG 3.75Å; L99-Y183 HydrophobicContact CG-CD2 3.79Å; L99-Y183 HydrophobicContact CG-CG 4.15Å; L99-Y183 PolarHBondContact N-O 2.81Å; L99-Y183 WeakPolarHBondContact O-CA 3.34Å; L99-Y183 WeakPolarHBondContact O-CB 2.98Å; L99-Y183 PolarHBondContact O-N 2.77Å; L152-Y183 HydrophobicContact CD2-CE2 3.71Å; E181-Y183 HydrophobicContact CB-CE2 3.93Å; E181-Y183 HydrophobicContact CG-CD2 4.31Å; E181-Y183 HydrophobicContact CG-CE1 4.01Å; E181-Y183 HydrophobicContact CG-CE2 3.75Å |
| 184 | G | 90.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.5 | -151.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | C30 Y32 F96 | C30-G184 CarbonylContact C-O 3.47Å; C30-G184 CarbonylContact O-C 3.19Å; C30-G184 WeakPolarHBondContact O-CA 3.16Å; C30-G184 VanDerWaalsContact SG-C 3.59Å; Y32-G184 PolarHBondContact N-O 2.9Å; Y32-G184 PolarHBondContact O-N 2.77Å; F96-G184 CarbonylContact O-C 3.18Å; F96-G184 WeakPolarHBondContact O-CA 3.4Å |
| 185 | C | 88.2 | Confident | 92.8 | Very high | 31 Ų | 31 | 19.6 Ų | 19.6 | 21% | 0.209 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 164.8 | 168.4 | 65.4 | 0 | 0 | 0 | 0 | 110.7 | C30 Y32 H95 F96 W187 | C30-C185 HydrophobicContact CB-CB 4.08Å; C30-C185 WeakPolarHBondContact CB-SG 3.47Å; C30-C185 WeakPolarHBondContact SG-CB 3.37Å; C30-C185 PolarHBondContact SG-N 3Å; C30-C185 CovalentContact SG-SG 2.04Å; C30-C185 PolarHBondContact SG-SG 3.47Å; Y32-C185 HydrophobicContact CD2-CB 4.22Å; H95-C185 CarbonylContact C-O 3.42Å; H95-C185 WeakPolarHBondContact CA-O 3.29Å; F96-C185 PolarHBondContact N-O 3.1Å; F96-C185 PolarHBondContact O-N 2.8Å; C185-W187 PolarHBondContact O-N 3.41Å |
| 186 | V | 89.9 | Confident | 92.9 | Very high | 72 Ų | 72 | 16.4 Ų | 16.4 | 44% | 0.436 | 9% | 0.092 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 133.7 | 179.7 | -175.5 | 0 | 0 | 0 | 0 | 110.6 | L188 | V186-L188 HydrophobicContact CB-CD2 4.33Å; V186-L188 HydrophobicContact CG1-CD2 4.05Å; V186-L188 PolarHBondContact O-N 2.73Å |
| 187 | W | 90.6 | Very high | 92.9 | Very high | 9 Ų | 9 | 18.1 Ų | 18.1 | 3% | 0.034 | 10% | 0.103 | C | C | . | . | trans | -77.9 | 85 | 177.7 | -175.2 | -122.4 | 0 | 0 | 0 | 110.8 | V25 L94 F96 V160 C185 D189 G190 L191 | V25-W187 HydrophobicContact CB-CZ3 4.42Å; V25-W187 HydrophobicContact CG2-CE3 3.98Å; V25-W187 HydrophobicContact CG2-CZ3 3.79Å; L94-W187 HydrophobicContact CB-CB 3.82Å; L94-W187 HydrophobicContact CB-CG 4.31Å; L94-W187 VanDerWaalsContact O-CB 3.31Å; L94-W187 WeakPolarHBondContact O-CB 3.42Å; L94-W187 PolarHBondContact O-N 2.86Å; F96-W187 HydrophobicContact CB-CE3 3.97Å; F96-W187 AromaticContact CD2-CE3 3.78Å; F96-W187 HydrophobicContact CD2-CE3 3.78Å; F96-W187 HydrophobicContact CD2-CH2 4.41Å; F96-W187 AromaticContact CD2-CZ3 3.54Å; F96-W187 HydrophobicContact CD2-CZ3 3.54Å; F96-W187 HydrophobicContact CE2-CZ3 4.11Å; F96-W187 HydrophobicContact CG-CE3 4.3Å; F96-W187 HydrophobicContact CG-CZ3 4.38Å; V160-W187 HydrophobicContact CG1-CB 4.4Å; V160-W187 HydrophobicContact CG1-CD2 4.12Å; V160-W187 HydrophobicContact CG1-CG 3.82Å; V160-W187 HydrophobicContact CG2-CD2 3.91Å; V160-W187 HydrophobicContact CG2-CE3 4.08Å; V160-W187 HydrophobicContact CG2-CG 4.43Å; V160-W187 HydrophobicContact CG2-CH2 4.23Å; V160-W187 HydrophobicContact CG2-CZ2 4.07Å; V160-W187 HydrophobicContact CG2-CZ3 4.23Å; C185-W187 PolarHBondContact O-N 3.41Å; W187-D189 HydrophobicContact CD2-CB 4.3Å; W187-D189 HydrophobicContact CH2-CB 4.37Å; W187-D189 HydrophobicContact CZ2-CB 3.98Å; W187-D189 PolarHBondContact O-N 3.49Å; W187-G190 PolarHBondContact O-N 2.62Å; W187-L191 HydrophobicContact CZ2-CB 4.38Å; W187-L191 PolarHBondContact NE1-O 2.84Å | ||
| 188 | L | 85.7 | Confident | 92.8 | Very high | 96 Ų | 96 | 19.2 Ų | 19.2 | 50% | 0.503 | 11% | 0.112 | S | C | . | . | S | Bend | trans | -68.4 | -31.2 | -174.3 | -65.2 | -178.4 | 0 | 0 | 0 | 113.7 | V186 G190 R279 | V186-L188 HydrophobicContact CB-CD2 4.33Å; V186-L188 HydrophobicContact CG1-CD2 4.05Å; V186-L188 PolarHBondContact O-N 2.73Å; L188-G190 VanDerWaalsContact C-N 3.34Å; L188-G190 PolarHBondContact O-N 3.15Å; L188-R279 PolarHBondContact O-NH1 3.1Å |
| 189 | D | 85.5 | Confident | 92.6 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -54.8 | -50.3 | 176.1 | -170.2 | -57 | 0 | 0 | 0 | 110.9 | W187 L191 R279 T363 F364 | W187-D189 HydrophobicContact CD2-CB 4.3Å; W187-D189 HydrophobicContact CH2-CB 4.37Å; W187-D189 HydrophobicContact CZ2-CB 3.98Å; W187-D189 PolarHBondContact O-N 3.49Å; D189-L191 PolarHBondContact OD1-N 3.09Å; D189-R279 PolarHBondContact O-NH1 3.05Å; D189-T363 WeakPolarHBondContact OD2-CA 3.18Å; D189-F364 PolarHBondContact OD2-N 2.82Å |
| 190 | G | 87.8 | Confident | 92.4 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | 86.4 | 3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | W187 L188 V192 F275 D276 R279 | W187-G190 PolarHBondContact O-N 2.62Å; L188-G190 VanDerWaalsContact C-N 3.34Å; L188-G190 PolarHBondContact O-N 3.15Å; G190-V192 PolarHBondContact O-N 3.43Å; G190-F275 WeakPolarHBondContact O-CA 3.47Å; G190-D276 PolarHBondContact O-N 3.43Å; G190-R279 VanDerWaalsContact CA-NH2 3.25Å | ||
| 191 | L | 92.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 133 | 172.6 | -164.8 | 74.4 | 0 | 0 | 0 | 111.1 | W187 D189 S193 Y194 L229 T233 F273 E274 F275 F364 | W187-L191 HydrophobicContact CZ2-CB 4.38Å; W187-L191 PolarHBondContact NE1-O 2.84Å; D189-L191 PolarHBondContact OD1-N 3.09Å; L191-S193 WeakPolarHBondContact CD1-O 3.5Å; L191-Y194 HydrophobicContact CD2-CD1 4.03Å; L191-L229 HydrophobicContact CD2-CD2 3.6Å; L191-L229 HydrophobicContact CG-CD2 3.96Å; L191-T233 HydrophobicContact CD2-CG2 3.8Å; L191-F273 HydrophobicContact CD1-CB 3.58Å; L191-F273 HydrophobicContact CD1-CD1 3.9Å; L191-F273 HydrophobicContact CD1-CG 4.24Å; L191-F273 HydrophobicContact CD2-CD1 4.11Å; L191-E274 WeakPolarHBondContact CD1-O 3.19Å; L191-F275 HydrophobicContact CB-CD1 4.2Å; L191-F275 HydrophobicContact CB-CE1 4.05Å; L191-F275 HydrophobicContact CD1-CD1 3.99Å; L191-F275 HydrophobicContact CD1-CD2 4.38Å; L191-F275 HydrophobicContact CD1-CE1 3.56Å; L191-F275 HydrophobicContact CD1-CE2 4Å; L191-F275 HydrophobicContact CD1-CG 4.37Å; L191-F275 HydrophobicContact CD1-CZ 3.57Å; L191-F275 HydrophobicContact CG-CE1 4.43Å; L191-F364 HydrophobicContact CD1-CE2 4.46Å |
| 192 | V | 92.7 | Very high | 91.8 | Very high | 43 Ų | 43 | 28.1 Ų | 28.1 | 26% | 0.261 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | -33.2 | 178.4 | 178 | 0 | 0 | 0 | 0 | 111 | L94 R124 G190 E274 D276 | L94-V192 HydrophobicContact CD1-CG2 4.03Å; R124-V192 HydrophobicContact CB-CG1 4.49Å; R124-V192 PolarHBondContact NE-O 2.85Å; G190-V192 PolarHBondContact O-N 3.43Å; V192-E274 PolarHBondContact N-O 2.96Å; V192-D276 HydrophobicContact CG2-CB 3.74Å |
| 193 | S | 95.1 | Very high | 91.4 | Very high | 7 Ų | 7 | 32.3 Ų | 32.3 | 5% | 0.049 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 155.2 | 177.9 | 59.7 | 0 | 0 | 0 | 0 | 111.4 | L191 G228 E274 | L191-S193 WeakPolarHBondContact CD1-O 3.5Å; S193-G228 CarbonylContact C-O 3.46Å; S193-G228 VanDerWaalsContact CA-O 3.29Å; S193-G228 WeakPolarHBondContact CA-O 3.31Å; S193-E274 PolarHBondContact N-O 3.14Å; S193-E274 PolarHBondContact O-N 2.91Å |
| 194 | Y | 96.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 140.6 | 157.1 | 58.2 | -99 | 0 | 0 | 0 | 111.1 | L191 A196 D214 Y217 M225 G228 L229 G230 Q231 L232 T233 M272 | L191-Y194 HydrophobicContact CD2-CD1 4.03Å; Y194-A196 HydrophobicContact CD2-CB 4.49Å; Y194-D214 PolarHBondContact OH-OD2 2.68Å; Y194-Y217 AromaticContact CD2-CE2 3.85Å; Y194-Y217 HydrophobicContact CD2-CE2 3.85Å; Y194-Y217 AromaticContact CE2-CD2 3.77Å; Y194-Y217 HydrophobicContact CE2-CD2 3.77Å; Y194-Y217 AromaticContact CE2-CE2 3.47Å; Y194-Y217 HydrophobicContact CE2-CE2 3.47Å; Y194-Y217 VanDerWaalsContact CE2-CE2 3.47Å; Y194-Y217 AromaticContact CZ-CD2 3.96Å; Y194-Y217 AromaticContact CZ-CE2 3.93Å; Y194-Y217 PolarHBondContact O-OH 2.91Å; Y194-M225 HydrophobicContact CE2-CE 4.48Å; Y194-G228 PolarHBondContact N-O 3.49Å; Y194-L229 HydrophobicContact CD1-CD2 3.76Å; Y194-L229 HydrophobicContact CE1-CD2 4.1Å; Y194-G230 WeakPolarHBondContact OH-CA 3.38Å; Y194-G230 PolarHBondContact OH-N 3.23Å; Y194-G230 VanDerWaalsContact OH-N 3.08Å; Y194-Q231 PolarHBondContact OH-N 2.82Å; Y194-L232 HydrophobicContact CD2-CD1 4.34Å; Y194-L232 HydrophobicContact CE1-CB 3.93Å; Y194-L232 HydrophobicContact CE2-CB 4.28Å; Y194-L232 HydrophobicContact CE2-CD1 3.88Å; Y194-L232 HydrophobicContact CE2-CG 4.31Å; Y194-L232 PolarHBondContact OH-N 2.72Å; Y194-T233 HydrophobicContact CD1-CG2 4.22Å; Y194-T233 HydrophobicContact CE1-CG2 4.01Å; Y194-M272 CarbonylContact C-O 3.58Å; Y194-M272 WeakPolarHBondContact CA-O 3.45Å |
| 195 | N | 95.9 | Very high | 89.8 | Confident | 34 Ų | 34 | 39.6 Ų | 39.6 | 18% | 0.182 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 125.3 | 173.8 | -63.2 | 0.3 | 0 | 0 | 0 | 108.7 | M225 T226 E227 I271 M272 | N195-M225 CarbonylContact C-O 3.55Å; N195-M225 WeakPolarHBondContact CA-O 3.47Å; N195-T226 HydrophobicContact CB-CG2 4.19Å; N195-T226 WeakPolarHBondContact OD1-CA 3.15Å; N195-E227 PolarHBondContact OD1-N 2.84Å; N195-I271 WeakPolarHBondContact O-CA 3.21Å; N195-M272 HydrophobicContact CB-CB 4.38Å; N195-M272 PolarHBondContact N-O 2.93Å; N195-M272 WeakPolarHBondContact ND2-CE 3.06Å; N195-M272 PolarHBondContact O-N 3.16Å |
| 196 | A | 95.1 | Very high | 88.9 | Confident | 5 Ų | 5 | 41.9 Ų | 41.9 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 161 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y194 S224 M225 I271 | Y194-A196 HydrophobicContact CD2-CB 4.49Å; A196-S224 CarbonylContact O-C 3.57Å; A196-S224 WeakPolarHBondContact O-CA 3.37Å; A196-S224 WeakPolarHBondContact O-CB 3.25Å; A196-M225 HydrophobicContact CB-CE 3.94Å; A196-M225 PolarHBondContact N-O 2.69Å; A196-M225 PolarHBondContact O-N 3.19Å; A196-I271 HydrophobicContact CB-CG1 4.08Å; A196-I271 HydrophobicContact CB-CG2 4.18Å |
| 197 | P | 94.1 | Very high | 88.3 | Confident | 40 Ų | 40 | 40.9 Ų | 40.9 | 26% | 0.26 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 146 | 168.7 | -16.8 | 31.1 | 0 | 0 | 0 | 110.5 | G199 W259 I269 E270 | P197-G199 PolarHBondContact O-N 3.35Å; P197-W259 PolarHBondContact O-NE1 3.38Å; P197-I269 HydrophobicContact CG-CB 4.29Å; P197-E270 WeakPolarHBondContact CD-O 3.46Å |
| 198 | A | 93.1 | Very high | 87.9 | Confident | 28 Ų | 28 | 44.1 Ų | 44.1 | 23% | 0.231 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 135.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y223 M225 | A198-Y223 WeakPolarHBondContact CB-O 3.27Å; A198-Y223 PolarHBondContact N-O 3.12Å; A198-M225 HydrophobicContact CB-CG 4.46Å |
| 199 | G | 91.4 | Very high | 88 | Confident | 16 Ų | 16 | 43.3 Ų | 43.3 | 17% | 0.165 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 153.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P197 L212 | P197-G199 PolarHBondContact O-N 3.35Å; G199-L212 CarbonylContact C-O 3.42Å; G199-L212 VanDerWaalsContact CA-O 3.23Å; G199-L212 WeakPolarHBondContact CA-O 3.46Å |
| 200 | Q | 92.6 | Very high | 88.1 | Confident | 50 Ų | 50 | 43.5 Ų | 43.5 | 23% | 0.234 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 167.6 | -158.5 | -64.1 | 179.2 | -4.8 | 0 | 0 | 113.9 | L212 G258 S263 W356 | Q200-L212 PolarHBondContact N-O 3.04Å; Q200-L212 WeakPolarHBondContact O-CB 3.31Å; Q200-L212 PolarHBondContact O-N 2.89Å; Q200-G258 PolarHBondContact N-O 2.94Å; Q200-S263 PolarHBondContact NE2-OG 2.83Å; Q200-S263 PolarHBondContact OE1-OG 2.84Å; Q200-W356 HydrophobicContact CB-CH2 4.07Å; Q200-W356 HydrophobicContact CB-CZ3 4.03Å |
| 201 | Q | 91.6 | Very high | 88.2 | Confident | 113 Ų | 113 | 48.1 Ų | 48.1 | 53% | 0.528 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 116.8 | 179.6 | -68.8 | 177.7 | 10.7 | 0 | 0 | 111 | I209 I210 Y211 W356 | Q201-I209 HydrophobicContact CB-CG2 3.95Å; Q201-I209 HydrophobicContact CG-CG2 4.13Å; Q201-I210 CarbonylContact C-O 3.48Å; Q201-I210 WeakPolarHBondContact CA-O 3.34Å; Q201-Y211 HydrophobicContact CG-CD1 3.78Å; Q201-Y211 HydrophobicContact CG-CE1 4.05Å; Q201-W356 WeakPolarHBondContact O-CH2 3.33Å |
| 202 | F | 89.9 | Confident | 88.2 | Confident | 13 Ų | 13 | 48.1 Ų | 48.1 | 6% | 0.057 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 124.5 | 173.6 | -171.7 | -67.4 | 0 | 0 | 0 | 109.1 | L204 I210 L212 F242 K294 V296 W356 | F202-L204 HydrophobicContact CD1-CD2 4.49Å; F202-L204 HydrophobicContact CE1-CD2 3.99Å; F202-L204 HydrophobicContact CE1-CG 4.46Å; F202-I210 HydrophobicContact CB-CB 4.11Å; F202-I210 HydrophobicContact CB-CG2 4.26Å; F202-I210 PolarHBondContact N-O 3.46Å; F202-I210 PolarHBondContact O-N 3.03Å; F202-L212 HydrophobicContact CB-CD1 3.82Å; F202-L212 HydrophobicContact CB-CG 4.35Å; F202-L212 HydrophobicContact CD2-CD1 4.31Å; F202-L212 HydrophobicContact CG-CD1 4.49Å; F202-F242 HydrophobicContact CD1-CE2 4.5Å; F202-F242 HydrophobicContact CD2-CE2 4.4Å; F202-F242 HydrophobicContact CD2-CZ 4.41Å; F202-F242 HydrophobicContact CE1-CZ 4.36Å; F202-F242 HydrophobicContact CE2-CE2 4.48Å; F202-F242 HydrophobicContact CE2-CZ 4.05Å; F202-F242 HydrophobicContact CG-CE2 4.44Å; F202-F242 HydrophobicContact CZ-CZ 4.04Å; F202-K294 HydrophobicContact CZ-CB 4.31Å; F202-V296 HydrophobicContact CE2-CG2 4.1Å; F202-W356 HydrophobicContact CB-CH2 4.03Å; F202-W356 HydrophobicContact CB-CZ2 4.06Å; F202-W356 HydrophobicContact CB-CZ3 4.43Å; F202-W356 AromaticContact CD2-CD1 3.87Å; F202-W356 AromaticContact CD2-CD2 3.54Å; F202-W356 HydrophobicContact CD2-CD2 3.54Å; F202-W356 AromaticContact CD2-CE2 3.41Å; F202-W356 VanDerWaalsContact CD2-CE2 3.41Å; F202-W356 HydrophobicContact CD2-CE3 4.03Å; F202-W356 AromaticContact CD2-CG 3.86Å; F202-W356 HydrophobicContact CD2-CG 3.86Å; F202-W356 HydrophobicContact CD2-CH2 4.31Å; F202-W356 AromaticContact CD2-CZ2 3.83Å; F202-W356 HydrophobicContact CD2-CZ2 3.83Å; F202-W356 HydrophobicContact CD2-CZ3 4.39Å; F202-W356 AromaticContact CD2-NE1 3.62Å; F202-W356 HydrophobicContact CE2-CB 4.46Å; F202-W356 AromaticContact CE2-CD1 3.48Å; F202-W356 VanDerWaalsContact CE2-CD1 3.48Å; F202-W356 AromaticContact CE2-CD2 3.96Å; F202-W356 HydrophobicContact CE2-CD2 3.96Å; F202-W356 AromaticContact CE2-CE2 3.86Å; F202-W356 AromaticContact CE2-CG 3.75Å; F202-W356 HydrophobicContact CE2-CG 3.75Å; F202-W356 AromaticContact CE2-NE1 3.55Å; F202-W356 HydrophobicContact CG-CZ2 4.18Å |
| 203 | V | 86.9 | Confident | 88.1 | Confident | 89 Ų | 89 | 48.6 Ų | 48.6 | 54% | 0.539 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 119.3 | -179.4 | -174.7 | 0 | 0 | 0 | 0 | 109.6 | I209 | V203-I209 HydrophobicContact CG2-CG1 4.49Å |
| 204 | L | 80.8 | Confident | 88 | Confident | 47 Ų | 47 | 48.8 Ų | 48.8 | 25% | 0.246 | 31% | 0.306 | C | S | . | . | trans | -75.9 | 152.1 | 178.8 | -78.1 | 170.8 | 0 | 0 | 0 | 112.3 | F202 G206 G207 S208 I210 | F202-L204 HydrophobicContact CD1-CD2 4.49Å; F202-L204 HydrophobicContact CE1-CD2 3.99Å; F202-L204 HydrophobicContact CE1-CG 4.46Å; L204-G206 PolarHBondContact O-N 3.08Å; L204-G207 PolarHBondContact O-N 2.91Å; L204-S208 PolarHBondContact N-O 3.35Å; L204-I210 HydrophobicContact CD1-CD1 3.72Å; L204-I210 HydrophobicContact CD1-CG1 4.38Å; L204-I210 HydrophobicContact CD2-CD1 4.44Å; L204-I210 HydrophobicContact CG-CD1 3.92Å | ||
| 205 | P | 69.8 | Low | 87.6 | Confident | 137 Ų | 137 | 50 Ų | 50 | 89% | 0.89 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 97.5 | 166.4 | -20.6 | 33.3 | 0 | 0 | 0 | 110.6 | ||
| 206 | G | 69.6 | Low | 87.4 | Confident | 79 Ų | 79 | 49 Ų | 49 | 81% | 0.814 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 138.2 | -13.8 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114 | L204 | L204-G206 PolarHBondContact O-N 3.08Š|
| 207 | G | 76.3 | Confident | 87.3 | Confident | 52 Ų | 52 | 48.9 Ų | 48.9 | 54% | 0.536 | 31% | 0.307 | S | S | . | . | S | Bend | trans | 94.8 | -6.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L204 | L204-G207 PolarHBondContact O-N 2.91Š|
| 208 | S | 82.4 | Confident | 87.3 | Confident | 77 Ų | 77 | 47.6 Ų | 47.6 | 54% | 0.538 | 30% | 0.299 | S | S | . | . | trans | -64 | 132.5 | 171.9 | -54.6 | 0 | 0 | 0 | 0 | 111 | L204 | L204-S208 PolarHBondContact N-O 3.35Š| ||
| 209 | I | 86.9 | Confident | 87.2 | Confident | 78 Ų | 78 | 47 Ų | 47 | 40% | 0.4 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 133.6 | 179.2 | -55.6 | 178 | 0 | 0 | 0 | 109.5 | Q201 V203 Y211 | Q201-I209 HydrophobicContact CB-CG2 3.95Å; Q201-I209 HydrophobicContact CG-CG2 4.13Å; V203-I209 HydrophobicContact CG2-CG1 4.49Å; I209-Y211 HydrophobicContact CB-CE2 4.47Å; I209-Y211 HydrophobicContact CG2-CD1 4.42Å; I209-Y211 HydrophobicContact CG2-CE1 4.01Å; I209-Y211 HydrophobicContact CG2-CE2 4.13Å |
| 210 | I | 89 | Confident | 87.1 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.026 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 132.1 | 175 | -70.8 | 178.1 | 0 | 0 | 0 | 107.3 | Q201 F202 L204 L212 F242 T243 P252 | Q201-I210 CarbonylContact C-O 3.48Å; Q201-I210 WeakPolarHBondContact CA-O 3.34Å; F202-I210 HydrophobicContact CB-CB 4.11Å; F202-I210 HydrophobicContact CB-CG2 4.26Å; F202-I210 PolarHBondContact N-O 3.46Å; F202-I210 PolarHBondContact O-N 3.03Å; L204-I210 HydrophobicContact CD1-CD1 3.72Å; L204-I210 HydrophobicContact CD1-CG1 4.38Å; L204-I210 HydrophobicContact CD2-CD1 4.44Å; L204-I210 HydrophobicContact CG-CD1 3.92Å; I210-L212 HydrophobicContact CG2-CD2 3.7Å; I210-L212 HydrophobicContact CG2-CG 4Å; I210-F242 HydrophobicContact CD1-CE2 4.31Å; I210-T243 HydrophobicContact CD1-CG2 3.63Å; I210-P252 HydrophobicContact CG1-CB 4.31Å; I210-P252 WeakPolarHBondContact CG2-O 3.41Å |
| 211 | Y | 90.3 | Very high | 86.9 | Confident | 97 Ų | 97 | 50.6 Ų | 50.6 | 38% | 0.38 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 104.3 | -175.9 | -57.5 | -92.7 | 0 | 0 | 0 | 109.4 | Q201 I209 N213 W251 | Q201-Y211 HydrophobicContact CG-CD1 3.78Å; Q201-Y211 HydrophobicContact CG-CE1 4.05Å; I209-Y211 HydrophobicContact CB-CE2 4.47Å; I209-Y211 HydrophobicContact CG2-CD1 4.42Å; I209-Y211 HydrophobicContact CG2-CE1 4.01Å; I209-Y211 HydrophobicContact CG2-CE2 4.13Å; Y211-N213 VanDerWaalsContact C-N 3.29Å; Y211-N213 WeakPolarHBondContact CB-OD1 3.47Å; Y211-N213 PolarHBondContact O-N 3.31Å; Y211-W251 PolarHBondContact O-NE1 2.86Å |
| 212 | L | 91.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 46.4 | -179.6 | -54.2 | 172.3 | 0 | 0 | 0 | 110.4 | G199 Q200 F202 I210 F242 Y256 V257 G258 W356 M358 | G199-L212 CarbonylContact C-O 3.42Å; G199-L212 VanDerWaalsContact CA-O 3.23Å; G199-L212 WeakPolarHBondContact CA-O 3.46Å; Q200-L212 PolarHBondContact N-O 3.04Å; Q200-L212 WeakPolarHBondContact O-CB 3.31Å; Q200-L212 PolarHBondContact O-N 2.89Å; F202-L212 HydrophobicContact CB-CD1 3.82Å; F202-L212 HydrophobicContact CB-CG 4.35Å; F202-L212 HydrophobicContact CD2-CD1 4.31Å; F202-L212 HydrophobicContact CG-CD1 4.49Å; I210-L212 HydrophobicContact CG2-CD2 3.7Å; I210-L212 HydrophobicContact CG2-CG 4Å; L212-F242 HydrophobicContact CD2-CD2 4.47Å; L212-Y256 CarbonylContact C-O 3.59Å; L212-Y256 VanDerWaalsContact CA-O 3.28Å; L212-Y256 WeakPolarHBondContact CA-O 3.3Å; L212-V257 WeakPolarHBondContact O-CA 3.38Å; L212-G258 PolarHBondContact O-N 3.43Å; L212-W356 HydrophobicContact CD1-CE3 4.19Å; L212-W356 HydrophobicContact CD1-CZ3 4.02Å; L212-M358 HydrophobicContact CD1-CE 3.67Å; L212-M358 HydrophobicContact CD2-CE 4.49Å |
| 213 | N | 91.9 | Very high | 85.9 | Confident | 54 Ų | 54 | 57.2 Ų | 57.2 | 29% | 0.289 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -101.5 | 146.9 | 179.7 | 71.2 | -88.2 | 0 | 0 | 0 | 110.9 | Y211 S215 Q231 | Y211-N213 VanDerWaalsContact C-N 3.29Å; Y211-N213 WeakPolarHBondContact CB-OD1 3.47Å; Y211-N213 PolarHBondContact O-N 3.31Å; N213-S215 PolarHBondContact O-N 2.72Å; N213-S215 VanDerWaalsContact O-N 3.12Å; N213-Q231 PolarHBondContact O-OE1 2.9Å |
| 214 | D | 92.8 | Very high | 86 | Confident | 11 Ų | 11 | 55.6 Ų | 55.6 | 6% | 0.059 | 35% | 0.352 | C | S | . | . | trans | -66.9 | 112.2 | 169.1 | -157.4 | -35.6 | 0 | 0 | 0 | 108.7 | Y194 Y217 M225 Q231 V257 | Y194-D214 PolarHBondContact OH-OD2 2.68Å; D214-Y217 PolarHBondContact OD1-N 3.15Å; D214-Y217 VanDerWaalsContact OD1-N 3.13Å; D214-M225 HydrophobicContact CB-CE 3.93Å; D214-M225 HydrophobicContact CB-SD 3.54Å; D214-M225 VanDerWaalsContact CB-SD 3.54Å; D214-Q231 WeakPolarHBondContact OD1-CG 3.39Å; D214-Q231 PolarHBondContact OD1-N 2.66Å; D214-Q231 PolarHBondContact OD2-N 3.48Å; D214-V257 HydrophobicContact CB-CG2 3.83Å | ||
| 215 | S | 87.2 | Confident | 86.6 | Confident | 26 Ų | 26 | 53.5 Ų | 53.5 | 18% | 0.182 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -88.3 | -32.2 | -172.2 | 63.3 | 0 | 0 | 0 | 0 | 113.1 | N213 Q231 Y254 | N213-S215 PolarHBondContact O-N 2.72Å; N213-S215 VanDerWaalsContact O-N 3.12Å; S215-Q231 PolarHBondContact OG-OE1 2.87Å; S215-Y254 WeakPolarHBondContact OG-CE2 3.07Å; S215-Y254 PolarHBondContact OG-OH 3.04Å |
| 216 | V | 91.2 | Very high | 87.7 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -101.7 | -6 | -175 | -71.6 | 0 | 0 | 0 | 0 | 113 | R135 P157 D218 Q231 | R135-V216 HydrophobicContact CG-CG1 4.49Å; P157-V216 HydrophobicContact CB-CB 4.33Å; P157-V216 HydrophobicContact CB-CG1 4.14Å; P157-V216 HydrophobicContact CB-CG2 4.31Å; P157-V216 HydrophobicContact CG-CB 3.84Å; P157-V216 HydrophobicContact CG-CG1 3.6Å; P157-V216 HydrophobicContact CG-CG2 4.34Å; V216-D218 PolarHBondContact O-N 3.02Å; V216-D218 VanDerWaalsContact O-N 3.15Å; V216-Q231 HydrophobicContact CG2-CG 3.37Å |
| 217 | Y | 94.4 | Very high | 88.7 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | trans | -39.5 | 116.7 | 177.3 | -164.9 | -99.6 | 0 | 0 | 0 | 113.7 | R133 Y194 D214 V221 M225 T226 E227 G228 L229 | R133-Y217 PolarHBondContact NH2-O 2.87Å; Y194-Y217 AromaticContact CD2-CE2 3.85Å; Y194-Y217 HydrophobicContact CD2-CE2 3.85Å; Y194-Y217 AromaticContact CE2-CD2 3.77Å; Y194-Y217 HydrophobicContact CE2-CD2 3.77Å; Y194-Y217 AromaticContact CE2-CE2 3.47Å; Y194-Y217 HydrophobicContact CE2-CE2 3.47Å; Y194-Y217 VanDerWaalsContact CE2-CE2 3.47Å; Y194-Y217 AromaticContact CZ-CD2 3.96Å; Y194-Y217 AromaticContact CZ-CE2 3.93Å; Y194-Y217 PolarHBondContact O-OH 2.91Å; D214-Y217 PolarHBondContact OD1-N 3.15Å; D214-Y217 VanDerWaalsContact OD1-N 3.13Å; Y217-V221 HydrophobicContact CD1-CG2 3.62Å; Y217-V221 HydrophobicContact CE1-CG2 4.4Å; Y217-V221 HydrophobicContact CG-CG2 4.39Å; Y217-M225 HydrophobicContact CD1-CB 4.03Å; Y217-M225 HydrophobicContact CD2-CB 4.38Å; Y217-M225 HydrophobicContact CE1-CB 3.68Å; Y217-M225 HydrophobicContact CE2-CB 4.09Å; Y217-M225 HydrophobicContact CG-CB 4.34Å; Y217-T226 WeakPolarHBondContact OH-CA 3.41Å; Y217-T226 PolarHBondContact OH-N 3.41Å; Y217-T226 PolarHBondContact OH-O 3.36Å; Y217-E227 PolarHBondContact OH-N 3.34Å; Y217-G228 WeakPolarHBondContact CE2-O 3.48Å; Y217-G228 PolarHBondContact OH-N 2.86Å; Y217-G228 PolarHBondContact OH-O 3.02Å; Y217-L229 CarbonylContact C-O 3.54Å; Y217-L229 WeakPolarHBondContact CA-O 3.48Å | ||
| 218 | D | 93.3 | Very high | 89.5 | Confident | 14 Ų | 14 | 47.8 Ų | 47.8 | 8% | 0.075 | 27% | 0.27 | C | S | . | . | trans | -89.3 | -6 | -170.2 | 79.2 | 0.9 | 0 | 0 | 0 | 113.9 | Y122 R124 I130 V216 G228 L229 | Y122-D218 WeakPolarHBondContact OH-CB 3.39Å; Y122-D218 PolarHBondContact OH-OD2 2.93Å; R124-D218 IonicContact CZ-OD1 3.71Å; R124-D218 IonicContact CZ-OD2 2.82Å; R124-D218 VanDerWaalsContact CZ-OD2 3.25Å; R124-D218 IonicContact NH1-OD2 3.5Å; R124-D218 PolarHBondContact NH1-OD2 2.92Å; R124-D218 VanDerWaalsContact NH2-CG 3.27Å; R124-D218 IonicContact NH2-OD1 2.77Å; R124-D218 PolarHBondContact NH2-OD1 3.5Å; R124-D218 IonicContact NH2-OD2 3.61Å; R124-D218 PolarHBondContact NH2-OD2 3.14Å; I130-D218 HydrophobicContact CD1-CB 3.94Å; I130-D218 WeakPolarHBondContact CD1-OD2 3.49Å; I130-D218 HydrophobicContact CG2-CB 4.05Å; V216-D218 PolarHBondContact O-N 3.02Å; V216-D218 VanDerWaalsContact O-N 3.15Å; D218-G228 WeakPolarHBondContact OD1-CA 3.41Å; D218-L229 PolarHBondContact N-O 2.99Å; D218-L229 PolarHBondContact OD1-N 3.49Å | ||
| 219 | G | 91.9 | Very high | 90.1 | Very high | 16 Ų | 16 | 44.6 Ų | 44.6 | 17% | 0.165 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -85.1 | -164.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | T226 | G219-T226 CarbonylContact C-O 3.5Å; G219-T226 WeakPolarHBondContact CA-O 3.44Å |
| 220 | A | 88.9 | Confident | 90.4 | Very high | 46 Ų | 46 | 41.2 Ų | 41.2 | 38% | 0.38 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 128.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | M225 T226 | A220-M225 CarbonylContact O-C 3.59Å; A220-M225 WeakPolarHBondContact O-CA 3.31Å; A220-T226 PolarHBondContact N-O 3.17Å; A220-T226 PolarHBondContact O-N 3.47Å; A220-T226 PolarHBondContact O-OG1 2.76Å |
| 221 | V | 87.1 | Confident | 90.6 | Very high | 94 Ų | 94 | 41.2 Ų | 41.2 | 57% | 0.57 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 122.8 | 179.1 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | Y217 M225 | Y217-V221 HydrophobicContact CD1-CG2 3.62Å; Y217-V221 HydrophobicContact CE1-CG2 4.4Å; Y217-V221 HydrophobicContact CG-CG2 4.39Å; V221-M225 HydrophobicContact CG1-CG 4.48Å |
| 222 | G | 84.3 | Confident | 90.8 | Very high | 52 Ų | 52 | 36.6 Ų | 36.6 | 54% | 0.536 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -141.1 | -126.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110 | S224 | G222-S224 PolarHBondContact N-O 2.93Š|
| 223 | Y | 77.1 | Confident | 90.8 | Very high | 213 Ų | 213 | 36.9 Ų | 36.9 | 84% | 0.835 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -69.2 | -27.4 | 168.3 | -165.5 | -92.3 | 0 | 0 | 0 | 112.1 | A198 | A198-Y223 WeakPolarHBondContact CB-O 3.27Å; A198-Y223 PolarHBondContact N-O 3.12Å |
| 224 | S | 88.4 | Confident | 90.6 | Very high | 55 Ų | 55 | 34.7 Ų | 34.7 | 39% | 0.385 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 159.7 | 167.2 | 51.4 | 0 | 0 | 0 | 0 | 110.3 | A196 G222 | A196-S224 CarbonylContact O-C 3.57Å; A196-S224 WeakPolarHBondContact O-CA 3.37Å; A196-S224 WeakPolarHBondContact O-CB 3.25Å; G222-S224 PolarHBondContact N-O 2.93Å |
| 225 | M | 93.2 | Very high | 90.3 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.015 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 129.5 | 171.1 | -50.9 | -175.4 | -54.7 | 0 | 0 | 106.5 | Y194 N195 A196 A198 D214 Y217 A220 V221 V257 | Y194-M225 HydrophobicContact CE2-CE 4.48Å; N195-M225 CarbonylContact C-O 3.55Å; N195-M225 WeakPolarHBondContact CA-O 3.47Å; A196-M225 HydrophobicContact CB-CE 3.94Å; A196-M225 PolarHBondContact N-O 2.69Å; A196-M225 PolarHBondContact O-N 3.19Å; A198-M225 HydrophobicContact CB-CG 4.46Å; D214-M225 HydrophobicContact CB-CE 3.93Å; D214-M225 HydrophobicContact CB-SD 3.54Å; D214-M225 VanDerWaalsContact CB-SD 3.54Å; Y217-M225 HydrophobicContact CD1-CB 4.03Å; Y217-M225 HydrophobicContact CD2-CB 4.38Å; Y217-M225 HydrophobicContact CE1-CB 3.68Å; Y217-M225 HydrophobicContact CE2-CB 4.09Å; Y217-M225 HydrophobicContact CG-CB 4.34Å; A220-M225 CarbonylContact O-C 3.59Å; A220-M225 WeakPolarHBondContact O-CA 3.31Å; V221-M225 HydrophobicContact CG1-CG 4.48Å; M225-V257 HydrophobicContact CE-CG1 4.28Å |
| 226 | T | 93.1 | Very high | 90.2 | Very high | 41 Ų | 41 | 35.2 Ų | 35.2 | 25% | 0.252 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 146.2 | -173.4 | 49.2 | 0 | 0 | 0 | 0 | 113.6 | N195 Y217 G219 A220 G228 | N195-T226 HydrophobicContact CB-CG2 4.19Å; N195-T226 WeakPolarHBondContact OD1-CA 3.15Å; Y217-T226 WeakPolarHBondContact OH-CA 3.41Å; Y217-T226 PolarHBondContact OH-N 3.41Å; Y217-T226 PolarHBondContact OH-O 3.36Å; G219-T226 CarbonylContact C-O 3.5Å; G219-T226 WeakPolarHBondContact CA-O 3.44Å; A220-T226 PolarHBondContact N-O 3.17Å; A220-T226 PolarHBondContact O-N 3.47Å; A220-T226 PolarHBondContact O-OG1 2.76Å; T226-G228 VanDerWaalsContact C-N 3.34Å; T226-G228 PolarHBondContact O-N 3.14Å |
| 227 | E | 90.2 | Very high | 90.1 | Very high | 108 Ų | 108 | 36.4 Ų | 36.4 | 51% | 0.505 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 60.7 | 33.8 | 172.9 | -53.5 | 177.4 | 156.8 | 0 | 0 | 114.9 | R128 N195 Y217 | R128-E227 IonicContact CZ-OE2 3.55Å; R128-E227 IonicContact NH1-OE2 3.52Å; R128-E227 PolarHBondContact NH1-OE2 3.47Å; N195-E227 PolarHBondContact OD1-N 2.84Å; Y217-E227 PolarHBondContact OH-N 3.34Å |
| 228 | G | 93.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 176.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S193 Y194 Y217 D218 T226 | S193-G228 CarbonylContact C-O 3.46Å; S193-G228 VanDerWaalsContact CA-O 3.29Å; S193-G228 WeakPolarHBondContact CA-O 3.31Å; Y194-G228 PolarHBondContact N-O 3.49Å; Y217-G228 WeakPolarHBondContact CE2-O 3.48Å; Y217-G228 PolarHBondContact OH-N 2.86Å; Y217-G228 PolarHBondContact OH-O 3.02Å; D218-G228 WeakPolarHBondContact OD1-CA 3.41Å; T226-G228 VanDerWaalsContact C-N 3.34Å; T226-G228 PolarHBondContact O-N 3.14Å |
| 229 | L | 95.4 | Very high | 89.5 | Confident | 9 Ų | 9 | 38.6 Ų | 38.6 | 5% | 0.047 | 23% | 0.231 | C | C | . | . | trans | -122.7 | 159.7 | 173.4 | -63.1 | 175.6 | 0 | 0 | 0 | 108.9 | V160 L191 Y194 Y217 D218 | V160-L229 HydrophobicContact CB-CD1 3.75Å; V160-L229 HydrophobicContact CG1-CD1 3.99Å; V160-L229 HydrophobicContact CG2-CD1 4.13Å; L191-L229 HydrophobicContact CD2-CD2 3.6Å; L191-L229 HydrophobicContact CG-CD2 3.96Å; Y194-L229 HydrophobicContact CD1-CD2 3.76Å; Y194-L229 HydrophobicContact CE1-CD2 4.1Å; Y217-L229 CarbonylContact C-O 3.54Å; Y217-L229 WeakPolarHBondContact CA-O 3.48Å; D218-L229 PolarHBondContact N-O 2.99Å; D218-L229 PolarHBondContact OD1-N 3.49Å | ||
| 230 | G | 93.4 | Very high | 89.4 | Confident | 8 Ų | 8 | 41.5 Ų | 41.5 | 8% | 0.082 | 24% | 0.242 | C | C | . | . | trans | -171.8 | -145.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y194 L232 T233 D234 | Y194-G230 WeakPolarHBondContact OH-CA 3.38Å; Y194-G230 PolarHBondContact OH-N 3.23Å; Y194-G230 VanDerWaalsContact OH-N 3.08Å; G230-L232 VanDerWaalsContact C-N 3.26Å; G230-L232 PolarHBondContact O-N 2.96Å; G230-T233 PolarHBondContact O-N 3.01Å; G230-T233 PolarHBondContact O-OG1 2.96Å; G230-T233 VanDerWaalsContact O-OG1 3.08Å; G230-D234 PolarHBondContact O-N 2.88Å | ||
| 231 | Q | 92.8 | Very high | 89.4 | Confident | 5 Ų | 5 | 41 Ų | 41 | 2% | 0.023 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -60.1 | -32.3 | -169.7 | -66.5 | -169.2 | -115.3 | 0 | 0 | 114.1 | Y194 N213 D214 S215 V216 T233 D234 Y254 V257 S360 | Y194-Q231 PolarHBondContact OH-N 2.82Å; N213-Q231 PolarHBondContact O-OE1 2.9Å; D214-Q231 WeakPolarHBondContact OD1-CG 3.39Å; D214-Q231 PolarHBondContact OD1-N 2.66Å; D214-Q231 PolarHBondContact OD2-N 3.48Å; S215-Q231 PolarHBondContact OG-OE1 2.87Å; V216-Q231 HydrophobicContact CG2-CG 3.37Å; Q231-T233 PolarHBondContact O-N 3.04Å; Q231-D234 PolarHBondContact O-N 3.42Å; Q231-Y254 PolarHBondContact NE2-O 3.42Å; Q231-V257 HydrophobicContact CB-CG2 4.34Å; Q231-S360 CarbonylContact C-O 3.53Å |
| 232 | L | 94.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -65.9 | 0.6 | 177.9 | -60 | 179.1 | 0 | 0 | 0 | 114 | Y194 G230 V257 W259 F359 S360 E361 I362 | Y194-L232 HydrophobicContact CD2-CD1 4.34Å; Y194-L232 HydrophobicContact CE1-CB 3.93Å; Y194-L232 HydrophobicContact CE2-CB 4.28Å; Y194-L232 HydrophobicContact CE2-CD1 3.88Å; Y194-L232 HydrophobicContact CE2-CG 4.31Å; Y194-L232 PolarHBondContact OH-N 2.72Å; G230-L232 VanDerWaalsContact C-N 3.26Å; G230-L232 PolarHBondContact O-N 2.96Å; L232-V257 HydrophobicContact CD2-CB 4.04Å; L232-V257 HydrophobicContact CD2-CG2 3.92Å; L232-V257 HydrophobicContact CG-CB 4.4Å; L232-V257 HydrophobicContact CG-CG2 4Å; L232-W259 HydrophobicContact CD1-CH2 4.37Å; L232-F359 HydrophobicContact CD2-CB 3.74Å; L232-F359 WeakPolarHBondContact CD2-O 3.43Å; L232-S360 WeakPolarHBondContact CA-O 3.2Å; L232-E361 CarbonylContact O-C 3.46Å; L232-I362 HydrophobicContact CB-CD1 4.42Å; L232-I362 HydrophobicContact CB-CG1 4.33Å; L232-I362 HydrophobicContact CD1-CD1 4.11Å; L232-I362 PolarHBondContact O-N 2.87Å |
| 233 | T | 92.3 | Very high | 89.5 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -146.4 | 15.8 | -179.3 | 51.4 | 0 | 0 | 0 | 0 | 113.6 | L191 Y194 G230 Q231 G235 | L191-T233 HydrophobicContact CD2-CG2 3.8Å; Y194-T233 HydrophobicContact CD1-CG2 4.22Å; Y194-T233 HydrophobicContact CE1-CG2 4.01Å; G230-T233 PolarHBondContact O-N 3.01Å; G230-T233 PolarHBondContact O-OG1 2.96Å; G230-T233 VanDerWaalsContact O-OG1 3.08Å; Q231-T233 PolarHBondContact O-N 3.04Å; T233-G235 VanDerWaalsContact C-N 3.3Å; T233-G235 PolarHBondContact O-N 2.84Å |
| 234 | D | 86.9 | Confident | 89.8 | Confident | 9 Ų | 9 | 30.8 Ų | 30.8 | 5% | 0.048 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -85.8 | 2.4 | -177.4 | 89.6 | -18.6 | 0 | 0 | 0 | 114 | F96 R135 G230 Q231 V236 | F96-D234 WeakPolarHBondContact CZ-O 3.35Å; R135-D234 IonicContact CZ-OD2 2.7Å; R135-D234 IonicContact NH1-OD2 2.77Å; R135-D234 PolarHBondContact NH1-OD2 3.24Å; R135-D234 IonicContact NH2-OD2 3.56Å; R135-D234 PolarHBondContact NH2-OD2 3.42Å; G230-D234 PolarHBondContact O-N 2.88Å; Q231-D234 PolarHBondContact O-N 3.42Å; D234-V236 VanDerWaalsContact OD1-CB 3.23Å; D234-V236 WeakPolarHBondContact OD1-CB 3.49Å; D234-V236 VanDerWaalsContact OD1-CG2 3.27Å; D234-V236 WeakPolarHBondContact OD1-CG2 3.34Å; D234-V236 PolarHBondContact OD1-N 2.96Å |
| 235 | G | 85.8 | Confident | 89.2 | Confident | 17 Ų | 17 | 30 Ų | 30 | 18% | 0.175 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 86.9 | 1.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | T233 E361 | T233-G235 VanDerWaalsContact C-N 3.3Å; T233-G235 PolarHBondContact O-N 2.84Å; G235-E361 WeakPolarHBondContact CA-OE2 3.36Å; G235-E361 PolarHBondContact N-OE2 2.87Å |
| 236 | V | 86.1 | Confident | 88 | Confident | 31 Ų | 31 | 34.6 Ų | 34.6 | 19% | 0.188 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -98.4 | 117 | -175.8 | -175.3 | 0 | 0 | 0 | 0 | 111.4 | D234 E361 | D234-V236 VanDerWaalsContact OD1-CB 3.23Å; D234-V236 WeakPolarHBondContact OD1-CB 3.49Å; D234-V236 VanDerWaalsContact OD1-CG2 3.27Å; D234-V236 WeakPolarHBondContact OD1-CG2 3.34Å; D234-V236 PolarHBondContact OD1-N 2.96Å; V236-E361 PolarHBondContact N-OE2 3.1Å |
| 237 | S | 88.8 | Confident | 86.8 | Confident | 37 Ų | 37 | 35 Ų | 35 | 26% | 0.259 | 19% | 0.189 | S | C | . | . | P | Polyproline II helix | trans | -90.1 | 118.8 | 171.5 | -56.9 | 0 | 0 | 0 | 0 | 110.1 | H246 F333 | S237-H246 PolarHBondContact O-CE1 2.84Å; S237-H246 PolarHBondContact O-ND1 2.87Å; S237-F333 WeakPolarHBondContact OG-CZ 3.34Å |
| 238 | G | 86.9 | Confident | 85.4 | Confident | 6 Ų | 6 | 38.9 Ų | 38.9 | 6% | 0.062 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -69.5 | 160.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y256 H287 S360 | G238-Y256 PolarHBondContact O-OH 3.34Å; G238-H287 PolarHBondContact O-CE1 3.45Å; G238-H287 VanDerWaalsContact O-CE1 3.31Å; G238-S360 PolarHBondContact N-OG 2.61Å |
| 239 | L | 88.9 | Confident | 84.1 | Confident | 56 Ų | 56 | 47.1 Ų | 47.1 | 29% | 0.293 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -69.2 | 161.9 | -177.5 | -68 | 172.9 | 0 | 0 | 0 | 114.2 | Q244 H246 Y256 N289 | L239-Q244 HydrophobicContact CD1-CB 3.77Å; L239-H246 VanDerWaalsContact CD2-CE1 3.41Å; L239-H246 WeakPolarHBondContact CD2-CE1 3.1Å; L239-H246 WeakPolarHBondContact CD2-NE2 3.41Å; L239-Y256 VanDerWaalsContact O-CE2 3.29Å; L239-Y256 WeakPolarHBondContact O-CE2 3.27Å; L239-Y256 PolarHBondContact O-OH 3.21Å; L239-N289 PolarHBondContact O-ND2 2.98Å |
| 240 | D | 89.8 | Confident | 83.3 | Confident | 76 Ų | 76 | 47.8 Ų | 47.8 | 41% | 0.406 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -56.3 | -47.1 | 171.2 | -83.6 | 0.2 | 0 | 0 | 0 | 112.2 | F242 N289 S330 A331 | D240-F242 PolarHBondContact O-N 3Å; D240-N289 PolarHBondContact O-ND2 3.5Å; D240-S330 VanDerWaalsContact CG-CA 3.48Å; D240-S330 VanDerWaalsContact OD1-CA 3.25Å; D240-S330 WeakPolarHBondContact OD1-CA 3.39Å; D240-S330 WeakPolarHBondContact OD1-CB 3.25Å; D240-S330 WeakPolarHBondContact OD2-CA 3.35Å; D240-S330 WeakPolarHBondContact OD2-CB 3.47Å; D240-S330 PolarHBondContact OD2-OG 2.78Å; D240-A331 PolarHBondContact OD1-N 2.93Å |
| 241 | D | 89.4 | Confident | 82.6 | Confident | 35 Ų | 35 | 51.4 Ų | 51.4 | 19% | 0.187 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -89.7 | 97 | 169.9 | -179.1 | 14 | 0 | 0 | 0 | 109.5 | T243 Q244 M291 K294 | D241-T243 PolarHBondContact O-N 2.83Å; D241-T243 WeakPolarHBondContact OD1-CB 3.38Å; D241-T243 PolarHBondContact OD1-N 2.82Å; D241-T243 VanDerWaalsContact OD1-N 3.1Å; D241-T243 PolarHBondContact OD1-OG1 2.85Å; D241-T243 PolarHBondContact OD2-OG1 3.03Å; D241-Q244 PolarHBondContact O-N 2.73Å; D241-Q244 PolarHBondContact OD2-NE2 2.9Å; D241-M291 HydrophobicContact CB-CE 4.04Å; D241-K294 IonicContact OD1-NZ 2.7Å; D241-K294 PolarHBondContact OD1-NZ 2.67Å |
| 242 | F | 87.8 | Confident | 82.3 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -8.1 | 177.3 | 71 | -93.7 | 0 | 0 | 0 | 114.3 | F202 I210 L212 D240 G253 Y256 M291 K294 V296 M358 | F202-F242 HydrophobicContact CD1-CE2 4.5Å; F202-F242 HydrophobicContact CD2-CE2 4.4Å; F202-F242 HydrophobicContact CD2-CZ 4.41Å; F202-F242 HydrophobicContact CE1-CZ 4.36Å; F202-F242 HydrophobicContact CE2-CE2 4.48Å; F202-F242 HydrophobicContact CE2-CZ 4.05Å; F202-F242 HydrophobicContact CG-CE2 4.44Å; F202-F242 HydrophobicContact CZ-CZ 4.04Å; I210-F242 HydrophobicContact CD1-CE2 4.31Å; L212-F242 HydrophobicContact CD2-CD2 4.47Å; D240-F242 PolarHBondContact O-N 3Å; F242-G253 WeakPolarHBondContact O-CA 3.36Å; F242-G253 PolarHBondContact O-N 3.03Å; F242-Y256 HydrophobicContact CB-CD2 3.66Å; F242-Y256 HydrophobicContact CB-CE2 3.76Å; F242-Y256 HydrophobicContact CB-CG 4.45Å; F242-M291 HydrophobicContact CD1-CB 4.19Å; F242-M291 HydrophobicContact CD1-SD 3.92Å; F242-M291 HydrophobicContact CE1-CB 4.18Å; F242-M291 HydrophobicContact CE1-CG 4.5Å; F242-M291 HydrophobicContact CE1-SD 3.8Å; F242-K294 HydrophobicContact CE1-CB 4.09Å; F242-K294 HydrophobicContact CE1-CD 3.66Å; F242-K294 HydrophobicContact CE1-CG 4.46Å; F242-K294 HydrophobicContact CZ-CB 4.15Å; F242-K294 HydrophobicContact CZ-CD 3.63Å; F242-V296 HydrophobicContact CD1-CG2 4.37Å; F242-V296 HydrophobicContact CE1-CB 4.45Å; F242-V296 HydrophobicContact CE1-CG2 3.63Å; F242-V296 HydrophobicContact CZ-CG2 3.97Å; F242-M358 HydrophobicContact CB-SD 3.66Å; F242-M358 HydrophobicContact CD1-CE 4.12Å; F242-M358 HydrophobicContact CD1-SD 4Å; F242-M358 HydrophobicContact CD2-CE 3.96Å; F242-M358 HydrophobicContact CD2-SD 4.12Å; F242-M358 HydrophobicContact CE1-CE 4.25Å; F242-M358 HydrophobicContact CE2-CE 4.11Å; F242-M358 HydrophobicContact CG-CE 3.97Å; F242-M358 HydrophobicContact CG-SD 3.67Å; F242-M358 HydrophobicContact CZ-CE 4.24Å |
| 243 | T | 84.4 | Confident | 81.7 | Confident | 35 Ų | 35 | 54.5 Ų | 54.5 | 22% | 0.215 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -4.8 | 171.4 | 66.4 | 0 | 0 | 0 | 0 | 113.4 | I210 D241 P252 K294 | I210-T243 HydrophobicContact CD1-CG2 3.63Å; D241-T243 PolarHBondContact O-N 2.83Å; D241-T243 WeakPolarHBondContact OD1-CB 3.38Å; D241-T243 PolarHBondContact OD1-N 2.82Å; D241-T243 VanDerWaalsContact OD1-N 3.1Å; D241-T243 PolarHBondContact OD1-OG1 2.85Å; D241-T243 PolarHBondContact OD2-OG1 3.03Å; T243-P252 WeakPolarHBondContact O-CB 3.36Å; T243-K294 PolarHBondContact OG1-NZ 3.23Å |
| 244 | Q | 83.1 | Confident | 81.6 | Confident | 111 Ų | 111 | 54.3 Ų | 54.3 | 52% | 0.519 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -115.9 | 158.8 | 173.6 | -62.5 | 175.4 | 65.6 | 0 | 0 | 109.7 | L239 D241 | L239-Q244 HydrophobicContact CD1-CB 3.77Å; D241-Q244 PolarHBondContact O-N 2.73Å; D241-Q244 PolarHBondContact OD2-NE2 2.9Å |
| 245 | T | 76.3 | Confident | 81.7 | Confident | 37 Ų | 37 | 54.2 Ų | 54.2 | 23% | 0.227 | 27% | 0.273 | C | S | . | . | trans | -134.4 | 150.2 | -173.6 | 55.4 | 0 | 0 | 0 | 0 | 110.2 | E247 V250 W251 D255 | T245-E247 VanDerWaalsContact C-N 3.34Å; T245-E247 PolarHBondContact OG1-O 3.12Å; T245-V250 HydrophobicContact CG2-CG2 3.94Å; T245-W251 WeakPolarHBondContact CG2-O 3.41Å; T245-D255 WeakPolarHBondContact CA-OD1 3.04Å; T245-D255 WeakPolarHBondContact CB-OD1 3.33Å; T245-D255 WeakPolarHBondContact CG2-OD1 3.38Å | ||
| 246 | H | 68.8 | Low | 82.1 | Confident | 101 Ų | 101 | 53.5 Ų | 53.5 | 47% | 0.468 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -70.6 | -35.1 | 169.6 | -69.8 | 89.7 | 0 | 0 | 0 | 112.1 | S237 L239 D255 | S237-H246 PolarHBondContact O-CE1 2.84Å; S237-H246 PolarHBondContact O-ND1 2.87Å; L239-H246 VanDerWaalsContact CD2-CE1 3.41Å; L239-H246 WeakPolarHBondContact CD2-CE1 3.1Å; L239-H246 WeakPolarHBondContact CD2-NE2 3.41Å; H246-D255 IonicContact CE1-OD2 3.42Å; H246-D255 IonicContact CG-OD2 3.18Å; H246-D255 PolarHBondContact N-OD2 2.99Å; H246-D255 IonicContact ND1-OD2 3.55Å; H246-D255 PolarHBondContact ND1-OD2 3.43Å |
| 247 | E | 68.1 | Low | 82.5 | Confident | 48 Ų | 48 | 52 Ų | 52 | 22% | 0.224 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -79.1 | 144.1 | -174 | -65.1 | -72.3 | -164.9 | 0 | 0 | 112.3 | R135 T245 V250 Y254 | R135-E247 IonicContact CZ-OE1 2.69Å; R135-E247 VanDerWaalsContact NE-CD 3.3Å; R135-E247 IonicContact NE-OE1 3.5Å; R135-E247 PolarHBondContact NE-OE1 2.87Å; R135-E247 IonicContact NH2-OE1 2.86Å; R135-E247 PolarHBondContact NH2-OE1 2.75Å; T245-E247 VanDerWaalsContact C-N 3.34Å; T245-E247 PolarHBondContact OG1-O 3.12Å; E247-V250 HydrophobicContact CB-CG1 3.96Å; E247-V250 HydrophobicContact CB-CG2 3.76Å; E247-Y254 HydrophobicContact CG-CD1 4.48Å; E247-Y254 HydrophobicContact CG-CE1 4.38Å |
| 248 | Y | 60.1 | Low | 82.8 | Confident | 190 Ų | 190 | 50.2 Ų | 50.2 | 75% | 0.745 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -83.2 | 144.4 | 175 | -69.5 | -78.6 | 0 | 0 | 0 | 111.3 | V250 | Y248-V250 PolarHBondContact O-N 2.92Å; Y248-V250 VanDerWaalsContact O-N 3.15Å |
| 249 | H | 66.4 | Low | 83.2 | Confident | 173 Ų | 173 | 50 Ų | 50 | 80% | 0.801 | 24% | 0.241 | S | C | * | . | S | Bend | trans | 61.6 | 14 | 175.7 | -56.9 | -73.1 | 0 | 0 | 0 | 116.9 | ||
| 250 | V | 77.9 | Confident | 83.4 | Confident | 24 Ų | 24 | 52.1 Ų | 52.1 | 15% | 0.145 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -87.5 | 174 | 164.7 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | T245 E247 Y248 Y254 | T245-V250 HydrophobicContact CG2-CG2 3.94Å; E247-V250 HydrophobicContact CB-CG1 3.96Å; E247-V250 HydrophobicContact CB-CG2 3.76Å; Y248-V250 PolarHBondContact O-N 2.92Å; Y248-V250 VanDerWaalsContact O-N 3.15Å; V250-Y254 HydrophobicContact CB-CD1 4.24Å; V250-Y254 HydrophobicContact CB-CD2 3.7Å; V250-Y254 HydrophobicContact CB-CE2 4.37Å; V250-Y254 HydrophobicContact CB-CG 3.65Å; V250-Y254 HydrophobicContact CG1-CD1 4.14Å; V250-Y254 HydrophobicContact CG1-CD2 3.8Å; V250-Y254 HydrophobicContact CG1-CE1 4.31Å; V250-Y254 HydrophobicContact CG1-CE2 3.97Å; V250-Y254 HydrophobicContact CG1-CG 3.91Å; V250-Y254 HydrophobicContact CG2-CD1 4.06Å; V250-Y254 HydrophobicContact CG2-CD2 4.3Å; V250-Y254 HydrophobicContact CG2-CG 3.71Å |
| 251 | W | 80.3 | Confident | 83.6 | Confident | 83 Ų | 83 | 51.1 Ų | 51.1 | 31% | 0.314 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -86.3 | 153.2 | 177.9 | 56.5 | 86.9 | 0 | 0 | 0 | 112.7 | Y211 T245 G253 Y254 | Y211-W251 PolarHBondContact O-NE1 2.86Å; T245-W251 WeakPolarHBondContact CG2-O 3.41Å; W251-G253 PolarHBondContact O-N 2.93Å; W251-Y254 HydrophobicContact CD2-CD2 4.18Å; W251-Y254 AromaticContact CE2-CD2 3.81Å; W251-Y254 HydrophobicContact CE3-CD2 4.35Å; W251-Y254 AromaticContact CH2-CD2 3.91Å; W251-Y254 HydrophobicContact CH2-CD2 3.91Å; W251-Y254 AromaticContact CH2-CE2 3.97Å; W251-Y254 HydrophobicContact CH2-CE2 3.97Å; W251-Y254 AromaticContact CZ2-CD2 3.7Å; W251-Y254 HydrophobicContact CZ2-CD2 3.7Å; W251-Y254 HydrophobicContact CZ2-CE2 4.1Å; W251-Y254 HydrophobicContact CZ3-CD2 4.22Å; W251-Y254 HydrophobicContact CZ3-CE2 4.4Å; W251-Y254 VanDerWaalsContact O-CB 3.29Å; W251-Y254 WeakPolarHBondContact O-CB 3.12Å; W251-Y254 PolarHBondContact O-N 2.87Å |
| 252 | P | 84.7 | Confident | 83.5 | Confident | 70 Ų | 70 | 56 Ų | 56 | 46% | 0.455 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 131.6 | 170.4 | -28.7 | 37.1 | 0 | 0 | 0 | 111.8 | I210 T243 | I210-P252 HydrophobicContact CG1-CB 4.31Å; I210-P252 WeakPolarHBondContact CG2-O 3.41Å; T243-P252 WeakPolarHBondContact O-CB 3.36Å |
| 253 | G | 83.9 | Confident | 83.3 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91 | -4.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | F242 W251 D255 Y256 | F242-G253 WeakPolarHBondContact O-CA 3.36Å; F242-G253 PolarHBondContact O-N 3.03Å; W251-G253 PolarHBondContact O-N 2.93Å; G253-D255 VanDerWaalsContact C-N 3.3Å; G253-D255 PolarHBondContact O-N 3.38Å; G253-Y256 PolarHBondContact O-N 3.15Å; G253-Y256 VanDerWaalsContact O-N 3.11Å |
| 254 | Y | 89.4 | Confident | 83.3 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -47.7 | -177.3 | -177.1 | -92.5 | 0 | 0 | 0 | 113.3 | R135 S215 Q231 E247 V250 W251 Y256 | R135-Y254 WeakPolarHBondContact CD-OH 3.35Å; R135-Y254 WeakPolarHBondContact CG-OH 3.32Å; R135-Y254 PolarHBondContact NH1-OH 2.85Å; S215-Y254 WeakPolarHBondContact OG-CE2 3.07Å; S215-Y254 PolarHBondContact OG-OH 3.04Å; Q231-Y254 PolarHBondContact NE2-O 3.42Å; E247-Y254 HydrophobicContact CG-CD1 4.48Å; E247-Y254 HydrophobicContact CG-CE1 4.38Å; V250-Y254 HydrophobicContact CB-CD1 4.24Å; V250-Y254 HydrophobicContact CB-CD2 3.7Å; V250-Y254 HydrophobicContact CB-CE2 4.37Å; V250-Y254 HydrophobicContact CB-CG 3.65Å; V250-Y254 HydrophobicContact CG1-CD1 4.14Å; V250-Y254 HydrophobicContact CG1-CD2 3.8Å; V250-Y254 HydrophobicContact CG1-CE1 4.31Å; V250-Y254 HydrophobicContact CG1-CE2 3.97Å; V250-Y254 HydrophobicContact CG1-CG 3.91Å; V250-Y254 HydrophobicContact CG2-CD1 4.06Å; V250-Y254 HydrophobicContact CG2-CD2 4.3Å; V250-Y254 HydrophobicContact CG2-CG 3.71Å; W251-Y254 HydrophobicContact CD2-CD2 4.18Å; W251-Y254 AromaticContact CE2-CD2 3.81Å; W251-Y254 HydrophobicContact CE3-CD2 4.35Å; W251-Y254 AromaticContact CH2-CD2 3.91Å; W251-Y254 HydrophobicContact CH2-CD2 3.91Å; W251-Y254 AromaticContact CH2-CE2 3.97Å; W251-Y254 HydrophobicContact CH2-CE2 3.97Å; W251-Y254 AromaticContact CZ2-CD2 3.7Å; W251-Y254 HydrophobicContact CZ2-CD2 3.7Å; W251-Y254 HydrophobicContact CZ2-CE2 4.1Å; W251-Y254 HydrophobicContact CZ3-CD2 4.22Å; W251-Y254 HydrophobicContact CZ3-CE2 4.4Å; W251-Y254 VanDerWaalsContact O-CB 3.29Å; W251-Y254 WeakPolarHBondContact O-CB 3.12Å; W251-Y254 PolarHBondContact O-N 2.87Å; Y254-Y256 PolarHBondContact O-N 2.67Å |
| 255 | D | 89.6 | Confident | 83 | Confident | 7 Ų | 7 | 58.9 Ų | 58.9 | 4% | 0.037 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -1.9 | -176.5 | -57.9 | 22.1 | 0 | 0 | 0 | 114.8 | T245 H246 G253 S360 | T245-D255 WeakPolarHBondContact CA-OD1 3.04Å; T245-D255 WeakPolarHBondContact CB-OD1 3.33Å; T245-D255 WeakPolarHBondContact CG2-OD1 3.38Å; H246-D255 IonicContact CE1-OD2 3.42Å; H246-D255 IonicContact CG-OD2 3.18Å; H246-D255 PolarHBondContact N-OD2 2.99Å; H246-D255 IonicContact ND1-OD2 3.55Å; H246-D255 PolarHBondContact ND1-OD2 3.43Å; G253-D255 VanDerWaalsContact C-N 3.3Å; G253-D255 PolarHBondContact O-N 3.38Å; D255-S360 WeakPolarHBondContact O-CB 3.27Å |
| 256 | Y | 93.6 | Very high | 83.4 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 0% | 0.004 | 31% | 0.305 | C | S | . | . | trans | -135.7 | 131.9 | -172.9 | -76.7 | -81.2 | 0 | 0 | 0 | 114.2 | L212 G238 L239 F242 G253 Y254 N289 A331 M358 | L212-Y256 CarbonylContact C-O 3.59Å; L212-Y256 VanDerWaalsContact CA-O 3.28Å; L212-Y256 WeakPolarHBondContact CA-O 3.3Å; G238-Y256 PolarHBondContact O-OH 3.34Å; L239-Y256 VanDerWaalsContact O-CE2 3.29Å; L239-Y256 WeakPolarHBondContact O-CE2 3.27Å; L239-Y256 PolarHBondContact O-OH 3.21Å; F242-Y256 HydrophobicContact CB-CD2 3.66Å; F242-Y256 HydrophobicContact CB-CE2 3.76Å; F242-Y256 HydrophobicContact CB-CG 4.45Å; G253-Y256 PolarHBondContact O-N 3.15Å; G253-Y256 VanDerWaalsContact O-N 3.11Å; Y254-Y256 PolarHBondContact O-N 2.67Å; Y256-N289 HydrophobicContact CD1-CB 4.39Å; Y256-N289 HydrophobicContact CE1-CB 3.7Å; Y256-N289 PolarHBondContact OH-ND2 3.24Å; Y256-A331 VanDerWaalsContact OH-CB 3.29Å; Y256-A331 WeakPolarHBondContact OH-CB 3.46Å; Y256-M358 HydrophobicContact CD1-CB 4.17Å; Y256-M358 HydrophobicContact CD1-CG 3.76Å; Y256-M358 HydrophobicContact CD1-SD 4.01Å; Y256-M358 HydrophobicContact CD2-SD 4.32Å; Y256-M358 HydrophobicContact CE1-CG 4.28Å; Y256-M358 HydrophobicContact CG-CG 4.2Å; Y256-M358 HydrophobicContact CG-SD 3.88Å | ||
| 257 | V | 95.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 128.4 | 163.1 | -168 | 0 | 0 | 0 | 0 | 108.7 | L212 D214 M225 Q231 L232 W259 M358 F359 | L212-V257 WeakPolarHBondContact O-CA 3.38Å; D214-V257 HydrophobicContact CB-CG2 3.83Å; M225-V257 HydrophobicContact CE-CG1 4.28Å; Q231-V257 HydrophobicContact CB-CG2 4.34Å; L232-V257 HydrophobicContact CD2-CB 4.04Å; L232-V257 HydrophobicContact CD2-CG2 3.92Å; L232-V257 HydrophobicContact CG-CB 4.4Å; L232-V257 HydrophobicContact CG-CG2 4Å; V257-W259 HydrophobicContact CB-CH2 4.19Å; V257-W259 HydrophobicContact CB-CZ2 4.32Å; V257-W259 HydrophobicContact CG1-CH2 3.97Å; V257-W259 HydrophobicContact CG1-CZ2 3.58Å; V257-W259 WeakPolarHBondContact O-CZ3 3.27Å; V257-M358 CarbonylContact O-C 3.57Å; V257-M358 VanDerWaalsContact O-CA 3.22Å; V257-M358 WeakPolarHBondContact O-CA 3.41Å; V257-M358 WeakPolarHBondContact O-CB 3.47Å; V257-F359 PolarHBondContact N-O 3.13Å; V257-F359 PolarHBondContact O-N 2.87Å |
| 258 | G | 95 | Very high | 85.7 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 149.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q200 L212 M357 | Q200-G258 PolarHBondContact N-O 2.94Å; L212-G258 PolarHBondContact O-N 3.43Å; G258-M357 WeakPolarHBondContact CA-O 3.36Å |
| 259 | W | 94.8 | Very high | 87.3 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 150 | -173.2 | -48.7 | -91.2 | 0 | 0 | 0 | 111.3 | P197 L232 V257 I269 I271 F352 W356 M357 F359 | P197-W259 PolarHBondContact O-NE1 3.38Å; L232-W259 HydrophobicContact CD1-CH2 4.37Å; V257-W259 HydrophobicContact CB-CH2 4.19Å; V257-W259 HydrophobicContact CB-CZ2 4.32Å; V257-W259 HydrophobicContact CG1-CH2 3.97Å; V257-W259 HydrophobicContact CG1-CZ2 3.58Å; V257-W259 WeakPolarHBondContact O-CZ3 3.27Å; W259-I269 HydrophobicContact CB-CG2 4.01Å; W259-I269 HydrophobicContact CD2-CD1 3.64Å; W259-I269 HydrophobicContact CD2-CG2 4.3Å; W259-I269 HydrophobicContact CE3-CD1 3.37Å; W259-I269 HydrophobicContact CG-CD1 4.42Å; W259-I269 HydrophobicContact CG-CG2 4Å; W259-I269 HydrophobicContact CH2-CD1 3.78Å; W259-I269 HydrophobicContact CZ2-CD1 4.03Å; W259-I269 HydrophobicContact CZ3-CD1 3.44Å; W259-I269 VanDerWaalsContact CZ3-CD1 3.44Å; W259-I271 HydrophobicContact CH2-CD1 4.18Å; W259-F352 HydrophobicContact CB-CZ 4.15Å; W259-F352 WeakPolarHBondContact O-CE1 3.45Å; W259-W356 VanDerWaalsContact O-CE3 3.23Å; W259-M357 PolarHBondContact N-O 3.32Å; W259-M357 PolarHBondContact O-N 2.94Å; W259-M357 VanDerWaalsContact O-N 3.09Å; W259-F359 AromaticContact CH2-CD2 3.94Å; W259-F359 HydrophobicContact CH2-CD2 3.94Å; W259-F359 HydrophobicContact CH2-CE2 4.49Å; W259-F359 AromaticContact CZ3-CD2 3.68Å; W259-F359 HydrophobicContact CZ3-CD2 3.68Å; W259-F359 HydrophobicContact CZ3-CE2 4.05Å; W259-F359 HydrophobicContact CZ3-CG 4.14Å |
| 260 | R | 93.6 | Very high | 88.7 | Confident | 101 Ų | 101 | 44.7 Ų | 44.7 | 38% | 0.381 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 135 | 177.7 | -170.9 | 177.7 | 176.2 | 174 | -5.9 | 111.5 | E262 S263 T355 W356 | R260-E262 VanDerWaalsContact C-N 3.3Å; R260-E262 HydrophobicContact CG-CB 4.39Å; R260-E262 IonicContact CZ-OE1 2.73Å; R260-E262 IonicContact CZ-OE2 2.66Å; R260-E262 VanDerWaalsContact NE-CD 3.28Å; R260-E262 IonicContact NE-OE1 2.63Å; R260-E262 PolarHBondContact NE-OE1 2.73Å; R260-E262 IonicContact NE-OE2 2.72Å; R260-E262 PolarHBondContact NE-OE2 2.82Å; R260-E262 IonicContact NH2-OE1 3.22Å; R260-E262 PolarHBondContact NH2-OE1 2.94Å; R260-E262 IonicContact NH2-OE2 3.4Å; R260-E262 PolarHBondContact NH2-OE2 2.93Å; R260-E262 PolarHBondContact O-N 3.42Å; R260-S263 WeakPolarHBondContact O-CB 3.48Å; R260-S263 PolarHBondContact O-N 3.41Å; R260-S263 PolarHBondContact O-OG 2.04Å; R260-T355 WeakPolarHBondContact CA-O 3.49Å; R260-T355 HydrophobicContact CG-CG2 4.48Å; R260-W356 HydrophobicContact CB-CD2 4.03Å; R260-W356 HydrophobicContact CB-CE3 4.13Å; R260-W356 HydrophobicContact CB-CH2 3.96Å; R260-W356 HydrophobicContact CB-CZ2 3.85Å; R260-W356 HydrophobicContact CB-CZ3 4.1Å; R260-W356 HydrophobicContact CG-CD2 4.35Å; R260-W356 HydrophobicContact CG-CZ2 4.14Å |
| 261 | N | 92.5 | Very high | 89.6 | Confident | 54 Ų | 54 | 43.6 Ų | 43.6 | 29% | 0.289 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -54.8 | -41.8 | -177 | -168.6 | -6.4 | 0 | 0 | 0 | 113 | S263 A264 F352 D354 T355 | N261-S263 PolarHBondContact O-N 2.77Å; N261-S263 VanDerWaalsContact O-N 3.08Å; N261-A264 PolarHBondContact O-N 3.25Å; N261-F352 HydrophobicContact CB-CB 4.03Å; N261-F352 HydrophobicContact CB-CD1 3.7Å; N261-F352 HydrophobicContact CB-CD2 4.12Å; N261-F352 HydrophobicContact CB-CE1 4.14Å; N261-F352 HydrophobicContact CB-CG 3.69Å; N261-F352 VanDerWaalsContact CG-CB 3.49Å; N261-F352 WeakPolarHBondContact ND2-CB 3.39Å; N261-D354 WeakPolarHBondContact CB-O 3.25Å; N261-D354 PolarHBondContact ND2-O 3.41Å; N261-T355 WeakPolarHBondContact CB-O 3.47Å; N261-T355 PolarHBondContact N-O 2.84Å |
| 262 | E | 88.1 | Confident | 90.3 | Very high | 137 Ų | 137 | 41.4 Ų | 41.4 | 64% | 0.64 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -58.1 | -21.9 | 176.3 | -71.8 | 161.1 | -115.2 | 0 | 0 | 114.8 | R260 | R260-E262 VanDerWaalsContact C-N 3.3Å; R260-E262 HydrophobicContact CG-CB 4.39Å; R260-E262 IonicContact CZ-OE1 2.73Å; R260-E262 IonicContact CZ-OE2 2.66Å; R260-E262 VanDerWaalsContact NE-CD 3.28Å; R260-E262 IonicContact NE-OE1 2.63Å; R260-E262 PolarHBondContact NE-OE1 2.73Å; R260-E262 IonicContact NE-OE2 2.72Å; R260-E262 PolarHBondContact NE-OE2 2.82Å; R260-E262 IonicContact NH2-OE1 3.22Å; R260-E262 PolarHBondContact NH2-OE1 2.94Å; R260-E262 IonicContact NH2-OE2 3.4Å; R260-E262 PolarHBondContact NH2-OE2 2.93Å; R260-E262 PolarHBondContact O-N 3.42Å |
| 263 | S | 84.3 | Confident | 90.9 | Very high | 51 Ų | 51 | 38 Ų | 38 | 36% | 0.357 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -83.5 | -17.9 | 177.3 | 73 | 0 | 0 | 0 | 0 | 113.6 | Q200 R260 N261 | Q200-S263 PolarHBondContact NE2-OG 2.83Å; Q200-S263 PolarHBondContact OE1-OG 2.84Å; R260-S263 WeakPolarHBondContact O-CB 3.48Å; R260-S263 PolarHBondContact O-N 3.41Å; R260-S263 PolarHBondContact O-OG 2.04Å; N261-S263 PolarHBondContact O-N 2.77Å; N261-S263 VanDerWaalsContact O-N 3.08Å |
| 264 | A | 84.3 | Confident | 91.4 | Very high | 19 Ų | 19 | 40.8 Ų | 40.8 | 16% | 0.157 | 21% | 0.214 | C | C | . | . | trans | -96.5 | 100.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | N261 N266 G267 Y268 F352 | N261-A264 PolarHBondContact O-N 3.25Å; A264-N266 PolarHBondContact O-N 2.98Å; A264-G267 PolarHBondContact O-N 3.08Å; A264-Y268 WeakPolarHBondContact CB-O 3.03Å; A264-F352 HydrophobicContact CB-CD2 4.42Å; A264-F352 HydrophobicContact CB-CE2 3.64Å; A264-F352 HydrophobicContact CB-CZ 4.4Å | ||
| 265 | T | 76.9 | Confident | 91.6 | Very high | 138 Ų | 138 | 41.5 Ų | 41.5 | 85% | 0.847 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -26.3 | -176.4 | 57.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 266 | N | 83.8 | Confident | 91.6 | Very high | 98 Ų | 98 | 43.2 Ų | 43.2 | 52% | 0.524 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 4.5 | -175.3 | -54.5 | 1.9 | 0 | 0 | 0 | 113 | A264 Y268 | A264-N266 PolarHBondContact O-N 2.98Å; N266-Y268 VanDerWaalsContact C-N 3.3Å; N266-Y268 HydrophobicContact CB-CD1 3.7Å; N266-Y268 HydrophobicContact CB-CE1 3.26Å; N266-Y268 PolarHBondContact ND2-OH 2.91Å; N266-Y268 WeakPolarHBondContact O-CD1 3.29Å; N266-Y268 PolarHBondContact O-N 3.25Å |
| 267 | G | 90.3 | Very high | 91.4 | Very high | 22 Ų | 22 | 48.4 Ų | 48.4 | 23% | 0.227 | 25% | 0.246 | C | C | . | . | S | Bend | trans | 70.4 | 21.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | A264 F352 | A264-G267 PolarHBondContact O-N 3.08Å; G267-F352 PolarHBondContact O-N 2.98Å |
| 268 | Y | 94.2 | Very high | 91.2 | Very high | 54 Ų | 54 | 50.4 Ų | 50.4 | 21% | 0.212 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 157 | 171.4 | 61.6 | -98.1 | 0 | 0 | 0 | 111.4 | A264 N266 E270 Q349 Y350 H351 | A264-Y268 WeakPolarHBondContact CB-O 3.03Å; N266-Y268 VanDerWaalsContact C-N 3.3Å; N266-Y268 HydrophobicContact CB-CD1 3.7Å; N266-Y268 HydrophobicContact CB-CE1 3.26Å; N266-Y268 PolarHBondContact ND2-OH 2.91Å; N266-Y268 WeakPolarHBondContact O-CD1 3.29Å; N266-Y268 PolarHBondContact O-N 3.25Å; Y268-E270 HydrophobicContact CD2-CB 4.5Å; Y268-E270 HydrophobicContact CE2-CB 4.3Å; Y268-Q349 HydrophobicContact CD2-CB 3.75Å; Y268-Q349 HydrophobicContact CD2-CG 3.83Å; Y268-Q349 HydrophobicContact CE2-CB 4.11Å; Y268-Q349 HydrophobicContact CE2-CG 3.67Å; Y268-Q349 HydrophobicContact CG-CB 4.16Å; Y268-Q349 PolarHBondContact OH-NE2 3.19Å; Y268-Y350 WeakPolarHBondContact CA-O 3.36Å; Y268-Y350 VanDerWaalsContact CB-O 3.24Å; Y268-Y350 WeakPolarHBondContact CB-O 3.18Å; Y268-H351 AromaticContact CD1-CE1 3.52Å; Y268-H351 AromaticContact CD1-ND1 3.91Å |
| 269 | I | 95.1 | Very high | 91 | Very high | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 148.7 | 159.2 | 70 | 178.4 | 0 | 0 | 0 | 109.4 | P197 W259 I271 Q349 Y350 F352 M357 F359 | P197-I269 HydrophobicContact CG-CB 4.29Å; W259-I269 HydrophobicContact CB-CG2 4.01Å; W259-I269 HydrophobicContact CD2-CD1 3.64Å; W259-I269 HydrophobicContact CD2-CG2 4.3Å; W259-I269 HydrophobicContact CE3-CD1 3.37Å; W259-I269 HydrophobicContact CG-CD1 4.42Å; W259-I269 HydrophobicContact CG-CG2 4Å; W259-I269 HydrophobicContact CH2-CD1 3.78Å; W259-I269 HydrophobicContact CZ2-CD1 4.03Å; W259-I269 HydrophobicContact CZ3-CD1 3.44Å; W259-I269 VanDerWaalsContact CZ3-CD1 3.44Å; I269-I271 HydrophobicContact CD1-CD1 4.07Å; I269-I271 HydrophobicContact CD1-CG1 4.27Å; I269-I271 HydrophobicContact CG1-CG1 4.49Å; I269-Q349 CarbonylContact O-C 3.59Å; I269-Q349 WeakPolarHBondContact O-CA 3.29Å; I269-Y350 HydrophobicContact CG1-CD2 4.15Å; I269-Y350 PolarHBondContact N-O 3.17Å; I269-Y350 VanDerWaalsContact N-O 3.07Å; I269-Y350 PolarHBondContact O-N 2.95Å; I269-F352 HydrophobicContact CG2-CE2 3.87Å; I269-F352 HydrophobicContact CG2-CZ 3.74Å; I269-M357 HydrophobicContact CD1-CE 3.76Å; I269-M357 HydrophobicContact CG1-CE 3.71Å; I269-M357 HydrophobicContact CG2-CE 4.24Å; I269-F359 HydrophobicContact CD1-CE2 4.05Å |
| 270 | E | 95.1 | Very high | 90.8 | Very high | 71 Ų | 71 | 53 Ų | 53 | 33% | 0.332 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 125.4 | 172.4 | -177.4 | 163.8 | 101.8 | 0 | 0 | 109 | P197 Y268 K347 Q349 | P197-E270 WeakPolarHBondContact CD-O 3.46Å; Y268-E270 HydrophobicContact CD2-CB 4.5Å; Y268-E270 HydrophobicContact CE2-CB 4.3Å; E270-K347 VanDerWaalsContact CD-NZ 3.25Å; E270-K347 HydrophobicContact CG-CD 4.16Å; E270-K347 HydrophobicContact CG-CG 3.7Å; E270-K347 WeakPolarHBondContact OE1-CD 3.44Å; E270-K347 IonicContact OE1-NZ 3.36Å; E270-K347 PolarHBondContact OE1-NZ 2.73Å; E270-K347 IonicContact OE2-NZ 3.48Å; E270-K347 PolarHBondContact OE2-NZ 2.79Å; E270-Q349 HydrophobicContact CB-CG 4.3Å; E270-Q349 HydrophobicContact CG-CG 4.17Å; E270-Q349 WeakPolarHBondContact OE2-CG 3.41Å; E270-Q349 PolarHBondContact OE2-NE2 2.94Å |
| 271 | I | 96.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 129 | 170.6 | -50.7 | 178.8 | 0 | 0 | 0 | 108 | N195 A196 W259 I269 F273 K347 C348 Y350 F359 I362 | N195-I271 WeakPolarHBondContact O-CA 3.21Å; A196-I271 HydrophobicContact CB-CG1 4.08Å; A196-I271 HydrophobicContact CB-CG2 4.18Å; W259-I271 HydrophobicContact CH2-CD1 4.18Å; I269-I271 HydrophobicContact CD1-CD1 4.07Å; I269-I271 HydrophobicContact CD1-CG1 4.27Å; I269-I271 HydrophobicContact CG1-CG1 4.49Å; I271-F273 HydrophobicContact CB-CE2 3.81Å; I271-F273 HydrophobicContact CB-CZ 3.87Å; I271-F273 HydrophobicContact CG2-CD1 4.35Å; I271-F273 HydrophobicContact CG2-CD2 4.23Å; I271-F273 HydrophobicContact CG2-CE1 3.74Å; I271-F273 HydrophobicContact CG2-CE2 3.6Å; I271-F273 HydrophobicContact CG2-CZ 3.32Å; I271-K347 WeakPolarHBondContact O-CA 3.23Å; I271-C348 PolarHBondContact N-O 2.85Å; I271-C348 PolarHBondContact O-N 3.18Å; I271-Y350 HydrophobicContact CB-CE2 4.07Å; I271-Y350 HydrophobicContact CD1-CD2 4.33Å; I271-Y350 HydrophobicContact CD1-CE2 3.95Å; I271-Y350 HydrophobicContact CG1-CD2 4.32Å; I271-Y350 HydrophobicContact CG1-CE2 4.02Å; I271-F359 HydrophobicContact CD1-CD2 4.2Å; I271-F359 HydrophobicContact CD1-CE2 4.11Å; I271-I362 HydrophobicContact CD1-CD1 4.26Å |
| 272 | M | 96.2 | Very high | 90.6 | Very high | 37 Ų | 37 | 46.6 Ų | 46.6 | 18% | 0.182 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 132.9 | 176.6 | -171.1 | -177.1 | 80.1 | 0 | 0 | 109.6 | Y194 N195 E274 W313 I346 K347 | Y194-M272 CarbonylContact C-O 3.58Å; Y194-M272 WeakPolarHBondContact CA-O 3.45Å; N195-M272 HydrophobicContact CB-CB 4.38Å; N195-M272 PolarHBondContact N-O 2.93Å; N195-M272 WeakPolarHBondContact ND2-CE 3.06Å; N195-M272 PolarHBondContact O-N 3.16Å; M272-E274 HydrophobicContact CE-CG 4.05Å; M272-E274 WeakPolarHBondContact CE-OE1 3.45Å; M272-W313 HydrophobicContact CG-CH2 3.97Å; M272-W313 HydrophobicContact CG-CZ2 4.11Å; M272-W313 HydrophobicContact SD-CH2 4.14Å; M272-W313 HydrophobicContact SD-CZ2 3.66Å; M272-I346 CarbonylContact C-O 3.53Å; M272-I346 WeakPolarHBondContact CA-O 3.48Å; M272-K347 HydrophobicContact CB-CG 4.3Å; M272-K347 HydrophobicContact CG-CB 4.28Å; M272-K347 HydrophobicContact CG-CG 4.43Å |
| 273 | F | 96.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 125.3 | -172.7 | -61.9 | -83.8 | 0 | 0 | 0 | 108.6 | L191 I271 F275 A345 I346 C348 I362 F364 | L191-F273 HydrophobicContact CD1-CB 3.58Å; L191-F273 HydrophobicContact CD1-CD1 3.9Å; L191-F273 HydrophobicContact CD1-CG 4.24Å; L191-F273 HydrophobicContact CD2-CD1 4.11Å; I271-F273 HydrophobicContact CB-CE2 3.81Å; I271-F273 HydrophobicContact CB-CZ 3.87Å; I271-F273 HydrophobicContact CG2-CD1 4.35Å; I271-F273 HydrophobicContact CG2-CD2 4.23Å; I271-F273 HydrophobicContact CG2-CE1 3.74Å; I271-F273 HydrophobicContact CG2-CE2 3.6Å; I271-F273 HydrophobicContact CG2-CZ 3.32Å; F273-F275 HydrophobicContact CB-CE2 3.68Å; F273-F275 HydrophobicContact CB-CZ 3.9Å; F273-A345 CarbonylContact O-C 3.59Å; F273-A345 WeakPolarHBondContact O-CA 3.25Å; F273-A345 VanDerWaalsContact O-CB 3.29Å; F273-A345 WeakPolarHBondContact O-CB 3.26Å; F273-I346 HydrophobicContact CB-CB 4.49Å; F273-I346 PolarHBondContact N-O 3.34Å; F273-I346 PolarHBondContact O-N 2.68Å; F273-C348 HydrophobicContact CE2-CB 4.38Å; F273-I362 HydrophobicContact CE1-CB 4.5Å; F273-I362 HydrophobicContact CE1-CD1 4.21Å; F273-I362 HydrophobicContact CE1-CG2 3.9Å; F273-I362 HydrophobicContact CZ-CD1 3.91Å; F273-I362 HydrophobicContact CZ-CG2 3.93Å; F273-F364 HydrophobicContact CB-CE2 4.43Å; F273-F364 HydrophobicContact CB-CZ 4.15Å; F273-F364 AromaticContact CD1-CE2 3.56Å; F273-F364 HydrophobicContact CD1-CE2 3.56Å; F273-F364 AromaticContact CD1-CZ 3.59Å; F273-F364 HydrophobicContact CD1-CZ 3.59Å; F273-F364 AromaticContact CD2-CZ 3.71Å; F273-F364 HydrophobicContact CD2-CZ 3.71Å; F273-F364 AromaticContact CE1-CE2 3.83Å; F273-F364 HydrophobicContact CE1-CE2 3.83Å; F273-F364 AromaticContact CE1-CZ 3.79Å; F273-F364 HydrophobicContact CE1-CZ 3.79Å; F273-F364 AromaticContact CE2-CZ 3.9Å; F273-F364 HydrophobicContact CE2-CZ 3.9Å; F273-F364 AromaticContact CG-CE2 3.94Å; F273-F364 HydrophobicContact CG-CE2 3.94Å; F273-F364 AromaticContact CG-CZ 3.54Å; F273-F364 HydrophobicContact CG-CZ 3.54Å; F273-F364 HydrophobicContact CZ-CE2 4.41Å; F273-F364 AromaticContact CZ-CZ 3.93Å; F273-F364 HydrophobicContact CZ-CZ 3.93Å |
| 274 | E | 94.6 | Very high | 91.2 | Very high | 58 Ų | 58 | 39 Ų | 39 | 27% | 0.271 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 137 | 179 | -54.6 | -166 | 134.2 | 0 | 0 | 110.9 | L191 V192 S193 M272 R307 A345 | L191-E274 WeakPolarHBondContact CD1-O 3.19Å; V192-E274 PolarHBondContact N-O 2.96Å; S193-E274 PolarHBondContact N-O 3.14Å; S193-E274 PolarHBondContact O-N 2.91Å; M272-E274 HydrophobicContact CE-CG 4.05Å; M272-E274 WeakPolarHBondContact CE-OE1 3.45Å; E274-R307 IonicContact OE1-CZ 2.72Å; E274-R307 IonicContact OE1-NH1 3.25Å; E274-R307 IonicContact OE1-NH2 2.65Å; E274-R307 PolarHBondContact OE1-NH2 3.18Å; E274-A345 HydrophobicContact CG-CB 4.1Å |
| 275 | F | 93.4 | Very high | 91.6 | Very high | 16 Ų | 16 | 40.3 Ų | 40.3 | 7% | 0.07 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 155.7 | -168.1 | -60.6 | -94.9 | 0 | 0 | 0 | 112.7 | G190 L191 F273 R277 F281 S344 I346 F364 | G190-F275 WeakPolarHBondContact O-CA 3.47Å; L191-F275 HydrophobicContact CB-CD1 4.2Å; L191-F275 HydrophobicContact CB-CE1 4.05Å; L191-F275 HydrophobicContact CD1-CD1 3.99Å; L191-F275 HydrophobicContact CD1-CD2 4.38Å; L191-F275 HydrophobicContact CD1-CE1 3.56Å; L191-F275 HydrophobicContact CD1-CE2 4Å; L191-F275 HydrophobicContact CD1-CG 4.37Å; L191-F275 HydrophobicContact CD1-CZ 3.57Å; L191-F275 HydrophobicContact CG-CE1 4.43Å; F273-F275 HydrophobicContact CB-CE2 3.68Å; F273-F275 HydrophobicContact CB-CZ 3.9Å; F275-R277 PolarHBondContact O-N 2.79Å; F275-R277 VanDerWaalsContact O-N 3.12Å; F275-F281 AromaticContact CD1-CE1 3.97Å; F275-F281 HydrophobicContact CD1-CE1 3.97Å; F275-F281 AromaticContact CD1-CZ 3.74Å; F275-F281 HydrophobicContact CD1-CZ 3.74Å; F275-F281 HydrophobicContact CD2-CE1 4.37Å; F275-F281 HydrophobicContact CD2-CE2 4.45Å; F275-F281 AromaticContact CD2-CZ 3.65Å; F275-F281 HydrophobicContact CD2-CZ 3.65Å; F275-F281 AromaticContact CE1-CE1 3.56Å; F275-F281 HydrophobicContact CE1-CE1 3.56Å; F275-F281 AromaticContact CE1-CZ 3.75Å; F275-F281 HydrophobicContact CE1-CZ 3.75Å; F275-F281 HydrophobicContact CE2-CE1 4Å; F275-F281 AromaticContact CE2-CZ 3.66Å; F275-F281 HydrophobicContact CE2-CZ 3.66Å; F275-F281 HydrophobicContact CG-CE1 4.37Å; F275-F281 AromaticContact CG-CZ 3.7Å; F275-F281 HydrophobicContact CG-CZ 3.7Å; F275-F281 AromaticContact CZ-CE1 3.58Å; F275-F281 HydrophobicContact CZ-CE1 3.58Å; F275-F281 AromaticContact CZ-CZ 3.71Å; F275-F281 HydrophobicContact CZ-CZ 3.71Å; F275-S344 PolarHBondContact N-O 3.03Å; F275-I346 HydrophobicContact CE2-CB 4.29Å; F275-I346 HydrophobicContact CE2-CD1 3.98Å; F275-I346 HydrophobicContact CE2-CG1 3.9Å; F275-I346 HydrophobicContact CZ-CD1 4.21Å; F275-F364 HydrophobicContact CE1-CB 4.12Å; F275-F364 HydrophobicContact CE1-CD1 4.48Å; F275-F364 AromaticContact CE1-CD2 3.8Å; F275-F364 HydrophobicContact CE1-CD2 3.8Å; F275-F364 HydrophobicContact CE1-CE2 4.37Å; F275-F364 AromaticContact CE1-CG 3.87Å; F275-F364 HydrophobicContact CE1-CG 3.87Å; F275-F364 HydrophobicContact CZ-CB 4.39Å; F275-F364 AromaticContact CZ-CD1 3.92Å; F275-F364 HydrophobicContact CZ-CD1 3.92Å; F275-F364 AromaticContact CZ-CD2 3.71Å; F275-F364 HydrophobicContact CZ-CD2 3.71Å; F275-F364 HydrophobicContact CZ-CE1 4.1Å; F275-F364 AromaticContact CZ-CE2 3.91Å; F275-F364 HydrophobicContact CZ-CE2 3.91Å; F275-F364 AromaticContact CZ-CG 3.73Å; F275-F364 HydrophobicContact CZ-CG 3.73Å; F275-F364 HydrophobicContact CZ-CZ 4.11Å |
| 276 | D | 89.4 | Confident | 92.5 | Very high | 43 Ų | 43 | 33.7 Ų | 33.7 | 23% | 0.23 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | -9.4 | -171.4 | 75.3 | -23.4 | 0 | 0 | 0 | 115.8 | L94 G190 V192 R279 | L94-D276 HydrophobicContact CD1-CB 3.81Å; G190-D276 PolarHBondContact O-N 3.43Å; V192-D276 HydrophobicContact CG2-CB 3.74Å; D276-R279 IonicContact OD1-CZ 3.45Å; D276-R279 VanDerWaalsContact OD1-CZ 3.22Å; D276-R279 IonicContact OD1-NE 3.46Å; D276-R279 PolarHBondContact OD1-NE 3Å; D276-R279 IonicContact OD1-NH2 2.89Å; D276-R279 PolarHBondContact OD1-NH2 2.74Å; D276-R279 IonicContact OD2-NH2 2.61Å |
| 277 | R | 89.4 | Confident | 93 | Very high | 111 Ų | 111 | 29.7 Ų | 29.7 | 42% | 0.419 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.1 | 174.4 | 168.3 | 60.3 | -169 | 131.5 | -65.4 | -10.4 | 110.5 | F275 R279 | F275-R277 PolarHBondContact O-N 2.79Å; F275-R277 VanDerWaalsContact O-N 3.12Å; R277-R279 HydrophobicContact CG-CG 4.27Å; R277-R279 PolarHBondContact O-N 2.68Å |
| 278 | I | 90.8 | Very high | 93.2 | Very high | 42 Ų | 42 | 28.7 Ų | 28.7 | 22% | 0.215 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 123.1 | 169.8 | -61.3 | 173 | 0 | 0 | 0 | 109.7 | M342 A343 A369 Y371 | I278-M342 HydrophobicContact CG2-CB 4.32Å; I278-M342 HydrophobicContact CG2-CE 3.92Å; I278-A343 CarbonylContact C-O 3.51Å; I278-A343 WeakPolarHBondContact CA-O 3.33Å; I278-A369 HydrophobicContact CG2-CB 4.28Å; I278-A369 WeakPolarHBondContact O-CB 3.49Å; I278-A369 PolarHBondContact O-N 3.5Å; I278-Y371 HydrophobicContact CD1-CE2 4.2Å |
| 279 | R | 90.8 | Very high | 93.3 | Very high | 11 Ų | 11 | 26.1 Ų | 26.1 | 4% | 0.042 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 151 | -173.2 | -80.5 | 165.3 | 174.5 | -94.7 | 5.3 | 111.3 | L188 D189 G190 D276 R277 F281 M342 A343 S366 D367 | L188-R279 PolarHBondContact O-NH1 3.1Å; D189-R279 PolarHBondContact O-NH1 3.05Å; G190-R279 VanDerWaalsContact CA-NH2 3.25Å; D276-R279 IonicContact OD1-CZ 3.45Å; D276-R279 VanDerWaalsContact OD1-CZ 3.22Å; D276-R279 IonicContact OD1-NE 3.46Å; D276-R279 PolarHBondContact OD1-NE 3Å; D276-R279 IonicContact OD1-NH2 2.89Å; D276-R279 PolarHBondContact OD1-NH2 2.74Å; D276-R279 IonicContact OD2-NH2 2.61Å; R277-R279 HydrophobicContact CG-CG 4.27Å; R277-R279 PolarHBondContact O-N 2.68Å; R279-F281 HydrophobicContact CB-CD2 4.27Å; R279-F281 HydrophobicContact CB-CE1 4.47Å; R279-F281 HydrophobicContact CB-CE2 3.58Å; R279-F281 HydrophobicContact CB-CZ 3.7Å; R279-F281 WeakPolarHBondContact O-CD2 3.2Å; R279-F281 WeakPolarHBondContact O-CE2 3.47Å; R279-M342 CarbonylContact O-C 3.55Å; R279-M342 WeakPolarHBondContact O-CA 3.41Å; R279-A343 PolarHBondContact N-O 3.08Å; R279-A343 PolarHBondContact O-N 3.4Å; R279-S366 PolarHBondContact NH1-OG 2.91Å; R279-S366 VanDerWaalsContact NH1-OG 3.1Å; R279-D367 WeakPolarHBondContact CA-O 3.48Å |
| 280 | N | 90.6 | Very high | 93.2 | Very high | 43 Ų | 43 | 25.9 Ų | 25.9 | 23% | 0.23 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 104.1 | 178.3 | -176.5 | -24.3 | 0 | 0 | 0 | 108.8 | H340 M342 S366 D367 | N280-H340 WeakPolarHBondContact OD1-CA 3.47Å; N280-H340 VanDerWaalsContact OD1-CB 3.22Å; N280-H340 WeakPolarHBondContact OD1-CB 3.4Å; N280-H340 PolarHBondContact OD1-ND1 3.23Å; N280-H340 PolarHBondContact OD1-O 3.34Å; N280-M342 HydrophobicContact CB-CE 3.85Å; N280-M342 HydrophobicContact CB-SD 3.47Å; N280-M342 WeakPolarHBondContact CB-SD 3.44Å; N280-S366 CarbonylContact O-C 3.59Å; N280-S366 WeakPolarHBondContact O-CA 3.26Å; N280-S366 WeakPolarHBondContact O-CB 3.5Å; N280-D367 HydrophobicContact CB-CB 4.38Å; N280-D367 WeakPolarHBondContact CB-O 3.47Å; N280-D367 PolarHBondContact N-O 2.7Å; N280-D367 PolarHBondContact O-N 2.61Å |
| 281 | F | 91.4 | Very high | 93 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 117.5 | -171.1 | -70.6 | -85.8 | 0 | 0 | 0 | 112.7 | F275 R279 L338 H340 R341 A343 I346 F364 | F275-F281 AromaticContact CD1-CE1 3.97Å; F275-F281 HydrophobicContact CD1-CE1 3.97Å; F275-F281 AromaticContact CD1-CZ 3.74Å; F275-F281 HydrophobicContact CD1-CZ 3.74Å; F275-F281 HydrophobicContact CD2-CE1 4.37Å; F275-F281 HydrophobicContact CD2-CE2 4.45Å; F275-F281 AromaticContact CD2-CZ 3.65Å; F275-F281 HydrophobicContact CD2-CZ 3.65Å; F275-F281 AromaticContact CE1-CE1 3.56Å; F275-F281 HydrophobicContact CE1-CE1 3.56Å; F275-F281 AromaticContact CE1-CZ 3.75Å; F275-F281 HydrophobicContact CE1-CZ 3.75Å; F275-F281 HydrophobicContact CE2-CE1 4Å; F275-F281 AromaticContact CE2-CZ 3.66Å; F275-F281 HydrophobicContact CE2-CZ 3.66Å; F275-F281 HydrophobicContact CG-CE1 4.37Å; F275-F281 AromaticContact CG-CZ 3.7Å; F275-F281 HydrophobicContact CG-CZ 3.7Å; F275-F281 AromaticContact CZ-CE1 3.58Å; F275-F281 HydrophobicContact CZ-CE1 3.58Å; F275-F281 AromaticContact CZ-CZ 3.71Å; F275-F281 HydrophobicContact CZ-CZ 3.71Å; R279-F281 HydrophobicContact CB-CD2 4.27Å; R279-F281 HydrophobicContact CB-CE1 4.47Å; R279-F281 HydrophobicContact CB-CE2 3.58Å; R279-F281 HydrophobicContact CB-CZ 3.7Å; R279-F281 WeakPolarHBondContact O-CD2 3.2Å; R279-F281 WeakPolarHBondContact O-CE2 3.47Å; F281-L338 HydrophobicContact CB-CB 3.86Å; F281-L338 HydrophobicContact CB-CD1 3.73Å; F281-L338 HydrophobicContact CB-CG 4.48Å; F281-L338 HydrophobicContact CD1-CD1 4.25Å; F281-L338 HydrophobicContact CG-CD1 4.28Å; F281-L338 CarbonylContact O-C 3.41Å; F281-L338 WeakPolarHBondContact O-CB 3.48Å; F281-H340 WeakPolarHBondContact O-CA 3.24Å; F281-H340 PolarHBondContact O-N 2.94Å; F281-R341 PolarHBondContact N-O 3.44Å; F281-A343 HydrophobicContact CD2-CB 4.15Å; F281-A343 HydrophobicContact CE2-CB 3.97Å; F281-I346 HydrophobicContact CB-CD1 4.42Å; F281-I346 HydrophobicContact CD1-CD1 3.69Å; F281-I346 HydrophobicContact CD2-CD1 3.83Å; F281-I346 HydrophobicContact CE1-CD1 3.81Å; F281-I346 HydrophobicContact CE2-CD1 3.93Å; F281-I346 HydrophobicContact CE2-CG1 4.36Å; F281-I346 HydrophobicContact CG-CD1 3.7Å; F281-I346 HydrophobicContact CZ-CD1 3.92Å; F281-F364 HydrophobicContact CD1-CB 4.12Å; F281-F364 HydrophobicContact CD1-CD1 4.18Å; F281-F364 HydrophobicContact CE1-CB 3.96Å; F281-F364 HydrophobicContact CE1-CD1 4.23Å; F281-F364 HydrophobicContact CE1-CG 4.29Å |
| 282 | T | 90.2 | Very high | 92.7 | Very high | 21 Ų | 21 | 27.4 Ų | 27.4 | 13% | 0.129 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -48.9 | 178.4 | 72.6 | 0 | 0 | 0 | 0 | 110.8 | L338 H339 H340 Q365 | T282-L338 PolarHBondContact O-N 3.1Å; T282-H339 PolarHBondContact O-N 3.01Å; T282-H340 VanDerWaalsContact CG2-CE1 3.47Å; T282-H340 WeakPolarHBondContact CG2-CE1 3.41Å; T282-Q365 PolarHBondContact N-O 3.49Å; T282-Q365 WeakPolarHBondContact OG1-CB 3.41Å; T282-Q365 VanDerWaalsContact OG1-CG 3.26Å; T282-Q365 WeakPolarHBondContact OG1-CG 3.38Å; T282-Q365 PolarHBondContact OG1-O 3.12Å |
| 283 | T | 91.4 | Very high | 92.3 | Very high | 30 Ų | 30 | 30 Ų | 30 | 18% | 0.184 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 146.6 | -168.8 | 30.4 | 0 | 0 | 0 | 0 | 110.8 | T335 V336 Q365 | T283-T335 HydrophobicContact CG2-CG2 3.88Å; T283-V336 CarbonylContact C-O 3.56Å; T283-V336 WeakPolarHBondContact CA-O 3.37Å; T283-Q365 PolarHBondContact O-N 2.8Å; T283-Q365 WeakPolarHBondContact OG1-CB 3.42Å; T283-Q365 PolarHBondContact OG1-OE1 2.52Å |
| 284 | M | 93.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 146.9 | 163.2 | 170.8 | -178.4 | 66.4 | 0 | 0 | 108.3 | V286 V302 T335 V336 L338 Y350 I362 T363 F364 | M284-V286 HydrophobicContact CE-CG2 4.11Å; M284-V286 HydrophobicContact CG-CG2 4.08Å; M284-V286 HydrophobicContact SD-CG2 4.07Å; M284-V302 HydrophobicContact CE-CG2 4.41Å; M284-T335 WeakPolarHBondContact O-CA 3.22Å; M284-V336 HydrophobicContact CB-CB 4.42Å; M284-V336 HydrophobicContact CE-CB 3.9Å; M284-V336 HydrophobicContact CE-CG1 4.09Å; M284-V336 HydrophobicContact CE-CG2 3.87Å; M284-V336 PolarHBondContact N-O 2.82Å; M284-V336 PolarHBondContact O-N 3.4Å; M284-L338 HydrophobicContact CB-CD1 3.84Å; M284-L338 HydrophobicContact CB-CD2 4.41Å; M284-L338 HydrophobicContact CB-CG 4.21Å; M284-Y350 HydrophobicContact CE-CE1 4.02Å; M284-Y350 PolarHBondContact SD-OH 2.91Å; M284-I362 HydrophobicContact CG-CG2 4.27Å; M284-I362 HydrophobicContact SD-CG2 4.35Å; M284-T363 CarbonylContact C-O 3.56Å; M284-T363 WeakPolarHBondContact CA-O 3.47Å; M284-F364 HydrophobicContact CB-CD1 3.91Å; M284-F364 HydrophobicContact CB-CE1 3.89Å; M284-F364 HydrophobicContact CG-CD1 4.09Å; M284-F364 HydrophobicContact CG-CE1 3.69Å; M284-F364 HydrophobicContact CG-CZ 4.1Å; M284-F364 HydrophobicContact SD-CE1 3.6Å; M284-F364 VanDerWaalsContact SD-CE1 3.6Å; M284-F364 HydrophobicContact SD-CZ 3.82Å |
| 285 | K | 93.3 | Very high | 91.7 | Very high | 45 Ų | 45 | 30.8 Ų | 30.8 | 20% | 0.196 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 133 | 170.1 | -61.9 | -176.7 | 178.3 | -178.1 | 0 | 109.5 | F333 V334 T335 I362 T363 | K285-F333 HydrophobicContact CB-CD1 3.86Å; K285-V334 WeakPolarHBondContact CA-O 3.47Å; K285-T335 HydrophobicContact CG-CG2 4.28Å; K285-I362 WeakPolarHBondContact O-CA 3.47Å; K285-T363 PolarHBondContact N-O 2.99Å; K285-T363 PolarHBondContact O-N 3.13Å |
| 286 | V | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 119.8 | 178 | -176.7 | 0 | 0 | 0 | 0 | 108.4 | M284 C288 F299 F333 V334 Y350 F359 I362 | M284-V286 HydrophobicContact CE-CG2 4.11Å; M284-V286 HydrophobicContact CG-CG2 4.08Å; M284-V286 HydrophobicContact SD-CG2 4.07Å; V286-C288 VanDerWaalsContact CG1-SG 3.57Å; V286-C288 PolarHBondContact O-N 3.05Å; V286-F299 HydrophobicContact CB-CE1 4.07Å; V286-F299 HydrophobicContact CB-CZ 4.47Å; V286-F299 HydrophobicContact CG1-CE1 4.11Å; V286-F299 HydrophobicContact CG2-CE1 4.38Å; V286-F299 HydrophobicContact CG2-CZ 4.46Å; V286-F333 CarbonylContact O-C 3.54Å; V286-F333 WeakPolarHBondContact O-CA 3.23Å; V286-V334 PolarHBondContact N-O 2.72Å; V286-V334 PolarHBondContact O-N 3.38Å; V286-Y350 HydrophobicContact CG2-CE1 4.02Å; V286-F359 HydrophobicContact CG1-CB 4.18Å; V286-F359 HydrophobicContact CG1-CD1 3.47Å; V286-F359 VanDerWaalsContact CG1-CD1 3.47Å; V286-F359 HydrophobicContact CG1-CD2 3.89Å; V286-F359 HydrophobicContact CG1-CE1 3.76Å; V286-F359 HydrophobicContact CG1-CE2 4.11Å; V286-F359 HydrophobicContact CG1-CG 3.57Å; V286-F359 HydrophobicContact CG1-CZ 4.06Å; V286-I362 HydrophobicContact CG1-CD1 4.44Å; V286-I362 HydrophobicContact CG1-CG1 4.16Å; V286-I362 HydrophobicContact CG2-CG1 4.43Å; V286-I362 HydrophobicContact CG2-CG2 4.28Å |
| 287 | H | 95.4 | Very high | 91.8 | Very high | 13 Ų | 13 | 29.2 Ų | 29.2 | 6% | 0.06 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 111.1 | 173.2 | -165.5 | -103.9 | 0 | 0 | 0 | 109.8 | G238 R332 F333 F359 S360 E361 | G238-H287 PolarHBondContact O-CE1 3.45Å; G238-H287 VanDerWaalsContact O-CE1 3.31Å; H287-R332 WeakPolarHBondContact CA-O 3.45Å; H287-R332 VanDerWaalsContact CD2-C 3.42Å; H287-R332 PolarHBondContact NE2-N 2.69Å; H287-F333 HydrophobicContact CB-CD1 3.89Å; H287-F333 HydrophobicContact CB-CE1 3.66Å; H287-F333 HydrophobicContact CB-CE2 4.42Å; H287-F333 HydrophobicContact CB-CG 4.41Å; H287-F333 HydrophobicContact CB-CZ 3.93Å; H287-F333 AromaticContact CD2-CD2 3.66Å; H287-F333 AromaticContact CD2-CE2 3.67Å; H287-F359 VanDerWaalsContact O-CA 3.24Å; H287-F359 WeakPolarHBondContact O-CA 3.46Å; H287-S360 PolarHBondContact ND1-OG 2.83Å; H287-S360 PolarHBondContact O-N 3.04Å; H287-S360 VanDerWaalsContact O-N 3.11Å; H287-E361 HydrophobicContact CB-CB 3.9Å; H287-E361 PolarHBondContact N-O 2.76Å |
| 288 | C | 94.8 | Very high | 92 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.007 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 138.8 | -175.4 | -55.1 | 0 | 0 | 0 | 0 | 110.9 | V286 I298 F299 A331 R332 V334 F359 | V286-C288 VanDerWaalsContact CG1-SG 3.57Å; V286-C288 PolarHBondContact O-N 3.05Å; C288-I298 HydrophobicContact CB-CB 4.22Å; C288-I298 HydrophobicContact CB-CG2 3.63Å; C288-F299 VanDerWaalsContact SG-CE1 3.58Å; C288-A331 CarbonylContact O-C 3.5Å; C288-A331 VanDerWaalsContact O-CA 3.22Å; C288-A331 WeakPolarHBondContact O-CA 3.12Å; C288-A331 WeakPolarHBondContact O-CB 3.48Å; C288-R332 PolarHBondContact N-O 2.99Å; C288-R332 PolarHBondContact O-N 3.4Å; C288-V334 HydrophobicContact CB-CG2 4.33Å; C288-F359 HydrophobicContact CB-CD1 4.34Å; C288-F359 VanDerWaalsContact SG-CE1 3.57Å |
| 289 | N | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -75.8 | 147.3 | 166 | -166 | -89.3 | 0 | 0 | 0 | 110.9 | L239 D240 Y256 M291 V296 K297 I298 M358 | L239-N289 PolarHBondContact O-ND2 2.98Å; D240-N289 PolarHBondContact O-ND2 3.5Å; Y256-N289 HydrophobicContact CD1-CB 4.39Å; Y256-N289 HydrophobicContact CE1-CB 3.7Å; Y256-N289 PolarHBondContact OH-ND2 3.24Å; N289-M291 WeakPolarHBondContact OD1-CB 3.28Å; N289-M291 PolarHBondContact OD1-N 3.13Å; N289-V296 HydrophobicContact CB-CG1 3.98Å; N289-K297 CarbonylContact O-C 3.55Å; N289-I298 PolarHBondContact O-N 3.21Å; N289-M358 HydrophobicContact CB-CG 3.54Å; N289-M358 HydrophobicContact CB-SD 3.77Å; N289-M358 PolarHBondContact N-O 3.07Å | ||
| 290 | N | 94.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | trans | -130 | 29.4 | 178.1 | -158.3 | 52.6 | 0 | 0 | 0 | 113.3 | F292 V296 I298 D325 N328 P329 | N290-F292 WeakPolarHBondContact O-CD1 3.49Å; N290-F292 PolarHBondContact O-N 3.39Å; N290-V296 CarbonylContact C-O 3.58Å; N290-I298 HydrophobicContact CB-CG2 4.06Å; N290-I298 PolarHBondContact OD1-N 3.16Å; N290-D325 PolarHBondContact ND2-O 2.69Å; N290-N328 PolarHBondContact ND2-O 2.97Å; N290-P329 CarbonylContact C-O 3.59Å; N290-P329 WeakPolarHBondContact O-CA 3.41Å | ||
| 291 | M | 91.6 | Very high | 92.5 | Very high | 39 Ų | 39 | 26.5 Ų | 26.5 | 19% | 0.192 | 14% | 0.143 | C | C | . | . | trans | -73.7 | 65.8 | -179.1 | -161.9 | -176.9 | -148.1 | 0 | 0 | 112.1 | D241 F242 N289 A293 K294 V296 | D241-M291 HydrophobicContact CB-CE 4.04Å; F242-M291 HydrophobicContact CD1-CB 4.19Å; F242-M291 HydrophobicContact CD1-SD 3.92Å; F242-M291 HydrophobicContact CE1-CB 4.18Å; F242-M291 HydrophobicContact CE1-CG 4.5Å; F242-M291 HydrophobicContact CE1-SD 3.8Å; N289-M291 WeakPolarHBondContact OD1-CB 3.28Å; N289-M291 PolarHBondContact OD1-N 3.13Å; M291-A293 PolarHBondContact O-N 3.42Å; M291-K294 HydrophobicContact CE-CD 4.41Å; M291-K294 HydrophobicContact CG-CG 4.47Å; M291-K294 PolarHBondContact O-N 2.95Å; M291-K294 HydrophobicContact SD-CD 3.53Å; M291-K294 VanDerWaalsContact SD-CD 3.53Å; M291-K294 WeakPolarHBondContact SD-CE 3.3Å; M291-K294 HydrophobicContact SD-CG 4.08Å; M291-K294 PolarHBondContact SD-NZ 2.94Å; M291-V296 CarbonylContact C-O 3.57Å; M291-V296 PolarHBondContact N-O 3.03Å | ||
| 292 | F | 89.6 | Confident | 92.8 | Very high | 65 Ų | 65 | 26.5 Ų | 26.5 | 29% | 0.285 | 14% | 0.143 | S | C | . | . | G | 310 helix | trans | -59.4 | -22.9 | -174.1 | 52.8 | -104.7 | 0 | 0 | 0 | 113.7 | N290 K294 G295 V296 K297 D326 P329 | N290-F292 WeakPolarHBondContact O-CD1 3.49Å; N290-F292 PolarHBondContact O-N 3.39Å; F292-K294 PolarHBondContact O-N 3.4Å; F292-K294 VanDerWaalsContact O-N 3.13Å; F292-G295 PolarHBondContact O-N 3.35Å; F292-V296 WeakPolarHBondContact CA-O 3.47Å; F292-V296 PolarHBondContact N-O 3.46Å; F292-K297 HydrophobicContact CB-CD 4.36Å; F292-K297 HydrophobicContact CB-CG 3.9Å; F292-D326 WeakPolarHBondContact CZ-O 3.4Å; F292-P329 HydrophobicContact CE1-CB 4.05Å; F292-P329 HydrophobicContact CZ-CB 4.38Å |
| 293 | A | 87.1 | Confident | 93.1 | Very high | 91 Ų | 91 | 27.7 Ų | 27.7 | 75% | 0.752 | 15% | 0.147 | S | C | * | . | G | 310 helix | trans | -59.5 | -18.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | M291 | M291-A293 PolarHBondContact O-N 3.42Š|
| 294 | K | 87.8 | Confident | 93.3 | Very high | 61 Ų | 61 | 26.3 Ų | 26.3 | 27% | 0.265 | 14% | 0.138 | S | C | . | . | G | 310 helix | trans | -111.9 | 15.1 | 172.5 | -62.3 | -178.6 | -171.1 | 158.7 | 0 | 112.7 | F202 D241 F242 T243 M291 F292 | F202-K294 HydrophobicContact CZ-CB 4.31Å; D241-K294 IonicContact OD1-NZ 2.7Å; D241-K294 PolarHBondContact OD1-NZ 2.67Å; F242-K294 HydrophobicContact CE1-CB 4.09Å; F242-K294 HydrophobicContact CE1-CD 3.66Å; F242-K294 HydrophobicContact CE1-CG 4.46Å; F242-K294 HydrophobicContact CZ-CB 4.15Å; F242-K294 HydrophobicContact CZ-CD 3.63Å; T243-K294 PolarHBondContact OG1-NZ 3.23Å; M291-K294 HydrophobicContact CE-CD 4.41Å; M291-K294 HydrophobicContact CG-CG 4.47Å; M291-K294 PolarHBondContact O-N 2.95Å; M291-K294 HydrophobicContact SD-CD 3.53Å; M291-K294 VanDerWaalsContact SD-CD 3.53Å; M291-K294 WeakPolarHBondContact SD-CE 3.3Å; M291-K294 HydrophobicContact SD-CG 4.08Å; M291-K294 PolarHBondContact SD-NZ 2.94Å; F292-K294 PolarHBondContact O-N 3.4Å; F292-K294 VanDerWaalsContact O-N 3.13Å |
| 295 | G | 89.6 | Confident | 93.3 | Very high | 13 Ų | 13 | 28.9 Ų | 28.9 | 13% | 0.134 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75 | 20.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | F292 T355 W356 | F292-G295 PolarHBondContact O-N 3.35Å; G295-T355 PolarHBondContact O-N 3.21Å; G295-W356 PolarHBondContact O-N 2.95Å |
| 296 | V | 92.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | B | Isolated β-bridge | trans | -104.8 | 125.5 | 179.4 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | F202 F242 N289 N290 M291 F292 W356 M358 | F202-V296 HydrophobicContact CE2-CG2 4.1Å; F242-V296 HydrophobicContact CD1-CG2 4.37Å; F242-V296 HydrophobicContact CE1-CB 4.45Å; F242-V296 HydrophobicContact CE1-CG2 3.63Å; F242-V296 HydrophobicContact CZ-CG2 3.97Å; N289-V296 HydrophobicContact CB-CG1 3.98Å; N290-V296 CarbonylContact C-O 3.58Å; M291-V296 CarbonylContact C-O 3.57Å; M291-V296 PolarHBondContact N-O 3.03Å; F292-V296 WeakPolarHBondContact CA-O 3.47Å; F292-V296 PolarHBondContact N-O 3.46Å; V296-W356 HydrophobicContact CG2-CB 3.95Å; V296-M358 HydrophobicContact CB-CE 4.35Å; V296-M358 HydrophobicContact CG1-CE 3.72Å; V296-M358 HydrophobicContact CG1-CG 3.88Å; V296-M358 HydrophobicContact CG1-SD 4.04Å; V296-M358 HydrophobicContact CG2-CE 3.62Å |
| 297 | K | 93.4 | Very high | 93.2 | Very high | 27 Ų | 27 | 29 Ų | 29 | 12% | 0.117 | 15% | 0.148 | C | C | . | . | trans | -137.7 | 161.2 | 174.6 | -71.8 | -166.7 | -174.3 | -176.2 | 0 | 112.7 | N289 F292 D326 A353 D354 W356 | N289-K297 CarbonylContact O-C 3.55Å; F292-K297 HydrophobicContact CB-CD 4.36Å; F292-K297 HydrophobicContact CB-CG 3.9Å; K297-D326 WeakPolarHBondContact CE-OD1 3.34Å; K297-D326 VanDerWaalsContact NZ-CG 3.29Å; K297-D326 IonicContact NZ-OD1 2.88Å; K297-D326 PolarHBondContact NZ-OD1 2.93Å; K297-D326 IonicContact NZ-OD2 3.14Å; K297-D326 PolarHBondContact NZ-OD2 3.16Å; K297-A353 HydrophobicContact CB-CB 4.04Å; K297-A353 HydrophobicContact CD-CB 4.4Å; K297-D354 HydrophobicContact CB-CB 3.94Å; K297-D354 HydrophobicContact CD-CB 4Å; K297-D354 WeakPolarHBondContact CE-OD2 3.41Å; K297-D354 HydrophobicContact CG-CB 3.82Å; K297-D354 IonicContact NZ-OD2 2.7Å; K297-W356 PolarHBondContact N-O 2.91Å; K297-W356 VanDerWaalsContact N-O 3.16Å | ||
| 298 | I | 93.6 | Very high | 92.6 | Very high | 6 Ų | 6 | 30.3 Ų | 30.3 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | trans | -57.1 | 158.1 | 162.7 | 69.1 | 178.2 | 0 | 0 | 0 | 111.4 | C288 N289 N290 L324 V334 A353 | C288-I298 HydrophobicContact CB-CB 4.22Å; C288-I298 HydrophobicContact CB-CG2 3.63Å; N289-I298 PolarHBondContact O-N 3.21Å; N290-I298 HydrophobicContact CB-CG2 4.06Å; N290-I298 PolarHBondContact OD1-N 3.16Å; I298-L324 HydrophobicContact CD1-CD2 4.44Å; I298-L324 HydrophobicContact CG1-CD2 3.96Å; I298-V334 HydrophobicContact CB-CG2 4.43Å; I298-V334 HydrophobicContact CG2-CG2 4.32Å; I298-A353 WeakPolarHBondContact O-CB 3.44Å | ||
| 299 | F | 94.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -65.7 | 145.3 | 174.3 | 51 | -83.9 | 0 | 0 | 0 | 111.7 | V286 C288 V302 L322 V334 V336 Y350 H351 M357 F359 | V286-F299 HydrophobicContact CB-CE1 4.07Å; V286-F299 HydrophobicContact CB-CZ 4.47Å; V286-F299 HydrophobicContact CG1-CE1 4.11Å; V286-F299 HydrophobicContact CG2-CE1 4.38Å; V286-F299 HydrophobicContact CG2-CZ 4.46Å; C288-F299 VanDerWaalsContact SG-CE1 3.58Å; F299-V302 HydrophobicContact CD2-CB 3.87Å; F299-V302 HydrophobicContact CD2-CG1 4.32Å; F299-V302 HydrophobicContact CE2-CB 3.6Å; F299-V302 HydrophobicContact CE2-CG1 3.63Å; F299-V302 HydrophobicContact CZ-CB 4.48Å; F299-V302 HydrophobicContact CZ-CG1 4.44Å; F299-L322 HydrophobicContact CD2-CD1 3.34Å; F299-L322 HydrophobicContact CE2-CD1 3.23Å; F299-L322 HydrophobicContact CG-CD1 4.18Å; F299-L322 HydrophobicContact CZ-CD1 4.01Å; F299-L322 VanDerWaalsContact O-CD1 3.27Å; F299-L322 WeakPolarHBondContact O-CD1 3.45Å; F299-V334 HydrophobicContact CE1-CB 4.22Å; F299-V334 HydrophobicContact CE1-CG1 4.18Å; F299-V334 HydrophobicContact CE1-CG2 4.48Å; F299-V334 HydrophobicContact CE2-CG1 4.12Å; F299-V334 HydrophobicContact CZ-CB 4.07Å; F299-V334 HydrophobicContact CZ-CG1 3.59Å; F299-V336 HydrophobicContact CE2-CG2 4.28Å; F299-V336 HydrophobicContact CZ-CG2 4.07Å; F299-Y350 AromaticContact CD1-CD1 3.87Å; F299-Y350 HydrophobicContact CD1-CD1 3.87Å; F299-Y350 HydrophobicContact CD2-CD1 4.14Å; F299-Y350 AromaticContact CE1-CD1 3.87Å; F299-Y350 HydrophobicContact CE1-CD1 3.87Å; F299-Y350 HydrophobicContact CE1-CE1 4.16Å; F299-Y350 HydrophobicContact CE2-CD1 4.13Å; F299-Y350 HydrophobicContact CG-CD1 4.02Å; F299-Y350 HydrophobicContact CZ-CD1 4Å; F299-Y350 HydrophobicContact CZ-CE1 4.13Å; F299-H351 WeakPolarHBondContact CA-O 3.37Å; F299-H351 WeakPolarHBondContact CB-O 3.45Å; F299-M357 HydrophobicContact CB-SD 3.69Å; F299-F359 AromaticContact CD1-CE1 3.8Å; F299-F359 HydrophobicContact CD1-CE1 3.8Å; F299-F359 AromaticContact CD1-CZ 3.87Å; F299-F359 HydrophobicContact CD1-CZ 3.87Å; F299-F359 HydrophobicContact CE1-CE1 4.19Å; F299-F359 HydrophobicContact CE1-CZ 4.27Å | ||
| 300 | K | 94.1 | Very high | 90 | Very high | 98 Ų | 98 | 41.5 Ų | 41.5 | 43% | 0.426 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -81.6 | -24.1 | 177.1 | 66.5 | 179.8 | 174.5 | -167.2 | 0 | 113.4 | L322 L324 H351 F352 A353 | K300-L322 PolarHBondContact O-N 2.74Å; K300-L324 HydrophobicContact CB-CD1 4.44Å; K300-L324 HydrophobicContact CB-CD2 4.18Å; K300-H351 HydrophobicContact CD-CB 4.49Å; K300-H351 HydrophobicContact CG-CB 3.96Å; K300-H351 PolarHBondContact N-O 2.83Å; K300-F352 VanDerWaalsContact CD-O 3.25Å; K300-F352 WeakPolarHBondContact CD-O 3.29Å; K300-F352 WeakPolarHBondContact CE-O 3.34Å; K300-F352 PolarHBondContact NZ-O 2.86Å; K300-A353 HydrophobicContact CB-CB 4.04Å |
| 301 | E | 94.8 | Very high | 88.7 | Confident | 46 Ų | 46 | 46.3 Ų | 46.3 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 144.6 | -178.2 | -175.9 | -178.4 | 166.7 | 0 | 0 | 108.4 | Q303 S319 F320 H351 | E301-Q303 HydrophobicContact CG-CG 4.38Å; E301-Q303 WeakPolarHBondContact OE1-CG 3.4Å; E301-Q303 PolarHBondContact OE1-NE2 2.86Å; E301-S319 WeakPolarHBondContact OE1-CB 3.38Å; E301-S319 PolarHBondContact OE1-OG 2.99Å; E301-F320 WeakPolarHBondContact CA-O 3.24Å; E301-H351 HydrophobicContact CB-CB 4.34Å; E301-H351 PolarHBondContact O-N 3.11Å |
| 302 | V | 96.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 139.2 | 163.5 | 63.6 | 0 | 0 | 0 | 0 | 110.3 | M284 F299 S319 F320 V336 C348 Q349 Y350 | M284-V302 HydrophobicContact CE-CG2 4.41Å; F299-V302 HydrophobicContact CD2-CB 3.87Å; F299-V302 HydrophobicContact CD2-CG1 4.32Å; F299-V302 HydrophobicContact CE2-CB 3.6Å; F299-V302 HydrophobicContact CE2-CG1 3.63Å; F299-V302 HydrophobicContact CZ-CB 4.48Å; F299-V302 HydrophobicContact CZ-CG1 4.44Å; V302-S319 CarbonylContact O-C 3.57Å; V302-S319 WeakPolarHBondContact O-CA 3.33Å; V302-F320 HydrophobicContact CG1-CB 4.07Å; V302-F320 PolarHBondContact N-O 3.18Å; V302-F320 VanDerWaalsContact N-O 3.11Å; V302-F320 PolarHBondContact O-N 2.85Å; V302-V336 HydrophobicContact CG1-CB 4.46Å; V302-V336 HydrophobicContact CG1-CG1 3.69Å; V302-V336 HydrophobicContact CG1-CG2 3.88Å; V302-C348 HydrophobicContact CG2-CB 3.81Å; V302-Q349 CarbonylContact C-O 3.39Å; V302-Q349 VanDerWaalsContact CA-O 3.29Å; V302-Q349 WeakPolarHBondContact CA-O 3.4Å; V302-Y350 HydrophobicContact CB-CD1 3.95Å; V302-Y350 HydrophobicContact CB-CE1 4.25Å; V302-Y350 HydrophobicContact CG2-CD1 3.54Å; V302-Y350 HydrophobicContact CG2-CE1 3.55Å; V302-Y350 HydrophobicContact CG2-CG 4.07Å |
| 303 | Q | 95.9 | Very high | 87.9 | Confident | 46 Ų | 46 | 52.5 Ų | 52.5 | 22% | 0.215 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 108 | 173.1 | -58.5 | -171.6 | -2 | 0 | 0 | 109.6 | E301 Y305 A317 I318 C348 Q349 | E301-Q303 HydrophobicContact CG-CG 4.38Å; E301-Q303 WeakPolarHBondContact OE1-CG 3.4Å; E301-Q303 PolarHBondContact OE1-NE2 2.86Å; Q303-Y305 HydrophobicContact CB-CE2 4.28Å; Q303-A317 HydrophobicContact CB-CB 4.44Å; Q303-I318 WeakPolarHBondContact CA-O 3.42Å; Q303-C348 WeakPolarHBondContact O-CA 3.37Å; Q303-Q349 HydrophobicContact CB-CB 4.42Å; Q303-Q349 PolarHBondContact N-O 2.85Å; Q303-Q349 PolarHBondContact O-N 3.17Å |
| 304 | C | 95.8 | Very high | 87.9 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.007 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 121.5 | -179.2 | -64.3 | 0 | 0 | 0 | 0 | 111.7 | F306 A317 I318 L338 I346 K347 C348 | C304-F306 HydrophobicContact CB-CE2 4.39Å; C304-F306 HydrophobicContact CB-CZ 4.4Å; C304-F306 WeakPolarHBondContact O-CE2 3.13Å; C304-A317 CarbonylContact O-C 3.49Å; C304-A317 WeakPolarHBondContact O-CA 3.39Å; C304-I318 PolarHBondContact N-O 2.95Å; C304-I318 PolarHBondContact O-N 3.35Å; C304-L338 HydrophobicContact CB-CD2 4.4Å; C304-I346 HydrophobicContact CB-CG2 4.16Å; C304-K347 WeakPolarHBondContact CA-O 3.43Å; C304-C348 HydrophobicContact CB-CB 4.23Å; C304-C348 WeakPolarHBondContact CB-SG 3.33Å; C304-C348 WeakPolarHBondContact SG-CB 3.42Å; C304-C348 CovalentContact SG-SG 2.05Å; C304-C348 PolarHBondContact SG-SG 3Å |
| 305 | Y | 94.6 | Very high | 87.4 | Confident | 53 Ų | 53 | 53.2 Ų | 53.2 | 21% | 0.208 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 150 | 172.3 | -57.5 | -104.8 | 0 | 0 | 0 | 109.1 | Q303 A317 I346 K347 Q349 | Q303-Y305 HydrophobicContact CB-CE2 4.28Å; Y305-A317 HydrophobicContact CD1-CB 3.85Å; Y305-A317 HydrophobicContact CD2-CB 4.04Å; Y305-A317 HydrophobicContact CE1-CB 3.71Å; Y305-A317 HydrophobicContact CE2-CB 3.89Å; Y305-A317 HydrophobicContact CG-CB 4.01Å; Y305-I346 CarbonylContact O-C 3.59Å; Y305-I346 WeakPolarHBondContact O-CA 3.32Å; Y305-K347 WeakPolarHBondContact CD2-O 3.25Å; Y305-K347 PolarHBondContact N-O 2.85Å; Y305-K347 PolarHBondContact O-N 2.96Å; Y305-Q349 HydrophobicContact CE2-CG 4.3Å |
| 306 | F | 93.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 145.2 | -176.3 | -61.2 | -94.1 | 0 | 0 | 0 | 109.9 | C304 E314 I318 L338 R341 A343 I346 | C304-F306 HydrophobicContact CB-CE2 4.39Å; C304-F306 HydrophobicContact CB-CZ 4.4Å; C304-F306 WeakPolarHBondContact O-CE2 3.13Å; F306-E314 HydrophobicContact CB-CG 4.48Å; F306-E314 WeakPolarHBondContact O-CB 3.47Å; F306-E314 WeakPolarHBondContact O-CG 3.44Å; F306-E314 PolarHBondContact O-N 2.91Å; F306-I318 HydrophobicContact CE2-CB 4.28Å; F306-I318 HydrophobicContact CE2-CD1 3.64Å; F306-I318 HydrophobicContact CE2-CG1 3.84Å; F306-I318 HydrophobicContact CZ-CD1 3.84Å; F306-I318 HydrophobicContact CZ-CG1 4.47Å; F306-L338 HydrophobicContact CE1-CB 4.4Å; F306-L338 HydrophobicContact CE1-CD2 4.48Å; F306-L338 HydrophobicContact CZ-CB 4.25Å; F306-L338 HydrophobicContact CZ-CD2 4Å; F306-R341 HydrophobicContact CD1-CB 3.8Å; F306-R341 HydrophobicContact CD2-CB 4.4Å; F306-R341 HydrophobicContact CD2-CG 4.3Å; F306-R341 HydrophobicContact CE1-CB 3.74Å; F306-R341 HydrophobicContact CE1-CG 4.38Å; F306-R341 HydrophobicContact CE2-CB 4.38Å; F306-R341 HydrophobicContact CE2-CG 4.16Å; F306-R341 HydrophobicContact CG-CB 4.14Å; F306-R341 HydrophobicContact CZ-CB 4.05Å; F306-R341 HydrophobicContact CZ-CG 4.19Å; F306-A343 HydrophobicContact CB-CB 4.14Å; F306-A343 HydrophobicContact CD1-CB 3.9Å; F306-I346 HydrophobicContact CD1-CD1 4.3Å; F306-I346 HydrophobicContact CD1-CG1 3.93Å; F306-I346 HydrophobicContact CE1-CD1 4.01Å; F306-I346 HydrophobicContact CE1-CG1 4.1Å; F306-I346 HydrophobicContact CE1-CG2 4.37Å |
| 307 | R | 92.5 | Very high | 86.9 | Confident | 48 Ų | 48 | 60 Ų | 60 | 18% | 0.181 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 121.2 | 172.8 | 178.8 | -179.7 | 71.1 | -172.9 | -4.1 | 107.7 | E274 E309 W313 A343 S344 A345 | E274-R307 IonicContact OE1-CZ 2.72Å; E274-R307 IonicContact OE1-NH1 3.25Å; E274-R307 IonicContact OE1-NH2 2.65Å; E274-R307 PolarHBondContact OE1-NH2 3.18Å; R307-E309 WeakPolarHBondContact CG-O 3.31Å; R307-W313 HydrophobicContact CB-CD2 3.95Å; R307-W313 HydrophobicContact CB-CE3 3.61Å; R307-W313 HydrophobicContact CB-CH2 3.9Å; R307-W313 HydrophobicContact CB-CZ2 4.25Å; R307-W313 HydrophobicContact CB-CZ3 3.57Å; R307-A343 CarbonylContact O-C 3.59Å; R307-A343 WeakPolarHBondContact O-CA 3.5Å; R307-S344 PolarHBondContact O-N 3.33Å; R307-S344 PolarHBondContact O-OG 3.28Å; R307-A345 HydrophobicContact CB-CB 4.38Å; R307-A345 PolarHBondContact N-O 2.88Å; R307-A345 VanDerWaalsContact NH2-CB 3.25Å; R307-A345 PolarHBondContact O-N 2.97Å |
| 308 | S | 82.1 | Confident | 86.8 | Confident | 41 Ų | 41 | 59.7 Ų | 59.7 | 29% | 0.287 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -100.2 | -52.4 | 179.2 | 47.7 | 0 | 0 | 0 | 0 | 110.8 | S344 | S308-S344 PolarHBondContact O-OG 3.33Š|
| 309 | E | 71.8 | Confident | 86.6 | Confident | 144 Ų | 144 | 62.2 Ų | 62.2 | 67% | 0.673 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -96.4 | 158.1 | 172.2 | -63 | -176.9 | -172.7 | 0 | 0 | 111.7 | R307 S311 | R307-E309 WeakPolarHBondContact CG-O 3.31Å; E309-S311 VanDerWaalsContact C-N 3.3Å; E309-S311 PolarHBondContact O-N 3.01Å |
| 310 | A | 64.7 | Low | 86.4 | Confident | 92 Ų | 92 | 65 Ų | 65 | 76% | 0.76 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -69.1 | -17.8 | -165 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 311 | S | 65.3 | Low | 86.3 | Confident | 101 Ų | 101 | 64.6 Ų | 64.6 | 71% | 0.706 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -93.3 | -37.4 | -166 | 43.3 | 0 | 0 | 0 | 0 | 116.1 | E309 | E309-S311 VanDerWaalsContact C-N 3.3Å; E309-S311 PolarHBondContact O-N 3.01Å |
| 312 | E | 80.4 | Confident | 85.9 | Confident | 156 Ų | 156 | 64.3 Ų | 64.3 | 73% | 0.729 | 36% | 0.359 | S | S | * | . | trans | -138.4 | 148 | -170.5 | -65.2 | -168.9 | 172.5 | 0 | 0 | 113.2 | ||||
| 313 | W | 86.1 | Confident | 85.2 | Confident | 78 Ų | 78 | 70.8 Ų | 70.8 | 30% | 0.295 | 40% | 0.399 | S | S | . | . | trans | -86.4 | 141 | 172.7 | -70.4 | 92.6 | 0 | 0 | 0 | 110.5 | M272 R307 A345 K347 | M272-W313 HydrophobicContact CG-CH2 3.97Å; M272-W313 HydrophobicContact CG-CZ2 4.11Å; M272-W313 HydrophobicContact SD-CH2 4.14Å; M272-W313 HydrophobicContact SD-CZ2 3.66Å; R307-W313 HydrophobicContact CB-CD2 3.95Å; R307-W313 HydrophobicContact CB-CE3 3.61Å; R307-W313 HydrophobicContact CB-CH2 3.9Å; R307-W313 HydrophobicContact CB-CZ2 4.25Å; R307-W313 HydrophobicContact CB-CZ3 3.57Å; W313-A345 HydrophobicContact CH2-CB 3.94Å; W313-K347 HydrophobicContact CE3-CB 4.07Å; W313-K347 HydrophobicContact CH2-CB 3.56Å; W313-K347 HydrophobicContact CH2-CD 4.47Å; W313-K347 HydrophobicContact CZ2-CB 4.1Å; W313-K347 HydrophobicContact CZ2-CD 4.17Å; W313-K347 HydrophobicContact CZ3-CB 3.52Å | ||
| 314 | E | 85.4 | Confident | 84.6 | Confident | 53 Ų | 53 | 71.7 Ų | 71.7 | 25% | 0.248 | 41% | 0.405 | C | S | . | . | trans | -60.4 | 127.2 | 172.5 | -68.4 | -176.4 | 173.7 | 0 | 0 | 110.2 | F306 N316 R341 | F306-E314 HydrophobicContact CB-CG 4.48Å; F306-E314 WeakPolarHBondContact O-CB 3.47Å; F306-E314 WeakPolarHBondContact O-CG 3.44Å; F306-E314 PolarHBondContact O-N 2.91Å; E314-N316 PolarHBondContact O-N 2.55Å; E314-R341 IonicContact OE2-CZ 2.89Å; E314-R341 IonicContact OE2-NE 2.81Å; E314-R341 PolarHBondContact OE2-NE 3.13Å; E314-R341 IonicContact OE2-NH2 3.16Å; E314-R341 PolarHBondContact OE2-NH2 3.31Å | ||
| 315 | P | 78.3 | Confident | 83.4 | Confident | 115 Ų | 115 | 73.5 Ų | 73.5 | 75% | 0.747 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -71.6 | -16 | -172.3 | 28 | -36.2 | 0 | 0 | 0 | 113.7 | ||
| 316 | N | 84 | Confident | 82.8 | Confident | 122 Ų | 122 | 75.2 Ų | 75.2 | 65% | 0.652 | 43% | 0.427 | S | S | * | . | trans | -102.4 | 89.8 | -177 | -65.9 | -40 | 0 | 0 | 0 | 110.6 | E314 R341 | E314-N316 PolarHBondContact O-N 2.55Å; N316-R341 PolarHBondContact O-NH2 2.86Å | ||
| 317 | A | 88.4 | Confident | 82.3 | Confident | 34 Ų | 34 | 81.4 Ų | 81.4 | 28% | 0.281 | 46% | 0.464 | S | S | . | . | trans | -62.1 | 150.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q303 C304 Y305 | Q303-A317 HydrophobicContact CB-CB 4.44Å; C304-A317 CarbonylContact O-C 3.49Å; C304-A317 WeakPolarHBondContact O-CA 3.39Å; Y305-A317 HydrophobicContact CD1-CB 3.85Å; Y305-A317 HydrophobicContact CD2-CB 4.04Å; Y305-A317 HydrophobicContact CE1-CB 3.71Å; Y305-A317 HydrophobicContact CE2-CB 3.89Å; Y305-A317 HydrophobicContact CG-CB 4.01Å | ||
| 318 | I | 89.8 | Confident | 81.9 | Confident | 19 Ų | 19 | 82.3 Ų | 82.3 | 10% | 0.097 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 106.5 | 162.6 | -63.9 | 178.4 | 0 | 0 | 0 | 107.2 | Q303 C304 F306 H339 R341 | Q303-I318 WeakPolarHBondContact CA-O 3.42Å; C304-I318 PolarHBondContact N-O 2.95Å; C304-I318 PolarHBondContact O-N 3.35Å; F306-I318 HydrophobicContact CE2-CB 4.28Å; F306-I318 HydrophobicContact CE2-CD1 3.64Å; F306-I318 HydrophobicContact CE2-CG1 3.84Å; F306-I318 HydrophobicContact CZ-CD1 3.84Å; F306-I318 HydrophobicContact CZ-CG1 4.47Å; I318-H339 HydrophobicContact CD1-CB 4.1Å; I318-R341 HydrophobicContact CD1-CG 4.05Å |
| 319 | S | 90.3 | Very high | 82.3 | Confident | 59 Ų | 59 | 83.3 Ų | 83.3 | 41% | 0.413 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 134 | 165.1 | 167.6 | 0 | 0 | 0 | 0 | 109.6 | E301 V302 | E301-S319 WeakPolarHBondContact OE1-CB 3.38Å; E301-S319 PolarHBondContact OE1-OG 2.99Å; V302-S319 CarbonylContact O-C 3.57Å; V302-S319 WeakPolarHBondContact O-CA 3.33Å |
| 320 | F | 91 | Very high | 83.1 | Confident | 59 Ų | 59 | 78.1 Ų | 78.1 | 26% | 0.259 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 97.5 | 172.6 | -173.8 | -103.1 | 0 | 0 | 0 | 109.7 | E301 V302 L322 V336 P337 | E301-F320 WeakPolarHBondContact CA-O 3.24Å; V302-F320 HydrophobicContact CG1-CB 4.07Å; V302-F320 PolarHBondContact N-O 3.18Å; V302-F320 VanDerWaalsContact N-O 3.11Å; V302-F320 PolarHBondContact O-N 2.85Å; F320-L322 HydrophobicContact CD1-CG 4.19Å; F320-L322 HydrophobicContact CE1-CD2 3.92Å; F320-L322 HydrophobicContact CE1-CG 4.03Å; F320-V336 HydrophobicContact CB-CG1 4.13Å; F320-V336 HydrophobicContact CD1-CG1 4.36Å; F320-V336 HydrophobicContact CD1-CG2 4.34Å; F320-V336 HydrophobicContact CG-CG1 4.34Å; F320-P337 HydrophobicContact CD2-CG 3.84Å; F320-P337 HydrophobicContact CE2-CG 3.82Å |
| 321 | P | 90.8 | Very high | 84.4 | Confident | 89 Ų | 89 | 74.4 Ų | 74.4 | 58% | 0.578 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 145.7 | 174.1 | 31.6 | -34.3 | 0 | 0 | 0 | 111 | ||
| 322 | L | 88 | Confident | 85.6 | Confident | 40 Ų | 40 | 72.7 Ų | 72.7 | 21% | 0.209 | 41% | 0.406 | C | S | . | . | trans | -111.6 | 141.8 | -176.1 | -83.3 | 147.2 | 0 | 0 | 0 | 112.1 | F299 K300 F320 L324 V334 | F299-L322 HydrophobicContact CD2-CD1 3.34Å; F299-L322 HydrophobicContact CE2-CD1 3.23Å; F299-L322 HydrophobicContact CG-CD1 4.18Å; F299-L322 HydrophobicContact CZ-CD1 4.01Å; F299-L322 VanDerWaalsContact O-CD1 3.27Å; F299-L322 WeakPolarHBondContact O-CD1 3.45Å; K300-L322 PolarHBondContact O-N 2.74Å; F320-L322 HydrophobicContact CD1-CG 4.19Å; F320-L322 HydrophobicContact CE1-CD2 3.92Å; F320-L322 HydrophobicContact CE1-CG 4.03Å; L322-L324 PolarHBondContact O-N 2.7Å; L322-V334 HydrophobicContact CD1-CG1 3.71Å; L322-V334 HydrophobicContact CD2-CG1 3.75Å; L322-V334 HydrophobicContact CG-CG1 4.37Å | ||
| 323 | V | 81.4 | Confident | 86.1 | Confident | 137 Ų | 137 | 68.1 Ų | 68.1 | 83% | 0.83 | 38% | 0.383 | S | S | * | . | trans | -76 | 111 | 164.4 | -177.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 324 | L | 81.7 | Confident | 86.3 | Confident | 64 Ų | 64 | 64.8 Ų | 64.8 | 34% | 0.335 | 37% | 0.372 | S | S | . | . | trans | -67 | 132.6 | 177.3 | -63.2 | 177.2 | 0 | 0 | 0 | 110.3 | I298 K300 L322 A353 | I298-L324 HydrophobicContact CD1-CD2 4.44Å; I298-L324 HydrophobicContact CG1-CD2 3.96Å; K300-L324 HydrophobicContact CB-CD1 4.44Å; K300-L324 HydrophobicContact CB-CD2 4.18Å; L322-L324 PolarHBondContact O-N 2.7Å; L324-A353 HydrophobicContact CD1-CB 3.89Å; L324-A353 HydrophobicContact CD2-CB 3.67Å; L324-A353 HydrophobicContact CG-CB 4.46Å | ||
| 325 | D | 72.4 | Confident | 86.6 | Confident | 39 Ų | 39 | 65.5 Ų | 65.5 | 21% | 0.209 | 38% | 0.38 | C | S | . | . | trans | -100.4 | 96.8 | 175.9 | -178 | -4.6 | 0 | 0 | 0 | 109.5 | N290 V327 N328 R332 | N290-D325 PolarHBondContact ND2-O 2.69Å; D325-V327 VanDerWaalsContact C-N 3.26Å; D325-V327 WeakPolarHBondContact OD1-CA 3.29Å; D325-V327 WeakPolarHBondContact OD1-CB 3.45Å; D325-V327 PolarHBondContact OD1-N 2.57Å; D325-N328 PolarHBondContact OD1-N 2.67Å; D325-N328 WeakPolarHBondContact OD2-CB 3.2Å; D325-R332 IonicContact OD2-CZ 3.55Å; D325-R332 VanDerWaalsContact OD2-CZ 3.24Å; D325-R332 IonicContact OD2-NH1 2.79Å; D325-R332 PolarHBondContact OD2-NH1 3.35Å; D325-R332 IonicContact OD2-NH2 2.71Å; D325-R332 PolarHBondContact OD2-NH2 3.03Å | ||
| 326 | D | 80.8 | Confident | 87.3 | Confident | 90 Ų | 90 | 60.1 Ų | 60.1 | 48% | 0.481 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -89.8 | 13.6 | 176.8 | -70 | -8.2 | 0 | 0 | 0 | 112.3 | F292 K297 | F292-D326 WeakPolarHBondContact CZ-O 3.4Å; K297-D326 WeakPolarHBondContact CE-OD1 3.34Å; K297-D326 VanDerWaalsContact NZ-CG 3.29Å; K297-D326 IonicContact NZ-OD1 2.88Å; K297-D326 PolarHBondContact NZ-OD1 2.93Å; K297-D326 IonicContact NZ-OD2 3.14Å; K297-D326 PolarHBondContact NZ-OD2 3.16Å |
| 327 | V | 82.8 | Confident | 87.7 | Confident | 129 Ų | 129 | 56.1 Ų | 56.1 | 78% | 0.782 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -111.5 | -46.5 | -176.8 | -176.3 | 0 | 0 | 0 | 0 | 111.5 | D325 | D325-V327 VanDerWaalsContact C-N 3.26Å; D325-V327 WeakPolarHBondContact OD1-CA 3.29Å; D325-V327 WeakPolarHBondContact OD1-CB 3.45Å; D325-V327 PolarHBondContact OD1-N 2.57Å |
| 328 | N | 85.6 | Confident | 87.8 | Confident | 67 Ų | 67 | 54.5 Ų | 54.5 | 36% | 0.358 | 31% | 0.312 | S | S | . | . | trans | -101.7 | 114 | -178.7 | 179.6 | 7.9 | 0 | 0 | 0 | 111.6 | N290 D325 S330 R332 | N290-N328 PolarHBondContact ND2-O 2.97Å; D325-N328 PolarHBondContact OD1-N 2.67Å; D325-N328 WeakPolarHBondContact OD2-CB 3.2Å; N328-S330 VanDerWaalsContact C-N 3.27Å; N328-S330 PolarHBondContact O-N 3.33Å; N328-S330 WeakPolarHBondContact OD1-CB 3.38Å; N328-S330 PolarHBondContact OD1-N 2.88Å; N328-S330 PolarHBondContact OD1-OG 2.78Å; N328-R332 PolarHBondContact O-NH2 3.1Å | ||
| 329 | P | 88.4 | Confident | 87.8 | Confident | 62 Ų | 62 | 59.4 Ų | 59.4 | 40% | 0.403 | 33% | 0.334 | S | S | . | . | trans | -76.2 | -9 | -179.1 | 32.8 | -36.8 | 0 | 0 | 0 | 114.3 | N290 F292 | N290-P329 CarbonylContact C-O 3.59Å; N290-P329 WeakPolarHBondContact O-CA 3.41Å; F292-P329 HydrophobicContact CE1-CB 4.05Å; F292-P329 HydrophobicContact CZ-CB 4.38Å | ||
| 330 | S | 89.6 | Confident | 87.7 | Confident | 35 Ų | 35 | 62.2 Ų | 62.2 | 25% | 0.245 | 34% | 0.341 | C | S | . | . | trans | -63.3 | 142.2 | -175.5 | -65.5 | 0 | 0 | 0 | 0 | 113.6 | D240 N328 R332 | D240-S330 VanDerWaalsContact CG-CA 3.48Å; D240-S330 VanDerWaalsContact OD1-CA 3.25Å; D240-S330 WeakPolarHBondContact OD1-CA 3.39Å; D240-S330 WeakPolarHBondContact OD1-CB 3.25Å; D240-S330 WeakPolarHBondContact OD2-CA 3.35Å; D240-S330 WeakPolarHBondContact OD2-CB 3.47Å; D240-S330 PolarHBondContact OD2-OG 2.78Å; N328-S330 VanDerWaalsContact C-N 3.27Å; N328-S330 PolarHBondContact O-N 3.33Å; N328-S330 WeakPolarHBondContact OD1-CB 3.38Å; N328-S330 PolarHBondContact OD1-N 2.88Å; N328-S330 PolarHBondContact OD1-OG 2.78Å; S330-R332 PolarHBondContact O-NE 2.85Å | ||
| 331 | A | 91.2 | Very high | 87.6 | Confident | 14 Ų | 14 | 62.5 Ų | 62.5 | 12% | 0.116 | 34% | 0.34 | C | S | . | . | trans | -66.8 | 149.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | D240 Y256 C288 | D240-A331 PolarHBondContact OD1-N 2.93Å; Y256-A331 VanDerWaalsContact OH-CB 3.29Å; Y256-A331 WeakPolarHBondContact OH-CB 3.46Å; C288-A331 CarbonylContact O-C 3.5Å; C288-A331 VanDerWaalsContact O-CA 3.22Å; C288-A331 WeakPolarHBondContact O-CA 3.12Å; C288-A331 WeakPolarHBondContact O-CB 3.48Å | ||
| 332 | R | 90.6 | Very high | 87.5 | Confident | 66 Ų | 66 | 61.4 Ų | 61.4 | 25% | 0.249 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 156.7 | -171.8 | 66.4 | -170.6 | 79.4 | 175.7 | 9.2 | 113.4 | H287 C288 D325 N328 S330 V334 | H287-R332 WeakPolarHBondContact CA-O 3.45Å; H287-R332 VanDerWaalsContact CD2-C 3.42Å; H287-R332 PolarHBondContact NE2-N 2.69Å; C288-R332 PolarHBondContact N-O 2.99Å; C288-R332 PolarHBondContact O-N 3.4Å; D325-R332 IonicContact OD2-CZ 3.55Å; D325-R332 VanDerWaalsContact OD2-CZ 3.24Å; D325-R332 IonicContact OD2-NH1 2.79Å; D325-R332 PolarHBondContact OD2-NH1 3.35Å; D325-R332 IonicContact OD2-NH2 2.71Å; D325-R332 PolarHBondContact OD2-NH2 3.03Å; N328-R332 PolarHBondContact O-NH2 3.1Å; S330-R332 PolarHBondContact O-NE 2.85Å; R332-V334 PolarHBondContact O-N 2.66Å |
| 333 | F | 91.3 | Very high | 87.7 | Confident | 59 Ų | 59 | 59.5 Ų | 59.5 | 26% | 0.259 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 111.7 | 166.4 | -76.5 | -78.9 | 0 | 0 | 0 | 111.6 | S237 K285 V286 H287 E361 | S237-F333 WeakPolarHBondContact OG-CZ 3.34Å; K285-F333 HydrophobicContact CB-CD1 3.86Å; V286-F333 CarbonylContact O-C 3.54Å; V286-F333 WeakPolarHBondContact O-CA 3.23Å; H287-F333 HydrophobicContact CB-CD1 3.89Å; H287-F333 HydrophobicContact CB-CE1 3.66Å; H287-F333 HydrophobicContact CB-CE2 4.42Å; H287-F333 HydrophobicContact CB-CG 4.41Å; H287-F333 HydrophobicContact CB-CZ 3.93Å; H287-F333 AromaticContact CD2-CD2 3.66Å; H287-F333 AromaticContact CD2-CE2 3.67Å; F333-E361 HydrophobicContact CE1-CB 4.22Å; F333-E361 HydrophobicContact CE1-CG 3.91Å; F333-E361 HydrophobicContact CZ-CB 4.33Å; F333-E361 HydrophobicContact CZ-CG 4Å |
| 334 | V | 91.4 | Very high | 88.2 | Confident | 9 Ų | 9 | 54.3 Ų | 54.3 | 6% | 0.055 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 117.3 | 165.3 | 179.8 | 0 | 0 | 0 | 0 | 108.4 | K285 V286 C288 I298 F299 L322 R332 V336 | K285-V334 WeakPolarHBondContact CA-O 3.47Å; V286-V334 PolarHBondContact N-O 2.72Å; V286-V334 PolarHBondContact O-N 3.38Å; C288-V334 HydrophobicContact CB-CG2 4.33Å; I298-V334 HydrophobicContact CB-CG2 4.43Å; I298-V334 HydrophobicContact CG2-CG2 4.32Å; F299-V334 HydrophobicContact CE1-CB 4.22Å; F299-V334 HydrophobicContact CE1-CG1 4.18Å; F299-V334 HydrophobicContact CE1-CG2 4.48Å; F299-V334 HydrophobicContact CE2-CG1 4.12Å; F299-V334 HydrophobicContact CZ-CB 4.07Å; F299-V334 HydrophobicContact CZ-CG1 3.59Å; L322-V334 HydrophobicContact CD1-CG1 3.71Å; L322-V334 HydrophobicContact CD2-CG1 3.75Å; L322-V334 HydrophobicContact CG-CG1 4.37Å; R332-V334 PolarHBondContact O-N 2.66Å; V334-V336 HydrophobicContact CG1-CG2 4.34Å |
| 335 | T | 91.8 | Very high | 88.8 | Confident | 68 Ų | 68 | 51.2 Ų | 51.2 | 42% | 0.417 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 124.4 | 178.4 | -57.3 | 0 | 0 | 0 | 0 | 110.6 | T283 M284 K285 | T283-T335 HydrophobicContact CG2-CG2 3.88Å; M284-T335 WeakPolarHBondContact O-CA 3.22Å; K285-T335 HydrophobicContact CG-CG2 4.28Å |
| 336 | V | 92.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 120.9 | -176 | -178.6 | 0 | 0 | 0 | 0 | 109 | T283 M284 F299 V302 F320 V334 L338 | T283-V336 CarbonylContact C-O 3.56Å; T283-V336 WeakPolarHBondContact CA-O 3.37Å; M284-V336 HydrophobicContact CB-CB 4.42Å; M284-V336 HydrophobicContact CE-CB 3.9Å; M284-V336 HydrophobicContact CE-CG1 4.09Å; M284-V336 HydrophobicContact CE-CG2 3.87Å; M284-V336 PolarHBondContact N-O 2.82Å; M284-V336 PolarHBondContact O-N 3.4Å; F299-V336 HydrophobicContact CE2-CG2 4.28Å; F299-V336 HydrophobicContact CZ-CG2 4.07Å; V302-V336 HydrophobicContact CG1-CB 4.46Å; V302-V336 HydrophobicContact CG1-CG1 3.69Å; V302-V336 HydrophobicContact CG1-CG2 3.88Å; F320-V336 HydrophobicContact CB-CG1 4.13Å; F320-V336 HydrophobicContact CD1-CG1 4.36Å; F320-V336 HydrophobicContact CD1-CG2 4.34Å; F320-V336 HydrophobicContact CG-CG1 4.34Å; V334-V336 HydrophobicContact CG1-CG2 4.34Å; V336-L338 HydrophobicContact CG1-CD2 4.33Å; V336-L338 PolarHBondContact O-N 2.64Å |
| 337 | P | 92.1 | Very high | 90.6 | Very high | 38 Ų | 38 | 46.7 Ų | 46.7 | 25% | 0.247 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 122.7 | 179.4 | 29.3 | -33 | 0 | 0 | 0 | 111.8 | F320 H339 | F320-P337 HydrophobicContact CD2-CG 3.84Å; F320-P337 HydrophobicContact CE2-CG 3.82Å; P337-H339 PolarHBondContact O-CE1 3.46Å; P337-H339 PolarHBondContact O-ND1 3.04Å |
| 338 | L | 91.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 1.7 | 178.6 | -58.5 | -176.8 | 0 | 0 | 0 | 113.2 | F281 T282 M284 C304 F306 V336 H340 R341 I346 F364 | F281-L338 HydrophobicContact CB-CB 3.86Å; F281-L338 HydrophobicContact CB-CD1 3.73Å; F281-L338 HydrophobicContact CB-CG 4.48Å; F281-L338 HydrophobicContact CD1-CD1 4.25Å; F281-L338 HydrophobicContact CG-CD1 4.28Å; F281-L338 CarbonylContact O-C 3.41Å; F281-L338 WeakPolarHBondContact O-CB 3.48Å; T282-L338 PolarHBondContact O-N 3.1Å; M284-L338 HydrophobicContact CB-CD1 3.84Å; M284-L338 HydrophobicContact CB-CD2 4.41Å; M284-L338 HydrophobicContact CB-CG 4.21Å; C304-L338 HydrophobicContact CB-CD2 4.4Å; F306-L338 HydrophobicContact CE1-CB 4.4Å; F306-L338 HydrophobicContact CE1-CD2 4.48Å; F306-L338 HydrophobicContact CZ-CB 4.25Å; F306-L338 HydrophobicContact CZ-CD2 4Å; V336-L338 HydrophobicContact CG1-CD2 4.33Å; V336-L338 PolarHBondContact O-N 2.64Å; L338-H340 VanDerWaalsContact C-N 3.31Å; L338-H340 PolarHBondContact O-N 3.5Å; L338-R341 WeakPolarHBondContact O-CG 3.38Å; L338-R341 PolarHBondContact O-N 2.94Å; L338-I346 HydrophobicContact CD1-CD1 3.96Å; L338-F364 HydrophobicContact CD1-CD1 4.08Å; L338-F364 HydrophobicContact CD1-CE1 4.44Å |
| 339 | H | 88.9 | Confident | 91.8 | Very high | 123 Ų | 123 | 38 Ų | 38 | 57% | 0.569 | 19% | 0.194 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 58 | 33 | 164.4 | -60.9 | 88.5 | 0 | 0 | 0 | 115.6 | T282 I318 P337 R341 | T282-H339 PolarHBondContact O-N 3.01Å; I318-H339 HydrophobicContact CD1-CB 4.1Å; P337-H339 PolarHBondContact O-CE1 3.46Å; P337-H339 PolarHBondContact O-ND1 3.04Å; H339-R341 VanDerWaalsContact C-N 3.31Å; H339-R341 PolarHBondContact O-N 3.49Å |
| 340 | H | 88.6 | Confident | 92.2 | Very high | 118 Ų | 118 | 35 Ų | 35 | 55% | 0.546 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 59.9 | 35.4 | 178.8 | -62 | -83.1 | 0 | 0 | 0 | 114 | N280 F281 T282 L338 | N280-H340 WeakPolarHBondContact OD1-CA 3.47Å; N280-H340 VanDerWaalsContact OD1-CB 3.22Å; N280-H340 WeakPolarHBondContact OD1-CB 3.4Å; N280-H340 PolarHBondContact OD1-ND1 3.23Å; N280-H340 PolarHBondContact OD1-O 3.34Å; F281-H340 WeakPolarHBondContact O-CA 3.24Å; F281-H340 PolarHBondContact O-N 2.94Å; T282-H340 VanDerWaalsContact CG2-CE1 3.47Å; T282-H340 WeakPolarHBondContact CG2-CE1 3.41Å; L338-H340 VanDerWaalsContact C-N 3.31Å; L338-H340 PolarHBondContact O-N 3.5Å |
| 341 | R | 87.9 | Confident | 92.5 | Very high | 65 Ų | 65 | 34.7 Ų | 34.7 | 25% | 0.245 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 140.7 | 174.4 | -74.9 | -74.2 | -101.8 | -74.7 | -2.5 | 111.2 | F281 F306 E314 N316 I318 L338 H339 | F281-R341 PolarHBondContact N-O 3.44Å; F306-R341 HydrophobicContact CD1-CB 3.8Å; F306-R341 HydrophobicContact CD2-CB 4.4Å; F306-R341 HydrophobicContact CD2-CG 4.3Å; F306-R341 HydrophobicContact CE1-CB 3.74Å; F306-R341 HydrophobicContact CE1-CG 4.38Å; F306-R341 HydrophobicContact CE2-CB 4.38Å; F306-R341 HydrophobicContact CE2-CG 4.16Å; F306-R341 HydrophobicContact CG-CB 4.14Å; F306-R341 HydrophobicContact CZ-CB 4.05Å; F306-R341 HydrophobicContact CZ-CG 4.19Å; E314-R341 IonicContact OE2-CZ 2.89Å; E314-R341 IonicContact OE2-NE 2.81Å; E314-R341 PolarHBondContact OE2-NE 3.13Å; E314-R341 IonicContact OE2-NH2 3.16Å; E314-R341 PolarHBondContact OE2-NH2 3.31Å; N316-R341 PolarHBondContact O-NH2 2.86Å; I318-R341 HydrophobicContact CD1-CG 4.05Å; L338-R341 WeakPolarHBondContact O-CG 3.38Å; L338-R341 PolarHBondContact O-N 2.94Å; H339-R341 VanDerWaalsContact C-N 3.31Å; H339-R341 PolarHBondContact O-N 3.49Å |
| 342 | M | 90.3 | Very high | 92.7 | Very high | 66 Ų | 66 | 34.1 Ų | 34.1 | 33% | 0.325 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 119.4 | 176.8 | -59 | -52.5 | -50.2 | 0 | 0 | 110.2 | I278 R279 N280 A369 | I278-M342 HydrophobicContact CG2-CB 4.32Å; I278-M342 HydrophobicContact CG2-CE 3.92Å; R279-M342 CarbonylContact O-C 3.55Å; R279-M342 WeakPolarHBondContact O-CA 3.41Å; N280-M342 HydrophobicContact CB-CE 3.85Å; N280-M342 HydrophobicContact CB-SD 3.47Å; N280-M342 WeakPolarHBondContact CB-SD 3.44Å; M342-A369 HydrophobicContact CE-CB 3.59Å |
| 343 | A | 91.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 154.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | I278 R279 F281 F306 R307 I346 | I278-A343 CarbonylContact C-O 3.51Å; I278-A343 WeakPolarHBondContact CA-O 3.33Å; R279-A343 PolarHBondContact N-O 3.08Å; R279-A343 PolarHBondContact O-N 3.4Å; F281-A343 HydrophobicContact CD2-CB 4.15Å; F281-A343 HydrophobicContact CE2-CB 3.97Å; F306-A343 HydrophobicContact CB-CB 4.14Å; F306-A343 HydrophobicContact CD1-CB 3.9Å; R307-A343 CarbonylContact O-C 3.59Å; R307-A343 WeakPolarHBondContact O-CA 3.5Å; A343-I346 HydrophobicContact CB-CG1 4.31Å |
| 344 | S | 92.3 | Very high | 92.8 | Very high | 27 Ų | 27 | 31.8 Ų | 31.8 | 19% | 0.189 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | -20.2 | 164.2 | 52.5 | 0 | 0 | 0 | 0 | 112 | F275 R307 S308 | F275-S344 PolarHBondContact N-O 3.03Å; R307-S344 PolarHBondContact O-N 3.33Å; R307-S344 PolarHBondContact O-OG 3.28Å; S308-S344 PolarHBondContact O-OG 3.33Å |
| 345 | A | 94.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 151.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F273 E274 R307 W313 | F273-A345 CarbonylContact O-C 3.59Å; F273-A345 WeakPolarHBondContact O-CA 3.25Å; F273-A345 VanDerWaalsContact O-CB 3.29Å; F273-A345 WeakPolarHBondContact O-CB 3.26Å; E274-A345 HydrophobicContact CG-CB 4.1Å; R307-A345 HydrophobicContact CB-CB 4.38Å; R307-A345 PolarHBondContact N-O 2.88Å; R307-A345 VanDerWaalsContact NH2-CB 3.25Å; R307-A345 PolarHBondContact O-N 2.97Å; W313-A345 HydrophobicContact CH2-CB 3.94Å |
| 346 | I | 95.2 | Very high | 93 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 140 | 177.6 | -56.1 | 176.8 | 0 | 0 | 0 | 108.2 | M272 F273 F275 F281 C304 Y305 F306 L338 A343 C348 F364 | M272-I346 CarbonylContact C-O 3.53Å; M272-I346 WeakPolarHBondContact CA-O 3.48Å; F273-I346 HydrophobicContact CB-CB 4.49Å; F273-I346 PolarHBondContact N-O 3.34Å; F273-I346 PolarHBondContact O-N 2.68Å; F275-I346 HydrophobicContact CE2-CB 4.29Å; F275-I346 HydrophobicContact CE2-CD1 3.98Å; F275-I346 HydrophobicContact CE2-CG1 3.9Å; F275-I346 HydrophobicContact CZ-CD1 4.21Å; F281-I346 HydrophobicContact CB-CD1 4.42Å; F281-I346 HydrophobicContact CD1-CD1 3.69Å; F281-I346 HydrophobicContact CD2-CD1 3.83Å; F281-I346 HydrophobicContact CE1-CD1 3.81Å; F281-I346 HydrophobicContact CE2-CD1 3.93Å; F281-I346 HydrophobicContact CE2-CG1 4.36Å; F281-I346 HydrophobicContact CG-CD1 3.7Å; F281-I346 HydrophobicContact CZ-CD1 3.92Å; C304-I346 HydrophobicContact CB-CG2 4.16Å; Y305-I346 CarbonylContact O-C 3.59Å; Y305-I346 WeakPolarHBondContact O-CA 3.32Å; F306-I346 HydrophobicContact CD1-CD1 4.3Å; F306-I346 HydrophobicContact CD1-CG1 3.93Å; F306-I346 HydrophobicContact CE1-CD1 4.01Å; F306-I346 HydrophobicContact CE1-CG1 4.1Å; F306-I346 HydrophobicContact CE1-CG2 4.37Å; L338-I346 HydrophobicContact CD1-CD1 3.96Å; A343-I346 HydrophobicContact CB-CG1 4.31Å; I346-C348 VanDerWaalsContact CG2-SG 3.58Å; I346-F364 HydrophobicContact CD1-CD1 4.1Å; I346-F364 HydrophobicContact CD1-CE1 4.04Å |
| 347 | K | 95.6 | Very high | 93.2 | Very high | 33 Ų | 33 | 31.4 Ų | 31.4 | 14% | 0.143 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 108.5 | 176.6 | -173.7 | -179.9 | 80.8 | 112.5 | 0 | 109.2 | E270 I271 M272 C304 Y305 W313 | E270-K347 VanDerWaalsContact CD-NZ 3.25Å; E270-K347 HydrophobicContact CG-CD 4.16Å; E270-K347 HydrophobicContact CG-CG 3.7Å; E270-K347 WeakPolarHBondContact OE1-CD 3.44Å; E270-K347 IonicContact OE1-NZ 3.36Å; E270-K347 PolarHBondContact OE1-NZ 2.73Å; E270-K347 IonicContact OE2-NZ 3.48Å; E270-K347 PolarHBondContact OE2-NZ 2.79Å; I271-K347 WeakPolarHBondContact O-CA 3.23Å; M272-K347 HydrophobicContact CB-CG 4.3Å; M272-K347 HydrophobicContact CG-CB 4.28Å; M272-K347 HydrophobicContact CG-CG 4.43Å; C304-K347 WeakPolarHBondContact CA-O 3.43Å; Y305-K347 WeakPolarHBondContact CD2-O 3.25Å; Y305-K347 PolarHBondContact N-O 2.85Å; Y305-K347 PolarHBondContact O-N 2.96Å; W313-K347 HydrophobicContact CE3-CB 4.07Å; W313-K347 HydrophobicContact CH2-CB 3.56Å; W313-K347 HydrophobicContact CH2-CD 4.47Å; W313-K347 HydrophobicContact CZ2-CB 4.1Å; W313-K347 HydrophobicContact CZ2-CD 4.17Å; W313-K347 HydrophobicContact CZ3-CB 3.52Å |
| 348 | C | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 127.5 | -176.3 | -65.3 | 0 | 0 | 0 | 0 | 111 | I271 F273 V302 Q303 C304 I346 Y350 | I271-C348 PolarHBondContact N-O 2.85Å; I271-C348 PolarHBondContact O-N 3.18Å; F273-C348 HydrophobicContact CE2-CB 4.38Å; V302-C348 HydrophobicContact CG2-CB 3.81Å; Q303-C348 WeakPolarHBondContact O-CA 3.37Å; C304-C348 HydrophobicContact CB-CB 4.23Å; C304-C348 WeakPolarHBondContact CB-SG 3.33Å; C304-C348 WeakPolarHBondContact SG-CB 3.42Å; C304-C348 CovalentContact SG-SG 2.05Å; C304-C348 PolarHBondContact SG-SG 3Å; I346-C348 VanDerWaalsContact CG2-SG 3.58Å; C348-Y350 HydrophobicContact CB-CD2 4.33Å; C348-Y350 HydrophobicContact CB-CE1 4.39Å; C348-Y350 HydrophobicContact CB-CE2 3.53Å; C348-Y350 WeakPolarHBondContact O-CD2 3.44Å; C348-Y350 WeakPolarHBondContact O-CE2 3.47Å |
| 349 | Q | 96.4 | Very high | 93.6 | Very high | 13 Ų | 13 | 29.7 Ų | 29.7 | 6% | 0.061 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 113.7 | 174.3 | -65.9 | 176.9 | -21.2 | 0 | 0 | 108.6 | Y268 I269 E270 V302 Q303 Y305 | Y268-Q349 HydrophobicContact CD2-CB 3.75Å; Y268-Q349 HydrophobicContact CD2-CG 3.83Å; Y268-Q349 HydrophobicContact CE2-CB 4.11Å; Y268-Q349 HydrophobicContact CE2-CG 3.67Å; Y268-Q349 HydrophobicContact CG-CB 4.16Å; Y268-Q349 PolarHBondContact OH-NE2 3.19Å; I269-Q349 CarbonylContact O-C 3.59Å; I269-Q349 WeakPolarHBondContact O-CA 3.29Å; E270-Q349 HydrophobicContact CB-CG 4.3Å; E270-Q349 HydrophobicContact CG-CG 4.17Å; E270-Q349 WeakPolarHBondContact OE2-CG 3.41Å; E270-Q349 PolarHBondContact OE2-NE2 2.94Å; V302-Q349 CarbonylContact C-O 3.39Å; V302-Q349 VanDerWaalsContact CA-O 3.29Å; V302-Q349 WeakPolarHBondContact CA-O 3.4Å; Q303-Q349 HydrophobicContact CB-CB 4.42Å; Q303-Q349 PolarHBondContact N-O 2.85Å; Q303-Q349 PolarHBondContact O-N 3.17Å; Y305-Q349 HydrophobicContact CE2-CG 4.3Å |
| 350 | Y | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 115.2 | -176.4 | -56.3 | -96 | 0 | 0 | 0 | 109.8 | Y268 I269 I271 M284 V286 F299 V302 C348 F359 | Y268-Y350 WeakPolarHBondContact CA-O 3.36Å; Y268-Y350 VanDerWaalsContact CB-O 3.24Å; Y268-Y350 WeakPolarHBondContact CB-O 3.18Å; I269-Y350 HydrophobicContact CG1-CD2 4.15Å; I269-Y350 PolarHBondContact N-O 3.17Å; I269-Y350 VanDerWaalsContact N-O 3.07Å; I269-Y350 PolarHBondContact O-N 2.95Å; I271-Y350 HydrophobicContact CB-CE2 4.07Å; I271-Y350 HydrophobicContact CD1-CD2 4.33Å; I271-Y350 HydrophobicContact CD1-CE2 3.95Å; I271-Y350 HydrophobicContact CG1-CD2 4.32Å; I271-Y350 HydrophobicContact CG1-CE2 4.02Å; M284-Y350 HydrophobicContact CE-CE1 4.02Å; M284-Y350 PolarHBondContact SD-OH 2.91Å; V286-Y350 HydrophobicContact CG2-CE1 4.02Å; F299-Y350 AromaticContact CD1-CD1 3.87Å; F299-Y350 HydrophobicContact CD1-CD1 3.87Å; F299-Y350 HydrophobicContact CD2-CD1 4.14Å; F299-Y350 AromaticContact CE1-CD1 3.87Å; F299-Y350 HydrophobicContact CE1-CD1 3.87Å; F299-Y350 HydrophobicContact CE1-CE1 4.16Å; F299-Y350 HydrophobicContact CE2-CD1 4.13Å; F299-Y350 HydrophobicContact CG-CD1 4.02Å; F299-Y350 HydrophobicContact CZ-CD1 4Å; F299-Y350 HydrophobicContact CZ-CE1 4.13Å; V302-Y350 HydrophobicContact CB-CD1 3.95Å; V302-Y350 HydrophobicContact CB-CE1 4.25Å; V302-Y350 HydrophobicContact CG2-CD1 3.54Å; V302-Y350 HydrophobicContact CG2-CE1 3.55Å; V302-Y350 HydrophobicContact CG2-CG 4.07Å; C348-Y350 HydrophobicContact CB-CD2 4.33Å; C348-Y350 HydrophobicContact CB-CE1 4.39Å; C348-Y350 HydrophobicContact CB-CE2 3.53Å; C348-Y350 WeakPolarHBondContact O-CD2 3.44Å; C348-Y350 WeakPolarHBondContact O-CE2 3.47Å; Y350-F359 HydrophobicContact CD1-CE2 4.16Å; Y350-F359 AromaticContact CD1-CZ 3.88Å; Y350-F359 HydrophobicContact CD1-CZ 3.88Å; Y350-F359 HydrophobicContact CD2-CE2 4.22Å; Y350-F359 HydrophobicContact CE1-CE2 4.37Å; Y350-F359 HydrophobicContact CE1-CZ 4.39Å; Y350-F359 HydrophobicContact CE2-CE2 4.43Å; Y350-F359 HydrophobicContact CG-CE2 4.08Å; Y350-F359 AromaticContact CG-CZ 3.97Å; Y350-F359 HydrophobicContact CG-CZ 3.97Å |
| 351 | H | 96 | Very high | 94.1 | Very high | 28 Ų | 28 | 18.5 Ų | 18.5 | 13% | 0.13 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 133.4 | -176.6 | -66.5 | -88.5 | 0 | 0 | 0 | 112.2 | Y268 F299 K300 E301 | Y268-H351 AromaticContact CD1-CE1 3.52Å; Y268-H351 AromaticContact CD1-ND1 3.91Å; F299-H351 WeakPolarHBondContact CA-O 3.37Å; F299-H351 WeakPolarHBondContact CB-O 3.45Å; K300-H351 HydrophobicContact CD-CB 4.49Å; K300-H351 HydrophobicContact CG-CB 3.96Å; K300-H351 PolarHBondContact N-O 2.83Å; E301-H351 HydrophobicContact CB-CB 4.34Å; E301-H351 PolarHBondContact O-N 3.11Å |
| 352 | F | 95.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 15.4 Ų | 15.4 | 1% | 0.013 | 9% | 0.085 | C | C | . | . | trans | -65.6 | 136.7 | 179.5 | -70.1 | -91.4 | 0 | 0 | 0 | 112.5 | W259 N261 A264 G267 I269 K300 M357 | W259-F352 HydrophobicContact CB-CZ 4.15Å; W259-F352 WeakPolarHBondContact O-CE1 3.45Å; N261-F352 HydrophobicContact CB-CB 4.03Å; N261-F352 HydrophobicContact CB-CD1 3.7Å; N261-F352 HydrophobicContact CB-CD2 4.12Å; N261-F352 HydrophobicContact CB-CE1 4.14Å; N261-F352 HydrophobicContact CB-CG 3.69Å; N261-F352 VanDerWaalsContact CG-CB 3.49Å; N261-F352 WeakPolarHBondContact ND2-CB 3.39Å; A264-F352 HydrophobicContact CB-CD2 4.42Å; A264-F352 HydrophobicContact CB-CE2 3.64Å; A264-F352 HydrophobicContact CB-CZ 4.4Å; G267-F352 PolarHBondContact O-N 2.98Å; I269-F352 HydrophobicContact CG2-CE2 3.87Å; I269-F352 HydrophobicContact CG2-CZ 3.74Å; K300-F352 VanDerWaalsContact CD-O 3.25Å; K300-F352 WeakPolarHBondContact CD-O 3.29Å; K300-F352 WeakPolarHBondContact CE-O 3.34Å; K300-F352 PolarHBondContact NZ-O 2.86Å; F352-M357 HydrophobicContact CD1-CB 3.7Å; F352-M357 HydrophobicContact CD1-CE 4.07Å; F352-M357 HydrophobicContact CD2-CE 4.33Å; F352-M357 HydrophobicContact CE1-CB 3.62Å; F352-M357 HydrophobicContact CE1-CE 3.86Å; F352-M357 HydrophobicContact CE2-CE 4.12Å; F352-M357 HydrophobicContact CG-CE 4.3Å; F352-M357 HydrophobicContact CZ-CE 3.89Å | ||
| 353 | A | 92.9 | Very high | 94.5 | Very high | 32 Ų | 32 | 12.6 Ų | 12.6 | 26% | 0.264 | 7% | 0.072 | S | C | . | . | S | Bend | trans | -95.1 | -23.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K297 I298 K300 L324 | K297-A353 HydrophobicContact CB-CB 4.04Å; K297-A353 HydrophobicContact CD-CB 4.4Å; I298-A353 WeakPolarHBondContact O-CB 3.44Å; K300-A353 HydrophobicContact CB-CB 4.04Å; L324-A353 HydrophobicContact CD1-CB 3.89Å; L324-A353 HydrophobicContact CD2-CB 3.67Å; L324-A353 HydrophobicContact CG-CB 4.46Å |
| 354 | D | 92.1 | Very high | 94.5 | Very high | 43 Ų | 43 | 12.6 Ų | 12.6 | 23% | 0.23 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -144.6 | -157.2 | -175.3 | -150.3 | -57.7 | 0 | 0 | 0 | 110.1 | N261 K297 | N261-D354 WeakPolarHBondContact CB-O 3.25Å; N261-D354 PolarHBondContact ND2-O 3.41Å; K297-D354 HydrophobicContact CB-CB 3.94Å; K297-D354 HydrophobicContact CD-CB 4Å; K297-D354 WeakPolarHBondContact CE-OD2 3.41Å; K297-D354 HydrophobicContact CG-CB 3.82Å; K297-D354 IonicContact NZ-OD2 2.7Å |
| 355 | T | 92.5 | Very high | 94.3 | Very high | 54 Ų | 54 | 13.7 Ų | 13.7 | 33% | 0.331 | 7% | 0.074 | S | C | . | . | S | Bend | trans | -71.1 | -38.8 | -178.2 | -47.4 | 0 | 0 | 0 | 0 | 111.8 | R260 N261 G295 | R260-T355 WeakPolarHBondContact CA-O 3.49Å; R260-T355 HydrophobicContact CG-CG2 4.48Å; N261-T355 WeakPolarHBondContact CB-O 3.47Å; N261-T355 PolarHBondContact N-O 2.84Å; G295-T355 PolarHBondContact O-N 3.21Å |
| 356 | W | 94.4 | Very high | 93.9 | Very high | 15 Ų | 15 | 14.6 Ų | 14.6 | 6% | 0.057 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 150.4 | -177.5 | -75.3 | 91 | 0 | 0 | 0 | 112.3 | Q200 Q201 F202 L212 W259 R260 G295 V296 K297 | Q200-W356 HydrophobicContact CB-CH2 4.07Å; Q200-W356 HydrophobicContact CB-CZ3 4.03Å; Q201-W356 WeakPolarHBondContact O-CH2 3.33Å; F202-W356 HydrophobicContact CB-CH2 4.03Å; F202-W356 HydrophobicContact CB-CZ2 4.06Å; F202-W356 HydrophobicContact CB-CZ3 4.43Å; F202-W356 AromaticContact CD2-CD1 3.87Å; F202-W356 AromaticContact CD2-CD2 3.54Å; F202-W356 HydrophobicContact CD2-CD2 3.54Å; F202-W356 AromaticContact CD2-CE2 3.41Å; F202-W356 VanDerWaalsContact CD2-CE2 3.41Å; F202-W356 HydrophobicContact CD2-CE3 4.03Å; F202-W356 AromaticContact CD2-CG 3.86Å; F202-W356 HydrophobicContact CD2-CG 3.86Å; F202-W356 HydrophobicContact CD2-CH2 4.31Å; F202-W356 AromaticContact CD2-CZ2 3.83Å; F202-W356 HydrophobicContact CD2-CZ2 3.83Å; F202-W356 HydrophobicContact CD2-CZ3 4.39Å; F202-W356 AromaticContact CD2-NE1 3.62Å; F202-W356 HydrophobicContact CE2-CB 4.46Å; F202-W356 AromaticContact CE2-CD1 3.48Å; F202-W356 VanDerWaalsContact CE2-CD1 3.48Å; F202-W356 AromaticContact CE2-CD2 3.96Å; F202-W356 HydrophobicContact CE2-CD2 3.96Å; F202-W356 AromaticContact CE2-CE2 3.86Å; F202-W356 AromaticContact CE2-CG 3.75Å; F202-W356 HydrophobicContact CE2-CG 3.75Å; F202-W356 AromaticContact CE2-NE1 3.55Å; F202-W356 HydrophobicContact CG-CZ2 4.18Å; L212-W356 HydrophobicContact CD1-CE3 4.19Å; L212-W356 HydrophobicContact CD1-CZ3 4.02Å; W259-W356 VanDerWaalsContact O-CE3 3.23Å; R260-W356 HydrophobicContact CB-CD2 4.03Å; R260-W356 HydrophobicContact CB-CE3 4.13Å; R260-W356 HydrophobicContact CB-CH2 3.96Å; R260-W356 HydrophobicContact CB-CZ2 3.85Å; R260-W356 HydrophobicContact CB-CZ3 4.1Å; R260-W356 HydrophobicContact CG-CD2 4.35Å; R260-W356 HydrophobicContact CG-CZ2 4.14Å; G295-W356 PolarHBondContact O-N 2.95Å; V296-W356 HydrophobicContact CG2-CB 3.95Å; K297-W356 PolarHBondContact N-O 2.91Å; K297-W356 VanDerWaalsContact N-O 3.16Å |
| 357 | M | 95.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 137.5 | 172.4 | 177.8 | 172.1 | 57.2 | 0 | 0 | 107.9 | G258 W259 I269 F299 F352 F359 | G258-M357 WeakPolarHBondContact CA-O 3.36Å; W259-M357 PolarHBondContact N-O 3.32Å; W259-M357 PolarHBondContact O-N 2.94Å; W259-M357 VanDerWaalsContact O-N 3.09Å; I269-M357 HydrophobicContact CD1-CE 3.76Å; I269-M357 HydrophobicContact CG1-CE 3.71Å; I269-M357 HydrophobicContact CG2-CE 4.24Å; F299-M357 HydrophobicContact CB-SD 3.69Å; F352-M357 HydrophobicContact CD1-CB 3.7Å; F352-M357 HydrophobicContact CD1-CE 4.07Å; F352-M357 HydrophobicContact CD2-CE 4.33Å; F352-M357 HydrophobicContact CE1-CB 3.62Å; F352-M357 HydrophobicContact CE1-CE 3.86Å; F352-M357 HydrophobicContact CE2-CE 4.12Å; F352-M357 HydrophobicContact CG-CE 4.3Å; F352-M357 HydrophobicContact CZ-CE 3.89Å; M357-F359 HydrophobicContact CE-CZ 4.41Å; M357-F359 HydrophobicContact CG-CE1 3.69Å; M357-F359 HydrophobicContact CG-CZ 3.92Å; M357-F359 HydrophobicContact SD-CE1 3.99Å; M357-F359 HydrophobicContact SD-CZ 3.7Å |
| 358 | M | 95.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 143.1 | -179.8 | 64 | -177.3 | 66.9 | 0 | 0 | 111.6 | L212 F242 Y256 V257 N289 V296 | L212-M358 HydrophobicContact CD1-CE 3.67Å; L212-M358 HydrophobicContact CD2-CE 4.49Å; F242-M358 HydrophobicContact CB-SD 3.66Å; F242-M358 HydrophobicContact CD1-CE 4.12Å; F242-M358 HydrophobicContact CD1-SD 4Å; F242-M358 HydrophobicContact CD2-CE 3.96Å; F242-M358 HydrophobicContact CD2-SD 4.12Å; F242-M358 HydrophobicContact CE1-CE 4.25Å; F242-M358 HydrophobicContact CE2-CE 4.11Å; F242-M358 HydrophobicContact CG-CE 3.97Å; F242-M358 HydrophobicContact CG-SD 3.67Å; F242-M358 HydrophobicContact CZ-CE 4.24Å; Y256-M358 HydrophobicContact CD1-CB 4.17Å; Y256-M358 HydrophobicContact CD1-CG 3.76Å; Y256-M358 HydrophobicContact CD1-SD 4.01Å; Y256-M358 HydrophobicContact CD2-SD 4.32Å; Y256-M358 HydrophobicContact CE1-CG 4.28Å; Y256-M358 HydrophobicContact CG-CG 4.2Å; Y256-M358 HydrophobicContact CG-SD 3.88Å; V257-M358 CarbonylContact O-C 3.57Å; V257-M358 VanDerWaalsContact O-CA 3.22Å; V257-M358 WeakPolarHBondContact O-CA 3.41Å; V257-M358 WeakPolarHBondContact O-CB 3.47Å; N289-M358 HydrophobicContact CB-CG 3.54Å; N289-M358 HydrophobicContact CB-SD 3.77Å; N289-M358 PolarHBondContact N-O 3.07Å; V296-M358 HydrophobicContact CB-CE 4.35Å; V296-M358 HydrophobicContact CG1-CE 3.72Å; V296-M358 HydrophobicContact CG1-CG 3.88Å; V296-M358 HydrophobicContact CG1-SD 4.04Å; V296-M358 HydrophobicContact CG2-CE 3.62Å |
| 359 | F | 97 | Very high | 89.5 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 147.3 | -179.7 | -52.5 | -32.7 | 0 | 0 | 0 | 110 | L232 V257 W259 I269 I271 V286 H287 C288 F299 Y350 M357 I362 | L232-F359 HydrophobicContact CD2-CB 3.74Å; L232-F359 WeakPolarHBondContact CD2-O 3.43Å; V257-F359 PolarHBondContact N-O 3.13Å; V257-F359 PolarHBondContact O-N 2.87Å; W259-F359 AromaticContact CH2-CD2 3.94Å; W259-F359 HydrophobicContact CH2-CD2 3.94Å; W259-F359 HydrophobicContact CH2-CE2 4.49Å; W259-F359 AromaticContact CZ3-CD2 3.68Å; W259-F359 HydrophobicContact CZ3-CD2 3.68Å; W259-F359 HydrophobicContact CZ3-CE2 4.05Å; W259-F359 HydrophobicContact CZ3-CG 4.14Å; I269-F359 HydrophobicContact CD1-CE2 4.05Å; I271-F359 HydrophobicContact CD1-CD2 4.2Å; I271-F359 HydrophobicContact CD1-CE2 4.11Å; V286-F359 HydrophobicContact CG1-CB 4.18Å; V286-F359 HydrophobicContact CG1-CD1 3.47Å; V286-F359 VanDerWaalsContact CG1-CD1 3.47Å; V286-F359 HydrophobicContact CG1-CD2 3.89Å; V286-F359 HydrophobicContact CG1-CE1 3.76Å; V286-F359 HydrophobicContact CG1-CE2 4.11Å; V286-F359 HydrophobicContact CG1-CG 3.57Å; V286-F359 HydrophobicContact CG1-CZ 4.06Å; H287-F359 VanDerWaalsContact O-CA 3.24Å; H287-F359 WeakPolarHBondContact O-CA 3.46Å; C288-F359 HydrophobicContact CB-CD1 4.34Å; C288-F359 VanDerWaalsContact SG-CE1 3.57Å; F299-F359 AromaticContact CD1-CE1 3.8Å; F299-F359 HydrophobicContact CD1-CE1 3.8Å; F299-F359 AromaticContact CD1-CZ 3.87Å; F299-F359 HydrophobicContact CD1-CZ 3.87Å; F299-F359 HydrophobicContact CE1-CE1 4.19Å; F299-F359 HydrophobicContact CE1-CZ 4.27Å; Y350-F359 HydrophobicContact CD1-CE2 4.16Å; Y350-F359 AromaticContact CD1-CZ 3.88Å; Y350-F359 HydrophobicContact CD1-CZ 3.88Å; Y350-F359 HydrophobicContact CD2-CE2 4.22Å; Y350-F359 HydrophobicContact CE1-CE2 4.37Å; Y350-F359 HydrophobicContact CE1-CZ 4.39Å; Y350-F359 HydrophobicContact CE2-CE2 4.43Å; Y350-F359 HydrophobicContact CG-CE2 4.08Å; Y350-F359 AromaticContact CG-CZ 3.97Å; Y350-F359 HydrophobicContact CG-CZ 3.97Å; M357-F359 HydrophobicContact CE-CZ 4.41Å; M357-F359 HydrophobicContact CG-CE1 3.69Å; M357-F359 HydrophobicContact CG-CZ 3.92Å; M357-F359 HydrophobicContact SD-CE1 3.99Å; M357-F359 HydrophobicContact SD-CZ 3.7Å; F359-I362 HydrophobicContact CD2-CD1 4.03Å |
| 360 | S | 94 | Very high | 86.6 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | -30.1 | 170.6 | 72.6 | 0 | 0 | 0 | 0 | 113.3 | Q231 L232 G238 D255 H287 | Q231-S360 CarbonylContact C-O 3.53Å; L232-S360 WeakPolarHBondContact CA-O 3.2Å; G238-S360 PolarHBondContact N-OG 2.61Å; D255-S360 WeakPolarHBondContact O-CB 3.27Å; H287-S360 PolarHBondContact ND1-OG 2.83Å; H287-S360 PolarHBondContact O-N 3.04Å; H287-S360 VanDerWaalsContact O-N 3.11Å |
| 361 | E | 94.4 | Very high | 83.6 | Confident | 6 Ų | 6 | 38.4 Ų | 38.4 | 3% | 0.028 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 138.8 | -169.8 | 178 | 60.5 | -117.3 | 0 | 0 | 110.3 | L232 G235 V236 H287 F333 T363 | L232-E361 CarbonylContact O-C 3.46Å; G235-E361 WeakPolarHBondContact CA-OE2 3.36Å; G235-E361 PolarHBondContact N-OE2 2.87Å; V236-E361 PolarHBondContact N-OE2 3.1Å; H287-E361 HydrophobicContact CB-CB 3.9Å; H287-E361 PolarHBondContact N-O 2.76Å; F333-E361 HydrophobicContact CE1-CB 4.22Å; F333-E361 HydrophobicContact CE1-CG 3.91Å; F333-E361 HydrophobicContact CZ-CB 4.33Å; F333-E361 HydrophobicContact CZ-CG 4Å; E361-T363 HydrophobicContact CG-CG2 4.4Å; E361-T363 WeakPolarHBondContact OE1-CG2 3.24Å |
| 362 | I | 95.2 | Very high | 80.3 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 114.2 | -179.7 | -54.9 | -175.3 | 0 | 0 | 0 | 109.3 | L232 I271 F273 M284 K285 V286 F359 F364 | L232-I362 HydrophobicContact CB-CD1 4.42Å; L232-I362 HydrophobicContact CB-CG1 4.33Å; L232-I362 HydrophobicContact CD1-CD1 4.11Å; L232-I362 PolarHBondContact O-N 2.87Å; I271-I362 HydrophobicContact CD1-CD1 4.26Å; F273-I362 HydrophobicContact CE1-CB 4.5Å; F273-I362 HydrophobicContact CE1-CD1 4.21Å; F273-I362 HydrophobicContact CE1-CG2 3.9Å; F273-I362 HydrophobicContact CZ-CD1 3.91Å; F273-I362 HydrophobicContact CZ-CG2 3.93Å; M284-I362 HydrophobicContact CG-CG2 4.27Å; M284-I362 HydrophobicContact SD-CG2 4.35Å; K285-I362 WeakPolarHBondContact O-CA 3.47Å; V286-I362 HydrophobicContact CG1-CD1 4.44Å; V286-I362 HydrophobicContact CG1-CG1 4.16Å; V286-I362 HydrophobicContact CG2-CG1 4.43Å; V286-I362 HydrophobicContact CG2-CG2 4.28Å; F359-I362 HydrophobicContact CD2-CD1 4.03Å; I362-F364 HydrophobicContact CG2-CE2 3.8Å; I362-F364 HydrophobicContact CG2-CZ 3.98Å |
| 363 | T | 92.2 | Very high | 77.2 | Confident | 7 Ų | 7 | 51.8 Ų | 51.8 | 4% | 0.043 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 145.3 | -179.4 | 48.8 | 0 | 0 | 0 | 0 | 112.5 | D189 M284 K285 E361 | D189-T363 WeakPolarHBondContact OD2-CA 3.18Å; M284-T363 CarbonylContact C-O 3.56Å; M284-T363 WeakPolarHBondContact CA-O 3.47Å; K285-T363 PolarHBondContact N-O 2.99Å; K285-T363 PolarHBondContact O-N 3.13Å; E361-T363 HydrophobicContact CG-CG2 4.4Å; E361-T363 WeakPolarHBondContact OE1-CG2 3.24Å |
| 364 | F | 92.1 | Very high | 74.3 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 126 | 179.1 | -61.2 | -92 | 0 | 0 | 0 | 110.8 | A23 D189 L191 F273 F275 F281 M284 L338 I346 I362 | A23-F364 WeakPolarHBondContact CB-O 3.46Å; D189-F364 PolarHBondContact OD2-N 2.82Å; L191-F364 HydrophobicContact CD1-CE2 4.46Å; F273-F364 HydrophobicContact CB-CE2 4.43Å; F273-F364 HydrophobicContact CB-CZ 4.15Å; F273-F364 AromaticContact CD1-CE2 3.56Å; F273-F364 HydrophobicContact CD1-CE2 3.56Å; F273-F364 AromaticContact CD1-CZ 3.59Å; F273-F364 HydrophobicContact CD1-CZ 3.59Å; F273-F364 AromaticContact CD2-CZ 3.71Å; F273-F364 HydrophobicContact CD2-CZ 3.71Å; F273-F364 AromaticContact CE1-CE2 3.83Å; F273-F364 HydrophobicContact CE1-CE2 3.83Å; F273-F364 AromaticContact CE1-CZ 3.79Å; F273-F364 HydrophobicContact CE1-CZ 3.79Å; F273-F364 AromaticContact CE2-CZ 3.9Å; F273-F364 HydrophobicContact CE2-CZ 3.9Å; F273-F364 AromaticContact CG-CE2 3.94Å; F273-F364 HydrophobicContact CG-CE2 3.94Å; F273-F364 AromaticContact CG-CZ 3.54Å; F273-F364 HydrophobicContact CG-CZ 3.54Å; F273-F364 HydrophobicContact CZ-CE2 4.41Å; F273-F364 AromaticContact CZ-CZ 3.93Å; F273-F364 HydrophobicContact CZ-CZ 3.93Å; F275-F364 HydrophobicContact CE1-CB 4.12Å; F275-F364 HydrophobicContact CE1-CD1 4.48Å; F275-F364 AromaticContact CE1-CD2 3.8Å; F275-F364 HydrophobicContact CE1-CD2 3.8Å; F275-F364 HydrophobicContact CE1-CE2 4.37Å; F275-F364 AromaticContact CE1-CG 3.87Å; F275-F364 HydrophobicContact CE1-CG 3.87Å; F275-F364 HydrophobicContact CZ-CB 4.39Å; F275-F364 AromaticContact CZ-CD1 3.92Å; F275-F364 HydrophobicContact CZ-CD1 3.92Å; F275-F364 AromaticContact CZ-CD2 3.71Å; F275-F364 HydrophobicContact CZ-CD2 3.71Å; F275-F364 HydrophobicContact CZ-CE1 4.1Å; F275-F364 AromaticContact CZ-CE2 3.91Å; F275-F364 HydrophobicContact CZ-CE2 3.91Å; F275-F364 AromaticContact CZ-CG 3.73Å; F275-F364 HydrophobicContact CZ-CG 3.73Å; F275-F364 HydrophobicContact CZ-CZ 4.11Å; F281-F364 HydrophobicContact CD1-CB 4.12Å; F281-F364 HydrophobicContact CD1-CD1 4.18Å; F281-F364 HydrophobicContact CE1-CB 3.96Å; F281-F364 HydrophobicContact CE1-CD1 4.23Å; F281-F364 HydrophobicContact CE1-CG 4.29Å; M284-F364 HydrophobicContact CB-CD1 3.91Å; M284-F364 HydrophobicContact CB-CE1 3.89Å; M284-F364 HydrophobicContact CG-CD1 4.09Å; M284-F364 HydrophobicContact CG-CE1 3.69Å; M284-F364 HydrophobicContact CG-CZ 4.1Å; M284-F364 HydrophobicContact SD-CE1 3.6Å; M284-F364 VanDerWaalsContact SD-CE1 3.6Å; M284-F364 HydrophobicContact SD-CZ 3.82Å; L338-F364 HydrophobicContact CD1-CD1 4.08Å; L338-F364 HydrophobicContact CD1-CE1 4.44Å; I346-F364 HydrophobicContact CD1-CD1 4.1Å; I346-F364 HydrophobicContact CD1-CE1 4.04Å; I362-F364 HydrophobicContact CG2-CE2 3.8Å; I362-F364 HydrophobicContact CG2-CZ 3.98Å |
| 365 | Q | 87.8 | Confident | 71.2 | Confident | 50 Ų | 50 | 56.9 Ų | 56.9 | 23% | 0.234 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 116.6 | 169 | -173.9 | 178.4 | -28.2 | 0 | 0 | 108.7 | A23 T282 T283 | A23-Q365 HydrophobicContact CB-CB 4.06Å; A23-Q365 HydrophobicContact CB-CG 4.41Å; T282-Q365 PolarHBondContact N-O 3.49Å; T282-Q365 WeakPolarHBondContact OG1-CB 3.41Å; T282-Q365 VanDerWaalsContact OG1-CG 3.26Å; T282-Q365 WeakPolarHBondContact OG1-CG 3.38Å; T282-Q365 PolarHBondContact OG1-O 3.12Å; T283-Q365 PolarHBondContact O-N 2.8Å; T283-Q365 WeakPolarHBondContact OG1-CB 3.42Å; T283-Q365 PolarHBondContact OG1-OE1 2.52Å |
| 366 | S | 85.3 | Confident | 68.1 | Low | 19 Ų | 19 | 59 Ų | 59 | 13% | 0.133 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 154.2 | -179.2 | 68.6 | 0 | 0 | 0 | 0 | 113.7 | R279 N280 | R279-S366 PolarHBondContact NH1-OG 2.91Å; R279-S366 VanDerWaalsContact NH1-OG 3.1Å; N280-S366 CarbonylContact O-C 3.59Å; N280-S366 WeakPolarHBondContact O-CA 3.26Å; N280-S366 WeakPolarHBondContact O-CB 3.5Å |
| 367 | D | 78.2 | Confident | 64.9 | Low | 100 Ų | 100 | 66.5 Ų | 66.5 | 54% | 0.535 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 145.5 | 168.6 | -68.5 | -59.4 | 0 | 0 | 0 | 110.2 | R279 N280 | R279-D367 WeakPolarHBondContact CA-O 3.48Å; N280-D367 HydrophobicContact CB-CB 4.38Å; N280-D367 WeakPolarHBondContact CB-O 3.47Å; N280-D367 PolarHBondContact N-O 2.7Å; N280-D367 PolarHBondContact O-N 2.61Å |
| 368 | A | 61.7 | Low | 62.1 | Low | 58 Ų | 58 | 71.4 Ų | 71.4 | 48% | 0.479 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 139.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | M370 | A368-M370 PolarHBondContact O-N 2.63Å |
| 369 | A | 54.3 | Low | 58.7 | Low | 30 Ų | 30 | 77.2 Ų | 77.2 | 25% | 0.248 | 46% | 0.461 | C | S | . | . | trans | -74.4 | 113.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I278 M342 Y371 | I278-A369 HydrophobicContact CG2-CB 4.28Å; I278-A369 WeakPolarHBondContact O-CB 3.49Å; I278-A369 PolarHBondContact O-N 3.5Å; M342-A369 HydrophobicContact CE-CB 3.59Å; A369-Y371 HydrophobicContact CB-CD2 4.14Å; A369-Y371 HydrophobicContact CB-CE2 4.09Å; A369-Y371 PolarHBondContact O-N 3.19Å; A369-Y371 VanDerWaalsContact O-N 3.15Å | ||
| 370 | M | 36 | Very low | 55.3 | Low | 186 Ų | 186 | 82.6 Ų | 82.6 | 92% | 0.916 | 50% | 0.498 | S | S | * | . | trans | -78.6 | 92 | 166.3 | -72.6 | -167 | -178.9 | 0 | 0 | 110.6 | A368 N372 | A368-M370 PolarHBondContact O-N 2.63Å; M370-N372 PolarHBondContact O-N 3.44Å | ||
| 371 | Y | 33.3 | Very low | 52.7 | Low | 171 Ų | 171 | 88 Ų | 88 | 67% | 0.671 | 53% | 0.533 | S | S | * | . | trans | -73.1 | 105.6 | 163.7 | -83.4 | -85.3 | 0 | 0 | 0 | 109.8 | I278 A369 N373 | I278-Y371 HydrophobicContact CD1-CE2 4.2Å; A369-Y371 HydrophobicContact CB-CD2 4.14Å; A369-Y371 HydrophobicContact CB-CE2 4.09Å; A369-Y371 PolarHBondContact O-N 3.19Å; A369-Y371 VanDerWaalsContact O-N 3.15Å; Y371-N373 PolarHBondContact O-N 2.92Å | ||
| 372 | N | 27.6 | Very low | 49.4 | Very low | 145 Ų | 145 | 96.3 Ų | 96.3 | 78% | 0.775 | 57% | 0.574 | S | S | * | * | trans | -66.9 | 97.5 | 170.1 | -96.9 | -10.1 | 0 | 0 | 0 | 109.9 | M370 S374 | M370-N372 PolarHBondContact O-N 3.44Å; N372-S374 PolarHBondContact O-N 2.98Å | ||
| 373 | N | 30.1 | Very low | 46 | Very low | 167 Ų | 167 | 102.4 Ų | 102.4 | 89% | 0.893 | 61% | 0.611 | S | S | * | * | trans | -74.3 | 70.3 | 170.7 | -92.8 | -13.9 | 0 | 0 | 0 | 111.4 | Y371 | Y371-N373 PolarHBondContact O-N 2.92Š| ||
| 374 | S | 31 | Very low | 43.5 | Very low | 99 Ų | 99 | 107.6 Ų | 107.6 | 69% | 0.692 | 65% | 0.645 | S | S | * | * | trans | -115.9 | 93.9 | 162.5 | 42.5 | 0 | 0 | 0 | 0 | 108.9 | N372 | N372-S374 PolarHBondContact O-N 2.98Š| ||
| 375 | G | 28.6 | Very low | 40.2 | Very low | 83 Ų | 83 | 113.8 Ų | 113.8 | 86% | 0.856 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 133.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 376 | A | 25.7 | Very low | 37.3 | Very low | 100 Ų | 100 | 117.7 Ų | 117.7 | 83% | 0.826 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 137.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 377 | L | 27.3 | Very low | 34.5 | Very low | 171 Ų | 171 | 127.3 Ų | 127.3 | 90% | 0.895 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -98 | 151.6 | 160.4 | -93 | 96.7 | 0 | 0 | 0 | 110.8 | ||
| 378 | P | 37 | Very low | 32.1 | Very low | 105 Ų | 105 | 130 Ų | 130 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 155.1 | -168.5 | 36.3 | -34.7 | 0 | 0 | 0 | 114.1 | ||
| 379 | T | 24.5 | Very low | 31.1 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | 166.9 | 109.9 | 111.9 | 36.6 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 380 | S | 24.7 | Very low | 29.8 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | 69.9 | 177.1 | 134 | 83.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 381 | P | 39.8 | Very low | 30 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | -139.4 | 154.9 | -101.9 | 38.1 | -18 | 0 | 0 | 0 | 117.6 | |||||
| 382 | M | 24.1 | Very low | 30 | Very low | 181 Ų | 181 | 139.3 Ų | 139.3 | 89% | 0.892 | 81% | 0.806 | S | S | * | * | trans | -173.3 | 135.6 | 140 | -111.9 | 179.1 | 173 | 0 | 0 | 115.8 | ||||
| 383 | T | 24 | Very low | 30.7 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | trans | 21.3 | 156.6 | 146.3 | 42.5 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 384 | P | 40.1 | Very low | 31.4 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -114.2 | 159 | -153.9 | 41.3 | -32.4 | 0 | 0 | 0 | 117.1 | ||||
| 385 | T | 23.7 | Very low | 32.4 | Very low | 131 Ų | 131 | 136.7 Ų | 136.7 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -160.9 | 129.2 | 149.7 | 27 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 386 | T | 25.8 | Very low | 33.8 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | 66.3 | 139.9 | 137.8 | -41.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 387 | Y | 27.5 | Very low | 35.2 | Very low | 220 Ų | 220 | 136.6 Ų | 136.6 | 86% | 0.863 | 75% | 0.754 | S | S | * | * | trans | -72.8 | 148.1 | 176.8 | -63.7 | -106.6 | 0 | 0 | 0 | 114.1 | ||||
| 388 | D | 27.4 | Very low | 36.9 | Very low | 156 Ų | 156 | 131.3 Ų | 131.3 | 83% | 0.834 | 73% | 0.729 | S | S | * | * | -164.7 | 151 | 113.9 | -148.5 | 35.6 | 0 | 0 | 0 | 110.8 | |||||
| 389 | P | 39.5 | Very low | 38.1 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 71% | 0.714 | 73% | 0.726 | S | S | * | * | trans | -103 | 113.4 | -171.3 | 35.7 | -28.4 | 0 | 0 | 0 | 114.4 | ||||
| 390 | M | 28.2 | Very low | 40.3 | Very low | 177 Ų | 177 | 133.2 Ų | 133.2 | 87% | 0.872 | 72% | 0.715 | S | S | * | * | trans | -136.1 | 122.3 | 156.7 | -81.2 | -157.9 | 75.2 | 0 | 0 | 112 | K392 | M390-K392 PolarHBondContact O-N 2.84Š| ||
| 391 | L | 40.3 | Very low | 42.4 | Very low | 160 Ų | 160 | 133.2 Ų | 133.2 | 84% | 0.838 | 71% | 0.706 | S | S | * | * | trans | -69.4 | 96.8 | 177.1 | -173.3 | 79.6 | 0 | 0 | 0 | 110.7 | I393 | L391-I393 HydrophobicContact CD2-CG1 4.39Å; L391-I393 HydrophobicContact CG-CG1 4.41Å | ||
| 392 | K | 32.7 | Very low | 44.1 | Very low | 195 Ų | 195 | 132.7 Ų | 132.7 | 85% | 0.848 | 70% | 0.696 | S | S | * | * | trans | -89.1 | 119.1 | 161.9 | -77.1 | -173.5 | 176.2 | 179.6 | 0 | 109.2 | M390 | M390-K392 PolarHBondContact O-N 2.84Š| ||
| 393 | I | 43.1 | Very low | 46.8 | Very low | 136 Ų | 136 | 126.1 Ų | 126.1 | 70% | 0.697 | 67% | 0.674 | S | S | * | * | trans | -81.2 | 132.4 | 172 | -65 | 172.6 | 0 | 0 | 0 | 108 | L391 D395 | L391-I393 HydrophobicContact CD2-CG1 4.39Å; L391-I393 HydrophobicContact CG-CG1 4.41Å; I393-D395 PolarHBondContact O-N 2.91Å; I393-D395 VanDerWaalsContact O-N 3.12Å | ||
| 394 | D | 43.4 | Very low | 49.5 | Very low | 121 Ų | 121 | 123.4 Ų | 123.4 | 65% | 0.647 | 66% | 0.659 | S | S | * | * | trans | -72.8 | 104.9 | -176.8 | -101.8 | -42.8 | 0 | 0 | 0 | 112.4 | S396 N397 | D394-S396 PolarHBondContact O-N 2.99Å; D394-N397 PolarHBondContact O-N 3.44Å | ||
| 395 | D | 53 | Low | 51.3 | Low | 98 Ų | 98 | 122.3 Ų | 122.3 | 52% | 0.524 | 65% | 0.647 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.5 | 5.2 | -175.9 | -155.3 | 44 | 0 | 0 | 0 | 114.3 | I393 R399 | I393-D395 PolarHBondContact O-N 2.91Å; I393-D395 VanDerWaalsContact O-N 3.12Å; D395-R399 VanDerWaalsContact O-CD 3.29Å; D395-R399 WeakPolarHBondContact O-CD 3.32Å; D395-R399 WeakPolarHBondContact O-CG 3.31Å; D395-R399 PolarHBondContact O-NE 3.02Å; D395-R399 IonicContact OD2-CZ 2.75Å; D395-R399 IonicContact OD2-NE 2.73Å; D395-R399 IonicContact OD2-NH2 3.79Å; D395-R399 PolarHBondContact OD2-NH2 3.47Å |
| 396 | S | 57.7 | Low | 54.3 | Low | 71 Ų | 71 | 119.5 Ų | 119.5 | 50% | 0.497 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.5 | -43.9 | 177.1 | -162 | 0 | 0 | 0 | 0 | 112.1 | D394 T398 R399 I400 | D394-S396 PolarHBondContact O-N 2.99Å; S396-T398 PolarHBondContact O-N 3.21Å; S396-R399 PolarHBondContact O-N 2.89Å; S396-I400 PolarHBondContact O-N 3.39Å |
| 397 | N | 55.7 | Low | 57.1 | Low | 110 Ų | 110 | 115.6 Ų | 115.6 | 59% | 0.588 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.8 | -37.7 | -176.1 | -71.6 | -31.3 | 0 | 0 | 0 | 112 | D394 R399 I400 L401 | D394-N397 PolarHBondContact O-N 3.44Å; N397-R399 VanDerWaalsContact C-N 3.34Å; N397-R399 PolarHBondContact O-N 3.07Å; N397-I400 PolarHBondContact O-N 2.86Å; N397-L401 WeakPolarHBondContact O-CB 3.35Å; N397-L401 PolarHBondContact O-N 3.45Å |
| 398 | T | 62.9 | Low | 60 | Low | 61 Ų | 61 | 109.5 Ų | 109.5 | 37% | 0.374 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -59.3 | -41.4 | 173.8 | 36.9 | 0 | 0 | 0 | 0 | 112.4 | S396 L401 I402 | S396-T398 PolarHBondContact O-N 3.21Å; T398-L401 PolarHBondContact O-N 2.89Å; T398-I402 WeakPolarHBondContact O-CB 3.22Å; T398-I402 WeakPolarHBondContact O-CD1 3.38Å; T398-I402 WeakPolarHBondContact O-CG1 3.18Å; T398-I402 PolarHBondContact O-N 2.9Å |
| 399 | R | 62.9 | Low | 63 | Low | 165 Ų | 165 | 106.4 Ų | 106.4 | 62% | 0.623 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.6 | -40.1 | 179.9 | -61.3 | 176 | -164.1 | -158.1 | 3.1 | 111.9 | D395 S396 N397 G403 | D395-R399 VanDerWaalsContact O-CD 3.29Å; D395-R399 WeakPolarHBondContact O-CD 3.32Å; D395-R399 WeakPolarHBondContact O-CG 3.31Å; D395-R399 PolarHBondContact O-NE 3.02Å; D395-R399 IonicContact OD2-CZ 2.75Å; D395-R399 IonicContact OD2-NE 2.73Å; D395-R399 IonicContact OD2-NH2 3.79Å; D395-R399 PolarHBondContact OD2-NH2 3.47Å; S396-R399 PolarHBondContact O-N 2.89Å; N397-R399 VanDerWaalsContact C-N 3.34Å; N397-R399 PolarHBondContact O-N 3.07Å; R399-G403 PolarHBondContact O-N 3.25Å |
| 400 | I | 70.8 | Confident | 65.4 | Low | 104 Ų | 104 | 108 Ų | 108 | 53% | 0.533 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.7 | -45.5 | 175 | -62.8 | 169.5 | 0 | 0 | 0 | 110.2 | S396 N397 I402 G403 C404 | S396-I400 PolarHBondContact O-N 3.39Å; N397-I400 PolarHBondContact O-N 2.86Å; I400-I402 PolarHBondContact O-N 3.28Å; I400-G403 PolarHBondContact O-N 3.39Å; I400-G403 VanDerWaalsContact O-N 3.13Å; I400-C404 PolarHBondContact O-N 3.41Å; I400-C404 PolarHBondContact O-SG 2.89Å |
| 401 | L | 66.8 | Low | 68.4 | Low | 112 Ų | 112 | 104.4 Ų | 104.4 | 59% | 0.586 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.7 | -42.5 | 178.7 | -159.6 | 80.6 | 0 | 0 | 0 | 112.3 | N397 T398 C404 L405 | N397-L401 WeakPolarHBondContact O-CB 3.35Å; N397-L401 PolarHBondContact O-N 3.45Å; T398-L401 PolarHBondContact O-N 2.89Å; L401-C404 PolarHBondContact O-N 2.76Å; L401-L405 HydrophobicContact CG-CD1 4.46Å; L401-L405 WeakPolarHBondContact O-CB 3.47Å; L401-L405 PolarHBondContact O-N 2.87Å |
| 402 | I | 77.5 | Confident | 70.7 | Confident | 104 Ų | 104 | 101.2 Ų | 101.2 | 53% | 0.533 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 174.4 | -70 | 163.2 | 0 | 0 | 0 | 110.8 | T398 I400 C404 L405 V406 | T398-I402 WeakPolarHBondContact O-CB 3.22Å; T398-I402 WeakPolarHBondContact O-CD1 3.38Å; T398-I402 WeakPolarHBondContact O-CG1 3.18Å; T398-I402 PolarHBondContact O-N 2.9Å; I400-I402 PolarHBondContact O-N 3.28Å; I402-C404 PolarHBondContact O-N 3.19Å; I402-L405 PolarHBondContact O-N 3.47Å; I402-V406 HydrophobicContact CG2-CG2 4.43Å; I402-V406 WeakPolarHBondContact O-CG2 3.2Å; I402-V406 PolarHBondContact O-N 3.39Å |
| 403 | G | 79.8 | Confident | 73.4 | Confident | 42 Ų | 42 | 96.3 Ų | 96.3 | 43% | 0.433 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.5 | -46.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R399 I400 V406 A407 | R399-G403 PolarHBondContact O-N 3.25Å; I400-G403 PolarHBondContact O-N 3.39Å; I400-G403 VanDerWaalsContact O-N 3.13Å; G403-V406 PolarHBondContact O-N 3.41Å; G403-A407 PolarHBondContact O-N 2.91Å |
| 404 | C | 79.8 | Confident | 75.7 | Confident | 70 Ų | 70 | 92.2 Ų | 92.2 | 47% | 0.473 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 176.1 | -67 | 0 | 0 | 0 | 0 | 112.5 | I400 L401 I402 V406 A407 I408 | I400-C404 PolarHBondContact O-N 3.41Å; I400-C404 PolarHBondContact O-SG 2.89Å; L401-C404 PolarHBondContact O-N 2.76Å; I402-C404 PolarHBondContact O-N 3.19Å; C404-V406 PolarHBondContact O-N 2.93Å; C404-A407 PolarHBondContact O-N 3.01Å; C404-I408 VanDerWaalsContact O-CG1 3.29Å; C404-I408 WeakPolarHBondContact O-CG1 3.42Å; C404-I408 PolarHBondContact O-N 3.07Å |
| 405 | L | 78.3 | Confident | 78 | Confident | 94 Ų | 94 | 90.4 Ų | 90.4 | 49% | 0.492 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.2 | -45.2 | 176.3 | -86.6 | 161.7 | 0 | 0 | 0 | 112.2 | L401 I402 I408 I409 | L401-L405 HydrophobicContact CG-CD1 4.46Å; L401-L405 WeakPolarHBondContact O-CB 3.47Å; L401-L405 PolarHBondContact O-N 2.87Å; I402-L405 PolarHBondContact O-N 3.47Å; L405-I408 PolarHBondContact O-N 3.42Å; L405-I409 WeakPolarHBondContact O-CD1 3.2Å; L405-I409 VanDerWaalsContact O-CG1 3.27Å; L405-I409 WeakPolarHBondContact O-CG1 3.35Å; L405-I409 PolarHBondContact O-N 3.45Å |
| 406 | V | 87.9 | Confident | 79.8 | Confident | 71 Ų | 71 | 89.9 Ų | 89.9 | 43% | 0.43 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 176.7 | 171 | 0 | 0 | 0 | 0 | 111.1 | I402 G403 C404 I409 F410 | I402-V406 HydrophobicContact CG2-CG2 4.43Å; I402-V406 WeakPolarHBondContact O-CG2 3.2Å; I402-V406 PolarHBondContact O-N 3.39Å; G403-V406 PolarHBondContact O-N 3.41Å; C404-V406 PolarHBondContact O-N 2.93Å; V406-I409 PolarHBondContact O-N 2.99Å; V406-F410 HydrophobicContact CG1-CD2 3.82Å; V406-F410 HydrophobicContact CG1-CE2 3.77Å; V406-F410 WeakPolarHBondContact O-CD2 3.12Å; V406-F410 PolarHBondContact O-N 2.85Å |
| 407 | A | 85 | Confident | 81.5 | Confident | 50 Ų | 50 | 90.9 Ų | 90.9 | 41% | 0.413 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | G403 C404 I409 F410 I411 | G403-A407 PolarHBondContact O-N 2.91Å; C404-A407 PolarHBondContact O-N 3.01Å; A407-I409 PolarHBondContact O-N 3.47Å; A407-F410 PolarHBondContact O-N 2.94Å; A407-I411 WeakPolarHBondContact O-CG1 3.35Å; A407-I411 PolarHBondContact O-N 3.37Å |
| 408 | I | 88 | Confident | 83.2 | Confident | 93 Ų | 93 | 91.1 Ų | 91.1 | 48% | 0.477 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 176.4 | -69 | 163.6 | 0 | 0 | 0 | 111 | C404 L405 F410 I411 L412 | C404-I408 VanDerWaalsContact O-CG1 3.29Å; C404-I408 WeakPolarHBondContact O-CG1 3.42Å; C404-I408 PolarHBondContact O-N 3.07Å; L405-I408 PolarHBondContact O-N 3.42Å; I408-F410 PolarHBondContact O-N 3.19Å; I408-I411 PolarHBondContact O-N 3.44Å; I408-L412 HydrophobicContact CG2-CD1 3.9Å; I408-L412 HydrophobicContact CG2-CG 4.39Å; I408-L412 WeakPolarHBondContact O-CG 3.29Å; I408-L412 PolarHBondContact O-N 3.28Å |
| 409 | I | 89.4 | Confident | 84.5 | Confident | 90 Ų | 90 | 92.1 Ų | 92.1 | 46% | 0.462 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 176.3 | -70.2 | 162.7 | 0 | 0 | 0 | 111.2 | L405 V406 A407 L412 L413 | L405-I409 WeakPolarHBondContact O-CD1 3.2Å; L405-I409 VanDerWaalsContact O-CG1 3.27Å; L405-I409 WeakPolarHBondContact O-CG1 3.35Å; L405-I409 PolarHBondContact O-N 3.45Å; V406-I409 PolarHBondContact O-N 2.99Å; A407-I409 PolarHBondContact O-N 3.47Å; I409-L412 PolarHBondContact O-N 3.5Å; I409-L413 HydrophobicContact CG2-CD1 3.99Å; I409-L413 WeakPolarHBondContact O-CB 3.32Å; I409-L413 VanDerWaalsContact O-CG 3.32Å; I409-L413 WeakPolarHBondContact O-CG 3.4Å; I409-L413 PolarHBondContact O-N 3.05Å |
| 410 | F | 90.4 | Very high | 85.7 | Confident | 143 Ų | 143 | 89 Ų | 89 | 63% | 0.627 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65 | -38.3 | 175.5 | -86.6 | -69.7 | 0 | 0 | 0 | 113 | V406 A407 I408 L413 A414 | V406-F410 HydrophobicContact CG1-CD2 3.82Å; V406-F410 HydrophobicContact CG1-CE2 3.77Å; V406-F410 WeakPolarHBondContact O-CD2 3.12Å; V406-F410 PolarHBondContact O-N 2.85Å; A407-F410 PolarHBondContact O-N 2.94Å; I408-F410 PolarHBondContact O-N 3.19Å; F410-L413 PolarHBondContact O-N 2.84Å; F410-A414 PolarHBondContact O-N 3.15Å |
| 411 | I | 91.6 | Very high | 86.5 | Confident | 103 Ų | 103 | 92.2 Ų | 92.2 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.6 | -45.5 | 175.2 | -68.5 | 164.5 | 0 | 0 | 0 | 110.6 | A407 I408 L413 A414 I415 | A407-I411 WeakPolarHBondContact O-CG1 3.35Å; A407-I411 PolarHBondContact O-N 3.37Å; I408-I411 PolarHBondContact O-N 3.44Å; I411-L413 PolarHBondContact O-N 2.96Å; I411-A414 PolarHBondContact O-N 3.12Å; I411-I415 HydrophobicContact CG2-CD1 3.91Å; I411-I415 WeakPolarHBondContact O-CG1 3.33Å; I411-I415 PolarHBondContact O-N 2.78Å |
| 412 | L | 87.4 | Confident | 87.4 | Confident | 92 Ų | 92 | 95 Ų | 95 | 48% | 0.482 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 177 | -71.8 | 169.7 | 0 | 0 | 0 | 112 | I408 I409 A414 I415 I416 | I408-L412 HydrophobicContact CG2-CD1 3.9Å; I408-L412 HydrophobicContact CG2-CG 4.39Å; I408-L412 WeakPolarHBondContact O-CG 3.29Å; I408-L412 PolarHBondContact O-N 3.28Å; I409-L412 PolarHBondContact O-N 3.5Å; L412-A414 PolarHBondContact O-N 2.99Å; L412-I415 PolarHBondContact O-N 3.4Å; L412-I416 VanDerWaalsContact O-CG1 3.27Å; L412-I416 WeakPolarHBondContact O-CG1 3.49Å; L412-I416 PolarHBondContact O-N 3.45Å |
| 413 | L | 90.9 | Very high | 87.4 | Confident | 92 Ų | 92 | 94.7 Ų | 94.7 | 48% | 0.482 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 174.2 | -74.8 | 169.4 | 0 | 0 | 0 | 112.1 | I409 F410 I411 I416 V417 | I409-L413 HydrophobicContact CG2-CD1 3.99Å; I409-L413 WeakPolarHBondContact O-CB 3.32Å; I409-L413 VanDerWaalsContact O-CG 3.32Å; I409-L413 WeakPolarHBondContact O-CG 3.4Å; I409-L413 PolarHBondContact O-N 3.05Å; F410-L413 PolarHBondContact O-N 2.84Å; I411-L413 PolarHBondContact O-N 2.96Å; L413-I416 PolarHBondContact O-N 3.41Å; L413-V417 WeakPolarHBondContact O-CG2 3.35Å; L413-V417 PolarHBondContact O-N 3.18Å |
| 414 | A | 89.6 | Confident | 87.6 | Confident | 51 Ų | 51 | 99.2 Ų | 99.2 | 42% | 0.421 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | F410 I411 L412 V417 I418 | F410-A414 PolarHBondContact O-N 3.15Å; I411-A414 PolarHBondContact O-N 3.12Å; L412-A414 PolarHBondContact O-N 2.99Å; A414-V417 PolarHBondContact O-N 2.92Å; A414-I418 VanDerWaalsContact O-CG1 3.3Å; A414-I418 WeakPolarHBondContact O-CG1 3.24Å; A414-I418 PolarHBondContact O-N 2.88Å |
| 415 | I | 92.9 | Very high | 87.3 | Confident | 82 Ų | 82 | 102.6 Ų | 102.6 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 175.2 | -68.5 | 165.3 | 0 | 0 | 0 | 111 | I411 L412 V417 I418 I419 | I411-I415 HydrophobicContact CG2-CD1 3.91Å; I411-I415 WeakPolarHBondContact O-CG1 3.33Å; I411-I415 PolarHBondContact O-N 2.78Å; L412-I415 PolarHBondContact O-N 3.4Å; I415-V417 PolarHBondContact O-N 2.81Å; I415-I418 PolarHBondContact O-N 2.79Å; I415-I419 HydrophobicContact CG2-CD1 3.78Å; I415-I419 HydrophobicContact CG2-CG1 4.45Å; I415-I419 WeakPolarHBondContact O-CG1 3.41Å; I415-I419 PolarHBondContact O-N 2.69Å |
| 416 | I | 91.4 | Very high | 87.1 | Confident | 87 Ų | 87 | 102.7 Ų | 102.7 | 45% | 0.446 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 176.4 | -70.2 | 163.2 | 0 | 0 | 0 | 111 | L412 L413 I418 I419 L420 | L412-I416 VanDerWaalsContact O-CG1 3.27Å; L412-I416 WeakPolarHBondContact O-CG1 3.49Å; L412-I416 PolarHBondContact O-N 3.45Å; L413-I416 PolarHBondContact O-N 3.41Å; I416-I418 VanDerWaalsContact C-N 3.35Å; I416-I418 PolarHBondContact O-N 2.7Å; I416-I419 PolarHBondContact O-N 3.19Å; I416-L420 HydrophobicContact CG2-CD1 3.84Å; I416-L420 HydrophobicContact CG2-CG 4.34Å; I416-L420 WeakPolarHBondContact O-CB 3.5Å; I416-L420 VanDerWaalsContact O-CG 3.3Å; I416-L420 WeakPolarHBondContact O-CG 3.3Å; I416-L420 PolarHBondContact O-N 3.43Å |
| 417 | V | 91.7 | Very high | 86.5 | Confident | 92 Ų | 92 | 105.9 Ų | 105.9 | 56% | 0.558 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62 | -41 | 175.5 | 169.4 | 0 | 0 | 0 | 0 | 111.5 | L413 A414 I415 L420 W421 | L413-V417 WeakPolarHBondContact O-CG2 3.35Å; L413-V417 PolarHBondContact O-N 3.18Å; A414-V417 PolarHBondContact O-N 2.92Å; I415-V417 PolarHBondContact O-N 2.81Å; V417-L420 PolarHBondContact O-N 2.97Å; V417-W421 VanDerWaalsContact O-CB 3.24Å; V417-W421 WeakPolarHBondContact O-CB 3.24Å; V417-W421 PolarHBondContact O-N 3.16Å |
| 418 | I | 91.8 | Very high | 85.9 | Confident | 115 Ų | 115 | 107.8 Ų | 107.8 | 59% | 0.59 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.6 | -41.6 | 175.9 | -69.2 | 163.3 | 0 | 0 | 0 | 111.4 | A414 I415 I416 W421 R422 | A414-I418 VanDerWaalsContact O-CG1 3.3Å; A414-I418 WeakPolarHBondContact O-CG1 3.24Å; A414-I418 PolarHBondContact O-N 2.88Å; I415-I418 PolarHBondContact O-N 2.79Å; I416-I418 VanDerWaalsContact C-N 3.35Å; I416-I418 PolarHBondContact O-N 2.7Å; I418-W421 PolarHBondContact O-N 2.9Å; I418-R422 WeakPolarHBondContact O-CB 3.48Å; I418-R422 PolarHBondContact O-N 3.02Å |
| 419 | I | 91.1 | Very high | 84.9 | Confident | 82 Ų | 82 | 108.6 Ų | 108.6 | 42% | 0.421 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.7 | -46.8 | 176.8 | -69.2 | 166.7 | 0 | 0 | 0 | 110.8 | I415 I416 W421 R422 Q423 | I415-I419 HydrophobicContact CG2-CD1 3.78Å; I415-I419 HydrophobicContact CG2-CG1 4.45Å; I415-I419 WeakPolarHBondContact O-CG1 3.41Å; I415-I419 PolarHBondContact O-N 2.69Å; I416-I419 PolarHBondContact O-N 3.19Å; I419-W421 VanDerWaalsContact C-N 3.34Å; I419-W421 PolarHBondContact O-N 3.29Å; I419-R422 PolarHBondContact O-N 3.26Å; I419-Q423 WeakPolarHBondContact O-CG 3.45Å; I419-Q423 PolarHBondContact O-N 3.03Å |
| 420 | L | 88.1 | Confident | 83.8 | Confident | 100 Ų | 100 | 108.8 Ų | 108.8 | 52% | 0.524 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.8 | -39.2 | 177.3 | -70.3 | 172.2 | 0 | 0 | 0 | 111.8 | I416 V417 Q423 F424 | I416-L420 HydrophobicContact CG2-CD1 3.84Å; I416-L420 HydrophobicContact CG2-CG 4.34Å; I416-L420 WeakPolarHBondContact O-CB 3.5Å; I416-L420 VanDerWaalsContact O-CG 3.3Å; I416-L420 WeakPolarHBondContact O-CG 3.3Å; I416-L420 PolarHBondContact O-N 3.43Å; V417-L420 PolarHBondContact O-N 2.97Å; L420-Q423 PolarHBondContact O-N 3.47Å; L420-F424 VanDerWaalsContact O-CB 3.32Å; L420-F424 WeakPolarHBondContact O-CB 3.43Å; L420-F424 PolarHBondContact O-N 3.19Å |
| 421 | W | 87.7 | Confident | 82.5 | Confident | 171 Ų | 171 | 108.9 Ų | 108.9 | 65% | 0.648 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62 | -45.9 | 173.6 | -174.4 | -85.8 | 0 | 0 | 0 | 111.6 | V417 I418 I419 F424 W425 | V417-W421 VanDerWaalsContact O-CB 3.24Å; V417-W421 WeakPolarHBondContact O-CB 3.24Å; V417-W421 PolarHBondContact O-N 3.16Å; I418-W421 PolarHBondContact O-N 2.9Å; I419-W421 VanDerWaalsContact C-N 3.34Å; I419-W421 PolarHBondContact O-N 3.29Å; W421-F424 PolarHBondContact O-N 3.49Å; W421-W425 AromaticContact CD1-CD1 3.68Å; W421-W425 AromaticContact CE2-CD1 3.76Å; W421-W425 AromaticContact CE2-NE1 3.38Å; W421-W425 AromaticContact CZ2-NE1 3.53Å; W421-W425 AromaticContact NE1-CD1 3.37Å; W421-W425 AromaticContact NE1-NE1 3.25Å; W421-W425 PolarHBondContact O-N 2.91Å |
| 422 | R | 84.3 | Confident | 80.7 | Confident | 172 Ų | 172 | 106.5 Ų | 106.5 | 65% | 0.649 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.2 | -46.2 | 176.1 | -172.1 | -178.9 | -179.3 | -138.6 | 0.8 | 111.7 | I418 I419 F424 W425 Q426 | I418-R422 WeakPolarHBondContact O-CB 3.48Å; I418-R422 PolarHBondContact O-N 3.02Å; I419-R422 PolarHBondContact O-N 3.26Å; R422-F424 PolarHBondContact O-N 3.32Å; R422-W425 PolarHBondContact O-N 3.14Å; R422-Q426 WeakPolarHBondContact O-CG 3.34Å; R422-Q426 PolarHBondContact O-N 3.28Å |
| 423 | Q | 78.3 | Confident | 79 | Confident | 97 Ų | 97 | 105.5 Ų | 105.5 | 45% | 0.453 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.1 | -38.1 | 176.9 | -72.5 | -179.2 | 4.2 | 0 | 0 | 112.6 | I419 L420 Q426 K427 | I419-Q423 WeakPolarHBondContact O-CG 3.45Å; I419-Q423 PolarHBondContact O-N 3.03Å; L420-Q423 PolarHBondContact O-N 3.47Å; Q423-Q426 PolarHBondContact O-N 3.4Å; Q423-K427 WeakPolarHBondContact O-CG 3.39Å; Q423-K427 PolarHBondContact O-N 3.09Å |
| 424 | F | 84.8 | Confident | 77.2 | Confident | 136 Ų | 136 | 108.5 Ų | 108.5 | 60% | 0.596 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.7 | -45.1 | 174.5 | -177.6 | -93.7 | 0 | 0 | 0 | 111.4 | L420 W421 R422 K427 M428 | L420-F424 VanDerWaalsContact O-CB 3.32Å; L420-F424 WeakPolarHBondContact O-CB 3.43Å; L420-F424 PolarHBondContact O-N 3.19Å; W421-F424 PolarHBondContact O-N 3.49Å; R422-F424 PolarHBondContact O-N 3.32Å; F424-K427 PolarHBondContact O-N 2.97Å; F424-M428 HydrophobicContact CE1-CG 4.07Å; F424-M428 HydrophobicContact CZ-CG 4.37Å; F424-M428 PolarHBondContact O-N 3.35Å |
| 425 | W | 73.4 | Confident | 75.4 | Confident | 141 Ų | 141 | 114.7 Ų | 114.7 | 53% | 0.534 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 175.7 | -89.8 | 80 | 0 | 0 | 0 | 112.9 | W421 R422 M428 L429 | W421-W425 AromaticContact CD1-CD1 3.68Å; W421-W425 AromaticContact CE2-CD1 3.76Å; W421-W425 AromaticContact CE2-NE1 3.38Å; W421-W425 AromaticContact CZ2-NE1 3.53Å; W421-W425 AromaticContact NE1-CD1 3.37Å; W421-W425 AromaticContact NE1-NE1 3.25Å; W421-W425 PolarHBondContact O-N 2.91Å; R422-W425 PolarHBondContact O-N 3.14Å; W425-M428 WeakPolarHBondContact O-CB 3.42Å; W425-M428 PolarHBondContact O-N 2.96Å; W425-L429 WeakPolarHBondContact O-CG 3.48Å; W425-L429 PolarHBondContact O-N 3.24Å |
| 426 | Q | 73.4 | Confident | 73.3 | Confident | 97 Ų | 97 | 117.7 Ų | 117.7 | 45% | 0.453 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 173.6 | -72.8 | 176.4 | -78.6 | 0 | 0 | 111.7 | R422 Q423 M428 L429 E430 | R422-Q426 WeakPolarHBondContact O-CG 3.34Å; R422-Q426 PolarHBondContact O-N 3.28Å; Q423-Q426 PolarHBondContact O-N 3.4Å; Q426-M428 VanDerWaalsContact C-N 3.3Å; Q426-M428 PolarHBondContact O-N 2.59Å; Q426-L429 PolarHBondContact O-N 3.15Å; Q426-E430 PolarHBondContact O-N 3.3Å |
| 427 | K | 74.4 | Confident | 71.3 | Confident | 138 Ų | 138 | 119.1 Ų | 119.1 | 60% | 0.6 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -68.3 | -25.3 | 176.1 | -72.5 | -176.5 | 177.1 | -178.6 | 0 | 113.7 | Q423 F424 K431 | Q423-K427 WeakPolarHBondContact O-CG 3.39Å; Q423-K427 PolarHBondContact O-N 3.09Å; F424-K427 PolarHBondContact O-N 2.97Å; K427-K431 WeakPolarHBondContact O-CB 3.3Å; K427-K431 WeakPolarHBondContact O-CG 3.35Å; K427-K431 PolarHBondContact O-N 2.81Å |
| 428 | M | 73.6 | Confident | 69.2 | Low | 89 Ų | 89 | 119.3 Ų | 119.3 | 44% | 0.438 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -71.4 | -43.7 | 169.3 | -96.7 | -94.3 | 45.3 | 0 | 0 | 111.7 | F424 W425 Q426 K431 A432 | F424-M428 HydrophobicContact CE1-CG 4.07Å; F424-M428 HydrophobicContact CZ-CG 4.37Å; F424-M428 PolarHBondContact O-N 3.35Å; W425-M428 WeakPolarHBondContact O-CB 3.42Å; W425-M428 PolarHBondContact O-N 2.96Å; Q426-M428 VanDerWaalsContact C-N 3.3Å; Q426-M428 PolarHBondContact O-N 2.59Å; M428-K431 HydrophobicContact CE-CB 4.49Å; M428-K431 CarbonylContact O-C 3.47Å; M428-K431 PolarHBondContact O-N 3.35Å; M428-A432 PolarHBondContact O-N 3.47Å |
| 429 | L | 67.6 | Low | 67.2 | Low | 111 Ų | 111 | 119.8 Ų | 119.8 | 58% | 0.581 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.5 | -41.5 | 177.5 | -71.7 | 164.6 | 0 | 0 | 0 | 112 | W425 Q426 K431 A432 S433 | W425-L429 WeakPolarHBondContact O-CG 3.48Å; W425-L429 PolarHBondContact O-N 3.24Å; Q426-L429 PolarHBondContact O-N 3.15Å; L429-K431 VanDerWaalsContact C-N 3.34Å; L429-K431 PolarHBondContact O-N 2.67Å; L429-A432 PolarHBondContact O-N 3.31Å; L429-S433 PolarHBondContact O-N 2.89Å |
| 430 | E | 66.3 | Low | 65.1 | Low | 93 Ų | 93 | 123.1 Ų | 123.1 | 44% | 0.435 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -57.7 | -44.2 | 169.9 | -81.3 | -165.2 | 83.8 | 0 | 0 | 112.6 | Q426 A432 S433 R434 | Q426-E430 PolarHBondContact O-N 3.3Å; E430-A432 VanDerWaalsContact C-N 3.31Å; E430-A432 PolarHBondContact O-N 2.93Å; E430-S433 PolarHBondContact O-N 3.08Å; E430-R434 WeakPolarHBondContact O-CG 3.33Å; E430-R434 PolarHBondContact O-N 3.37Å; E430-R434 IonicContact OE1-CZ 2.83Å; E430-R434 IonicContact OE1-NE 3.79Å; E430-R434 IonicContact OE1-NH2 2.86Å; E430-R434 PolarHBondContact OE1-NH2 2.71Å |
| 431 | K | 62.8 | Low | 62.8 | Low | 145 Ų | 145 | 124.3 Ų | 124.3 | 63% | 0.63 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -71.2 | -23.5 | 178.8 | -81.2 | -174.7 | 171.5 | -175.5 | 0 | 113.7 | K427 M428 L429 R435 | K427-K431 WeakPolarHBondContact O-CB 3.3Å; K427-K431 WeakPolarHBondContact O-CG 3.35Å; K427-K431 PolarHBondContact O-N 2.81Å; M428-K431 HydrophobicContact CE-CB 4.49Å; M428-K431 CarbonylContact O-C 3.47Å; M428-K431 PolarHBondContact O-N 3.35Å; L429-K431 VanDerWaalsContact C-N 3.34Å; L429-K431 PolarHBondContact O-N 2.67Å; K431-R435 WeakPolarHBondContact O-CG 3.3Å |
| 432 | A | 53.8 | Low | 60.5 | Low | 53 Ų | 53 | 121.2 Ų | 121.2 | 44% | 0.438 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -74.3 | -44.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | M428 L429 E430 R435 | M428-A432 PolarHBondContact O-N 3.47Å; L429-A432 PolarHBondContact O-N 3.31Å; E430-A432 VanDerWaalsContact C-N 3.31Å; E430-A432 PolarHBondContact O-N 2.93Å; A432-R435 PolarHBondContact O-N 3.22Å |
| 433 | S | 51.3 | Low | 58.3 | Low | 72 Ų | 72 | 118.5 Ų | 118.5 | 50% | 0.503 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -58.6 | -52 | 177 | 172.5 | 0 | 0 | 0 | 0 | 112.5 | L429 E430 R435 M436 L437 | L429-S433 PolarHBondContact O-N 2.89Å; E430-S433 PolarHBondContact O-N 3.08Å; S433-R435 VanDerWaalsContact C-N 3.28Å; S433-R435 PolarHBondContact O-N 3.03Å; S433-M436 PolarHBondContact O-N 2.79Å; S433-L437 PolarHBondContact O-N 2.96Å |
| 434 | R | 52 | Low | 56.4 | Low | 155 Ų | 155 | 118.4 Ų | 118.4 | 59% | 0.585 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -60.8 | -34.6 | -178.1 | -66.2 | -178.9 | -161 | -144.7 | 5.6 | 113.1 | E430 M436 L437 D438 | E430-R434 WeakPolarHBondContact O-CG 3.33Å; E430-R434 PolarHBondContact O-N 3.37Å; E430-R434 IonicContact OE1-CZ 2.83Å; E430-R434 IonicContact OE1-NE 3.79Å; E430-R434 IonicContact OE1-NH2 2.86Å; E430-R434 PolarHBondContact OE1-NH2 2.71Å; R434-M436 VanDerWaalsContact C-N 3.3Å; R434-M436 PolarHBondContact O-N 2.88Å; R434-L437 PolarHBondContact O-N 3.48Å; R434-D438 PolarHBondContact O-N 3.13Å |
| 435 | R | 52.9 | Low | 54 | Low | 181 Ų | 181 | 118.9 Ų | 118.9 | 68% | 0.683 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.1 | -30.3 | 176.3 | -78.7 | 177 | 172.3 | 177.6 | -3.8 | 113.9 | K431 A432 S433 D439 | K431-R435 WeakPolarHBondContact O-CG 3.3Å; A432-R435 PolarHBondContact O-N 3.22Å; S433-R435 VanDerWaalsContact C-N 3.28Å; S433-R435 PolarHBondContact O-N 3.03Å; R435-D439 PolarHBondContact O-N 3.45Å |
| 436 | M | 48.3 | Very low | 52.2 | Low | 145 Ų | 145 | 116.6 Ų | 116.6 | 71% | 0.714 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -73.1 | -34.5 | 174 | -73.2 | -166.3 | 66.4 | 0 | 0 | 112.3 | S433 R434 E440 | S433-M436 PolarHBondContact O-N 2.79Å; R434-M436 VanDerWaalsContact C-N 3.3Å; R434-M436 PolarHBondContact O-N 2.88Å; M436-E440 PolarHBondContact O-N 2.98Å |
| 437 | L | 50.1 | Low | 50.1 | Low | 117 Ų | 117 | 120.1 Ų | 120.1 | 61% | 0.613 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.4 | -40.2 | 173.5 | -102.9 | 81.2 | 0 | 0 | 0 | 112.4 | S433 R434 D439 E440 M441 | S433-L437 PolarHBondContact O-N 2.96Å; R434-L437 PolarHBondContact O-N 3.48Å; L437-D439 PolarHBondContact O-N 3.47Å; L437-E440 PolarHBondContact O-N 3.2Å; L437-M441 WeakPolarHBondContact O-CB 3.11Å; L437-M441 PolarHBondContact O-N 2.96Å |
| 438 | D | 47.8 | Very low | 48.1 | Very low | 96 Ų | 96 | 119.2 Ų | 119.2 | 51% | 0.513 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -63.7 | -40.1 | -179.9 | -68.7 | -32.9 | 0 | 0 | 0 | 111.9 | R434 T442 | R434-D438 PolarHBondContact O-N 3.13Å; D438-T442 WeakPolarHBondContact O-CB 3.36Å; D438-T442 PolarHBondContact O-N 3.43Å; D438-T442 PolarHBondContact O-OG1 2.89Å |
| 439 | D | 49.1 | Very low | 46.2 | Very low | 125 Ų | 125 | 120.5 Ų | 120.5 | 67% | 0.668 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -65 | -37.2 | 175.6 | -83 | -20.1 | 0 | 0 | 0 | 112.1 | R435 L437 V443 | R435-D439 PolarHBondContact O-N 3.45Å; L437-D439 PolarHBondContact O-N 3.47Å; D439-V443 WeakPolarHBondContact O-CG2 3.41Å |
| 440 | E | 48.2 | Very low | 44.3 | Very low | 151 Ų | 151 | 122.8 Ų | 122.8 | 71% | 0.706 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -74.2 | -39.2 | 177.6 | -168.4 | 164.7 | -144.6 | 0 | 0 | 112.2 | M436 L437 T442 V443 | M436-E440 PolarHBondContact O-N 2.98Å; L437-E440 PolarHBondContact O-N 3.2Å; E440-T442 VanDerWaalsContact C-N 3.34Å; E440-T442 PolarHBondContact O-N 3.33Å; E440-V443 PolarHBondContact O-N 3.43Å |
| 441 | M | 38.8 | Very low | 42.5 | Very low | 126 Ų | 126 | 122.9 Ų | 122.9 | 62% | 0.621 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -67.6 | -32.6 | 176 | -170.4 | 169 | 179.9 | 0 | 0 | 112.4 | L437 V443 S444 | L437-M441 WeakPolarHBondContact O-CB 3.11Å; L437-M441 PolarHBondContact O-N 2.96Å; M441-V443 VanDerWaalsContact C-N 3.3Å; M441-V443 PolarHBondContact O-N 3.31Å; M441-S444 PolarHBondContact O-N 3.12Å; M441-S444 PolarHBondContact O-OG 3.02Å |
| 442 | T | 40.1 | Very low | 40.7 | Very low | 105 Ų | 105 | 121.2 Ų | 121.2 | 64% | 0.644 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -70 | -23.7 | -179.7 | -57.1 | 0 | 0 | 0 | 0 | 113.2 | D438 E440 | D438-T442 WeakPolarHBondContact O-CB 3.36Å; D438-T442 PolarHBondContact O-N 3.43Å; D438-T442 PolarHBondContact O-OG1 2.89Å; E440-T442 VanDerWaalsContact C-N 3.34Å; E440-T442 PolarHBondContact O-N 3.33Å |
| 443 | V | 37 | Very low | 39.4 | Very low | 116 Ų | 116 | 126.7 Ų | 126.7 | 70% | 0.703 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -78.1 | -20.4 | 179.8 | 173.3 | 0 | 0 | 0 | 0 | 113.2 | D439 E440 M441 | D439-V443 WeakPolarHBondContact O-CG2 3.41Å; E440-V443 PolarHBondContact O-N 3.43Å; M441-V443 VanDerWaalsContact C-N 3.3Å; M441-V443 PolarHBondContact O-N 3.31Å |
| 444 | S | 39.8 | Very low | 38.2 | Very low | 94 Ų | 94 | 131.8 Ų | 131.8 | 66% | 0.657 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 0.2 | -171.6 | 55.4 | 0 | 0 | 0 | 0 | 115.7 | M441 | M441-S444 PolarHBondContact O-N 3.12Å; M441-S444 PolarHBondContact O-OG 3.02Å |
| 445 | L | 34.1 | Very low | 37 | Very low | 147 Ų | 147 | 130.4 Ų | 130.4 | 77% | 0.77 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | 16.8 | -173.4 | -90 | 166.3 | 0 | 0 | 0 | 115.5 | ||
| 446 | S | 34.1 | Very low | 35.9 | Very low | 92 Ų | 92 | 128.3 Ų | 128.3 | 64% | 0.643 | 72% | 0.716 | S | S | * | * | trans | -131.3 | 95.1 | 178.3 | 64.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 447 | L | 29.3 | Very low | 34.8 | Very low | 172 Ų | 172 | 127.6 Ų | 127.6 | 90% | 0.901 | 72% | 0.715 | S | S | * | * | trans | -170 | 147.7 | 140.1 | -99.4 | 158.3 | 0 | 0 | 0 | 109.3 | ||||
| 448 | P | 33 | Very low | 33.7 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 77% | 0.766 | 73% | 0.725 | S | S | * | * | trans | -84.8 | 163.3 | -169.5 | -9.3 | 27.1 | 0 | 0 | 0 | 115.1 | ||||
| 449 | S | 33.9 | Very low | 32.6 | Very low | 116 Ų | 116 | 133 Ų | 133 | 81% | 0.811 | 74% | 0.736 | S | S | * | * | trans | -67.8 | 139.4 | 165.9 | 55.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 450 | D | 28 | Very low | 31.5 | Very low | 160 Ų | 160 | 132.3 Ų | 132.3 | 86% | 0.856 | 74% | 0.742 | S | S | * | * | trans | -146.3 | 179.8 | 152.9 | -142.9 | -33.3 | 0 | 0 | 0 | 111.1 | ||||
| 451 | S | 28.3 | Very low | 30.3 | Very low | 95 Ų | 95 | 130.4 Ų | 130.4 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | trans | -122.5 | 167.1 | -142.6 | 59.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 452 | S | 26.1 | Very low | 30.5 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | trans | 94.9 | 112.6 | 155.5 | 79 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 453 | M | 26.1 | Very low | 30 | Very low | 167 Ų | 167 | 129.5 Ų | 129.5 | 82% | 0.823 | 75% | 0.752 | S | S | * | * | trans | 51.3 | 142.2 | 131.3 | -66.9 | -155 | 148.2 | 0 | 0 | 125.9 | ||||
| 454 | F | 26.4 | Very low | 29.6 | Very low | 179 Ų | 179 | 131.3 Ų | 131.3 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | 87.2 | 113.3 | 145.2 | -89 | -59.3 | 0 | 0 | 0 | 122.8 | ||||
| 455 | N | 26.1 | Very low | 29 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 68% | 0.679 | 76% | 0.758 | S | S | * | * | 80.4 | 104.6 | 128.5 | -128.1 | 6.5 | 0 | 0 | 0 | 122.2 | |||||
| 456 | N | 28.9 | Very low | 28.7 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | 54.3 | 145.7 | 128.3 | -85.1 | -43.1 | 0 | 0 | 0 | 124.8 | |||||
| 457 | N | 26.4 | Very low | 28.4 | Very low | 130 Ų | 130 | 136.1 Ų | 136.1 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | trans | 87.7 | 104.6 | 148.7 | -81.5 | -33.1 | 0 | 0 | 0 | 122.2 | ||||
| 458 | R | 26.8 | Very low | 28.2 | Very low | 219 Ų | 219 | 135.3 Ų | 135.3 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | 62.8 | 107.7 | 120.8 | -73.8 | -173.7 | 171.7 | -154.8 | -1.1 | 121.3 | |||||
| 459 | S | 24.7 | Very low | 27.8 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | 82.8 | 166.4 | 117.5 | 74.6 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 460 | S | 25 | Very low | 27.4 | Very low | 112 Ų | 112 | 134 Ų | 134 | 78% | 0.783 | 75% | 0.748 | S | S | * | * | trans | 70.7 | 97.5 | 175.4 | 28.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 461 | S | 24.3 | Very low | 27.3 | Very low | 111 Ų | 111 | 136 Ų | 136 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | trans | -66 | -176.1 | 143.3 | 52.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 462 | P | 43.1 | Very low | 27.2 | Very low | 121 Ų | 121 | 136 Ų | 136 | 79% | 0.786 | 74% | 0.738 | S | S | * | * | cis | -118.8 | -152.5 | -3.4 | 46.4 | -31.7 | 0 | 0 | 0 | 110.7 | ||||
| 463 | S | 28 | Very low | 27.3 | Very low | 90 Ų | 90 | 140.3 Ų | 140.3 | 63% | 0.629 | 74% | 0.737 | S | S | * | * | cis | -150.6 | -164.7 | 0.9 | 51 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 464 | E | 29.4 | Very low | 27.2 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | cis | -163.3 | 175.3 | 6.2 | -143.8 | 149.9 | -73 | 0 | 0 | 111 | ||||
| 465 | Q | 27.1 | Very low | 27.2 | Very low | 164 Ų | 164 | 140.5 Ų | 140.5 | 77% | 0.766 | 74% | 0.739 | S | S | * | * | trans | 63.9 | 153.1 | 161.9 | -67.9 | -177.6 | -15.1 | 0 | 0 | 120.8 | ||||
| 466 | E | 28 | Very low | 27.6 | Very low | 167 Ų | 167 | 139 Ų | 139 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | cis | -169.9 | 136.5 | -49.3 | -123.9 | -175.1 | 171.7 | 0 | 0 | 110.6 | ||||
| 467 | S | 27.5 | Very low | 27.3 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | trans | 168.8 | 114.2 | 133.6 | 44.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 468 | N | 25.1 | Very low | 27.2 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | trans | 44.5 | 138.7 | 130.3 | -52.2 | -27.6 | 0 | 0 | 0 | 121 | ||||
| 469 | S | 23.7 | Very low | 27.6 | Very low | 100 Ų | 100 | 139 Ų | 139 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | cis | -149.5 | 127 | 19.2 | 54.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 470 | T | 26 | Very low | 27.6 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 66% | 0.656 | 75% | 0.749 | S | S | * | * | 23.7 | 142.2 | 128.9 | 33.7 | 0 | 0 | 0 | 0 | 121 | |||||
| 471 | Y | 25.7 | Very low | 27.5 | Very low | 201 Ų | 201 | 146.9 Ų | 146.9 | 79% | 0.788 | 75% | 0.752 | S | S | * | * | cis | -139.4 | 138.6 | 8.9 | -114.4 | -86.2 | 0 | 0 | 0 | 107.6 | ||||
| 472 | D | 27.1 | Very low | 27.4 | Very low | 97 Ų | 97 | 150.5 Ų | 150.5 | 52% | 0.519 | 76% | 0.757 | S | S | . | * | 57.1 | 135.2 | 61.5 | -87.5 | -31.9 | 0 | 0 | 0 | 113.7 | |||||
| 473 | R | 27.1 | Very low | 26.7 | Very low | 199 Ų | 199 | 153.7 Ų | 153.7 | 75% | 0.751 | 76% | 0.761 | S | S | * | * | cis | -156.5 | 178.1 | 4.6 | -128.6 | 164 | -114.1 | -177.4 | 5.1 | 107.7 | ||||
| 474 | I | 24.1 | Very low | 26.6 | Very low | 153 Ų | 153 | 154.8 Ų | 154.8 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | -162.1 | 132.8 | 60.9 | -71.3 | 169.1 | 0 | 0 | 0 | 110.8 | |||||
| 475 | F | 27.1 | Very low | 26.4 | Very low | 197 Ų | 197 | 152.2 Ų | 152.2 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | -109.3 | 156.5 | 150.6 | -100.8 | -78.6 | 0 | 0 | 0 | 106.7 | ||||
| 476 | P | 34 | Very low | 26.5 | Very low | 97 Ų | 97 | 155.8 Ų | 155.8 | 63% | 0.63 | 77% | 0.772 | S | S | * | * | -166.3 | 152.6 | 87.7 | 40.5 | -18.3 | 0 | 0 | 0 | 120.9 | |||||
| 477 | L | 22.6 | Very low | 26.4 | Very low | 152 Ų | 152 | 155.6 Ų | 155.6 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | trans | 62.9 | 154.3 | 139.9 | -60.6 | 168.2 | 0 | 0 | 0 | 119.2 | ||||
| 478 | R | 24.7 | Very low | 26.3 | Very low | 223 Ų | 223 | 157.6 Ų | 157.6 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | cis | -151.7 | 174.4 | -0.6 | -121.2 | -175.7 | -176 | -168.1 | 1.6 | 110 | ||||
| 479 | P | 35.9 | Very low | 26.4 | Very low | 110 Ų | 110 | 162.3 Ų | 162.3 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | trans | -105.6 | 180 | -166 | 42.8 | -38.8 | 0 | 0 | 0 | 115 | ||||
| 480 | D | 24.4 | Very low | 26.4 | Very low | 167 Ų | 167 | 164.5 Ų | 164.5 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | trans | -145.8 | 164.3 | 145.3 | -117.3 | -36.4 | 0 | 0 | 0 | 112.8 | ||||
| 481 | Y | 23 | Very low | 26.3 | Very low | 217 Ų | 217 | 166.8 Ų | 166.8 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -95.6 | 140.7 | -170.7 | -113.4 | -104.8 | 0 | 0 | 0 | 113.3 | ||||
| 482 | Q | 21.8 | Very low | 26.5 | Very low | 186 Ų | 186 | 163.1 Ų | 163.1 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | 171.2 | 140.7 | 118.8 | -96.5 | -178.8 | -15.5 | 0 | 0 | 113.7 | |||||
| 483 | E | 28.7 | Very low | 26.3 | Very low | 188 Ų | 188 | 165.1 Ų | 165.1 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | -118.3 | 134.5 | 167.5 | -170.8 | -171.7 | -127.4 | 0 | 0 | 108.9 | ||||
| 484 | P | 26.4 | Very low | 26.2 | Very low | 113 Ų | 113 | 166 Ų | 166 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -133.3 | 114.9 | 161.5 | 32.2 | -15.4 | 0 | 0 | 0 | 114.4 | ||||
| 485 | S | 24.8 | Very low | 26.3 | Very low | 101 Ų | 101 | 163.1 Ų | 163.1 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | -11.6 | 140.3 | 154.3 | 60.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 486 | R | 29.3 | Very low | 26.3 | Very low | 238 Ų | 238 | 159.8 Ų | 159.8 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | trans | 44.7 | 117.8 | 137.3 | -68.7 | -178.1 | 171.1 | 179.9 | -2.8 | 120.5 | ||||
| 487 | L | 25 | Very low | 25.8 | Very low | 164 Ų | 164 | 158.7 Ų | 158.7 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | trans | -160.1 | 111.3 | 139.3 | -96.7 | 143.7 | 0 | 0 | 0 | 106.3 | ||||
| 488 | I | 26.6 | Very low | 26 | Very low | 144 Ų | 144 | 160.9 Ų | 160.9 | 74% | 0.738 | 81% | 0.813 | S | S | * | * | 49 | 114.5 | 77.2 | -55.4 | 176.7 | 0 | 0 | 0 | 112.8 | |||||
| 489 | R | 26.7 | Very low | 26 | Very low | 254 Ų | 254 | 159.5 Ų | 159.5 | 96% | 0.958 | 82% | 0.816 | S | S | * | * | trans | -137.1 | 130.8 | 153.5 | -136.5 | 175.6 | -166.6 | -175.1 | 3.9 | 110 | ||||
| 490 | K | 23.2 | Very low | 25.4 | Very low | 147 Ų | 147 | 164 Ų | 164 | 64% | 0.639 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 157.7 | -175.4 | -93.8 | -163.9 | 177.4 | -166.6 | 0 | 112.8 | E493 | K490-E493 IonicContact NZ-OE1 3.38Å; K490-E493 PolarHBondContact NZ-OE1 3.44Å; K490-E493 IonicContact NZ-OE2 2.64Å; K490-E493 PolarHBondContact NZ-OE2 2.72Å |
| 491 | L | 24.7 | Very low | 25.4 | Very low | 154 Ų | 154 | 161.7 Ų | 161.7 | 81% | 0.806 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 156.6 | 153.2 | -77.9 | 158.1 | 0 | 0 | 0 | 111.1 | ||
| 492 | P | 28.9 | Very low | 25.4 | Very low | 124 Ų | 124 | 154.9 Ų | 154.9 | 81% | 0.805 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 140.3 | 175.5 | -13.3 | 29.5 | 0 | 0 | 0 | 112.6 | ||
| 493 | E | 22.4 | Very low | 25.3 | Very low | 140 Ų | 140 | 151.8 Ų | 151.8 | 65% | 0.654 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 150.4 | 173.1 | -71.5 | 157 | 147.8 | 0 | 0 | 110.7 | K490 | K490-E493 IonicContact NZ-OE1 3.38Å; K490-E493 PolarHBondContact NZ-OE1 3.44Å; K490-E493 IonicContact NZ-OE2 2.64Å; K490-E493 PolarHBondContact NZ-OE2 2.72Å |
| 494 | F | 25.2 | Very low | 25 | Very low | 217 Ų | 217 | 148.7 Ų | 148.7 | 95% | 0.952 | 82% | 0.817 | S | S | * | * | trans | -129.7 | 155 | 152.6 | -98.3 | -79.7 | 0 | 0 | 0 | 109.5 | ||||
| 495 | A | 26 | Very low | 24.9 | Very low | 92 Ų | 92 | 147 Ų | 147 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | trans | -84.6 | 158.5 | -149.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 496 | P | 28 | Very low | 24.8 | Very low | 127 Ų | 127 | 149.2 Ų | 149.2 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | trans | -89.2 | 173.5 | -176 | 37.6 | -37.5 | 0 | 0 | 0 | 114.2 | ||||
| 497 | G | 22.6 | Very low | 24.6 | Very low | 75 Ų | 75 | 144 Ų | 144 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | trans | -116.9 | 150.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 498 | E | 27 | Very low | 24.5 | Very low | 198 Ų | 198 | 144.3 Ų | 144.3 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | trans | -95.3 | 174.6 | -164.8 | -65.6 | 179.9 | 133.5 | 0 | 0 | 114.9 | ||||
| 499 | E | 24.8 | Very low | 24.4 | Very low | 193 Ų | 193 | 143.7 Ų | 143.7 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | trans | -75.3 | 159.4 | -171.1 | -49.3 | 174.5 | 146.7 | 0 | 0 | 114.2 | ||||
| 500 | E | 23.4 | Very low | 24.3 | Very low | 204 Ų | 204 | 137.1 Ų | 137.1 | 95% | 0.953 | 81% | 0.812 | S | S | * | * | trans | -151.4 | 171 | 135.2 | -133.7 | -177.9 | -161.4 | 0 | 0 | 112.2 | ||||
| 501 | S | 24.5 | Very low | 24.4 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | trans | -113.8 | 152.1 | -160.1 | -176.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 502 | G | 23.1 | Very low | 24.4 | Very low | 75 Ų | 75 | 137.2 Ų | 137.2 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | -179.5 | 123.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 503 | C | 19.9 | Very low | 24.3 | Very low | 120 Ų | 120 | 137 Ų | 137 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | trans | -98.4 | 161.1 | 179.4 | -67.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 504 | S | 23.6 | Very low | 24.4 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | 117.3 | 102.3 | 148.6 | -50.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 505 | G | 22.9 | Very low | 24.5 | Very low | 77 Ų | 77 | 129 Ų | 129 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | trans | -91.3 | -164 | -168.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 506 | V | 24.3 | Very low | 24.6 | Very low | 149 Ų | 149 | 134.1 Ų | 134.1 | 90% | 0.903 | 82% | 0.822 | S | S | * | * | trans | -138.3 | 156.4 | 163.2 | 172 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 507 | V | 23.3 | Very low | 24.8 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 78% | 0.782 | 82% | 0.818 | S | S | * | * | trans | -68 | 135.2 | -166.4 | -179.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 508 | K | 23.9 | Very low | 25.4 | Very low | 170 Ų | 170 | 133 Ų | 133 | 74% | 0.739 | 81% | 0.812 | S | S | * | * | trans | 12.9 | 146.8 | 134.1 | -107.9 | -179.8 | -176.4 | -178 | 0 | 119.4 | V510 | K508-V510 HydrophobicContact CG-CG2 4.36Š| ||
| 509 | P | 23.5 | Very low | 25.9 | Very low | 131 Ų | 131 | 125.8 Ų | 125.8 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | -130.1 | 165.7 | 70.7 | 39.1 | -29.9 | 0 | 0 | 0 | 116.2 | |||||
| 510 | V | 26.1 | Very low | 26.7 | Very low | 116 Ų | 116 | 121.1 Ų | 121.1 | 70% | 0.703 | 76% | 0.76 | S | S | * | * | trans | -128.1 | 129.1 | 173.4 | 168.1 | 0 | 0 | 0 | 0 | 108 | K508 | K508-V510 HydrophobicContact CG-CG2 4.36Š| ||
| 511 | Q | 24.9 | Very low | 27.7 | Very low | 188 Ų | 188 | 112.2 Ų | 112.2 | 88% | 0.879 | 72% | 0.718 | S | S | * | * | trans | -177.1 | 152.4 | 156.9 | -110.2 | 179.9 | 6.8 | 0 | 0 | 110 | ||||
| 512 | P | 24.8 | Very low | 28.5 | Very low | 114 Ų | 114 | 107.4 Ų | 107.4 | 74% | 0.74 | 69% | 0.685 | S | S | * | * | cis | -116.6 | 166.5 | -36.8 | 37.5 | -25.7 | 0 | 0 | 0 | 111.5 | G514 | P512-G514 PolarHBondContact O-N 3.5Š| ||
| 513 | S | 27.3 | Very low | 28.8 | Very low | 120 Ų | 120 | 108.3 Ų | 108.3 | 84% | 0.839 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 120.7 | 168.3 | 49.8 | 0 | 0 | 0 | 0 | 110.8 | ||
| 514 | G | 23 | Very low | 29.3 | Very low | 58 Ų | 58 | 104.6 Ų | 104.6 | 60% | 0.598 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -75 | 162 | 159.4 | 0 | 0 | 0 | 0 | 0 | 111 | P512 | P512-G514 PolarHBondContact O-N 3.5Š|
| 515 | P | 27.7 | Very low | 29.4 | Very low | 132 Ų | 132 | 106.3 Ų | 106.3 | 86% | 0.857 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 138.5 | 173 | 30.1 | -33.8 | 0 | 0 | 0 | 110.6 | G517 | P515-G517 PolarHBondContact O-N 2.98Š|
| 516 | E | 28.8 | Very low | 29.7 | Very low | 199 Ų | 199 | 108.5 Ų | 108.5 | 93% | 0.93 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 116.2 | 170.6 | -67.6 | 172.8 | 139.7 | 0 | 0 | 108.6 | ||
| 517 | G | 31.9 | Very low | 29.8 | Very low | 72 Ų | 72 | 106.9 Ų | 106.9 | 74% | 0.742 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 132.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P515 | P515-G517 PolarHBondContact O-N 2.98Š|
| 518 | V | 34.5 | Very low | 29.8 | Very low | 107 Ų | 107 | 107.9 Ų | 107.9 | 65% | 0.648 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -75 | 134.6 | 166.6 | 179.3 | 0 | 0 | 0 | 0 | 108.3 | ||
| 519 | P | 38.2 | Very low | 30.2 | Very low | 45 Ų | 45 | 104.4 Ų | 104.4 | 29% | 0.292 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -54.6 | 140.2 | -172.4 | -31.3 | 38.7 | 0 | 0 | 0 | 114.7 | Y521 E523 Q664 | P519-Y521 VanDerWaalsContact C-N 3.33Å; P519-Y521 WeakPolarHBondContact CB-O 3.36Å; P519-Y521 PolarHBondContact O-N 2.89Å; P519-E523 HydrophobicContact CB-CB 3.85Å; P519-E523 HydrophobicContact CG-CB 3.89Å; P519-E523 HydrophobicContact CG-CG 4.48Å; P519-E523 WeakPolarHBondContact CG-OE2 3.17Å; P519-Q664 PolarHBondContact O-OE1 2.86Å |
| 520 | H | 40.9 | Very low | 30.2 | Very low | 95 Ų | 95 | 107.7 Ų | 107.7 | 44% | 0.44 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -74.9 | -20.7 | -173.4 | -83.8 | -89.6 | 0 | 0 | 0 | 114.4 | G660 | H520-G660 WeakPolarHBondContact O-CA 3.47Š|
| 521 | Y | 44.8 | Very low | 30.4 | Very low | 18 Ų | 18 | 105.8 Ų | 105.8 | 7% | 0.071 | 63% | 0.627 | C | S | . | * | S | Bend | trans | -133.8 | 172.4 | 173.2 | -82.5 | -122 | 0 | 0 | 0 | 106.4 | P519 E523 L569 Y656 M657 L717 | P519-Y521 VanDerWaalsContact C-N 3.33Å; P519-Y521 WeakPolarHBondContact CB-O 3.36Å; P519-Y521 PolarHBondContact O-N 2.89Å; Y521-E523 PolarHBondContact O-N 3.39Å; Y521-E523 VanDerWaalsContact O-N 3.1Å; Y521-L569 CarbonylContact C-O 3.59Å; Y521-L569 WeakPolarHBondContact CB-O 3.38Å; Y521-L569 HydrophobicContact CD1-CB 4.24Å; Y521-L569 HydrophobicContact CD1-CD1 4.35Å; Y521-L569 HydrophobicContact CD2-CB 4.28Å; Y521-L569 HydrophobicContact CD2-CD1 4.18Å; Y521-L569 HydrophobicContact CD2-CD2 3.74Å; Y521-L569 HydrophobicContact CD2-CG 4.28Å; Y521-L569 HydrophobicContact CE1-CD1 4.27Å; Y521-L569 HydrophobicContact CE2-CD1 4.13Å; Y521-L569 HydrophobicContact CE2-CD2 4.2Å; Y521-L569 HydrophobicContact CG-CB 3.89Å; Y521-L569 HydrophobicContact CG-CD1 4.32Å; Y521-L569 HydrophobicContact CG-CD2 4.23Å; Y521-L569 HydrophobicContact CG-CG 4.36Å; Y521-Y656 HydrophobicContact CE2-CD2 4.32Å; Y521-Y656 AromaticContact CE2-CE2 3.6Å; Y521-Y656 HydrophobicContact CE2-CE2 3.6Å; Y521-Y656 AromaticContact CZ-CE2 3.93Å; Y521-M657 WeakPolarHBondContact CE2-O 3.25Å; Y521-M657 PolarHBondContact OH-N 2.77Å; Y521-M657 VanDerWaalsContact OH-N 3.15Å; Y521-M657 PolarHBondContact OH-O 2.69Å; Y521-L717 HydrophobicContact CE1-CD1 4.01Å; Y521-L717 HydrophobicContact CE1-CD2 4.14Å |
| 522 | A | 41.1 | Very low | 30.5 | Very low | 17 Ų | 17 | 100.9 Ų | 100.9 | 14% | 0.14 | 61% | 0.61 | C | S | . | * | trans | -70.6 | 106.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | G570 L735 | A522-G570 WeakPolarHBondContact O-CA 3.33Å; A522-L735 HydrophobicContact CB-CB 3.92Å; A522-L735 HydrophobicContact CB-CD2 3.82Å | ||
| 523 | E | 30.4 | Very low | 30.6 | Very low | 95 Ų | 95 | 102.4 Ų | 102.4 | 44% | 0.444 | 62% | 0.617 | S | S | . | * | trans | -111 | 148.3 | 169 | -178.5 | 170.9 | -129.1 | 0 | 0 | 110.8 | P519 Y521 | P519-E523 HydrophobicContact CB-CB 3.85Å; P519-E523 HydrophobicContact CG-CB 3.89Å; P519-E523 HydrophobicContact CG-CG 4.48Å; P519-E523 WeakPolarHBondContact CG-OE2 3.17Å; Y521-E523 PolarHBondContact O-N 3.39Å; Y521-E523 VanDerWaalsContact O-N 3.1Å | ||
| 524 | A | 30.1 | Very low | 30.6 | Very low | 41 Ų | 41 | 99 Ų | 99 | 34% | 0.339 | 60% | 0.602 | S | S | . | * | trans | -159.2 | 149.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | N734 | A524-N734 HydrophobicContact CB-CB 4.01Š| ||
| 525 | D | 25.4 | Very low | 31.1 | Very low | 159 Ų | 159 | 98.4 Ų | 98.4 | 85% | 0.85 | 60% | 0.595 | S | S | * | * | trans | -65.1 | 149 | 178.3 | -88.8 | -52 | 0 | 0 | 0 | 114 | V527 | D525-V527 PolarHBondContact O-N 2.9Å; D525-V527 VanDerWaalsContact O-N 3.08Å | ||
| 526 | I | 28.5 | Very low | 31.6 | Very low | 123 Ų | 123 | 94.2 Ų | 94.2 | 63% | 0.631 | 57% | 0.565 | S | S | * | * | trans | -76.1 | 98.6 | -176.8 | -56.1 | 176.7 | 0 | 0 | 0 | 111.1 | ||||
| 527 | V | 25.8 | Very low | 31.9 | Very low | 116 Ų | 116 | 85.8 Ų | 85.8 | 70% | 0.703 | 53% | 0.528 | S | S | * | . | trans | -87.9 | 116.7 | 163.6 | -172.4 | 0 | 0 | 0 | 0 | 109.4 | D525 L529 | D525-V527 PolarHBondContact O-N 2.9Å; D525-V527 VanDerWaalsContact O-N 3.08Å; V527-L529 PolarHBondContact O-N 2.8Å | ||
| 528 | N | 25 | Very low | 32.5 | Very low | 150 Ų | 150 | 84.5 Ų | 84.5 | 80% | 0.802 | 50% | 0.501 | S | S | * | . | trans | -65.4 | 90.2 | -177.8 | -85.4 | -37.6 | 0 | 0 | 0 | 112.9 | Q530 | N528-Q530 PolarHBondContact O-N 2.99Š| ||
| 529 | L | 31.5 | Very low | 32.7 | Very low | 97 Ų | 97 | 79.6 Ų | 79.6 | 51% | 0.508 | 47% | 0.471 | S | S | . | . | trans | -92.9 | 83.3 | 178.2 | -83.2 | 155.2 | 0 | 0 | 0 | 111.8 | V527 | V527-L529 PolarHBondContact O-N 2.8Š| ||
| 530 | Q | 24.6 | Very low | 32.5 | Very low | 199 Ų | 199 | 81.1 Ų | 81.1 | 93% | 0.93 | 48% | 0.48 | S | S | * | . | trans | -71.2 | 132.2 | 161.9 | -67.8 | -178.6 | -66 | 0 | 0 | 109.6 | N528 | N528-Q530 PolarHBondContact O-N 2.99Š| ||
| 531 | G | 28.6 | Very low | 32.1 | Very low | 77 Ų | 77 | 79 Ų | 79 | 79% | 0.794 | 47% | 0.474 | S | S | * | . | trans | 131.5 | 8.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 532 | V | 27.5 | Very low | 31.5 | Very low | 84 Ų | 84 | 81.2 Ų | 81.2 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | trans | -125.9 | 120.1 | 175.8 | -84.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 533 | T | 26.3 | Very low | 31 | Very low | 146 Ų | 146 | 82.2 Ų | 82.2 | 90% | 0.896 | 50% | 0.5 | S | S | * | . | trans | -109 | 14.5 | 178.2 | 44.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 534 | G | 28.9 | Very low | 31.1 | Very low | 50 Ų | 50 | 81.7 Ų | 81.7 | 52% | 0.515 | 50% | 0.504 | S | S | . | . | trans | -70.8 | 140 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 535 | G | 33.5 | Very low | 31.4 | Very low | 44 Ų | 44 | 87.1 Ų | 87.1 | 45% | 0.454 | 52% | 0.524 | S | S | . | . | trans | -66.6 | 155.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y538 D621 | G535-Y538 WeakPolarHBondContact O-CE2 3.39Å; G535-D621 VanDerWaalsContact CA-OD2 3.23Å; G535-D621 WeakPolarHBondContact CA-OD2 3.5Å | ||
| 536 | N | 36.4 | Very low | 31.8 | Very low | 44 Ų | 44 | 85.3 Ų | 85.3 | 24% | 0.235 | 51% | 0.514 | C | S | . | . | S | Bend | trans | -102.9 | -0.2 | -165.7 | -113.3 | 35.2 | 0 | 0 | 0 | 115.3 | F574 D621 | N536-F574 HydrophobicContact CB-CD2 4.18Å; N536-F574 HydrophobicContact CB-CE2 4.15Å; N536-D621 PolarHBondContact N-OD2 2.8Å |
| 537 | T | 36.8 | Very low | 32.1 | Very low | 22 Ų | 22 | 84.5 Ų | 84.5 | 14% | 0.135 | 51% | 0.511 | C | S | . | . | trans | -91.2 | 99.3 | 174.3 | -45.3 | 0 | 0 | 0 | 0 | 110.5 | D621 I628 | T537-D621 WeakPolarHBondContact OG1-CB 3.49Å; T537-D621 PolarHBondContact OG1-O 3.16Å; T537-I628 HydrophobicContact CG2-CD1 4.46Å | ||
| 538 | Y | 44 | Very low | 32.9 | Very low | 45 Ų | 45 | 82.1 Ų | 82.1 | 18% | 0.176 | 49% | 0.494 | C | S | . | . | trans | -84.1 | -22.1 | -179.8 | -80.4 | -117.9 | 0 | 0 | 0 | 112 | G535 V540 R709 R733 A747 V748 | G535-Y538 WeakPolarHBondContact O-CE2 3.39Å; Y538-V540 PolarHBondContact O-N 2.81Å; Y538-R709 WeakPolarHBondContact O-CD 3.33Å; Y538-R733 VanDerWaalsContact CD1-NH2 3.3Å; Y538-R733 VanDerWaalsContact CG-NH2 3.27Å; Y538-A747 HydrophobicContact CE1-CB 4.11Å; Y538-V748 WeakPolarHBondContact CE1-O 3.4Å; Y538-V748 PolarHBondContact OH-N 2.86Å | ||
| 539 | S | 39.1 | Very low | 33.7 | Very low | 4 Ų | 4 | 80 Ų | 80 | 3% | 0.028 | 49% | 0.49 | C | S | . | . | trans | -68.8 | 61.5 | 162.6 | 50.6 | 0 | 0 | 0 | 0 | 113.6 | P541 D728 | S539-P541 WeakPolarHBondContact O-CD 3.42Å; S539-D728 WeakPolarHBondContact CB-OD2 3.48Å; S539-D728 PolarHBondContact N-OD2 3.41Å; S539-D728 PolarHBondContact OG-OD2 3.47Å | ||
| 540 | V | 33.7 | Very low | 34 | Very low | 78 Ų | 78 | 77.3 Ų | 77.3 | 47% | 0.473 | 49% | 0.486 | S | S | . | . | trans | -70.6 | 116.4 | 166.5 | 178.7 | 0 | 0 | 0 | 0 | 108.3 | Y538 R709 | Y538-V540 PolarHBondContact O-N 2.81Å; V540-R709 PolarHBondContact O-NH2 3.12Å | ||
| 541 | P | 32.3 | Very low | 34.8 | Very low | 51 Ų | 51 | 77.3 Ų | 77.3 | 33% | 0.331 | 48% | 0.483 | S | S | . | . | trans | -64.8 | 139.5 | -176.1 | -21.9 | 34.7 | 0 | 0 | 0 | 111.8 | S539 V543 I628 | S539-P541 WeakPolarHBondContact O-CD 3.42Å; P541-V543 HydrophobicContact CB-CB 3.73Å; P541-V543 HydrophobicContact CB-CG2 3.72Å; P541-V543 PolarHBondContact O-N 3.15Å; P541-I628 HydrophobicContact CG-CD1 3.93Å; P541-I628 HydrophobicContact CG-CG1 4.27Å | ||
| 542 | A | 32 | Very low | 35.5 | Very low | 63 Ų | 63 | 79.2 Ų | 79.2 | 52% | 0.521 | 48% | 0.475 | S | S | . | . | trans | -81.7 | 25.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V707 | A542-V707 HydrophobicContact CB-CG2 4.09Š| ||
| 543 | V | 31.7 | Very low | 36.6 | Very low | 39 Ų | 39 | 78.9 Ų | 78.9 | 24% | 0.236 | 47% | 0.473 | C | S | . | . | trans | -88.3 | 123.4 | -176.7 | 174 | 0 | 0 | 0 | 0 | 108.3 | P541 L547 | P541-V543 HydrophobicContact CB-CB 3.73Å; P541-V543 HydrophobicContact CB-CG2 3.72Å; P541-V543 PolarHBondContact O-N 3.15Å; V543-L547 HydrophobicContact CG1-CB 3.64Å; V543-L547 HydrophobicContact CG1-CD1 4.12Å | ||
| 544 | T | 30.9 | Very low | 38 | Very low | 84 Ų | 84 | 76.2 Ų | 76.2 | 52% | 0.515 | 47% | 0.466 | S | S | . | . | trans | -59.2 | 139.2 | 170 | 47.4 | 0 | 0 | 0 | 0 | 110.1 | D546 L547 | T544-D546 PolarHBondContact O-N 3.27Å; T544-L547 PolarHBondContact O-N 3.33Å | ||
| 545 | M | 36.2 | Very low | 39.8 | Very low | 154 Ų | 154 | 75.9 Ų | 75.9 | 76% | 0.759 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -53 | -24.9 | 179.4 | -82.4 | -77.6 | -172 | 0 | 0 | 113 | L547 L548 S549 | M545-L547 VanDerWaalsContact C-N 3.25Å; M545-L547 PolarHBondContact O-N 3.08Å; M545-L548 WeakPolarHBondContact O-CA 3.38Å; M545-L548 WeakPolarHBondContact O-CB 3.1Å; M545-L548 PolarHBondContact O-N 3.2Å; M545-L548 HydrophobicContact SD-CD1 3.64Å; M545-S549 PolarHBondContact O-N 2.9Å |
| 546 | D | 34.4 | Very low | 41.7 | Very low | 121 Ų | 121 | 79.1 Ų | 79.1 | 65% | 0.647 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -52.9 | -37.8 | 173.4 | -50 | -43.9 | 0 | 0 | 0 | 113.2 | T544 L548 S549 | T544-D546 PolarHBondContact O-N 3.27Å; D546-L548 VanDerWaalsContact C-N 3.27Å; D546-L548 PolarHBondContact O-N 3.09Å; D546-S549 PolarHBondContact O-N 2.83Å; D546-S549 PolarHBondContact O-OG 3.01Å |
| 547 | L | 36.1 | Very low | 44 | Very low | 106 Ų | 106 | 80.3 Ų | 80.3 | 56% | 0.555 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -76.9 | -12.5 | 176.7 | -81.1 | 168.6 | 0 | 0 | 0 | 113.1 | V543 T544 M545 R631 | V543-L547 HydrophobicContact CG1-CB 3.64Å; V543-L547 HydrophobicContact CG1-CD1 4.12Å; T544-L547 PolarHBondContact O-N 3.33Å; M545-L547 VanDerWaalsContact C-N 3.25Å; M545-L547 PolarHBondContact O-N 3.08Å; L547-R631 PolarHBondContact O-NH1 3.09Å |
| 548 | L | 41.1 | Very low | 46.4 | Very low | 67 Ų | 67 | 79.4 Ų | 79.4 | 35% | 0.351 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -84.4 | -11.6 | 170.4 | -65.4 | 168.9 | 0 | 0 | 0 | 112.5 | M545 D546 G550 | M545-L548 WeakPolarHBondContact O-CA 3.38Å; M545-L548 WeakPolarHBondContact O-CB 3.1Å; M545-L548 PolarHBondContact O-N 3.2Å; M545-L548 HydrophobicContact SD-CD1 3.64Å; D546-L548 VanDerWaalsContact C-N 3.27Å; D546-L548 PolarHBondContact O-N 3.09Å; L548-G550 VanDerWaalsContact C-N 3.33Å |
| 549 | S | 41.5 | Very low | 48.4 | Very low | 104 Ų | 104 | 80.4 Ų | 80.4 | 73% | 0.727 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -80.2 | -10.1 | 175 | 87.7 | 0 | 0 | 0 | 0 | 114.2 | M545 D546 | M545-S549 PolarHBondContact O-N 2.9Å; D546-S549 PolarHBondContact O-N 2.83Å; D546-S549 PolarHBondContact O-OG 3.01Å |
| 550 | G | 38.2 | Very low | 50.6 | Low | 41 Ų | 41 | 83.4 Ų | 83.4 | 42% | 0.423 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -64.8 | 135.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L548 D552 | L548-G550 VanDerWaalsContact C-N 3.33Å; G550-D552 PolarHBondContact O-N 3.33Å |
| 551 | K | 40.8 | Very low | 53.1 | Low | 199 Ų | 199 | 89.5 Ų | 89.5 | 87% | 0.865 | 50% | 0.499 | S | S | * | . | trans | -29.8 | 129.1 | -178.4 | -73.8 | -177.3 | 175.2 | -178.5 | 0 | 112.5 | V553 | K551-V553 PolarHBondContact O-N 3.32Å; K551-V553 VanDerWaalsContact O-N 3.1Å | ||
| 552 | D | 43.5 | Very low | 55.7 | Low | 118 Ų | 118 | 90.6 Ų | 90.6 | 63% | 0.631 | 50% | 0.501 | S | S | * | . | trans | -53.1 | 121 | 174.7 | -73.7 | -64 | 0 | 0 | 0 | 110.7 | G550 A554 K627 | G550-D552 PolarHBondContact O-N 3.33Å; D552-A554 PolarHBondContact O-N 2.78Å; D552-K627 IonicContact OD1-NZ 3.25Å; D552-K627 PolarHBondContact OD1-NZ 3.02Å | ||
| 553 | V | 50.5 | Low | 58.4 | Low | 76 Ų | 76 | 89.1 Ų | 89.1 | 46% | 0.461 | 48% | 0.484 | S | S | . | . | trans | -70.6 | 100.2 | 169 | 178.6 | 0 | 0 | 0 | 0 | 105.6 | K551 V555 | K551-V553 PolarHBondContact O-N 3.32Å; K551-V553 VanDerWaalsContact O-N 3.1Å; V553-V555 PolarHBondContact O-N 2.92Å | ||
| 554 | A | 56.3 | Low | 61.2 | Low | 91 Ų | 91 | 90.7 Ų | 90.7 | 75% | 0.752 | 49% | 0.494 | S | S | * | . | trans | -64.7 | 99.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | D552 | D552-A554 PolarHBondContact O-N 2.78Š| ||
| 555 | V | 67.6 | Low | 64.1 | Low | 43 Ų | 43 | 91.9 Ų | 91.9 | 26% | 0.261 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -69 | 131.4 | 168.1 | -167.2 | 0 | 0 | 0 | 0 | 107.2 | V553 L640 V643 | V553-V555 PolarHBondContact O-N 2.92Å; V555-L640 HydrophobicContact CG1-CD2 4.26Å; V555-L640 HydrophobicContact CG1-CG 4.48Å; V555-L640 HydrophobicContact CG2-CD2 4.42Å; V555-V643 HydrophobicContact CB-CG2 4.17Å; V555-V643 HydrophobicContact CG1-CG1 4Å; V555-V643 HydrophobicContact CG1-CG2 3.94Å |
| 556 | E | 73.7 | Confident | 66.7 | Low | 111 Ų | 111 | 89.2 Ų | 89.2 | 52% | 0.519 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 132.6 | -177.8 | -61.7 | -165.5 | 155.2 | 0 | 0 | 111 | F558 F588 V643 | E556-F558 PolarHBondContact O-N 3.08Å; E556-F588 HydrophobicContact CB-CD1 3.69Å; E556-F588 HydrophobicContact CB-CE1 3.73Å; E556-F588 WeakPolarHBondContact OE2-CD1 3.08Å; E556-V643 PolarHBondContact O-N 3.31Å |
| 557 | E | 83.9 | Confident | 69.2 | Low | 70 Ų | 70 | 87.4 Ų | 87.4 | 33% | 0.327 | 46% | 0.464 | S | S | . | . | B | Isolated β-bridge | trans | -75.6 | 116.6 | 177.4 | -179.4 | 77.1 | 163.1 | 0 | 0 | 109.5 | C644 I645 T646 | E557-C644 WeakPolarHBondContact OE2-CA 3.46Å; E557-I645 VanDerWaalsContact CD-N 3.33Å; E557-I645 PolarHBondContact OE1-N 3.25Å; E557-I645 WeakPolarHBondContact OE2-CG1 3.31Å; E557-I645 PolarHBondContact OE2-N 3.13Å; E557-T646 VanDerWaalsContact CD-OG1 3.24Å; E557-T646 WeakPolarHBondContact OE1-CB 3.45Å; E557-T646 PolarHBondContact OE1-N 2.96Å; E557-T646 PolarHBondContact OE1-OG1 3.03Å |
| 558 | F | 86.7 | Confident | 71.5 | Confident | 2 Ų | 2 | 85.1 Ų | 85.1 | 1% | 0.009 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -81.4 | 133.4 | 178.4 | -167.5 | -100.9 | 0 | 0 | 0 | 111.1 | E556 R560 L562 L563 V582 M585 F588 A642 V643 C644 I653 | E556-F558 PolarHBondContact O-N 3.08Å; F558-R560 PolarHBondContact O-N 2.87Å; F558-L562 HydrophobicContact CE1-CB 3.73Å; F558-L562 HydrophobicContact CZ-CB 3.78Å; F558-L562 HydrophobicContact CZ-CD1 4.38Å; F558-L563 HydrophobicContact CD1-CD1 4.49Å; F558-L563 HydrophobicContact CD1-CD2 3.94Å; F558-L563 HydrophobicContact CD1-CG 3.96Å; F558-L563 HydrophobicContact CE1-CD2 3.79Å; F558-L563 HydrophobicContact CE1-CG 3.88Å; F558-V582 HydrophobicContact CE1-CB 4.46Å; F558-V582 HydrophobicContact CE1-CG1 3.83Å; F558-V582 HydrophobicContact CZ-CB 3.93Å; F558-V582 HydrophobicContact CZ-CG1 3.78Å; F558-M585 HydrophobicContact CD2-CE 4.49Å; F558-M585 HydrophobicContact CD2-SD 3.82Å; F558-M585 HydrophobicContact CE2-SD 3.46Å; F558-M585 WeakPolarHBondContact CE2-SD 3.17Å; F558-M585 HydrophobicContact CZ-SD 4.29Å; F558-F588 HydrophobicContact CD2-CD1 4.47Å; F558-F588 HydrophobicContact CD2-CD2 4.07Å; F558-F588 HydrophobicContact CD2-CE1 4.12Å; F558-F588 AromaticContact CD2-CE2 3.68Å; F558-F588 HydrophobicContact CD2-CE2 3.68Å; F558-F588 HydrophobicContact CD2-CG 4.46Å; F558-F588 AromaticContact CD2-CZ 3.72Å; F558-F588 HydrophobicContact CD2-CZ 3.72Å; F558-F588 HydrophobicContact CE2-CD2 4.14Å; F558-F588 AromaticContact CE2-CE2 3.81Å; F558-F588 HydrophobicContact CE2-CE2 3.81Å; F558-F588 HydrophobicContact CE2-CZ 4.29Å; F558-A642 HydrophobicContact CB-CB 3.85Å; F558-V643 PolarHBondContact N-O 3.35Å; F558-C644 PolarHBondContact O-SG 2.81Å; F558-I653 HydrophobicContact CB-CD1 3.53Å; F558-I653 HydrophobicContact CD1-CD1 3.67Å; F558-I653 HydrophobicContact CG-CD1 3.67Å |
| 559 | P | 86.1 | Confident | 73.3 | Confident | 67 Ų | 67 | 82.1 Ų | 82.1 | 44% | 0.435 | 43% | 0.434 | S | S | . | . | trans | -66.3 | 98.6 | 174.9 | -20 | 32.7 | 0 | 0 | 0 | 111.4 | K561 L562 | P559-K561 PolarHBondContact O-N 3.24Å; P559-L562 HydrophobicContact CB-CD1 4.07Å; P559-L562 HydrophobicContact CB-CG 4.27Å; P559-L562 HydrophobicContact CG-CD1 4.21Å; P559-L562 WeakPolarHBondContact O-CB 3.49Å; P559-L562 PolarHBondContact O-N 2.53Å | ||
| 560 | R | 86.4 | Confident | 74.8 | Confident | 67 Ų | 67 | 77.3 Ų | 77.3 | 25% | 0.253 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -40.7 | -34.6 | -179.9 | -176 | -172 | -61.9 | -75.9 | -4.1 | 115 | F558 L562 L563 D647 P649 C651 | F558-R560 PolarHBondContact O-N 2.87Å; R560-L562 PolarHBondContact O-N 3.49Å; R560-L562 VanDerWaalsContact O-N 3.14Å; R560-L563 HydrophobicContact CG-CD1 4.34Å; R560-L563 WeakPolarHBondContact O-CB 3.42Å; R560-L563 PolarHBondContact O-N 2.85Å; R560-L563 VanDerWaalsContact O-N 3.08Å; R560-D647 PolarHBondContact NH2-O 3.18Å; R560-P649 PolarHBondContact NH1-O 2.84Å; R560-P649 PolarHBondContact NH2-O 2.81Å; R560-C651 PolarHBondContact NH1-SG 2.53Å |
| 561 | K | 85.2 | Confident | 76.4 | Confident | 206 Ų | 206 | 76.9 Ų | 76.9 | 90% | 0.896 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -64.6 | -9.3 | 178.5 | -61 | 178.2 | -176.9 | 174.3 | 0 | 114.7 | P559 | P559-K561 PolarHBondContact O-N 3.24Š|
| 562 | L | 86.3 | Confident | 77.5 | Confident | 73 Ų | 73 | 67.6 Ų | 67.6 | 38% | 0.382 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -101.1 | 1.3 | 175.7 | -57.1 | 177 | 0 | 0 | 0 | 112.8 | F558 P559 R560 | F558-L562 HydrophobicContact CE1-CB 3.73Å; F558-L562 HydrophobicContact CZ-CB 3.78Å; F558-L562 HydrophobicContact CZ-CD1 4.38Å; P559-L562 HydrophobicContact CB-CD1 4.07Å; P559-L562 HydrophobicContact CB-CG 4.27Å; P559-L562 HydrophobicContact CG-CD1 4.21Å; P559-L562 WeakPolarHBondContact O-CB 3.49Å; P559-L562 PolarHBondContact O-N 2.53Å; R560-L562 PolarHBondContact O-N 3.49Å; R560-L562 VanDerWaalsContact O-N 3.14Å |
| 563 | L | 88.7 | Confident | 78.5 | Confident | 32 Ų | 32 | 66.4 Ų | 66.4 | 17% | 0.168 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 107.4 | 171.9 | -62.6 | 166 | 0 | 0 | 0 | 109.3 | F558 R560 C580 V582 V607 I653 | F558-L563 HydrophobicContact CD1-CD1 4.49Å; F558-L563 HydrophobicContact CD1-CD2 3.94Å; F558-L563 HydrophobicContact CD1-CG 3.96Å; F558-L563 HydrophobicContact CE1-CD2 3.79Å; F558-L563 HydrophobicContact CE1-CG 3.88Å; R560-L563 HydrophobicContact CG-CD1 4.34Å; R560-L563 WeakPolarHBondContact O-CB 3.42Å; R560-L563 PolarHBondContact O-N 2.85Å; R560-L563 VanDerWaalsContact O-N 3.08Å; L563-C580 HydrophobicContact CD2-CB 4.39Å; L563-V582 HydrophobicContact CD2-CG1 3.43Å; L563-V582 VanDerWaalsContact CD2-CG1 3.43Å; L563-V582 HydrophobicContact CG-CG1 4.44Å; L563-V607 HydrophobicContact CD2-CG2 4.03Å; L563-I653 HydrophobicContact CD1-CD1 4.36Å; L563-I653 HydrophobicContact CD2-CD1 3.8Å; L563-I653 HydrophobicContact CD2-CG1 4.28Å |
| 564 | T | 90.6 | Very high | 79.2 | Confident | 72 Ų | 72 | 64.5 Ų | 64.5 | 44% | 0.442 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 103.8 | 174.4 | -57.5 | 0 | 0 | 0 | 0 | 109.5 | C580 E581 | T564-C580 CarbonylContact O-C 3.56Å; T564-C580 WeakPolarHBondContact O-CA 3.38Å; T564-E581 WeakPolarHBondContact CB-O 3.33Å; T564-E581 PolarHBondContact N-O 2.87Å; T564-E581 PolarHBondContact O-N 3.28Å |
| 565 | F | 91.8 | Very high | 80.1 | Confident | 109 Ų | 109 | 60.6 Ų | 60.6 | 48% | 0.478 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 139.3 | 175.7 | 175.6 | -86.7 | 0 | 0 | 0 | 111.8 | E567 K568 H578 | F565-E567 WeakPolarHBondContact CE2-O 3.48Å; F565-K568 HydrophobicContact CZ-CB 4.36Å; F565-H578 HydrophobicContact CD2-CB 3.77Å; F565-H578 AromaticContact CD2-CG 3.66Å; F565-H578 AromaticContact CD2-ND1 3.53Å; F565-H578 HydrophobicContact CE2-CB 3.83Å; F565-H578 AromaticContact CE2-CD2 3.77Å; F565-H578 AromaticContact CE2-CG 3.5Å; F565-H578 AromaticContact CE2-ND1 3.68Å |
| 566 | K | 90.8 | Very high | 80.9 | Confident | 99 Ų | 99 | 60.7 Ų | 60.7 | 43% | 0.43 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | -54.6 | 173.2 | -61.3 | -68 | -178.1 | 173.1 | 0 | 111.8 | L579 E581 | K566-L579 HydrophobicContact CB-CB 4.39Å; K566-L579 HydrophobicContact CB-CD2 4.34Å; K566-L579 HydrophobicContact CB-CG 4.11Å; K566-L579 WeakPolarHBondContact CB-O 3.43Å; K566-L579 PolarHBondContact N-O 2.7Å; K566-E581 HydrophobicContact CD-CB 4.45Å; K566-E581 WeakPolarHBondContact CE-OE1 3.32Å; K566-E581 WeakPolarHBondContact CE-OE2 3.46Å; K566-E581 HydrophobicContact CG-CB 4.29Å; K566-E581 IonicContact NZ-OE1 3.99Å; K566-E581 PolarHBondContact NZ-OE1 3Å; K566-E581 VanDerWaalsContact NZ-OE1 3.15Å; K566-E581 IonicContact NZ-OE2 3.26Å; K566-E581 PolarHBondContact NZ-OE2 2.9Å |
| 567 | E | 87.5 | Confident | 81.5 | Confident | 83 Ų | 83 | 56 Ų | 56 | 39% | 0.388 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 149.6 | -167.2 | -169.8 | 177.1 | 149.8 | 0 | 0 | 110.1 | F565 H578 L579 | F565-E567 WeakPolarHBondContact CE2-O 3.48Å; E567-H578 CarbonylContact O-C 3.19Å; E567-H578 WeakPolarHBondContact O-CA 3.43Å; E567-L579 HydrophobicContact CB-CB 4.13Å; E567-L579 HydrophobicContact CB-CD2 4.46Å; E567-L579 PolarHBondContact N-O 2.61Å; E567-L579 PolarHBondContact O-N 3.23Å |
| 568 | K | 84.9 | Confident | 81.8 | Confident | 58 Ų | 58 | 53.7 Ų | 53.7 | 25% | 0.252 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 118.9 | 169.9 | 176.2 | 171.1 | 167.5 | 173.3 | 0 | 107.9 | F565 E571 E576 | F565-K568 HydrophobicContact CZ-CB 4.36Å; K568-E571 IonicContact NZ-OE2 2.74Å; K568-E571 PolarHBondContact NZ-OE2 2.85Å; K568-E576 WeakPolarHBondContact CE-OE1 3.42Å; K568-E576 IonicContact NZ-OE1 2.72Å; K568-E576 PolarHBondContact NZ-OE1 2.83Å |
| 569 | L | 78.4 | Confident | 82 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -34.6 | -179.9 | -67.1 | -179.1 | 0 | 0 | 0 | 111.5 | Y521 V577 L579 A606 Y656 | Y521-L569 CarbonylContact C-O 3.59Å; Y521-L569 WeakPolarHBondContact CB-O 3.38Å; Y521-L569 HydrophobicContact CD1-CB 4.24Å; Y521-L569 HydrophobicContact CD1-CD1 4.35Å; Y521-L569 HydrophobicContact CD2-CB 4.28Å; Y521-L569 HydrophobicContact CD2-CD1 4.18Å; Y521-L569 HydrophobicContact CD2-CD2 3.74Å; Y521-L569 HydrophobicContact CD2-CG 4.28Å; Y521-L569 HydrophobicContact CE1-CD1 4.27Å; Y521-L569 HydrophobicContact CE2-CD1 4.13Å; Y521-L569 HydrophobicContact CE2-CD2 4.2Å; Y521-L569 HydrophobicContact CG-CB 3.89Å; Y521-L569 HydrophobicContact CG-CD1 4.32Å; Y521-L569 HydrophobicContact CG-CD2 4.23Å; Y521-L569 HydrophobicContact CG-CG 4.36Å; L569-V577 WeakPolarHBondContact CA-O 3.12Å; L569-V577 HydrophobicContact CB-CB 4.1Å; L569-V577 HydrophobicContact CB-CG1 4.06Å; L569-V577 WeakPolarHBondContact CB-O 3.17Å; L569-V577 HydrophobicContact CD1-CG1 4.15Å; L569-V577 PolarHBondContact N-O 3.12Å; L569-L579 HydrophobicContact CD1-CB 3.94Å; L569-L579 HydrophobicContact CD2-CB 4.03Å; L569-L579 HydrophobicContact CG-CB 3.89Å; L569-A606 HydrophobicContact CD1-CB 4.34Å; L569-Y656 HydrophobicContact CD1-CD2 4.11Å; L569-Y656 HydrophobicContact CD1-CE2 3.9Å; L569-Y656 HydrophobicContact CD2-CE2 4.27Å |
| 570 | G | 72.3 | Confident | 82.3 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.4 | 174.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | A522 E576 V577 | A522-G570 WeakPolarHBondContact O-CA 3.33Å; G570-E576 CarbonylContact O-C 3.56Å; G570-E576 WeakPolarHBondContact O-CA 3.42Å; G570-V577 PolarHBondContact N-O 3.43Å; G570-V577 VanDerWaalsContact N-O 3.16Å; G570-V577 PolarHBondContact O-N 2.89Å |
| 571 | E | 71.7 | Confident | 82.5 | Confident | 31 Ų | 31 | 50.6 Ų | 50.6 | 15% | 0.145 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 128.9 | 178.8 | -175.4 | 167.6 | -178.8 | 0 | 0 | 111.9 | K568 E576 R611 N734 | K568-E571 IonicContact NZ-OE2 2.74Å; K568-E571 PolarHBondContact NZ-OE2 2.85Å; E571-E576 HydrophobicContact CG-CG 4.33Å; E571-R611 IonicContact OE1-CZ 3.41Å; E571-R611 IonicContact OE1-NH1 2.67Å; E571-R611 PolarHBondContact OE1-NH1 2.78Å; E571-N734 PolarHBondContact O-ND2 3.04Å |
| 572 | G | 65.4 | Low | 82.6 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 4% | 0.041 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 170.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F574 G575 | G572-F574 PolarHBondContact O-N 3.48Å; G572-G575 PolarHBondContact N-O 3.28Å; G572-G575 PolarHBondContact O-N 2.04Å; G572-G575 VanDerWaalsContact O-N 3.15Å |
| 573 | Q | 63 | Low | 82.2 | Confident | 93 Ų | 93 | 44 Ų | 44 | 44% | 0.435 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | -25.4 | -171.6 | -170.7 | 179.9 | 0.4 | 0 | 0 | 116.1 | ||
| 574 | F | 65.6 | Low | 81.3 | Confident | 37 Ų | 37 | 44.9 Ų | 44.9 | 16% | 0.162 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.5 | 3 | -176.9 | -53.5 | -70.5 | 0 | 0 | 0 | 114.2 | N536 G572 L610 R611 A618 | N536-F574 HydrophobicContact CB-CD2 4.18Å; N536-F574 HydrophobicContact CB-CE2 4.15Å; G572-F574 PolarHBondContact O-N 3.48Å; F574-L610 HydrophobicContact CB-CD1 4.29Å; F574-L610 WeakPolarHBondContact O-CD1 2.97Å; F574-R611 PolarHBondContact O-N 3.37Å; F574-A618 HydrophobicContact CB-CB 3.93Å; F574-A618 HydrophobicContact CD1-CB 3.73Å; F574-A618 HydrophobicContact CD2-CB 4.14Å; F574-A618 HydrophobicContact CE1-CB 4.28Å; F574-A618 HydrophobicContact CG-CB 3.65Å |
| 575 | G | 76 | Confident | 80.4 | Confident | 9 Ų | 9 | 41.9 Ų | 41.9 | 9% | 0.093 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.8 | 161.3 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | G572 M609 | G572-G575 PolarHBondContact N-O 3.28Å; G572-G575 PolarHBondContact O-N 2.04Å; G572-G575 VanDerWaalsContact O-N 3.15Å; G575-M609 CarbonylContact C-O 3.54Å; G575-M609 WeakPolarHBondContact CA-O 3.27Å |
| 576 | E | 84.2 | Confident | 79.2 | Confident | 45 Ų | 45 | 40.5 Ų | 40.5 | 21% | 0.21 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 159.4 | 177.5 | -60 | -171.6 | 139 | 0 | 0 | 110.6 | K568 G570 E571 H578 K608 M609 | K568-E576 WeakPolarHBondContact CE-OE1 3.42Å; K568-E576 IonicContact NZ-OE1 2.72Å; K568-E576 PolarHBondContact NZ-OE1 2.83Å; G570-E576 CarbonylContact O-C 3.56Å; G570-E576 WeakPolarHBondContact O-CA 3.42Å; E571-E576 HydrophobicContact CG-CG 4.33Å; E576-H578 IonicContact OE2-CD2 2.67Å; E576-H578 IonicContact OE2-CE1 2.71Å; E576-H578 PolarHBondContact OE2-CE1 3.47Å; E576-H578 IonicContact OE2-NE2 3.9Å; E576-H578 PolarHBondContact OE2-NE2 2.84Å; E576-K608 CarbonylContact O-C 3.59Å; E576-K608 WeakPolarHBondContact O-CA 3.46Å; E576-M609 PolarHBondContact N-O 3.24Å; E576-M609 PolarHBondContact O-N 3.4Å |
| 577 | V | 86.4 | Confident | 77.9 | Confident | 13 Ų | 13 | 44.3 Ų | 44.3 | 8% | 0.079 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 129.1 | 165.4 | -168.5 | 0 | 0 | 0 | 0 | 108.5 | L569 G570 A606 V607 K608 M731 | L569-V577 WeakPolarHBondContact CA-O 3.12Å; L569-V577 HydrophobicContact CB-CB 4.1Å; L569-V577 HydrophobicContact CB-CG1 4.06Å; L569-V577 WeakPolarHBondContact CB-O 3.17Å; L569-V577 HydrophobicContact CD1-CG1 4.15Å; L569-V577 PolarHBondContact N-O 3.12Å; G570-V577 PolarHBondContact N-O 3.43Å; G570-V577 VanDerWaalsContact N-O 3.16Å; G570-V577 PolarHBondContact O-N 2.89Å; V577-A606 HydrophobicContact CG1-CB 4.37Å; V577-V607 WeakPolarHBondContact CA-O 3.36Å; V577-K608 HydrophobicContact CG2-CG 4.44Å; V577-M731 HydrophobicContact CG2-CE 3.29Å; V577-M731 HydrophobicContact CG2-SD 3.45Å; V577-M731 WeakPolarHBondContact CG2-SD 3.48Å |
| 578 | H | 89.2 | Confident | 76.7 | Confident | 20 Ų | 20 | 42.2 Ų | 42.2 | 9% | 0.093 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 143.3 | 177.2 | -60.3 | 169.1 | 0 | 0 | 0 | 110.7 | F565 E567 E576 V607 M609 | F565-H578 HydrophobicContact CD2-CB 3.77Å; F565-H578 AromaticContact CD2-CG 3.66Å; F565-H578 AromaticContact CD2-ND1 3.53Å; F565-H578 HydrophobicContact CE2-CB 3.83Å; F565-H578 AromaticContact CE2-CD2 3.77Å; F565-H578 AromaticContact CE2-CG 3.5Å; F565-H578 AromaticContact CE2-ND1 3.68Å; E567-H578 CarbonylContact O-C 3.19Å; E567-H578 WeakPolarHBondContact O-CA 3.43Å; E576-H578 IonicContact OE2-CD2 2.67Å; E576-H578 IonicContact OE2-CE1 2.71Å; E576-H578 PolarHBondContact OE2-CE1 3.47Å; E576-H578 IonicContact OE2-NE2 3.9Å; E576-H578 PolarHBondContact OE2-NE2 2.84Å; H578-V607 PolarHBondContact N-O 3.3Å; H578-V607 PolarHBondContact O-N 2.97Å; H578-M609 VanDerWaalsContact CE1-CE 3.49Å; H578-M609 WeakPolarHBondContact CE1-CE 3.11Å |
| 579 | L | 91.2 | Very high | 75.6 | Confident | 12 Ų | 12 | 42.3 Ų | 42.3 | 6% | 0.063 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 119.6 | 162.3 | 179.3 | 55.6 | 0 | 0 | 0 | 107.6 | K566 E567 L569 L604 Y656 | K566-L579 HydrophobicContact CB-CB 4.39Å; K566-L579 HydrophobicContact CB-CD2 4.34Å; K566-L579 HydrophobicContact CB-CG 4.11Å; K566-L579 WeakPolarHBondContact CB-O 3.43Å; K566-L579 PolarHBondContact N-O 2.7Å; E567-L579 HydrophobicContact CB-CB 4.13Å; E567-L579 HydrophobicContact CB-CD2 4.46Å; E567-L579 PolarHBondContact N-O 2.61Å; E567-L579 PolarHBondContact O-N 3.23Å; L569-L579 HydrophobicContact CD1-CB 3.94Å; L569-L579 HydrophobicContact CD2-CB 4.03Å; L569-L579 HydrophobicContact CG-CB 3.89Å; L579-L604 HydrophobicContact CD1-CB 4.08Å; L579-L604 HydrophobicContact CD1-CD2 4.11Å; L579-L604 HydrophobicContact CD1-CG 4.47Å; L579-L604 HydrophobicContact CG-CD2 4.44Å; L579-Y656 HydrophobicContact CD1-CD1 4Å; L579-Y656 HydrophobicContact CD1-CD2 3.58Å; L579-Y656 HydrophobicContact CD1-CE1 4.16Å; L579-Y656 HydrophobicContact CD1-CE2 3.76Å; L579-Y656 HydrophobicContact CD1-CG 3.7Å; L579-Y656 HydrophobicContact CD2-CE2 4.41Å |
| 580 | C | 91.9 | Very high | 74.5 | Confident | 6 Ų | 6 | 45 Ų | 45 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 150.5 | 175.5 | -67.7 | 0 | 0 | 0 | 0 | 110.9 | L563 T564 L604 V605 V607 | L563-C580 HydrophobicContact CD2-CB 4.39Å; T564-C580 CarbonylContact O-C 3.56Å; T564-C580 WeakPolarHBondContact O-CA 3.38Å; C580-L604 WeakPolarHBondContact O-CA 3.32Å; C580-V605 HydrophobicContact CB-CG2 4.1Å; C580-V605 PolarHBondContact N-O 3.4Å; C580-V605 WeakPolarHBondContact O-CG2 3.45Å; C580-V605 PolarHBondContact O-N 2.93Å; C580-V607 HydrophobicContact CB-CG2 3.64Å |
| 581 | E | 91.3 | Very high | 73.4 | Confident | 54 Ų | 54 | 54.2 Ų | 54.2 | 25% | 0.252 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 129.6 | 169.6 | -179.4 | 179.2 | -104.1 | 0 | 0 | 108.6 | T564 K566 P602 V603 L604 | T564-E581 WeakPolarHBondContact CB-O 3.33Å; T564-E581 PolarHBondContact N-O 2.87Å; T564-E581 PolarHBondContact O-N 3.28Å; K566-E581 HydrophobicContact CD-CB 4.45Å; K566-E581 WeakPolarHBondContact CE-OE1 3.32Å; K566-E581 WeakPolarHBondContact CE-OE2 3.46Å; K566-E581 HydrophobicContact CG-CB 4.29Å; K566-E581 IonicContact NZ-OE1 3.99Å; K566-E581 PolarHBondContact NZ-OE1 3Å; K566-E581 VanDerWaalsContact NZ-OE1 3.15Å; K566-E581 IonicContact NZ-OE2 3.26Å; K566-E581 PolarHBondContact NZ-OE2 2.9Å; E581-P602 HydrophobicContact CG-CB 3.61Å; E581-P602 HydrophobicContact CG-CG 4.25Å; E581-V603 CarbonylContact C-O 3.19Å; E581-V603 WeakPolarHBondContact CA-O 3.4Å; E581-L604 HydrophobicContact CB-CD2 4.27Å |
| 582 | V | 86.8 | Confident | 72.3 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 137 | -178.4 | -69.9 | 0 | 0 | 0 | 0 | 112.8 | F558 L563 M585 V603 V605 | F558-V582 HydrophobicContact CE1-CB 4.46Å; F558-V582 HydrophobicContact CE1-CG1 3.83Å; F558-V582 HydrophobicContact CZ-CB 3.93Å; F558-V582 HydrophobicContact CZ-CG1 3.78Å; L563-V582 HydrophobicContact CD2-CG1 3.43Å; L563-V582 VanDerWaalsContact CD2-CG1 3.43Å; L563-V582 HydrophobicContact CG-CG1 4.44Å; V582-M585 HydrophobicContact CG2-CB 4.05Å; V582-M585 HydrophobicContact CG2-CG 4.18Å; V582-M585 HydrophobicContact CG2-SD 4.22Å; V582-V603 HydrophobicContact CG2-CB 4.01Å; V582-V603 WeakPolarHBondContact CG2-O 3.44Å; V582-V603 PolarHBondContact N-O 2.99Å; V582-V603 PolarHBondContact O-N 3.47Å; V582-V605 HydrophobicContact CG1-CG2 3.75Å; V582-V605 HydrophobicContact CG2-CG1 3.86Å; V582-V605 HydrophobicContact CG2-CG2 3.98Å |
| 583 | E | 78.2 | Confident | 71.7 | Confident | 140 Ų | 140 | 62.1 Ų | 62.1 | 65% | 0.654 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -97.3 | 151 | 168.3 | -65.4 | -171.1 | 171.8 | 0 | 0 | 111.1 | M585 | E583-M585 VanDerWaalsContact C-N 3.28Å; E583-M585 PolarHBondContact O-N 2.9Å |
| 584 | G | 70.7 | Confident | 70.8 | Confident | 49 Ų | 49 | 62.3 Ų | 62.3 | 51% | 0.505 | 32% | 0.323 | S | S | . | . | trans | 75.8 | 7.3 | 172 | 0 | 0 | 0 | 0 | 0 | 116.2 | E586 K587 | G584-E586 PolarHBondContact O-N 3.34Å; G584-K587 PolarHBondContact O-N 2.91Å | ||
| 585 | M | 71.9 | Confident | 70.1 | Confident | 9 Ų | 9 | 63.4 Ų | 63.4 | 4% | 0.044 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -59.6 | -15.5 | -179.6 | -153.4 | 64.4 | -177.3 | 0 | 0 | 113.9 | F558 V582 E583 K587 F588 K589 L641 A642 I653 | F558-M585 HydrophobicContact CD2-CE 4.49Å; F558-M585 HydrophobicContact CD2-SD 3.82Å; F558-M585 HydrophobicContact CE2-SD 3.46Å; F558-M585 WeakPolarHBondContact CE2-SD 3.17Å; F558-M585 HydrophobicContact CZ-SD 4.29Å; V582-M585 HydrophobicContact CG2-CB 4.05Å; V582-M585 HydrophobicContact CG2-CG 4.18Å; V582-M585 HydrophobicContact CG2-SD 4.22Å; E583-M585 VanDerWaalsContact C-N 3.28Å; E583-M585 PolarHBondContact O-N 2.9Å; M585-K587 PolarHBondContact O-N 3.31Å; M585-F588 HydrophobicContact CE-CB 3.84Å; M585-F588 HydrophobicContact CE-CG 4.32Å; M585-F588 HydrophobicContact CG-CB 4.5Å; M585-F588 PolarHBondContact O-N 3.11Å; M585-F588 HydrophobicContact SD-CB 4.05Å; M585-F588 HydrophobicContact SD-CD2 4Å; M585-F588 HydrophobicContact SD-CG 4.18Å; M585-K589 PolarHBondContact O-N 2.96Å; M585-L641 HydrophobicContact CE-CB 3.53Å; M585-L641 HydrophobicContact CE-CD1 4.29Å; M585-A642 HydrophobicContact CE-CB 3.99Å; M585-I653 HydrophobicContact CE-CG2 4.5Å |
| 586 | E | 66.1 | Low | 68.7 | Low | 81 Ų | 81 | 71.2 Ų | 71.2 | 38% | 0.379 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -41.2 | -35.8 | 170.6 | -65.3 | -60.4 | 146.8 | 0 | 0 | 115 | G584 K589 | G584-E586 PolarHBondContact O-N 3.34Å; E586-K589 IonicContact OE1-NZ 3.54Å; E586-K589 PolarHBondContact OE1-NZ 2.88Å; E586-K589 WeakPolarHBondContact OE2-CE 3.18Å; E586-K589 IonicContact OE2-NZ 3.76Å; E586-K589 PolarHBondContact OE2-NZ 3.28Å |
| 587 | K | 62.4 | Low | 67.1 | Low | 179 Ų | 179 | 70.9 Ų | 70.9 | 78% | 0.778 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -76.1 | -28.5 | -178.5 | -65.5 | 178.3 | -178.4 | 174.1 | 0 | 113.6 | G584 M585 | G584-K587 PolarHBondContact O-N 2.91Å; M585-K587 PolarHBondContact O-N 3.31Å |
| 588 | F | 63.3 | Low | 65.4 | Low | 39 Ų | 39 | 74.2 Ų | 74.2 | 17% | 0.171 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -94 | 2.3 | -175.8 | -56 | -94.7 | 0 | 0 | 0 | 111.8 | E556 F558 M585 D590 A642 | E556-F588 HydrophobicContact CB-CD1 3.69Å; E556-F588 HydrophobicContact CB-CE1 3.73Å; E556-F588 WeakPolarHBondContact OE2-CD1 3.08Å; F558-F588 HydrophobicContact CD2-CD1 4.47Å; F558-F588 HydrophobicContact CD2-CD2 4.07Å; F558-F588 HydrophobicContact CD2-CE1 4.12Å; F558-F588 AromaticContact CD2-CE2 3.68Å; F558-F588 HydrophobicContact CD2-CE2 3.68Å; F558-F588 HydrophobicContact CD2-CG 4.46Å; F558-F588 AromaticContact CD2-CZ 3.72Å; F558-F588 HydrophobicContact CD2-CZ 3.72Å; F558-F588 HydrophobicContact CE2-CD2 4.14Å; F558-F588 AromaticContact CE2-CE2 3.81Å; F558-F588 HydrophobicContact CE2-CE2 3.81Å; F558-F588 HydrophobicContact CE2-CZ 4.29Å; M585-F588 HydrophobicContact CE-CB 3.84Å; M585-F588 HydrophobicContact CE-CG 4.32Å; M585-F588 HydrophobicContact CG-CB 4.5Å; M585-F588 PolarHBondContact O-N 3.11Å; M585-F588 HydrophobicContact SD-CB 4.05Å; M585-F588 HydrophobicContact SD-CD2 4Å; M585-F588 HydrophobicContact SD-CG 4.18Å; F588-D590 PolarHBondContact O-N 3.3Å; F588-A642 HydrophobicContact CD1-CB 4.26Å |
| 589 | K | 61.5 | Low | 63.5 | Low | 60 Ų | 60 | 77 Ų | 77 | 26% | 0.261 | 42% | 0.421 | S | S | . | . | trans | -71.5 | 110.8 | 175 | -69.6 | -178.5 | -179.1 | 172.6 | 0 | 109.9 | M585 E586 | M585-K589 PolarHBondContact O-N 2.96Å; E586-K589 IonicContact OE1-NZ 3.54Å; E586-K589 PolarHBondContact OE1-NZ 2.88Å; E586-K589 WeakPolarHBondContact OE2-CE 3.18Å; E586-K589 IonicContact OE2-NZ 3.76Å; E586-K589 PolarHBondContact OE2-NZ 3.28Å | ||
| 590 | D | 55.7 | Low | 61.8 | Low | 60 Ų | 60 | 84 Ų | 84 | 32% | 0.321 | 46% | 0.459 | S | S | . | . | trans | -66.8 | 142.3 | 166.4 | -157.4 | -7.6 | 0 | 0 | 0 | 110.1 | F588 D592 F593 K633 | F588-D590 PolarHBondContact O-N 3.3Å; D590-D592 PolarHBondContact O-N 3.09Å; D590-F593 PolarHBondContact O-N 3.49Å; D590-K633 IonicContact OD2-NZ 2.76Å; D590-K633 PolarHBondContact OD2-NZ 3.08Å | ||
| 591 | K | 49.5 | Very low | 60.4 | Low | 197 Ų | 197 | 89.5 Ų | 89.5 | 86% | 0.857 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -20 | -165.3 | -73.5 | -176.7 | 177.6 | 176.6 | 0 | 114.3 | ||
| 592 | D | 48.3 | Very low | 59.4 | Low | 138 Ų | 138 | 89.7 Ų | 89.7 | 74% | 0.738 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -14.2 | -175.8 | -59.7 | -31.9 | 0 | 0 | 0 | 113 | D590 | D590-D592 PolarHBondContact O-N 3.09Š|
| 593 | F | 52.6 | Low | 59.3 | Low | 63 Ų | 63 | 90.4 Ų | 90.4 | 28% | 0.276 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -120.6 | 78.3 | -178 | -72.1 | -80.3 | 0 | 0 | 0 | 111.6 | D590 L595 K633 P635 | D590-F593 PolarHBondContact O-N 3.49Å; F593-L595 PolarHBondContact O-N 2.88Å; F593-K633 HydrophobicContact CE2-CB 4.26Å; F593-P635 HydrophobicContact CE1-CB 4.34Å |
| 594 | A | 43.8 | Very low | 59.8 | Low | 96 Ų | 96 | 87.3 Ų | 87.3 | 79% | 0.793 | 48% | 0.481 | S | S | * | . | trans | -70.3 | 96 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D596 | A594-D596 PolarHBondContact O-N 2.85Š| ||
| 595 | L | 51.7 | Low | 60.8 | Low | 61 Ų | 61 | 85 Ų | 85 | 32% | 0.319 | 46% | 0.457 | S | S | . | . | trans | -60.8 | 116.8 | 156.3 | -73.4 | 171.3 | 0 | 0 | 0 | 108.5 | F593 V597 V603 | F593-L595 PolarHBondContact O-N 2.88Å; L595-V597 HydrophobicContact CB-CG2 4.16Å; L595-V597 PolarHBondContact O-N 3.14Å; L595-V603 HydrophobicContact CD1-CG1 4.47Å | ||
| 596 | D | 46.6 | Very low | 61.7 | Low | 172 Ų | 172 | 84.7 Ų | 84.7 | 92% | 0.92 | 46% | 0.456 | S | S | * | . | trans | -73.5 | 75 | -176.3 | -166.5 | 22.3 | 0 | 0 | 0 | 111 | A594 | A594-D596 PolarHBondContact O-N 2.85Š| ||
| 597 | V | 50.5 | Low | 62.9 | Low | 39 Ų | 39 | 80.9 Ų | 80.9 | 24% | 0.236 | 44% | 0.439 | C | S | . | . | trans | -130.5 | 118.6 | -173.2 | -179.8 | 0 | 0 | 0 | 0 | 108.5 | L595 Q601 V603 | L595-V597 HydrophobicContact CB-CG2 4.16Å; L595-V597 PolarHBondContact O-N 3.14Å; V597-Q601 HydrophobicContact CG1-CB 3.86Å; V597-V603 HydrophobicContact CG1-CG2 3.97Å; V597-V603 HydrophobicContact CG2-CG2 4.23Å | ||
| 598 | S | 50.1 | Low | 64.2 | Low | 82 Ų | 82 | 73.5 Ų | 73.5 | 57% | 0.573 | 41% | 0.407 | S | S | * | . | trans | -68.4 | 136.7 | 171.8 | 41.8 | 0 | 0 | 0 | 0 | 110.9 | N600 Q601 | S598-N600 PolarHBondContact O-N 3.08Å; S598-Q601 WeakPolarHBondContact O-CB 3.44Å; S598-Q601 PolarHBondContact O-N 2.85Å; S598-Q601 VanDerWaalsContact O-N 3.08Å | ||
| 599 | A | 50.1 | Low | 65.4 | Low | 78 Ų | 78 | 73.7 Ų | 73.7 | 65% | 0.645 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 137.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 600 | N | 55.3 | Low | 66.6 | Low | 161 Ų | 161 | 71.4 Ų | 71.4 | 86% | 0.861 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 15.1 | -170.9 | -57.9 | -5.1 | 0 | 0 | 0 | 116.5 | S598 | S598-N600 PolarHBondContact O-N 3.08Š|
| 601 | Q | 63.1 | Low | 67.8 | Low | 121 Ų | 121 | 72.7 Ų | 72.7 | 57% | 0.565 | 40% | 0.399 | S | S | * | . | trans | -88.4 | 138 | 157.8 | -69.3 | -86.1 | -90.9 | 0 | 0 | 110 | V597 S598 | V597-Q601 HydrophobicContact CG1-CB 3.86Å; S598-Q601 WeakPolarHBondContact O-CB 3.44Å; S598-Q601 PolarHBondContact O-N 2.85Å; S598-Q601 VanDerWaalsContact O-N 3.08Å | ||
| 602 | P | 69.2 | Low | 69.2 | Low | 58 Ų | 58 | 67.9 Ų | 67.9 | 38% | 0.377 | 40% | 0.396 | S | S | . | . | trans | -72.6 | 149.9 | 171.2 | 33 | -35.4 | 0 | 0 | 0 | 110.7 | E581 | E581-P602 HydrophobicContact CG-CB 3.61Å; E581-P602 HydrophobicContact CG-CG 4.25Å | ||
| 603 | V | 84.4 | Confident | 70.7 | Confident | 15 Ų | 15 | 66.9 Ų | 66.9 | 9% | 0.091 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 136.3 | -174.3 | -177.4 | 0 | 0 | 0 | 0 | 110.6 | E581 V582 L595 V597 V605 | E581-V603 CarbonylContact C-O 3.19Å; E581-V603 WeakPolarHBondContact CA-O 3.4Å; V582-V603 HydrophobicContact CG2-CB 4.01Å; V582-V603 WeakPolarHBondContact CG2-O 3.44Å; V582-V603 PolarHBondContact N-O 2.99Å; V582-V603 PolarHBondContact O-N 3.47Å; L595-V603 HydrophobicContact CD1-CG1 4.47Å; V597-V603 HydrophobicContact CG1-CG2 3.97Å; V597-V603 HydrophobicContact CG2-CG2 4.23Å; V603-V605 HydrophobicContact CG1-CG1 4.29Å |
| 604 | L | 89.9 | Confident | 71.7 | Confident | 76 Ų | 76 | 65 Ų | 65 | 40% | 0.398 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 131.3 | 170.4 | -66.5 | -179.3 | 0 | 0 | 0 | 110.7 | L579 C580 E581 Y656 | L579-L604 HydrophobicContact CD1-CB 4.08Å; L579-L604 HydrophobicContact CD1-CD2 4.11Å; L579-L604 HydrophobicContact CD1-CG 4.47Å; L579-L604 HydrophobicContact CG-CD2 4.44Å; C580-L604 WeakPolarHBondContact O-CA 3.32Å; E581-L604 HydrophobicContact CB-CD2 4.27Å; L604-Y656 HydrophobicContact CB-CD1 3.95Å; L604-Y656 HydrophobicContact CB-CG 4.31Å; L604-Y656 HydrophobicContact CD1-CD1 4.13Å; L604-Y656 HydrophobicContact CD1-CE1 4.25Å; L604-Y656 WeakPolarHBondContact O-CB 2.99Å |
| 605 | V | 91.4 | Very high | 73.2 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 146.7 | -179.9 | -68 | 0 | 0 | 0 | 0 | 110.8 | C580 V582 V603 V607 L641 I653 T654 | C580-V605 HydrophobicContact CB-CG2 4.1Å; C580-V605 PolarHBondContact N-O 3.4Å; C580-V605 WeakPolarHBondContact O-CG2 3.45Å; C580-V605 PolarHBondContact O-N 2.93Å; V582-V605 HydrophobicContact CG1-CG2 3.75Å; V582-V605 HydrophobicContact CG2-CG1 3.86Å; V582-V605 HydrophobicContact CG2-CG2 3.98Å; V603-V605 HydrophobicContact CG1-CG1 4.29Å; V605-V607 HydrophobicContact CG2-CG2 3.97Å; V605-L641 HydrophobicContact CG1-CD1 3.84Å; V605-I653 HydrophobicContact CB-CG2 3.79Å; V605-I653 HydrophobicContact CG1-CG2 4.07Å; V605-I653 HydrophobicContact CG2-CG2 3.83Å; V605-T654 WeakPolarHBondContact CA-O 3.18Å; V605-T654 WeakPolarHBondContact CB-O 3.27Å |
| 606 | A | 90.9 | Very high | 74.5 | Confident | 3 Ų | 3 | 69.6 Ų | 69.6 | 3% | 0.025 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 121.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | L569 V577 T654 | L569-A606 HydrophobicContact CD1-CB 4.34Å; V577-A606 HydrophobicContact CG1-CB 4.37Å; A606-T654 PolarHBondContact N-O 2.86Å; A606-T654 PolarHBondContact O-N 2.8Å; A606-T654 PolarHBondContact O-OG1 3.06Å |
| 607 | V | 90.9 | Very high | 75.7 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.006 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 107.8 | -175.1 | -172.1 | 0 | 0 | 0 | 0 | 109.5 | L563 V577 H578 C580 V605 M609 C651 M652 I653 | L563-V607 HydrophobicContact CD2-CG2 4.03Å; V577-V607 WeakPolarHBondContact CA-O 3.36Å; H578-V607 PolarHBondContact N-O 3.3Å; H578-V607 PolarHBondContact O-N 2.97Å; C580-V607 HydrophobicContact CB-CG2 3.64Å; V605-V607 HydrophobicContact CG2-CG2 3.97Å; V607-M609 HydrophobicContact CG1-CG 4.08Å; V607-C651 HydrophobicContact CG1-CB 4.02Å; V607-M652 CarbonylContact C-O 3.59Å; V607-M652 WeakPolarHBondContact CA-O 3.12Å; V607-I653 HydrophobicContact CG1-CG1 4.27Å; V607-I653 HydrophobicContact CG2-CG1 4.3Å; V607-I653 HydrophobicContact CG2-CG2 4.47Å |
| 608 | K | 88.9 | Confident | 76.7 | Confident | 24 Ų | 24 | 64.6 Ų | 64.6 | 10% | 0.104 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 123.4 | 171.2 | -164.5 | -172.3 | -170.4 | -178.4 | 0 | 108 | E576 V577 F622 E625 C651 M652 M731 | E576-K608 CarbonylContact O-C 3.59Å; E576-K608 WeakPolarHBondContact O-CA 3.46Å; V577-K608 HydrophobicContact CG2-CG 4.44Å; K608-F622 HydrophobicContact CD-CE2 3.97Å; K608-F622 HydrophobicContact CG-CE2 4.04Å; K608-E625 IonicContact NZ-OE1 2.7Å; K608-E625 PolarHBondContact NZ-OE1 2.99Å; K608-E625 IonicContact NZ-OE2 3.62Å; K608-E625 PolarHBondContact NZ-OE2 3.38Å; K608-C651 CarbonylContact O-C 3.57Å; K608-C651 WeakPolarHBondContact O-CA 3.38Å; K608-M652 HydrophobicContact CB-CB 4.31Å; K608-M652 PolarHBondContact N-O 3.38Å; K608-M652 PolarHBondContact O-N 3.23Å; K608-M731 HydrophobicContact CD-CE 4.23Å; K608-M731 HydrophobicContact CD-SD 4.39Å; K608-M731 VanDerWaalsContact CE-SD 3.6Å; K608-M731 HydrophobicContact CG-CE 4.33Å; K608-M731 HydrophobicContact CG-SD 4.2Å |
| 609 | M | 88.4 | Confident | 78.2 | Confident | 43 Ų | 43 | 64.5 Ų | 64.5 | 21% | 0.212 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 133.5 | 178.1 | -49.8 | -146.9 | -48.4 | 0 | 0 | 111 | G575 E576 H578 V607 P649 L650 C651 | G575-M609 CarbonylContact C-O 3.54Å; G575-M609 WeakPolarHBondContact CA-O 3.27Å; E576-M609 PolarHBondContact N-O 3.24Å; E576-M609 PolarHBondContact O-N 3.4Å; H578-M609 VanDerWaalsContact CE1-CE 3.49Å; H578-M609 WeakPolarHBondContact CE1-CE 3.11Å; V607-M609 HydrophobicContact CG1-CG 4.08Å; M609-P649 HydrophobicContact CE-CG 4.22Å; M609-P649 HydrophobicContact SD-CG 4.48Å; M609-L650 WeakPolarHBondContact CA-O 3.48Å; M609-C651 VanDerWaalsContact CG-SG 3.59Å; M609-C651 PolarHBondContact SD-SG 2.72Å |
| 610 | L | 86.9 | Confident | 79.5 | Confident | 11 Ų | 11 | 64.8 Ų | 64.8 | 6% | 0.058 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 134.5 | 169.2 | -169.7 | 76.4 | 0 | 0 | 0 | 109.7 | F574 A614 A618 R619 F622 P649 L650 | F574-L610 HydrophobicContact CB-CD1 4.29Å; F574-L610 WeakPolarHBondContact O-CD1 2.97Å; L610-A614 HydrophobicContact CD1-CB 3.85Å; L610-A614 HydrophobicContact CD2-CB 4.07Å; L610-A614 HydrophobicContact CG-CB 3.72Å; L610-A618 HydrophobicContact CD1-CB 4.5Å; L610-R619 HydrophobicContact CD2-CB 3.93Å; L610-R619 HydrophobicContact CD2-CG 3.92Å; L610-F622 HydrophobicContact CB-CD1 4.49Å; L610-F622 HydrophobicContact CB-CD2 4.2Å; L610-F622 HydrophobicContact CB-CE2 4.24Å; L610-F622 HydrophobicContact CB-CG 4.32Å; L610-F622 HydrophobicContact CB-CZ 4.4Å; L610-F622 HydrophobicContact CD1-CB 4.17Å; L610-F622 HydrophobicContact CD1-CD2 4.09Å; L610-F622 HydrophobicContact CD1-CG 4.26Å; L610-P649 WeakPolarHBondContact O-CB 3.02Å; L610-L650 HydrophobicContact CB-CB 4.11Å; L610-L650 HydrophobicContact CD2-CB 4.49Å; L610-L650 HydrophobicContact CD2-CD1 4.1Å; L610-L650 HydrophobicContact CD2-CG 4.47Å; L610-L650 PolarHBondContact N-O 3.5Å |
| 611 | R | 82.1 | Confident | 80.4 | Confident | 88 Ų | 88 | 57.9 Ų | 57.9 | 33% | 0.332 | 30% | 0.304 | S | S | . | . | trans | -67.8 | 150 | 178.1 | -57.9 | 167 | 66.2 | 112.2 | -3.6 | 111.3 | E571 F574 D613 A614 | E571-R611 IonicContact OE1-CZ 3.41Å; E571-R611 IonicContact OE1-NH1 2.67Å; E571-R611 PolarHBondContact OE1-NH1 2.78Å; F574-R611 PolarHBondContact O-N 3.37Å; R611-D613 WeakPolarHBondContact CB-OD1 3.35Å; R611-D613 IonicContact NE-OD1 2.81Å; R611-D613 PolarHBondContact NE-OD1 2.89Å; R611-D613 IonicContact NE-OD2 3.59Å; R611-D613 IonicContact NH2-OD2 3.78Å; R611-D613 PolarHBondContact NH2-OD2 3.46Å; R611-D613 PolarHBondContact O-N 3.49Å; R611-A614 WeakPolarHBondContact O-CB 3.39Å; R611-A614 PolarHBondContact O-N 2.9Å; R611-A614 VanDerWaalsContact O-N 3.11Å | ||
| 612 | A | 79 | Confident | 81.3 | Confident | 95 Ų | 95 | 52.6 Ų | 52.6 | 79% | 0.785 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -18.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 613 | D | 77.9 | Confident | 81.9 | Confident | 117 Ų | 117 | 52.9 Ų | 52.9 | 63% | 0.626 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 0.4 | 173.4 | 57.5 | -7.6 | 0 | 0 | 0 | 113.4 | R611 | R611-D613 WeakPolarHBondContact CB-OD1 3.35Å; R611-D613 IonicContact NE-OD1 2.81Å; R611-D613 PolarHBondContact NE-OD1 2.89Å; R611-D613 IonicContact NE-OD2 3.59Å; R611-D613 IonicContact NH2-OD2 3.78Å; R611-D613 PolarHBondContact NH2-OD2 3.46Å; R611-D613 PolarHBondContact O-N 3.49Å |
| 614 | A | 75.1 | Confident | 81.7 | Confident | 24 Ų | 24 | 57.4 Ų | 57.4 | 20% | 0.198 | 30% | 0.296 | C | S | . | . | trans | -65 | 135.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L610 R611 A618 | L610-A614 HydrophobicContact CD1-CB 3.85Å; L610-A614 HydrophobicContact CD2-CB 4.07Å; L610-A614 HydrophobicContact CG-CB 3.72Å; R611-A614 WeakPolarHBondContact O-CB 3.39Å; R611-A614 PolarHBondContact O-N 2.9Å; R611-A614 VanDerWaalsContact O-N 3.11Å; A614-A618 HydrophobicContact CB-CB 4.31Å | ||
| 615 | N | 75.1 | Confident | 81.3 | Confident | 82 Ų | 82 | 54.7 Ų | 54.7 | 44% | 0.439 | 28% | 0.281 | S | S | . | . | trans | -70 | 165 | -178.9 | 71.2 | 52.6 | 0 | 0 | 0 | 112.6 | N617 A618 R619 | N615-N617 PolarHBondContact O-N 2.92Å; N615-N617 VanDerWaalsContact O-N 3.16Å; N615-N617 WeakPolarHBondContact OD1-CA 3.48Å; N615-N617 WeakPolarHBondContact OD1-CB 3.32Å; N615-N617 PolarHBondContact OD1-N 3.43Å; N615-A618 PolarHBondContact O-N 3.21Å; N615-A618 PolarHBondContact OD1-N 3.45Å; N615-R619 PolarHBondContact O-N 2.76Å | ||
| 616 | K | 78.2 | Confident | 80.9 | Confident | 172 Ų | 172 | 55.2 Ų | 55.2 | 75% | 0.748 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -58.1 | -30.3 | -178 | -68.9 | -175.9 | 177.7 | -179.5 | 0 | 113.8 | N620 | K616-N620 WeakPolarHBondContact O-CB 3.49Å; K616-N620 PolarHBondContact O-N 3.45Å; K616-N620 PolarHBondContact O-ND2 2.89Å |
| 617 | N | 72.8 | Confident | 80.5 | Confident | 99 Ų | 99 | 59 Ų | 59 | 53% | 0.529 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -72.5 | -46.8 | 179.4 | -62.1 | -0.7 | 0 | 0 | 0 | 110.1 | N615 R619 N620 D621 | N615-N617 PolarHBondContact O-N 2.92Å; N615-N617 VanDerWaalsContact O-N 3.16Å; N615-N617 WeakPolarHBondContact OD1-CA 3.48Å; N615-N617 WeakPolarHBondContact OD1-CB 3.32Å; N615-N617 PolarHBondContact OD1-N 3.43Å; N617-R619 VanDerWaalsContact C-N 3.29Å; N617-R619 PolarHBondContact O-N 2.86Å; N617-N620 PolarHBondContact O-N 3.2Å; N617-N620 VanDerWaalsContact O-N 3.15Å; N617-D621 WeakPolarHBondContact O-CB 3.28Å; N617-D621 PolarHBondContact O-N 2.93Å |
| 618 | A | 70.4 | Confident | 80.1 | Confident | 7 Ų | 7 | 60.2 Ų | 60.2 | 6% | 0.058 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.4 | -38.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F574 L610 A614 N615 D621 F622 | F574-A618 HydrophobicContact CB-CB 3.93Å; F574-A618 HydrophobicContact CD1-CB 3.73Å; F574-A618 HydrophobicContact CD2-CB 4.14Å; F574-A618 HydrophobicContact CE1-CB 4.28Å; F574-A618 HydrophobicContact CG-CB 3.65Å; L610-A618 HydrophobicContact CD1-CB 4.5Å; A614-A618 HydrophobicContact CB-CB 4.31Å; N615-A618 PolarHBondContact O-N 3.21Å; N615-A618 PolarHBondContact OD1-N 3.45Å; A618-D621 PolarHBondContact O-N 2.85Å; A618-F622 WeakPolarHBondContact O-CB 3.48Å; A618-F622 PolarHBondContact O-N 3.3Å |
| 619 | R | 81.4 | Confident | 79.8 | Confident | 80 Ų | 80 | 59.9 Ų | 59.9 | 30% | 0.302 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.6 | -45.8 | 172.9 | -165.4 | -169.7 | -173.1 | 91 | 4.3 | 112.4 | L610 N615 N617 F622 L623 D648 L650 | L610-R619 HydrophobicContact CD2-CB 3.93Å; L610-R619 HydrophobicContact CD2-CG 3.92Å; N615-R619 PolarHBondContact O-N 2.76Å; N617-R619 VanDerWaalsContact C-N 3.29Å; N617-R619 PolarHBondContact O-N 2.86Å; R619-F622 PolarHBondContact O-N 2.95Å; R619-L623 WeakPolarHBondContact O-CG 3.34Å; R619-L623 PolarHBondContact O-N 3.2Å; R619-L623 VanDerWaalsContact O-N 3.12Å; R619-D648 IonicContact CZ-OD1 2.78Å; R619-D648 VanDerWaalsContact CZ-OD1 3.22Å; R619-D648 IonicContact CZ-OD2 3.34Å; R619-D648 IonicContact NH1-OD1 3.6Å; R619-D648 PolarHBondContact NH1-OD1 2.7Å; R619-D648 IonicContact NH1-OD2 3.41Å; R619-D648 PolarHBondContact NH1-OD2 2.88Å; R619-D648 IonicContact NH2-OD1 3.56Å; R619-D648 PolarHBondContact NH2-OD1 3.28Å; R619-D648 IonicContact NH2-OD2 3.58Å; R619-D648 PolarHBondContact NH2-OD2 3.41Å; R619-L650 HydrophobicContact CG-CD1 3.61Å |
| 620 | N | 78.4 | Confident | 79.6 | Confident | 83 Ų | 83 | 58.5 Ų | 58.5 | 44% | 0.444 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.9 | -39 | 177.8 | -72.2 | -15.2 | 0 | 0 | 0 | 111.8 | K616 N617 L623 K624 | K616-N620 WeakPolarHBondContact O-CB 3.49Å; K616-N620 PolarHBondContact O-N 3.45Å; K616-N620 PolarHBondContact O-ND2 2.89Å; N617-N620 PolarHBondContact O-N 3.2Å; N617-N620 VanDerWaalsContact O-N 3.15Å; N620-L623 PolarHBondContact O-N 3.24Å; N620-K624 WeakPolarHBondContact O-CG 3.31Å; N620-K624 PolarHBondContact O-N 2.93Å |
| 621 | D | 73.3 | Confident | 79.3 | Confident | 16 Ų | 16 | 61.5 Ų | 61.5 | 9% | 0.086 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 176 | -77.4 | -0.9 | 0 | 0 | 0 | 111.7 | G535 N536 T537 N617 A618 L623 K624 E625 | G535-D621 VanDerWaalsContact CA-OD2 3.23Å; G535-D621 WeakPolarHBondContact CA-OD2 3.5Å; N536-D621 PolarHBondContact N-OD2 2.8Å; T537-D621 WeakPolarHBondContact OG1-CB 3.49Å; T537-D621 PolarHBondContact OG1-O 3.16Å; N617-D621 WeakPolarHBondContact O-CB 3.28Å; N617-D621 PolarHBondContact O-N 2.93Å; A618-D621 PolarHBondContact O-N 2.85Å; D621-L623 VanDerWaalsContact C-N 3.33Å; D621-L623 PolarHBondContact O-N 3.19Å; D621-K624 WeakPolarHBondContact O-CB 3.21Å; D621-K624 PolarHBondContact O-N 2.77Å; D621-K624 IonicContact OD1-NZ 3.7Å; D621-K624 PolarHBondContact OD1-NZ 2.92Å; D621-E625 PolarHBondContact O-N 3.42Å |
| 622 | F | 82.1 | Confident | 79.5 | Confident | 10 Ų | 10 | 58.1 Ų | 58.1 | 4% | 0.044 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.9 | -38.8 | 173.5 | -166.3 | -93 | 0 | 0 | 0 | 112.6 | K608 L610 A618 R619 E625 I626 L650 M652 | K608-F622 HydrophobicContact CD-CE2 3.97Å; K608-F622 HydrophobicContact CG-CE2 4.04Å; L610-F622 HydrophobicContact CB-CD1 4.49Å; L610-F622 HydrophobicContact CB-CD2 4.2Å; L610-F622 HydrophobicContact CB-CE2 4.24Å; L610-F622 HydrophobicContact CB-CG 4.32Å; L610-F622 HydrophobicContact CB-CZ 4.4Å; L610-F622 HydrophobicContact CD1-CB 4.17Å; L610-F622 HydrophobicContact CD1-CD2 4.09Å; L610-F622 HydrophobicContact CD1-CG 4.26Å; A618-F622 WeakPolarHBondContact O-CB 3.48Å; A618-F622 PolarHBondContact O-N 3.3Å; R619-F622 PolarHBondContact O-N 2.95Å; F622-E625 WeakPolarHBondContact O-CB 3.42Å; F622-E625 PolarHBondContact O-N 3.48Å; F622-I626 HydrophobicContact CD1-CD1 3.84Å; F622-I626 HydrophobicContact CE1-CD1 3.71Å; F622-I626 WeakPolarHBondContact O-CG1 3.5Å; F622-I626 PolarHBondContact O-N 3.18Å; F622-L650 HydrophobicContact CD1-CB 3.87Å; F622-L650 HydrophobicContact CD1-CD1 4.11Å; F622-L650 HydrophobicContact CE1-CB 3.66Å; F622-M652 HydrophobicContact CE1-CB 4.47Å; F622-M652 HydrophobicContact CZ-CB 4.04Å |
| 623 | L | 83.3 | Confident | 79.9 | Confident | 64 Ų | 64 | 57.8 Ų | 57.8 | 34% | 0.335 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -71.2 | -32.9 | 175.4 | -68.9 | 170.3 | 0 | 0 | 0 | 112.8 | R619 N620 D621 K627 I645 L650 | R619-L623 WeakPolarHBondContact O-CG 3.34Å; R619-L623 PolarHBondContact O-N 3.2Å; R619-L623 VanDerWaalsContact O-N 3.12Å; N620-L623 PolarHBondContact O-N 3.24Å; D621-L623 VanDerWaalsContact C-N 3.33Å; D621-L623 PolarHBondContact O-N 3.19Å; L623-K627 PolarHBondContact O-N 3.44Å; L623-K627 VanDerWaalsContact O-N 3.1Å; L623-I645 HydrophobicContact CD2-CG2 4.16Å; L623-L650 HydrophobicContact CD1-CD1 4.48Å; L623-L650 HydrophobicContact CD2-CD1 4.06Å; L623-L650 HydrophobicContact CG-CD1 4.11Å |
| 624 | K | 79.6 | Confident | 80.6 | Confident | 110 Ų | 110 | 53.3 Ų | 53.3 | 48% | 0.478 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 169.6 | -66.6 | 166.2 | -158.4 | 163.7 | 0 | 110.9 | N620 D621 I626 K627 I628 | N620-K624 WeakPolarHBondContact O-CG 3.31Å; N620-K624 PolarHBondContact O-N 2.93Å; D621-K624 WeakPolarHBondContact O-CB 3.21Å; D621-K624 PolarHBondContact O-N 2.77Å; D621-K624 IonicContact OD1-NZ 3.7Å; D621-K624 PolarHBondContact OD1-NZ 2.92Å; K624-I626 VanDerWaalsContact C-N 3.34Å; K624-I626 PolarHBondContact O-N 3.46Å; K624-K627 CarbonylContact O-C 3.44Å; K624-K627 PolarHBondContact O-N 3.23Å; K624-I628 WeakPolarHBondContact O-CG1 3.47Å; K624-I628 PolarHBondContact O-N 3.47Å |
| 625 | E | 81.4 | Confident | 81.4 | Confident | 20 Ų | 20 | 55.4 Ų | 55.4 | 9% | 0.093 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.9 | -47.1 | 178.1 | -159.5 | -170 | 145.8 | 0 | 0 | 111 | K608 D621 F622 K627 I628 M629 M652 | K608-E625 IonicContact NZ-OE1 2.7Å; K608-E625 PolarHBondContact NZ-OE1 2.99Å; K608-E625 IonicContact NZ-OE2 3.62Å; K608-E625 PolarHBondContact NZ-OE2 3.38Å; D621-E625 PolarHBondContact O-N 3.42Å; F622-E625 WeakPolarHBondContact O-CB 3.42Å; F622-E625 PolarHBondContact O-N 3.48Å; E625-K627 PolarHBondContact O-N 2.79Å; E625-I628 PolarHBondContact O-N 3.03Å; E625-M629 HydrophobicContact CG-SD 4.09Å; E625-M629 WeakPolarHBondContact O-CB 3.38Å; E625-M629 WeakPolarHBondContact O-CG 3.4Å; E625-M629 PolarHBondContact O-N 3.26Å; E625-M652 HydrophobicContact CB-CE 4.08Å; E625-M652 HydrophobicContact CG-CE 3.83Å |
| 626 | I | 83.7 | Confident | 82.4 | Confident | 11 Ų | 11 | 52.2 Ų | 52.2 | 6% | 0.056 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57.5 | -45.1 | 171.7 | -73 | 170.4 | 0 | 0 | 0 | 112.3 | F622 K624 I628 M629 S630 L640 V643 I645 M652 | F622-I626 HydrophobicContact CD1-CD1 3.84Å; F622-I626 HydrophobicContact CE1-CD1 3.71Å; F622-I626 WeakPolarHBondContact O-CG1 3.5Å; F622-I626 PolarHBondContact O-N 3.18Å; K624-I626 VanDerWaalsContact C-N 3.34Å; K624-I626 PolarHBondContact O-N 3.46Å; I626-I628 VanDerWaalsContact C-N 3.27Å; I626-I628 PolarHBondContact O-N 3.43Å; I626-M629 PolarHBondContact O-N 2.81Å; I626-S630 WeakPolarHBondContact O-CB 3.38Å; I626-S630 PolarHBondContact O-N 3.31Å; I626-S630 PolarHBondContact O-OG 3.4Å; I626-L640 HydrophobicContact CG2-CD2 4.38Å; I626-V643 HydrophobicContact CD1-CG1 3.96Å; I626-V643 HydrophobicContact CG1-CG1 4.09Å; I626-V643 HydrophobicContact CG2-CG1 3.85Å; I626-I645 HydrophobicContact CD1-CG2 3.84Å; I626-M652 HydrophobicContact CG1-CB 4.37Å; I626-M652 HydrophobicContact CG1-CE 3.67Å; I626-M652 HydrophobicContact CG1-CG 4.36Å |
| 627 | K | 82.4 | Confident | 83.1 | Confident | 82 Ų | 82 | 44.4 Ų | 44.4 | 36% | 0.357 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -71.3 | -19.8 | -180 | -173.4 | 156.5 | 177.7 | 156.5 | 0 | 113.4 | D552 L623 K624 E625 S630 R631 | D552-K627 IonicContact OD1-NZ 3.25Å; D552-K627 PolarHBondContact OD1-NZ 3.02Å; L623-K627 PolarHBondContact O-N 3.44Å; L623-K627 VanDerWaalsContact O-N 3.1Å; K624-K627 CarbonylContact O-C 3.44Å; K624-K627 PolarHBondContact O-N 3.23Å; E625-K627 PolarHBondContact O-N 2.79Å; K627-S630 PolarHBondContact O-OG 3.47Å; K627-R631 WeakPolarHBondContact O-CD 3.37Å |
| 628 | I | 81.4 | Confident | 84 | Confident | 26 Ų | 26 | 40 Ų | 40 | 13% | 0.133 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -79.1 | -57.9 | 168.8 | -70.6 | 166.3 | 0 | 0 | 0 | 109.7 | T537 P541 K624 E625 I626 S630 R631 L632 F706 | T537-I628 HydrophobicContact CG2-CD1 4.46Å; P541-I628 HydrophobicContact CG-CD1 3.93Å; P541-I628 HydrophobicContact CG-CG1 4.27Å; K624-I628 WeakPolarHBondContact O-CG1 3.47Å; K624-I628 PolarHBondContact O-N 3.47Å; E625-I628 PolarHBondContact O-N 3.03Å; I626-I628 VanDerWaalsContact C-N 3.27Å; I626-I628 PolarHBondContact O-N 3.43Å; I628-S630 VanDerWaalsContact C-N 3.29Å; I628-S630 PolarHBondContact O-N 2.96Å; I628-R631 WeakPolarHBondContact O-CB 3.19Å; I628-R631 PolarHBondContact O-N 3.36Å; I628-L632 HydrophobicContact CG2-CD1 4.19Å; I628-F706 HydrophobicContact CG2-CE2 3.54Å; I628-F706 HydrophobicContact CG2-CZ 3.84Å |
| 629 | M | 83.1 | Confident | 84.8 | Confident | 17 Ų | 17 | 40.6 Ų | 40.6 | 8% | 0.084 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65 | -29.2 | -171.7 | -69.6 | 179.4 | 59.3 | 0 | 0 | 113.5 | E625 I626 R631 L632 I638 L640 M652 T654 | E625-M629 HydrophobicContact CG-SD 4.09Å; E625-M629 WeakPolarHBondContact O-CB 3.38Å; E625-M629 WeakPolarHBondContact O-CG 3.4Å; E625-M629 PolarHBondContact O-N 3.26Å; I626-M629 PolarHBondContact O-N 2.81Å; M629-R631 PolarHBondContact O-N 2.96Å; M629-R631 VanDerWaalsContact O-N 3.13Å; M629-L632 PolarHBondContact O-N 2.94Å; M629-L632 VanDerWaalsContact O-N 3.1Å; M629-I638 HydrophobicContact CE-CG2 3.94Å; M629-L640 HydrophobicContact CB-CB 4.1Å; M629-L640 HydrophobicContact CB-CD2 4.19Å; M629-M652 HydrophobicContact CE-SD 3.64Å; M629-M652 HydrophobicContact SD-CE 3.64Å; M629-M652 HydrophobicContact SD-SD 3.53Å; M629-T654 HydrophobicContact CE-CG2 3.84Å |
| 630 | S | 83.2 | Confident | 85.1 | Confident | 14 Ų | 14 | 37.3 Ų | 37.3 | 10% | 0.098 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -17.7 | 172.6 | 58.6 | 0 | 0 | 0 | 0 | 114.8 | I626 K627 I628 | I626-S630 WeakPolarHBondContact O-CB 3.38Å; I626-S630 PolarHBondContact O-N 3.31Å; I626-S630 PolarHBondContact O-OG 3.4Å; K627-S630 PolarHBondContact O-OG 3.47Å; I628-S630 VanDerWaalsContact C-N 3.29Å; I628-S630 PolarHBondContact O-N 2.96Å |
| 631 | R | 81.4 | Confident | 85.6 | Confident | 75 Ų | 75 | 34.7 Ų | 34.7 | 28% | 0.283 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -10.2 | 178.7 | -59.4 | 176.9 | 170.4 | -134.2 | -7 | 112.9 | L547 K627 I628 M629 | L547-R631 PolarHBondContact O-NH1 3.09Å; K627-R631 WeakPolarHBondContact O-CD 3.37Å; I628-R631 WeakPolarHBondContact O-CB 3.19Å; I628-R631 PolarHBondContact O-N 3.36Å; M629-R631 PolarHBondContact O-N 2.96Å; M629-R631 VanDerWaalsContact O-N 3.13Å |
| 632 | L | 86.1 | Confident | 86.2 | Confident | 16 Ų | 16 | 33.9 Ų | 33.9 | 8% | 0.084 | 16% | 0.164 | C | C | . | . | trans | -93.1 | 115.9 | -177.7 | -56.8 | -178.8 | 0 | 0 | 0 | 110.4 | I628 M629 I637 H639 Y700 L701 L704 | I628-L632 HydrophobicContact CG2-CD1 4.19Å; M629-L632 PolarHBondContact O-N 2.94Å; M629-L632 VanDerWaalsContact O-N 3.1Å; L632-I637 HydrophobicContact CB-CG2 4.04Å; L632-I637 HydrophobicContact CD1-CG2 4.1Å; L632-H639 PolarHBondContact O-ND1 3.43Å; L632-Y700 HydrophobicContact CD2-CE1 4.15Å; L632-L701 HydrophobicContact CD1-CD2 4.27Å; L632-L701 HydrophobicContact CD2-CD2 3.83Å; L632-L704 HydrophobicContact CD2-CD1 3.86Å | ||
| 633 | K | 87.6 | Confident | 86.7 | Confident | 88 Ų | 88 | 33.5 Ų | 33.5 | 38% | 0.383 | 16% | 0.162 | S | C | . | . | trans | -140.3 | 90 | -177.5 | -63.3 | -165.3 | 179.5 | -167.9 | 0 | 110 | D590 F593 Y700 | D590-K633 IonicContact OD2-NZ 2.76Å; D590-K633 PolarHBondContact OD2-NZ 3.08Å; F593-K633 HydrophobicContact CE2-CB 4.26Å; K633-Y700 PolarHBondContact N-OH 3.25Å; K633-Y700 WeakPolarHBondContact O-CE2 3.33Å; K633-Y700 PolarHBondContact O-OH 3.26Å | ||
| 634 | D | 91.9 | Very high | 87 | Confident | 23 Ų | 23 | 30.5 Ų | 30.5 | 12% | 0.123 | 15% | 0.147 | C | C | . | . | trans | -151.5 | 142.9 | 178.2 | -179.7 | -86.6 | 0 | 0 | 0 | 109.2 | N636 I637 Y700 | D634-N636 PolarHBondContact O-N 2.92Å; D634-N636 VanDerWaalsContact O-N 3.15Å; D634-N636 WeakPolarHBondContact OD1-CA 3.39Å; D634-N636 PolarHBondContact OD1-N 3.17Å; D634-I637 HydrophobicContact CB-CB 4.28Å; D634-I637 HydrophobicContact CB-CG1 3.95Å; D634-I637 PolarHBondContact O-N 2.87Å; D634-Y700 HydrophobicContact CB-CD1 3.59Å; D634-Y700 HydrophobicContact CB-CD2 3.75Å; D634-Y700 HydrophobicContact CB-CE1 3.88Å; D634-Y700 HydrophobicContact CB-CE2 4.02Å; D634-Y700 HydrophobicContact CB-CG 3.51Å; D634-Y700 WeakPolarHBondContact OD2-CB 3.29Å | ||
| 635 | P | 92.4 | Very high | 87.4 | Confident | 69 Ų | 69 | 28.8 Ų | 28.8 | 45% | 0.448 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -23.9 | -179.4 | 23.7 | -36 | 0 | 0 | 0 | 114.5 | F593 K725 | F593-P635 HydrophobicContact CE1-CB 4.34Å; P635-K725 WeakPolarHBondContact O-CE 3.36Å; P635-K725 WeakPolarHBondContact O-CG 3.47Å; P635-K725 PolarHBondContact O-NZ 3.31Å |
| 636 | N | 95.8 | Very high | 87.5 | Confident | 15 Ų | 15 | 33 Ų | 33 | 8% | 0.08 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 15.1 | -178.9 | -60.6 | 125.6 | 0 | 0 | 0 | 113.9 | D634 Q693 S696 I724 K725 I726 | D634-N636 PolarHBondContact O-N 2.92Å; D634-N636 VanDerWaalsContact O-N 3.15Å; D634-N636 WeakPolarHBondContact OD1-CA 3.39Å; D634-N636 PolarHBondContact OD1-N 3.17Å; N636-Q693 VanDerWaalsContact CB-O 3.31Å; N636-Q693 WeakPolarHBondContact CB-O 3.35Å; N636-Q693 WeakPolarHBondContact ND2-CB 3.49Å; N636-Q693 WeakPolarHBondContact ND2-CG 3.3Å; N636-Q693 PolarHBondContact ND2-OE1 3.25Å; N636-S696 WeakPolarHBondContact OD1-CB 3.25Å; N636-I724 WeakPolarHBondContact CA-O 3.45Å; N636-I724 PolarHBondContact ND2-O 2.86Å; N636-K725 WeakPolarHBondContact O-CA 3.43Å; N636-I726 PolarHBondContact O-N 3.46Å |
| 637 | I | 93.3 | Very high | 87.4 | Confident | 7 Ų | 7 | 38.1 Ų | 38.1 | 4% | 0.036 | 20% | 0.197 | C | C | . | . | B | Isolated β-bridge | trans | -113.4 | 149.4 | 165.2 | -56.9 | -59.7 | 0 | 0 | 0 | 109 | L632 D634 H639 Y700 L701 K725 I726 | L632-I637 HydrophobicContact CB-CG2 4.04Å; L632-I637 HydrophobicContact CD1-CG2 4.1Å; D634-I637 HydrophobicContact CB-CB 4.28Å; D634-I637 HydrophobicContact CB-CG1 3.95Å; D634-I637 PolarHBondContact O-N 2.87Å; I637-H639 PolarHBondContact O-N 3.15Å; I637-Y700 HydrophobicContact CG1-CD1 3.99Å; I637-L701 HydrophobicContact CD1-CD1 3.82Å; I637-L701 HydrophobicContact CD1-CD2 4.12Å; I637-L701 HydrophobicContact CD1-CG 3.8Å; I637-L701 HydrophobicContact CG1-CD2 4.36Å; I637-L701 HydrophobicContact CG1-CG 4.43Å; I637-K725 PolarHBondContact O-NZ 2.82Å; I637-I726 HydrophobicContact CD1-CB 3.95Å; I637-I726 HydrophobicContact CD1-CD1 4.19Å; I637-I726 HydrophobicContact CD1-CG1 4.36Å |
| 638 | I | 90.9 | Very high | 87.4 | Confident | 7 Ų | 7 | 38.3 Ų | 38.3 | 4% | 0.036 | 20% | 0.202 | C | C | . | . | trans | -67.3 | 128.5 | 175 | -166.8 | 69.3 | 0 | 0 | 0 | 110.8 | M629 T654 E655 M657 L717 K725 I726 A727 | M629-I638 HydrophobicContact CE-CG2 3.94Å; I638-T654 HydrophobicContact CG1-CG2 4.4Å; I638-E655 HydrophobicContact CD1-CG 3.57Å; I638-M657 HydrophobicContact CD1-CG 4.26Å; I638-L717 HydrophobicContact CD1-CD1 4.24Å; I638-K725 HydrophobicContact CD1-CD 4.48Å; I638-I726 PolarHBondContact N-O 3.37Å; I638-A727 HydrophobicContact CB-CB 3.95Å; I638-A727 HydrophobicContact CG2-CB 3.57Å | ||
| 639 | H | 87.7 | Confident | 87.8 | Confident | 20 Ų | 20 | 39 Ų | 39 | 9% | 0.093 | 21% | 0.208 | C | C | . | . | trans | -96.2 | 130.6 | -173.4 | -167.7 | 42.3 | 0 | 0 | 0 | 112.2 | L632 I637 L641 T654 E655 | L632-H639 PolarHBondContact O-ND1 3.43Å; I637-H639 PolarHBondContact O-N 3.15Å; H639-L641 PolarHBondContact O-N 3.28Å; H639-T654 WeakPolarHBondContact O-CA 3.4Å; H639-E655 WeakPolarHBondContact CB-OE1 3.38Å; H639-E655 PolarHBondContact N-OE1 3.35Å | ||
| 640 | L | 88.8 | Confident | 88.1 | Confident | 10 Ų | 10 | 38.3 Ų | 38.3 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 110.9 | 169.7 | 179.1 | 59.2 | 0 | 0 | 0 | 109.7 | V555 I626 M629 A642 V643 M652 | V555-L640 HydrophobicContact CG1-CD2 4.26Å; V555-L640 HydrophobicContact CG1-CG 4.48Å; V555-L640 HydrophobicContact CG2-CD2 4.42Å; I626-L640 HydrophobicContact CG2-CD2 4.38Å; M629-L640 HydrophobicContact CB-CB 4.1Å; M629-L640 HydrophobicContact CB-CD2 4.19Å; L640-A642 WeakPolarHBondContact CD1-O 3.35Å; L640-V643 HydrophobicContact CD1-CG1 4.09Å; L640-V643 HydrophobicContact CD2-CG1 4.21Å; L640-M652 HydrophobicContact CD1-CB 4.48Å; L640-M652 HydrophobicContact CD1-CG 3.31Å; L640-M652 HydrophobicContact CD1-SD 4.35Å |
| 641 | L | 87.1 | Confident | 88.4 | Confident | 28 Ų | 28 | 37.6 Ų | 37.6 | 15% | 0.147 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | -45.2 | -178.9 | -56 | 176.7 | 0 | 0 | 0 | 111.8 | M585 V605 H639 I653 E655 | M585-L641 HydrophobicContact CE-CB 3.53Å; M585-L641 HydrophobicContact CE-CD1 4.29Å; V605-L641 HydrophobicContact CG1-CD1 3.84Å; H639-L641 PolarHBondContact O-N 3.28Å; L641-I653 WeakPolarHBondContact CB-O 3.41Å; L641-I653 PolarHBondContact N-O 3.33Å; L641-E655 HydrophobicContact CD1-CB 4.37Å |
| 642 | A | 87.9 | Confident | 88.8 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 177.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | F558 M585 F588 L640 I653 | F558-A642 HydrophobicContact CB-CB 3.85Å; M585-A642 HydrophobicContact CE-CB 3.99Å; F588-A642 HydrophobicContact CD1-CB 4.26Å; L640-A642 WeakPolarHBondContact CD1-O 3.35Å; A642-I653 HydrophobicContact CB-CB 4.5Å; A642-I653 HydrophobicContact CB-CD1 4.24Å; A642-I653 PolarHBondContact N-O 2.76Å; A642-I653 WeakPolarHBondContact O-CB 3.48Å; A642-I653 PolarHBondContact O-N 2.82Å |
| 643 | V | 90.8 | Very high | 89 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 166 | 177.3 | -66.7 | 0 | 0 | 0 | 0 | 112.2 | V555 E556 F558 I626 L640 I645 C651 | V555-V643 HydrophobicContact CB-CG2 4.17Å; V555-V643 HydrophobicContact CG1-CG1 4Å; V555-V643 HydrophobicContact CG1-CG2 3.94Å; E556-V643 PolarHBondContact O-N 3.31Å; F558-V643 PolarHBondContact N-O 3.35Å; I626-V643 HydrophobicContact CD1-CG1 3.96Å; I626-V643 HydrophobicContact CG1-CG1 4.09Å; I626-V643 HydrophobicContact CG2-CG1 3.85Å; L640-V643 HydrophobicContact CD1-CG1 4.09Å; L640-V643 HydrophobicContact CD2-CG1 4.21Å; V643-I645 HydrophobicContact CB-CG2 4.14Å; V643-I645 HydrophobicContact CG2-CD1 4.4Å; V643-I645 HydrophobicContact CG2-CG1 4.13Å; V643-I645 HydrophobicContact CG2-CG2 4.25Å; V643-C651 WeakPolarHBondContact CA-O 3.39Å |
| 644 | C | 90.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 100.6 | 160.2 | -51.2 | 0 | 0 | 0 | 0 | 108.3 | E557 F558 L650 C651 | E557-C644 WeakPolarHBondContact OE2-CA 3.46Å; F558-C644 PolarHBondContact O-SG 2.81Å; C644-L650 WeakPolarHBondContact O-CA 3.5Å; C644-C651 HydrophobicContact CB-CB 3.93Å; C644-C651 PolarHBondContact N-O 3.25Å; C644-C651 PolarHBondContact O-N 2.79Å |
| 645 | I | 87.9 | Confident | 89 | Confident | 74 Ų | 74 | 29.6 Ų | 29.6 | 38% | 0.379 | 17% | 0.166 | S | C | . | . | trans | -120.6 | -6.3 | -175.4 | 58.6 | 168 | 0 | 0 | 0 | 115.2 | E557 L623 I626 V643 L650 | E557-I645 VanDerWaalsContact CD-N 3.33Å; E557-I645 PolarHBondContact OE1-N 3.25Å; E557-I645 WeakPolarHBondContact OE2-CG1 3.31Å; E557-I645 PolarHBondContact OE2-N 3.13Å; L623-I645 HydrophobicContact CD2-CG2 4.16Å; I626-I645 HydrophobicContact CD1-CG2 3.84Å; V643-I645 HydrophobicContact CB-CG2 4.14Å; V643-I645 HydrophobicContact CG2-CD1 4.4Å; V643-I645 HydrophobicContact CG2-CG1 4.13Å; V643-I645 HydrophobicContact CG2-CG2 4.25Å; I645-L650 HydrophobicContact CB-CD2 4.14Å; I645-L650 HydrophobicContact CG2-CD2 4.21Å | ||
| 646 | T | 82.8 | Confident | 88.9 | Confident | 108 Ų | 108 | 28.6 Ų | 28.6 | 66% | 0.663 | 15% | 0.154 | S | C | * | . | S | Bend | trans | -72.7 | -47 | 179.8 | -48.8 | 0 | 0 | 0 | 0 | 112.1 | E557 | E557-T646 VanDerWaalsContact CD-OG1 3.24Å; E557-T646 WeakPolarHBondContact OE1-CB 3.45Å; E557-T646 PolarHBondContact OE1-N 2.96Å; E557-T646 PolarHBondContact OE1-OG1 3.03Å |
| 647 | D | 81.8 | Confident | 88.6 | Confident | 118 Ų | 118 | 28.3 Ų | 28.3 | 63% | 0.631 | 15% | 0.152 | S | C | * | . | S | Bend | trans | -119.8 | 147.9 | -179.7 | -65.2 | -50.3 | 0 | 0 | 0 | 109.9 | R560 | R560-D647 PolarHBondContact NH2-O 3.18Š|
| 648 | D | 84.1 | Confident | 88.3 | Confident | 87 Ų | 87 | 31.8 Ų | 31.8 | 47% | 0.465 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -75.2 | 156.5 | 174.7 | -82.5 | -21.9 | 0 | 0 | 0 | 113.4 | R619 | R619-D648 IonicContact CZ-OD1 2.78Å; R619-D648 VanDerWaalsContact CZ-OD1 3.22Å; R619-D648 IonicContact CZ-OD2 3.34Å; R619-D648 IonicContact NH1-OD1 3.6Å; R619-D648 PolarHBondContact NH1-OD1 2.7Å; R619-D648 IonicContact NH1-OD2 3.41Å; R619-D648 PolarHBondContact NH1-OD2 2.88Å; R619-D648 IonicContact NH2-OD1 3.56Å; R619-D648 PolarHBondContact NH2-OD1 3.28Å; R619-D648 IonicContact NH2-OD2 3.58Å; R619-D648 PolarHBondContact NH2-OD2 3.41Å |
| 649 | P | 88.1 | Confident | 88.3 | Confident | 40 Ų | 40 | 34.2 Ų | 34.2 | 26% | 0.26 | 18% | 0.181 | S | C | . | . | S | Bend | cis | -76.3 | 135.6 | -3.5 | 29 | -33.3 | 0 | 0 | 0 | 112.8 | R560 M609 L610 C651 | R560-P649 PolarHBondContact NH1-O 2.84Å; R560-P649 PolarHBondContact NH2-O 2.81Å; M609-P649 HydrophobicContact CE-CG 4.22Å; M609-P649 HydrophobicContact SD-CG 4.48Å; L610-P649 WeakPolarHBondContact O-CB 3.02Å; P649-C651 PolarHBondContact O-N 3.49Å; P649-C651 PolarHBondContact O-SG 3.02Å |
| 650 | L | 89.8 | Confident | 88.4 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -52.9 | 132.2 | 179.3 | -61.4 | -175.8 | 0 | 0 | 0 | 112 | M609 L610 R619 F622 L623 C644 I645 | M609-L650 WeakPolarHBondContact CA-O 3.48Å; L610-L650 HydrophobicContact CB-CB 4.11Å; L610-L650 HydrophobicContact CD2-CB 4.49Å; L610-L650 HydrophobicContact CD2-CD1 4.1Å; L610-L650 HydrophobicContact CD2-CG 4.47Å; L610-L650 PolarHBondContact N-O 3.5Å; R619-L650 HydrophobicContact CG-CD1 3.61Å; F622-L650 HydrophobicContact CD1-CB 3.87Å; F622-L650 HydrophobicContact CD1-CD1 4.11Å; F622-L650 HydrophobicContact CE1-CB 3.66Å; L623-L650 HydrophobicContact CD1-CD1 4.48Å; L623-L650 HydrophobicContact CD2-CD1 4.06Å; L623-L650 HydrophobicContact CG-CD1 4.11Å; C644-L650 WeakPolarHBondContact O-CA 3.5Å; I645-L650 HydrophobicContact CB-CD2 4.14Å; I645-L650 HydrophobicContact CG2-CD2 4.21Å |
| 651 | C | 90.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 150 | 179 | -63 | 0 | 0 | 0 | 0 | 113.1 | R560 V607 K608 M609 V643 C644 P649 | R560-C651 PolarHBondContact NH1-SG 2.53Å; V607-C651 HydrophobicContact CG1-CB 4.02Å; K608-C651 CarbonylContact O-C 3.57Å; K608-C651 WeakPolarHBondContact O-CA 3.38Å; M609-C651 VanDerWaalsContact CG-SG 3.59Å; M609-C651 PolarHBondContact SD-SG 2.72Å; V643-C651 WeakPolarHBondContact CA-O 3.39Å; C644-C651 HydrophobicContact CB-CB 3.93Å; C644-C651 PolarHBondContact N-O 3.25Å; C644-C651 PolarHBondContact O-N 2.79Å; P649-C651 PolarHBondContact O-N 3.49Å; P649-C651 PolarHBondContact O-SG 3.02Å |
| 652 | M | 89.5 | Confident | 88.8 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 127 | 171 | -179.9 | -159 | -72.6 | 0 | 0 | 108 | V607 K608 F622 E625 I626 M629 L640 T654 | V607-M652 CarbonylContact C-O 3.59Å; V607-M652 WeakPolarHBondContact CA-O 3.12Å; K608-M652 HydrophobicContact CB-CB 4.31Å; K608-M652 PolarHBondContact N-O 3.38Å; K608-M652 PolarHBondContact O-N 3.23Å; F622-M652 HydrophobicContact CE1-CB 4.47Å; F622-M652 HydrophobicContact CZ-CB 4.04Å; E625-M652 HydrophobicContact CB-CE 4.08Å; E625-M652 HydrophobicContact CG-CE 3.83Å; I626-M652 HydrophobicContact CG1-CB 4.37Å; I626-M652 HydrophobicContact CG1-CE 3.67Å; I626-M652 HydrophobicContact CG1-CG 4.36Å; M629-M652 HydrophobicContact CE-SD 3.64Å; M629-M652 HydrophobicContact SD-CE 3.64Å; M629-M652 HydrophobicContact SD-SD 3.53Å; L640-M652 HydrophobicContact CD1-CB 4.48Å; L640-M652 HydrophobicContact CD1-CG 3.31Å; L640-M652 HydrophobicContact CD1-SD 4.35Å; M652-T654 HydrophobicContact CG-CG2 4.4Å; M652-T654 HydrophobicContact SD-CG2 4.26Å |
| 653 | I | 90.6 | Very high | 89 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 116.9 | -174.3 | -56 | 166.7 | 0 | 0 | 0 | 108.8 | F558 L563 M585 V605 V607 L641 A642 | F558-I653 HydrophobicContact CB-CD1 3.53Å; F558-I653 HydrophobicContact CD1-CD1 3.67Å; F558-I653 HydrophobicContact CG-CD1 3.67Å; L563-I653 HydrophobicContact CD1-CD1 4.36Å; L563-I653 HydrophobicContact CD2-CD1 3.8Å; L563-I653 HydrophobicContact CD2-CG1 4.28Å; M585-I653 HydrophobicContact CE-CG2 4.5Å; V605-I653 HydrophobicContact CB-CG2 3.79Å; V605-I653 HydrophobicContact CG1-CG2 4.07Å; V605-I653 HydrophobicContact CG2-CG2 3.83Å; V607-I653 HydrophobicContact CG1-CG1 4.27Å; V607-I653 HydrophobicContact CG2-CG1 4.3Å; V607-I653 HydrophobicContact CG2-CG2 4.47Å; L641-I653 WeakPolarHBondContact CB-O 3.41Å; L641-I653 PolarHBondContact N-O 3.33Å; A642-I653 HydrophobicContact CB-CB 4.5Å; A642-I653 HydrophobicContact CB-CD1 4.24Å; A642-I653 PolarHBondContact N-O 2.76Å; A642-I653 WeakPolarHBondContact O-CB 3.48Å; A642-I653 PolarHBondContact O-N 2.82Å |
| 654 | T | 90.8 | Very high | 89 | Confident | 4 Ų | 4 | 33.9 Ų | 33.9 | 3% | 0.025 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 164.1 | -179.4 | 56.8 | 0 | 0 | 0 | 0 | 111 | V605 A606 M629 I638 H639 M652 | V605-T654 WeakPolarHBondContact CA-O 3.18Å; V605-T654 WeakPolarHBondContact CB-O 3.27Å; A606-T654 PolarHBondContact N-O 2.86Å; A606-T654 PolarHBondContact O-N 2.8Å; A606-T654 PolarHBondContact O-OG1 3.06Å; M629-T654 HydrophobicContact CE-CG2 3.84Å; I638-T654 HydrophobicContact CG1-CG2 4.4Å; H639-T654 WeakPolarHBondContact O-CA 3.4Å; M652-T654 HydrophobicContact CG-CG2 4.4Å; M652-T654 HydrophobicContact SD-CG2 4.26Å |
| 655 | E | 88.1 | Confident | 89.2 | Confident | 28 Ų | 28 | 34.8 Ų | 34.8 | 13% | 0.131 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 142.6 | 171.3 | 65.4 | -161.5 | 125.2 | 0 | 0 | 111.9 | I638 H639 L641 K725 | I638-E655 HydrophobicContact CD1-CG 3.57Å; H639-E655 WeakPolarHBondContact CB-OE1 3.38Å; H639-E655 PolarHBondContact N-OE1 3.35Å; L641-E655 HydrophobicContact CD1-CB 4.37Å; E655-K725 VanDerWaalsContact CD-CD 3.47Å; E655-K725 VanDerWaalsContact CD-NZ 3.3Å; E655-K725 HydrophobicContact CG-CD 4.38Å; E655-K725 WeakPolarHBondContact OE1-CD 3.4Å; E655-K725 VanDerWaalsContact OE1-CE 3.25Å; E655-K725 WeakPolarHBondContact OE1-CE 3.45Å; E655-K725 IonicContact OE1-NZ 2.84Å; E655-K725 PolarHBondContact OE1-NZ 3.05Å; E655-K725 WeakPolarHBondContact OE2-CD 3.46Å; E655-K725 WeakPolarHBondContact OE2-CE 3.42Å; E655-K725 IonicContact OE2-NZ 3.64Å; E655-K725 PolarHBondContact OE2-NZ 2.83Å |
| 656 | Y | 89.9 | Confident | 89.5 | Confident | 48 Ų | 48 | 31.2 Ų | 31.2 | 19% | 0.188 | 17% | 0.165 | C | C | . | . | trans | -87 | 128.4 | 176.7 | 176.7 | -116.1 | 0 | 0 | 0 | 111.4 | Y521 L569 L579 L604 E658 | Y521-Y656 HydrophobicContact CE2-CD2 4.32Å; Y521-Y656 AromaticContact CE2-CE2 3.6Å; Y521-Y656 HydrophobicContact CE2-CE2 3.6Å; Y521-Y656 AromaticContact CZ-CE2 3.93Å; L569-Y656 HydrophobicContact CD1-CD2 4.11Å; L569-Y656 HydrophobicContact CD1-CE2 3.9Å; L569-Y656 HydrophobicContact CD2-CE2 4.27Å; L579-Y656 HydrophobicContact CD1-CD1 4Å; L579-Y656 HydrophobicContact CD1-CD2 3.58Å; L579-Y656 HydrophobicContact CD1-CE1 4.16Å; L579-Y656 HydrophobicContact CD1-CE2 3.76Å; L579-Y656 HydrophobicContact CD1-CG 3.7Å; L579-Y656 HydrophobicContact CD2-CE2 4.41Å; L604-Y656 HydrophobicContact CB-CD1 3.95Å; L604-Y656 HydrophobicContact CB-CG 4.31Å; L604-Y656 HydrophobicContact CD1-CD1 4.13Å; L604-Y656 HydrophobicContact CD1-CE1 4.25Å; L604-Y656 WeakPolarHBondContact O-CB 2.99Å; Y656-E658 HydrophobicContact CD1-CB 4.37Å; Y656-E658 HydrophobicContact CE1-CB 3.83Å | ||
| 657 | M | 90.9 | Very high | 89.9 | Confident | 8 Ų | 8 | 28.8 Ų | 28.8 | 4% | 0.039 | 15% | 0.152 | C | C | . | . | trans | -105 | 108.2 | 177.3 | -61.4 | -70.8 | -83 | 0 | 0 | 109.2 | Y521 I638 N659 G660 L717 V718 K725 | Y521-M657 WeakPolarHBondContact CE2-O 3.25Å; Y521-M657 PolarHBondContact OH-N 2.77Å; Y521-M657 VanDerWaalsContact OH-N 3.15Å; Y521-M657 PolarHBondContact OH-O 2.69Å; I638-M657 HydrophobicContact CD1-CG 4.26Å; M657-N659 VanDerWaalsContact C-N 3.31Å; M657-N659 PolarHBondContact O-N 3.1Å; M657-G660 PolarHBondContact O-N 3.36Å; M657-L717 HydrophobicContact CB-CB 3.72Å; M657-L717 HydrophobicContact CB-CD1 3.86Å; M657-L717 HydrophobicContact CB-CG 4.4Å; M657-L717 HydrophobicContact CE-CB 4.11Å; M657-L717 WeakPolarHBondContact CE-O 3.48Å; M657-L717 HydrophobicContact CG-CB 3.69Å; M657-L717 HydrophobicContact CG-CD1 3.74Å; M657-L717 HydrophobicContact CG-CG 4.4Å; M657-V718 CarbonylContact C-O 3.58Å; M657-K725 HydrophobicContact CE-CB 3.97Å; M657-K725 HydrophobicContact CE-CD 3.91Å; M657-K725 HydrophobicContact CE-CG 4.07Å; M657-K725 HydrophobicContact SD-CD 3.9Å | ||
| 658 | E | 86.9 | Confident | 90.3 | Very high | 80 Ų | 80 | 28 Ų | 28 | 37% | 0.374 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -15.6 | -164 | 66.2 | -175.3 | -158.3 | 0 | 0 | 115.8 | Y656 K720 | Y656-E658 HydrophobicContact CD1-CB 4.37Å; Y656-E658 HydrophobicContact CE1-CB 3.83Å; E658-K720 HydrophobicContact CG-CG 4.47Å; E658-K720 WeakPolarHBondContact OE1-CE 3.42Å; E658-K720 WeakPolarHBondContact OE1-CG 3.3Å; E658-K720 WeakPolarHBondContact OE2-CE 3.41Å; E658-K720 IonicContact OE2-NZ 3.93Å |
| 659 | N | 89.9 | Confident | 90.6 | Very high | 59 Ų | 59 | 25 Ų | 25 | 32% | 0.316 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 10.3 | -178.3 | -67 | -63 | 0 | 0 | 0 | 113.4 | M657 F665 V718 G719 | M657-N659 VanDerWaalsContact C-N 3.31Å; M657-N659 PolarHBondContact O-N 3.1Å; N659-F665 HydrophobicContact CB-CD2 3.77Å; N659-F665 HydrophobicContact CB-CE2 3.91Å; N659-V718 HydrophobicContact CB-CB 3.82Å; N659-V718 HydrophobicContact CB-CG1 3.86Å; N659-V718 WeakPolarHBondContact CB-O 3.45Å; N659-V718 PolarHBondContact N-O 3Å; N659-G719 PolarHBondContact ND2-O 2.92Å |
| 660 | G | 89.3 | Confident | 90.5 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | trans | 74.3 | -152 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | H520 M657 L717 V718 | H520-G660 WeakPolarHBondContact O-CA 3.47Å; M657-G660 PolarHBondContact O-N 3.36Å; G660-L717 WeakPolarHBondContact O-CA 3.36Å; G660-V718 PolarHBondContact O-N 2.7Å | ||
| 661 | D | 90.4 | Very high | 90.1 | Very high | 8 Ų | 8 | 26.9 Ų | 26.9 | 4% | 0.043 | 13% | 0.132 | C | C | . | . | B | Isolated β-bridge | trans | -83.1 | 155 | 174.8 | 81.6 | 62.1 | 0 | 0 | 0 | 112.8 | N663 Q664 F665 C716 L717 Y736 | D661-N663 VanDerWaalsContact C-N 3.27Å; D661-N663 PolarHBondContact O-N 2.73Å; D661-N663 WeakPolarHBondContact OD1-CA 3.18Å; D661-N663 WeakPolarHBondContact OD1-CB 3.46Å; D661-N663 PolarHBondContact OD1-N 2.95Å; D661-Q664 PolarHBondContact O-N 2.81Å; D661-Q664 PolarHBondContact OD1-N 2.75Å; D661-Q664 WeakPolarHBondContact OD2-CG 3.33Å; D661-F665 VanDerWaalsContact O-CB 3.3Å; D661-F665 WeakPolarHBondContact O-CB 3.19Å; D661-F665 PolarHBondContact O-N 3.04Å; D661-C716 CarbonylContact C-O 3.58Å; D661-C716 WeakPolarHBondContact CA-O 3.4Å; D661-L717 HydrophobicContact CB-CD2 4.11Å; D661-Y736 PolarHBondContact OD1-OH 3.45Å; D661-Y736 VanDerWaalsContact OD1-OH 3.04Å; D661-Y736 PolarHBondContact OD2-OH 3.41Å |
| 662 | L | 94.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.8 | -22.6 | -174 | -177.2 | 62.7 | 0 | 0 | 0 | 113 | F665 L666 M690 I694 T713 C716 V718 I724 | L662-F665 HydrophobicContact CD1-CD1 4.33Å; L662-L666 HydrophobicContact CD1-CD1 3.82Å; L662-L666 HydrophobicContact CD1-CD2 4.38Å; L662-L666 HydrophobicContact CD1-CG 3.77Å; L662-L666 HydrophobicContact CG-CD1 3.94Å; L662-L666 HydrophobicContact CG-CG 4.26Å; L662-L666 WeakPolarHBondContact O-CB 3.18Å; L662-L666 WeakPolarHBondContact O-CG 3.24Å; L662-L666 PolarHBondContact O-N 2.93Å; L662-M690 HydrophobicContact CD1-CE 4.5Å; L662-M690 HydrophobicContact CD1-SD 3.83Å; L662-I694 HydrophobicContact CD2-CD1 3.79Å; L662-T713 HydrophobicContact CD2-CG2 4.14Å; L662-T713 HydrophobicContact CG-CG2 4.34Å; L662-C716 HydrophobicContact CB-CB 4.02Å; L662-C716 WeakPolarHBondContact CB-O 3.24Å; L662-C716 HydrophobicContact CD2-CB 4.12Å; L662-C716 PolarHBondContact N-O 2.86Å; L662-V718 HydrophobicContact CB-CG2 3.89Å; L662-V718 HydrophobicContact CD1-CG2 3.69Å; L662-V718 HydrophobicContact CG-CG2 4.41Å; L662-I724 HydrophobicContact CD1-CD1 3.99Å; L662-I724 HydrophobicContact CD2-CD1 4.4Å |
| 663 | N | 93 | Very high | 88.5 | Confident | 27 Ų | 27 | 37.8 Ų | 37.8 | 14% | 0.144 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -72.3 | -50.6 | 176.2 | -167.2 | -79.8 | 0 | 0 | 0 | 110.6 | D661 F665 S667 T713 R714 Y736 | D661-N663 VanDerWaalsContact C-N 3.27Å; D661-N663 PolarHBondContact O-N 2.73Å; D661-N663 WeakPolarHBondContact OD1-CA 3.18Å; D661-N663 WeakPolarHBondContact OD1-CB 3.46Å; D661-N663 PolarHBondContact OD1-N 2.95Å; N663-F665 VanDerWaalsContact C-N 3.32Å; N663-F665 PolarHBondContact O-N 2.89Å; N663-S667 WeakPolarHBondContact O-CB 3.25Å; N663-S667 PolarHBondContact O-N 2.85Å; N663-S667 VanDerWaalsContact O-N 3.07Å; N663-S667 PolarHBondContact O-OG 2.78Å; N663-T713 WeakPolarHBondContact CB-OG1 3.4Å; N663-T713 PolarHBondContact ND2-OG1 3.25Å; N663-R714 HydrophobicContact CB-CB 4.44Å; N663-Y736 HydrophobicContact CB-CE1 4.16Å; N663-Y736 WeakPolarHBondContact OD1-CE1 3.38Å |
| 664 | Q | 90.6 | Very high | 87.3 | Confident | 16 Ų | 16 | 39.8 Ų | 39.8 | 8% | 0.075 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.9 | -37.6 | 171.9 | -67.1 | -167.4 | 24.7 | 0 | 0 | 112.4 | P519 D661 S667 R668 Y736 | P519-Q664 PolarHBondContact O-OE1 2.86Å; D661-Q664 PolarHBondContact O-N 2.81Å; D661-Q664 PolarHBondContact OD1-N 2.75Å; D661-Q664 WeakPolarHBondContact OD2-CG 3.33Å; Q664-S667 WeakPolarHBondContact CA-OG 3.45Å; Q664-S667 PolarHBondContact O-OG 3.08Å; Q664-R668 VanDerWaalsContact O-CD 3.25Å; Q664-R668 WeakPolarHBondContact O-CD 3.24Å; Q664-R668 WeakPolarHBondContact O-CG 3.28Å; Q664-R668 PolarHBondContact O-N 3.44Å; Q664-Y736 WeakPolarHBondContact CG-OH 3.35Å |
| 665 | F | 93.8 | Very high | 85.7 | Confident | 20 Ų | 20 | 45.8 Ų | 45.8 | 9% | 0.088 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.1 | -53.5 | 178.8 | -175.3 | -99.8 | 0 | 0 | 0 | 111 | N659 D661 L662 N663 R668 H669 V682 M690 V718 Y722 | N659-F665 HydrophobicContact CB-CD2 3.77Å; N659-F665 HydrophobicContact CB-CE2 3.91Å; D661-F665 VanDerWaalsContact O-CB 3.3Å; D661-F665 WeakPolarHBondContact O-CB 3.19Å; D661-F665 PolarHBondContact O-N 3.04Å; L662-F665 HydrophobicContact CD1-CD1 4.33Å; N663-F665 VanDerWaalsContact C-N 3.32Å; N663-F665 PolarHBondContact O-N 2.89Å; F665-R668 PolarHBondContact O-N 3.4Å; F665-H669 AromaticContact CD2-CE1 3.87Å; F665-H669 AromaticContact CE1-CE1 3.87Å; F665-H669 AromaticContact CE2-CE1 3.46Å; F665-H669 VanDerWaalsContact CE2-CE1 3.46Å; F665-H669 WeakPolarHBondContact CE2-CE1 3.32Å; F665-H669 AromaticContact CZ-CE1 3.45Å; F665-H669 VanDerWaalsContact CZ-CE1 3.45Å; F665-H669 WeakPolarHBondContact CZ-CE1 3.29Å; F665-H669 AromaticContact CZ-NE2 3.77Å; F665-H669 PolarHBondContact O-ND1 3Å; F665-V682 HydrophobicContact CE1-CG2 4.43Å; F665-M690 HydrophobicContact CE1-SD 4.36Å; F665-V718 HydrophobicContact CB-CB 4.5Å; F665-V718 HydrophobicContact CB-CG2 3.84Å; F665-V718 HydrophobicContact CD1-CG1 4.2Å; F665-V718 HydrophobicContact CD1-CG2 4.2Å; F665-V718 HydrophobicContact CD2-CB 4.42Å; F665-V718 HydrophobicContact CD2-CG1 4.13Å; F665-V718 HydrophobicContact CE1-CG1 4.26Å; F665-V718 HydrophobicContact CE2-CG1 4.18Å; F665-V718 HydrophobicContact CG-CB 4.29Å; F665-V718 HydrophobicContact CG-CG1 4.13Å; F665-V718 HydrophobicContact CG-CG2 3.96Å; F665-V718 HydrophobicContact CZ-CG1 4.25Å; F665-Y722 AromaticContact CE1-CD1 3.85Å; F665-Y722 HydrophobicContact CE1-CD1 3.85Å; F665-Y722 AromaticContact CE1-CE1 3.81Å; F665-Y722 HydrophobicContact CE1-CE1 3.81Å; F665-Y722 AromaticContact CZ-CD1 3.94Å; F665-Y722 HydrophobicContact CZ-CD1 3.94Å; F665-Y722 AromaticContact CZ-CE1 3.72Å; F665-Y722 HydrophobicContact CZ-CE1 3.72Å |
| 666 | L | 94.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.8 | -37.8 | -176.1 | -70.7 | 177.7 | 0 | 0 | 0 | 113.5 | L662 R668 H669 L687 M690 T780 F783 C784 | L662-L666 HydrophobicContact CD1-CD1 3.82Å; L662-L666 HydrophobicContact CD1-CD2 4.38Å; L662-L666 HydrophobicContact CD1-CG 3.77Å; L662-L666 HydrophobicContact CG-CD1 3.94Å; L662-L666 HydrophobicContact CG-CG 4.26Å; L662-L666 WeakPolarHBondContact O-CB 3.18Å; L662-L666 WeakPolarHBondContact O-CG 3.24Å; L662-L666 PolarHBondContact O-N 2.93Å; L666-R668 PolarHBondContact O-N 2.74Å; L666-R668 VanDerWaalsContact O-N 3.17Å; L666-H669 PolarHBondContact O-N 2.85Å; L666-L687 HydrophobicContact CD2-CD2 3.54Å; L666-M690 HydrophobicContact CD2-CE 3.82Å; L666-T780 HydrophobicContact CD1-CG2 4.2Å; L666-F783 CarbonylContact C-O 3.54Å; L666-F783 VanDerWaalsContact C-O 3.24Å; L666-C784 HydrophobicContact CB-CB 4.33Å |
| 667 | S | 91.2 | Very high | 82.8 | Confident | 56 Ų | 56 | 50.1 Ų | 50.1 | 39% | 0.392 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.4 | -15.7 | 178.6 | 55.1 | 0 | 0 | 0 | 0 | 113.8 | N663 Q664 F783 | N663-S667 WeakPolarHBondContact O-CB 3.25Å; N663-S667 PolarHBondContact O-N 2.85Å; N663-S667 VanDerWaalsContact O-N 3.07Å; N663-S667 PolarHBondContact O-OG 2.78Å; Q664-S667 WeakPolarHBondContact CA-OG 3.45Å; Q664-S667 PolarHBondContact O-OG 3.08Å; S667-F783 VanDerWaalsContact CA-O 3.29Å; S667-F783 WeakPolarHBondContact CA-O 3.46Å; S667-F783 PolarHBondContact N-O 3.11Å |
| 668 | R | 89.9 | Confident | 81.7 | Confident | 103 Ų | 103 | 57.4 Ų | 57.4 | 39% | 0.389 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 2 | 171.7 | -66.9 | 170 | -176 | 153.1 | 4.3 | 114 | Q664 F665 L666 | Q664-R668 VanDerWaalsContact O-CD 3.25Å; Q664-R668 WeakPolarHBondContact O-CD 3.24Å; Q664-R668 WeakPolarHBondContact O-CG 3.28Å; Q664-R668 PolarHBondContact O-N 3.44Å; F665-R668 PolarHBondContact O-N 3.4Å; L666-R668 PolarHBondContact O-N 2.74Å; L666-R668 VanDerWaalsContact O-N 3.17Å |
| 669 | H | 90 | Very high | 81.1 | Confident | 24 Ų | 24 | 56.2 Ų | 56.2 | 11% | 0.111 | 33% | 0.328 | C | S | . | . | trans | -123.9 | 160.8 | -177 | -72.2 | 79.7 | 0 | 0 | 0 | 113 | F665 L666 P680 V682 F783 | F665-H669 AromaticContact CD2-CE1 3.87Å; F665-H669 AromaticContact CE1-CE1 3.87Å; F665-H669 AromaticContact CE2-CE1 3.46Å; F665-H669 VanDerWaalsContact CE2-CE1 3.46Å; F665-H669 WeakPolarHBondContact CE2-CE1 3.32Å; F665-H669 AromaticContact CZ-CE1 3.45Å; F665-H669 VanDerWaalsContact CZ-CE1 3.45Å; F665-H669 WeakPolarHBondContact CZ-CE1 3.29Å; F665-H669 AromaticContact CZ-NE2 3.77Å; F665-H669 PolarHBondContact O-ND1 3Å; L666-H669 PolarHBondContact O-N 2.85Å; H669-P680 VanDerWaalsContact CA-O 3.24Å; H669-P680 WeakPolarHBondContact CA-O 3.49Å; H669-P680 WeakPolarHBondContact CB-O 3.27Å; H669-P680 VanDerWaalsContact CD2-CB 3.43Å; H669-P680 WeakPolarHBondContact CD2-CB 3.38Å; H669-P680 PolarHBondContact CD2-O 2.87Å; H669-V682 HydrophobicContact CB-CG2 3.72Å; H669-V682 WeakPolarHBondContact CD2-CG2 3.39Å; H669-F783 HydrophobicContact CB-CD1 4.25Å; H669-F783 HydrophobicContact CB-CE1 4.27Å; H669-F783 WeakPolarHBondContact O-CD1 3.44Å | ||
| 670 | E | 86.1 | Confident | 80.7 | Confident | 42 Ų | 42 | 57 Ų | 57 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -127.6 | 162.4 | 177.2 | -78.5 | -177.7 | -151.3 | 0 | 0 | 112.8 | S674 S676 V679 P680 T681 V682 F783 | E670-S674 WeakPolarHBondContact CB-OG 3.46Å; E670-S674 WeakPolarHBondContact OE2-CB 3.28Å; E670-S674 PolarHBondContact OE2-OG 2.87Å; E670-S676 PolarHBondContact OE1-OG 3.01Å; E670-S676 WeakPolarHBondContact OE2-CB 3.45Å; E670-S676 PolarHBondContact OE2-OG 2.92Å; E670-V679 HydrophobicContact CB-CG1 4.24Å; E670-V679 HydrophobicContact CG-CB 4.37Å; E670-V679 HydrophobicContact CG-CG1 3.94Å; E670-P680 PolarHBondContact N-O 3.44Å; E670-T681 HydrophobicContact CB-CG2 4.5Å; E670-T681 CarbonylContact O-C 3.57Å; E670-T681 WeakPolarHBondContact O-CA 3.46Å; E670-T681 WeakPolarHBondContact O-CB 3.3Å; E670-V682 PolarHBondContact O-N 3.07Å; E670-F783 VanDerWaalsContact C-CE1 3.5Å |
| 671 | P | 82.6 | Confident | 80.6 | Confident | 38 Ų | 38 | 60.2 Ų | 60.2 | 25% | 0.247 | 36% | 0.356 | C | S | . | . | trans | -70.7 | 148.1 | 171.4 | 28.4 | -34.3 | 0 | 0 | 0 | 111.5 | N673 S674 F783 I819 | P671-N673 PolarHBondContact O-N 2.83Å; P671-S674 PolarHBondContact O-N 3.15Å; P671-S674 VanDerWaalsContact O-N 3.1Å; P671-S674 PolarHBondContact O-OG 2.81Å; P671-F783 HydrophobicContact CB-CE2 3.92Å; P671-F783 HydrophobicContact CB-CZ 3.91Å; P671-F783 HydrophobicContact CG-CE2 4.16Å; P671-F783 HydrophobicContact CG-CZ 4.41Å; P671-I819 HydrophobicContact CB-CG2 4.32Å | ||
| 672 | P | 76.6 | Confident | 80.6 | Confident | 71 Ų | 71 | 59.8 Ų | 59.8 | 46% | 0.461 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -1.4 | -169 | -24.1 | 35.7 | 0 | 0 | 0 | 117.5 | V682 | P672-V682 WeakPolarHBondContact CD-O 3.47Š|
| 673 | N | 68.6 | Low | 80.4 | Confident | 161 Ų | 161 | 61.5 Ų | 61.5 | 86% | 0.861 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.7 | 4.2 | -178.7 | -66.9 | -18.1 | 0 | 0 | 0 | 113.1 | P671 | P671-N673 PolarHBondContact O-N 2.83Š|
| 674 | S | 65.3 | Low | 80.3 | Confident | 42 Ų | 42 | 63.9 Ų | 63.9 | 29% | 0.294 | 37% | 0.373 | S | S | . | . | trans | -72.3 | 147.5 | 172 | 64.3 | 0 | 0 | 0 | 0 | 111 | E670 P671 S676 | E670-S674 WeakPolarHBondContact CB-OG 3.46Å; E670-S674 WeakPolarHBondContact OE2-CB 3.28Å; E670-S674 PolarHBondContact OE2-OG 2.87Å; P671-S674 PolarHBondContact O-N 3.15Å; P671-S674 VanDerWaalsContact O-N 3.1Å; P671-S674 PolarHBondContact O-OG 2.81Å; S674-S676 PolarHBondContact O-N 2.88Å | ||
| 675 | S | 57 | Low | 80.3 | Confident | 129 Ų | 129 | 67.8 Ų | 67.8 | 90% | 0.902 | 40% | 0.398 | S | S | * | . | trans | -86 | 25.4 | -175.7 | 51.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 676 | S | 59 | Low | 80.3 | Confident | 51 Ų | 51 | 68.9 Ų | 68.9 | 36% | 0.357 | 41% | 0.405 | S | S | . | . | trans | -97.6 | 90.1 | -171.7 | -48.1 | 0 | 0 | 0 | 0 | 111 | E670 S674 N678 V679 | E670-S676 PolarHBondContact OE1-OG 3.01Å; E670-S676 WeakPolarHBondContact OE2-CB 3.45Å; E670-S676 PolarHBondContact OE2-OG 2.92Å; S674-S676 PolarHBondContact O-N 2.88Å; S676-N678 PolarHBondContact O-N 2.83Å; S676-V679 PolarHBondContact O-N 2.86Å | ||
| 677 | S | 58.9 | Low | 80.3 | Confident | 117 Ų | 117 | 68.9 Ų | 68.9 | 82% | 0.818 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | 33.3 | -162.4 | 73.7 | 0 | 0 | 0 | 0 | 117.2 | ||
| 678 | N | 67.2 | Low | 80.4 | Confident | 161 Ų | 161 | 67.4 Ų | 67.4 | 86% | 0.861 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -155 | -3.9 | 175.2 | -91.1 | -38.7 | 0 | 0 | 0 | 114.8 | S676 | S676-N678 PolarHBondContact O-N 2.83Š|
| 679 | V | 74.6 | Confident | 80.7 | Confident | 55 Ų | 55 | 67.3 Ų | 67.3 | 33% | 0.333 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -88.8 | 136 | -175.9 | -173.5 | 0 | 0 | 0 | 0 | 110.4 | E670 S676 | E670-V679 HydrophobicContact CB-CG1 4.24Å; E670-V679 HydrophobicContact CG-CB 4.37Å; E670-V679 HydrophobicContact CG-CG1 3.94Å; S676-V679 PolarHBondContact O-N 2.86Å |
| 680 | P | 82.1 | Confident | 81 | Confident | 76 Ų | 76 | 66.2 Ų | 66.2 | 49% | 0.494 | 39% | 0.389 | S | S | . | . | trans | -58.7 | 141 | 171.9 | -26.3 | 37.4 | 0 | 0 | 0 | 111.9 | H669 E670 | H669-P680 VanDerWaalsContact CA-O 3.24Å; H669-P680 WeakPolarHBondContact CA-O 3.49Å; H669-P680 WeakPolarHBondContact CB-O 3.27Å; H669-P680 VanDerWaalsContact CD2-CB 3.43Å; H669-P680 WeakPolarHBondContact CD2-CB 3.38Å; H669-P680 PolarHBondContact CD2-O 2.87Å; E670-P680 PolarHBondContact N-O 3.44Å | ||
| 681 | T | 86.7 | Confident | 81.6 | Confident | 67 Ų | 67 | 64.2 Ų | 64.2 | 41% | 0.411 | 38% | 0.38 | S | S | . | . | B | Isolated β-bridge | trans | -116.8 | 142.7 | -174.7 | 55.2 | 0 | 0 | 0 | 0 | 113.8 | E670 | E670-T681 HydrophobicContact CB-CG2 4.5Å; E670-T681 CarbonylContact O-C 3.57Å; E670-T681 WeakPolarHBondContact O-CA 3.46Å; E670-T681 WeakPolarHBondContact O-CB 3.3Å |
| 682 | V | 89.5 | Confident | 82.3 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 37% | 0.373 | C | S | . | . | trans | -118.1 | 123.3 | 177.2 | -173.9 | 0 | 0 | 0 | 0 | 109.5 | F665 H669 E670 P672 N686 L687 M690 Y722 F783 | F665-V682 HydrophobicContact CE1-CG2 4.43Å; H669-V682 HydrophobicContact CB-CG2 3.72Å; H669-V682 WeakPolarHBondContact CD2-CG2 3.39Å; E670-V682 PolarHBondContact O-N 3.07Å; P672-V682 WeakPolarHBondContact CD-O 3.47Å; V682-N686 HydrophobicContact CG1-CB 3.52Å; V682-L687 HydrophobicContact CB-CD2 4.31Å; V682-L687 HydrophobicContact CG1-CD2 3.72Å; V682-L687 HydrophobicContact CG1-CG 3.92Å; V682-M690 HydrophobicContact CG1-CE 3.9Å; V682-Y722 HydrophobicContact CG1-CE1 4.21Å; V682-Y722 HydrophobicContact CG2-CE1 4.09Å; V682-F783 HydrophobicContact CB-CE1 4.04Å | ||
| 683 | S | 91.1 | Very high | 83.3 | Confident | 36 Ų | 36 | 60.6 Ų | 60.6 | 25% | 0.252 | 36% | 0.355 | S | S | . | . | trans | -71.1 | 156.3 | 178.3 | 69.7 | 0 | 0 | 0 | 0 | 112.1 | T685 N686 L687 | S683-T685 PolarHBondContact O-N 2.94Å; S683-N686 PolarHBondContact O-N 2.96Å; S683-N686 PolarHBondContact OG-N 3.47Å; S683-N686 VanDerWaalsContact OG-N 3.14Å; S683-N686 PolarHBondContact OG-OD1 2.89Å; S683-L687 PolarHBondContact O-N 3.29Å | ||
| 684 | Y | 90.3 | Very high | 84.7 | Confident | 76 Ų | 76 | 53 Ų | 53 | 30% | 0.298 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -49.1 | -42.6 | 169.1 | 168 | -103.3 | 0 | 0 | 0 | 112 | N686 L687 K688 F781 P821 | Y684-N686 VanDerWaalsContact C-N 3.33Å; Y684-N686 PolarHBondContact O-N 3.22Å; Y684-L687 PolarHBondContact O-N 3.47Å; Y684-K688 HydrophobicContact CE1-CD 4.07Å; Y684-K688 VanDerWaalsContact O-CB 3.25Å; Y684-K688 WeakPolarHBondContact O-CB 3.45Å; Y684-K688 PolarHBondContact O-N 3.32Å; Y684-F781 AromaticContact CD2-CE1 3.67Å; Y684-F781 HydrophobicContact CD2-CE1 3.67Å; Y684-F781 HydrophobicContact CD2-CZ 4.36Å; Y684-F781 AromaticContact CE2-CE1 3.65Å; Y684-F781 HydrophobicContact CE2-CE1 3.65Å; Y684-F781 AromaticContact CE2-CZ 3.95Å; Y684-F781 HydrophobicContact CE2-CZ 3.95Å; Y684-P821 HydrophobicContact CD2-CG 4.38Å; Y684-P821 VanDerWaalsContact CE2-CD 3.41Å; Y684-P821 HydrophobicContact CE2-CG 3.62Å |
| 685 | T | 90.8 | Very high | 86.3 | Confident | 98 Ų | 98 | 51 Ų | 51 | 60% | 0.601 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -59.6 | -40.5 | 177.2 | -43.9 | 0 | 0 | 0 | 0 | 112.3 | S683 F689 | S683-T685 PolarHBondContact O-N 2.94Å; T685-F689 VanDerWaalsContact O-CB 3.28Å; T685-F689 WeakPolarHBondContact O-CB 3.41Å; T685-F689 PolarHBondContact O-N 2.9Å |
| 686 | N | 93.9 | Very high | 88.2 | Confident | 44 Ų | 44 | 45.9 Ų | 45.9 | 24% | 0.235 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -72.9 | -41.2 | 178.8 | -66.6 | 3.1 | 0 | 0 | 0 | 111.6 | V682 S683 Y684 K688 F689 M690 Y722 | V682-N686 HydrophobicContact CG1-CB 3.52Å; S683-N686 PolarHBondContact O-N 2.96Å; S683-N686 PolarHBondContact OG-N 3.47Å; S683-N686 VanDerWaalsContact OG-N 3.14Å; S683-N686 PolarHBondContact OG-OD1 2.89Å; Y684-N686 VanDerWaalsContact C-N 3.33Å; Y684-N686 PolarHBondContact O-N 3.22Å; N686-K688 VanDerWaalsContact C-N 3.34Å; N686-K688 PolarHBondContact O-N 3.36Å; N686-F689 PolarHBondContact O-N 3.33Å; N686-M690 WeakPolarHBondContact O-CG 3.39Å; N686-M690 PolarHBondContact O-N 3.22Å; N686-Y722 WeakPolarHBondContact ND2-CE2 3.42Å |
| 687 | L | 94.6 | Very high | 90 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.4 | -47.2 | 172.5 | -64.4 | 177.4 | 0 | 0 | 0 | 111.2 | L666 V682 S683 Y684 F689 M690 A691 T780 F781 F783 I819 | L666-L687 HydrophobicContact CD2-CD2 3.54Å; V682-L687 HydrophobicContact CB-CD2 4.31Å; V682-L687 HydrophobicContact CG1-CD2 3.72Å; V682-L687 HydrophobicContact CG1-CG 3.92Å; S683-L687 PolarHBondContact O-N 3.29Å; Y684-L687 PolarHBondContact O-N 3.47Å; L687-F689 VanDerWaalsContact C-N 3.33Å; L687-F689 PolarHBondContact O-N 2.93Å; L687-M690 HydrophobicContact CD2-CE 3.84Å; L687-M690 PolarHBondContact O-N 3.12Å; L687-A691 WeakPolarHBondContact O-CB 2.98Å; L687-A691 PolarHBondContact O-N 3.03Å; L687-T780 HydrophobicContact CB-CG2 4.26Å; L687-T780 HydrophobicContact CD2-CG2 4.28Å; L687-F781 HydrophobicContact CB-CD1 4.49Å; L687-F781 HydrophobicContact CB-CE1 3.96Å; L687-F781 HydrophobicContact CB-CZ 4.38Å; L687-F781 HydrophobicContact CD1-CD1 4.11Å; L687-F781 HydrophobicContact CD1-CE1 4.24Å; L687-F783 HydrophobicContact CD1-CE2 3.96Å; L687-F783 HydrophobicContact CD1-CZ 3.9Å; L687-F783 HydrophobicContact CD2-CE1 4.45Å; L687-I819 HydrophobicContact CD1-CD1 3.26Å |
| 688 | K | 93.9 | Very high | 91.8 | Very high | 25 Ų | 25 | 38 Ų | 38 | 11% | 0.109 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.9 | -38.6 | 176 | -169.7 | -172.5 | -179.1 | -134.5 | 0 | 112.1 | Y684 N686 A691 T692 L849 Q852 | Y684-K688 HydrophobicContact CE1-CD 4.07Å; Y684-K688 VanDerWaalsContact O-CB 3.25Å; Y684-K688 WeakPolarHBondContact O-CB 3.45Å; Y684-K688 PolarHBondContact O-N 3.32Å; N686-K688 VanDerWaalsContact C-N 3.34Å; N686-K688 PolarHBondContact O-N 3.36Å; K688-A691 PolarHBondContact O-N 2.67Å; K688-T692 WeakPolarHBondContact O-CB 3.02Å; K688-T692 PolarHBondContact O-N 3.46Å; K688-T692 PolarHBondContact O-OG1 3.03Å; K688-L849 WeakPolarHBondContact CE-O 3.47Å; K688-L849 PolarHBondContact NZ-O 3.49Å; K688-Q852 WeakPolarHBondContact CE-O 3.49Å; K688-Q852 VanDerWaalsContact NZ-C 3.34Å; K688-Q852 PolarHBondContact NZ-O 3.38Å |
| 689 | F | 95.5 | Very high | 93.3 | Very high | 101 Ų | 101 | 33.7 Ų | 33.7 | 44% | 0.443 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -66 | -42 | 175.5 | 176.8 | -114.6 | 0 | 0 | 0 | 112.3 | T685 N686 L687 T692 Q693 | T685-F689 VanDerWaalsContact O-CB 3.28Å; T685-F689 WeakPolarHBondContact O-CB 3.41Å; T685-F689 PolarHBondContact O-N 2.9Å; N686-F689 PolarHBondContact O-N 3.33Å; L687-F689 VanDerWaalsContact C-N 3.33Å; L687-F689 PolarHBondContact O-N 2.93Å; F689-T692 PolarHBondContact O-N 2.86Å; F689-Q693 WeakPolarHBondContact O-CG 3.44Å; F689-Q693 PolarHBondContact O-N 2.99Å; F689-Q693 VanDerWaalsContact O-N 3.12Å; F689-Q693 PolarHBondContact O-NE2 3.26Å |
| 690 | M | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.7 | -45.9 | 173.5 | -68.9 | -174.5 | -68 | 0 | 0 | 111.5 | L662 F665 L666 V682 N686 L687 T692 Q693 I694 Y722 I724 | L662-M690 HydrophobicContact CD1-CE 4.5Å; L662-M690 HydrophobicContact CD1-SD 3.83Å; F665-M690 HydrophobicContact CE1-SD 4.36Å; L666-M690 HydrophobicContact CD2-CE 3.82Å; V682-M690 HydrophobicContact CG1-CE 3.9Å; N686-M690 WeakPolarHBondContact O-CG 3.39Å; N686-M690 PolarHBondContact O-N 3.22Å; L687-M690 HydrophobicContact CD2-CE 3.84Å; L687-M690 PolarHBondContact O-N 3.12Å; M690-T692 VanDerWaalsContact C-N 3.33Å; M690-T692 PolarHBondContact O-N 3.29Å; M690-Q693 WeakPolarHBondContact O-CB 3.43Å; M690-Q693 PolarHBondContact O-N 3.29Å; M690-I694 WeakPolarHBondContact O-CG1 3.38Å; M690-I694 PolarHBondContact O-N 3.39Å; M690-I694 VanDerWaalsContact O-N 3.12Å; M690-Y722 HydrophobicContact CE-CD1 4.21Å; M690-Y722 HydrophobicContact SD-CD1 3.83Å; M690-Y722 HydrophobicContact SD-CG 4.42Å; M690-I724 HydrophobicContact CB-CD1 4.1Å; M690-I724 HydrophobicContact CB-CG1 3.69Å; M690-I724 HydrophobicContact CG-CD1 3.79Å; M690-I724 HydrophobicContact CG-CG1 3.69Å; M690-I724 HydrophobicContact SD-CD1 3.88Å; M690-I724 HydrophobicContact SD-CG1 4.45Å |
| 691 | A | 97.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.7 | -38.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | L687 K688 Q693 I694 A695 L777 L849 | L687-A691 WeakPolarHBondContact O-CB 2.98Å; L687-A691 PolarHBondContact O-N 3.03Å; K688-A691 PolarHBondContact O-N 2.67Å; A691-Q693 VanDerWaalsContact C-N 3.35Å; A691-I694 PolarHBondContact O-N 2.99Å; A691-A695 PolarHBondContact O-N 3.09Å; A691-L777 HydrophobicContact CB-CD1 3.42Å; A691-L777 VanDerWaalsContact CB-CD1 3.42Å; A691-L849 HydrophobicContact CB-CD1 4.42Å |
| 692 | T | 97.6 | Very high | 94.9 | Very high | 15 Ų | 15 | 28.1 Ų | 28.1 | 9% | 0.092 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.4 | -40.3 | 177.4 | -55.2 | 0 | 0 | 0 | 0 | 111.1 | K688 F689 M690 A695 S696 H846 L849 L850 | K688-T692 WeakPolarHBondContact O-CB 3.02Å; K688-T692 PolarHBondContact O-N 3.46Å; K688-T692 PolarHBondContact O-OG1 3.03Å; F689-T692 PolarHBondContact O-N 2.86Å; M690-T692 VanDerWaalsContact C-N 3.33Å; M690-T692 PolarHBondContact O-N 3.29Å; T692-A695 WeakPolarHBondContact O-CB 3.33Å; T692-A695 PolarHBondContact O-N 3.45Å; T692-S696 PolarHBondContact O-N 3.42Å; T692-H846 PolarHBondContact O-CD2 2.69Å; T692-L849 HydrophobicContact CG2-CB 4.4Å; T692-L850 HydrophobicContact CG2-CD2 3.88Å; T692-L850 HydrophobicContact CG2-CG 4.03Å |
| 693 | Q | 98.1 | Very high | 94.9 | Very high | 17 Ų | 17 | 32 Ų | 32 | 8% | 0.079 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.6 | -42.1 | 175.8 | -75 | 175.5 | 89.9 | 0 | 0 | 112.6 | N636 F689 M690 A691 A695 S696 G697 Y722 T723 I724 | N636-Q693 VanDerWaalsContact CB-O 3.31Å; N636-Q693 WeakPolarHBondContact CB-O 3.35Å; N636-Q693 WeakPolarHBondContact ND2-CB 3.49Å; N636-Q693 WeakPolarHBondContact ND2-CG 3.3Å; N636-Q693 PolarHBondContact ND2-OE1 3.25Å; F689-Q693 WeakPolarHBondContact O-CG 3.44Å; F689-Q693 PolarHBondContact O-N 2.99Å; F689-Q693 VanDerWaalsContact O-N 3.12Å; F689-Q693 PolarHBondContact O-NE2 3.26Å; M690-Q693 WeakPolarHBondContact O-CB 3.43Å; M690-Q693 PolarHBondContact O-N 3.29Å; A691-Q693 VanDerWaalsContact C-N 3.35Å; Q693-A695 VanDerWaalsContact C-N 3.31Å; Q693-A695 PolarHBondContact O-N 3.28Å; Q693-S696 WeakPolarHBondContact O-CB 3.3Å; Q693-S696 PolarHBondContact O-N 2.67Å; Q693-S696 VanDerWaalsContact O-N 3.09Å; Q693-G697 PolarHBondContact O-N 3.13Å; Q693-Y722 PolarHBondContact NE2-O 2.7Å; Q693-T723 VanDerWaalsContact OE1-CA 3.31Å; Q693-I724 HydrophobicContact CB-CB 4.01Å; Q693-I724 HydrophobicContact CB-CG1 4.45Å |
| 694 | I | 98.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61 | -42.5 | 173.8 | -59.7 | 167.7 | 0 | 0 | 0 | 110.1 | L662 M690 A691 S696 G697 M698 L711 I724 I726 F773 T776 | L662-I694 HydrophobicContact CD2-CD1 3.79Å; M690-I694 WeakPolarHBondContact O-CG1 3.38Å; M690-I694 PolarHBondContact O-N 3.39Å; M690-I694 VanDerWaalsContact O-N 3.12Å; A691-I694 PolarHBondContact O-N 2.99Å; I694-S696 VanDerWaalsContact C-N 3.28Å; I694-S696 PolarHBondContact O-N 3.13Å; I694-G697 PolarHBondContact O-N 3.02Å; I694-M698 HydrophobicContact CG2-CG 4.42Å; I694-M698 WeakPolarHBondContact O-CB 3.35Å; I694-M698 WeakPolarHBondContact O-CG 3.3Å; I694-M698 PolarHBondContact O-N 3.38Å; I694-L711 HydrophobicContact CG2-CD1 4.3Å; I694-I724 HydrophobicContact CD1-CG2 4.33Å; I694-I724 HydrophobicContact CG1-CG2 3.67Å; I694-I726 HydrophobicContact CG2-CD1 3.94Å; I694-I726 HydrophobicContact CG2-CG1 4.39Å; I694-F773 HydrophobicContact CB-CE2 4.02Å; I694-F773 HydrophobicContact CG2-CD2 3.79Å; I694-F773 HydrophobicContact CG2-CE2 3.77Å; I694-T776 HydrophobicContact CD1-CG2 4.1Å |
| 695 | A | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.1 | -32.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | A691 T692 Q693 K699 F773 I845 H846 L849 | A691-A695 PolarHBondContact O-N 3.09Å; T692-A695 WeakPolarHBondContact O-CB 3.33Å; T692-A695 PolarHBondContact O-N 3.45Å; Q693-A695 VanDerWaalsContact C-N 3.31Å; Q693-A695 PolarHBondContact O-N 3.28Å; A695-K699 WeakPolarHBondContact O-CB 3.44Å; A695-K699 PolarHBondContact O-N 2.89Å; A695-F773 HydrophobicContact CB-CE2 3.96Å; A695-F773 HydrophobicContact CB-CZ 3.9Å; A695-I845 HydrophobicContact CB-CG2 3.86Å; A695-H846 HydrophobicContact CB-CB 4.08Å; A695-L849 HydrophobicContact CB-CD1 4Å |
| 696 | S | 97.9 | Very high | 93.9 | Very high | 23 Ų | 23 | 30.9 Ų | 30.9 | 16% | 0.161 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.9 | -50.6 | 174.5 | -170.3 | 0 | 0 | 0 | 0 | 112 | N636 T692 Q693 I694 M698 K699 Y700 | N636-S696 WeakPolarHBondContact OD1-CB 3.25Å; T692-S696 PolarHBondContact O-N 3.42Å; Q693-S696 WeakPolarHBondContact O-CB 3.3Å; Q693-S696 PolarHBondContact O-N 2.67Å; Q693-S696 VanDerWaalsContact O-N 3.09Å; I694-S696 VanDerWaalsContact C-N 3.28Å; I694-S696 PolarHBondContact O-N 3.13Å; S696-M698 PolarHBondContact O-N 3.08Å; S696-K699 WeakPolarHBondContact O-CB 3.49Å; S696-K699 PolarHBondContact O-N 3.3Å; S696-Y700 PolarHBondContact O-N 3.31Å |
| 697 | G | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61 | -43 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q693 I694 K699 Y700 L701 | Q693-G697 PolarHBondContact O-N 3.13Å; I694-G697 PolarHBondContact O-N 3.02Å; G697-K699 PolarHBondContact O-N 3.35Å; G697-Y700 WeakPolarHBondContact O-CB 3.48Å; G697-Y700 PolarHBondContact O-N 3.05Å; G697-Y700 VanDerWaalsContact O-N 3.13Å; G697-L701 PolarHBondContact O-N 3.38Å |
| 698 | M | 97.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.2 | -32.8 | 176.1 | -71 | -53.2 | -55.4 | 0 | 0 | 113.6 | I694 S696 Y700 L701 S702 H708 L711 I726 D769 F842 | I694-M698 HydrophobicContact CG2-CG 4.42Å; I694-M698 WeakPolarHBondContact O-CB 3.35Å; I694-M698 WeakPolarHBondContact O-CG 3.3Å; I694-M698 PolarHBondContact O-N 3.38Å; S696-M698 PolarHBondContact O-N 3.08Å; M698-Y700 VanDerWaalsContact C-N 3.33Å; M698-L701 HydrophobicContact SD-CD1 3.96Å; M698-S702 WeakPolarHBondContact O-CB 3.2Å; M698-S702 PolarHBondContact O-N 2.99Å; M698-H708 HydrophobicContact CE-CB 3.9Å; M698-H708 HydrophobicContact SD-CB 4.2Å; M698-L711 HydrophobicContact CE-CD2 4.15Å; M698-L711 HydrophobicContact CG-CD1 4.31Å; M698-L711 HydrophobicContact CG-CD2 3.71Å; M698-L711 HydrophobicContact SD-CD1 3.93Å; M698-L711 HydrophobicContact SD-CD2 3.8Å; M698-L711 HydrophobicContact SD-CG 4.41Å; M698-I726 HydrophobicContact CG-CD1 3.59Å; M698-I726 HydrophobicContact SD-CD1 3.72Å; M698-D769 HydrophobicContact CE-CB 3.74Å; M698-F842 HydrophobicContact CB-CD1 3.46Å; M698-F842 VanDerWaalsContact CB-CD1 3.46Å; M698-F842 HydrophobicContact CB-CD2 3.98Å; M698-F842 HydrophobicContact CB-CE1 3.36Å; M698-F842 HydrophobicContact CB-CE2 3.88Å; M698-F842 HydrophobicContact CB-CG 3.78Å; M698-F842 HydrophobicContact CB-CZ 3.58Å; M698-F842 HydrophobicContact CE-CE2 3.84Å; M698-F842 HydrophobicContact CE-CZ 3.79Å; M698-F842 HydrophobicContact CG-CD1 4.43Å; M698-F842 HydrophobicContact CG-CE1 3.89Å; M698-F842 HydrophobicContact CG-CZ 3.97Å |
| 699 | K | 97.2 | Very high | 93 | Very high | 71 Ų | 71 | 31.2 Ų | 31.2 | 31% | 0.309 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -60.8 | -42.6 | 168.2 | 161.4 | -168.5 | 157.1 | 172 | 0 | 111.1 | A695 S696 G697 S702 S703 F842 | A695-K699 WeakPolarHBondContact O-CB 3.44Å; A695-K699 PolarHBondContact O-N 2.89Å; S696-K699 WeakPolarHBondContact O-CB 3.49Å; S696-K699 PolarHBondContact O-N 3.3Å; G697-K699 PolarHBondContact O-N 3.35Å; K699-S702 WeakPolarHBondContact O-CB 3.32Å; K699-S702 PolarHBondContact O-N 3.04Å; K699-S703 PolarHBondContact O-N 3.45Å; K699-F842 HydrophobicContact CB-CB 3.82Å |
| 700 | Y | 95.4 | Very high | 92.8 | Very high | 43 Ų | 43 | 26.5 Ų | 26.5 | 17% | 0.169 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.9 | -51.8 | 176.7 | 172.3 | -95.5 | 0 | 0 | 0 | 111.3 | L632 K633 D634 I637 S696 G697 M698 S702 S703 L704 | L632-Y700 HydrophobicContact CD2-CE1 4.15Å; K633-Y700 PolarHBondContact N-OH 3.25Å; K633-Y700 WeakPolarHBondContact O-CE2 3.33Å; K633-Y700 PolarHBondContact O-OH 3.26Å; D634-Y700 HydrophobicContact CB-CD1 3.59Å; D634-Y700 HydrophobicContact CB-CD2 3.75Å; D634-Y700 HydrophobicContact CB-CE1 3.88Å; D634-Y700 HydrophobicContact CB-CE2 4.02Å; D634-Y700 HydrophobicContact CB-CG 3.51Å; D634-Y700 WeakPolarHBondContact OD2-CB 3.29Å; I637-Y700 HydrophobicContact CG1-CD1 3.99Å; S696-Y700 PolarHBondContact O-N 3.31Å; G697-Y700 WeakPolarHBondContact O-CB 3.48Å; G697-Y700 PolarHBondContact O-N 3.05Å; G697-Y700 VanDerWaalsContact O-N 3.13Å; M698-Y700 VanDerWaalsContact C-N 3.33Å; Y700-S702 VanDerWaalsContact C-N 3.31Å; Y700-S702 PolarHBondContact O-N 3.01Å; Y700-S703 WeakPolarHBondContact O-CB 3.15Å; Y700-S703 PolarHBondContact O-N 3.36Å; Y700-S703 PolarHBondContact O-OG 3.24Å; Y700-L704 HydrophobicContact CD1-CD1 4.31Å; Y700-L704 HydrophobicContact CE1-CD1 3.6Å; Y700-L704 HydrophobicContact CE2-CD1 4.47Å; Y700-L704 PolarHBondContact O-N 2.83Å |
| 701 | L | 91.7 | Very high | 92.6 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.016 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.6 | -43.3 | 176.4 | -64.8 | -179 | 0 | 0 | 0 | 111.9 | L632 I637 G697 M698 S703 L704 N705 F706 | L632-L701 HydrophobicContact CD1-CD2 4.27Å; L632-L701 HydrophobicContact CD2-CD2 3.83Å; I637-L701 HydrophobicContact CD1-CD1 3.82Å; I637-L701 HydrophobicContact CD1-CD2 4.12Å; I637-L701 HydrophobicContact CD1-CG 3.8Å; I637-L701 HydrophobicContact CG1-CD2 4.36Å; I637-L701 HydrophobicContact CG1-CG 4.43Å; G697-L701 PolarHBondContact O-N 3.38Å; M698-L701 HydrophobicContact SD-CD1 3.96Å; L701-S703 VanDerWaalsContact C-N 3.25Å; L701-S703 PolarHBondContact O-N 2.8Å; L701-L704 PolarHBondContact O-N 3.05Å; L701-L704 VanDerWaalsContact O-N 3.08Å; L701-N705 PolarHBondContact O-N 3.02Å; L701-F706 HydrophobicContact CB-CB 4.16Å; L701-F706 HydrophobicContact CB-CD1 4.19Å; L701-F706 HydrophobicContact CD1-CD1 4.05Å; L701-F706 HydrophobicContact CD1-CE1 4.4Å; L701-F706 HydrophobicContact CD2-CB 4.36Å; L701-F706 HydrophobicContact CD2-CD1 3.81Å; L701-F706 HydrophobicContact CD2-CE1 4.33Å; L701-F706 HydrophobicContact CD2-CG 4.23Å; L701-F706 HydrophobicContact CG-CD1 4.23Å; L701-F706 WeakPolarHBondContact O-CB 3.42Å; L701-F706 PolarHBondContact O-N 3.12Å |
| 702 | S | 90.4 | Very high | 92.5 | Very high | 36 Ų | 36 | 26.5 Ų | 26.5 | 25% | 0.252 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -57.2 | -34.7 | 173.5 | 174 | 0 | 0 | 0 | 0 | 113.3 | M698 K699 Y700 L704 N705 T766 | M698-S702 WeakPolarHBondContact O-CB 3.2Å; M698-S702 PolarHBondContact O-N 2.99Å; K699-S702 WeakPolarHBondContact O-CB 3.32Å; K699-S702 PolarHBondContact O-N 3.04Å; Y700-S702 VanDerWaalsContact C-N 3.31Å; Y700-S702 PolarHBondContact O-N 3.01Å; S702-L704 VanDerWaalsContact C-N 3.29Å; S702-N705 PolarHBondContact O-N 3.39Å; S702-T766 VanDerWaalsContact OG-CG2 3.32Å; S702-T766 WeakPolarHBondContact OG-CG2 3.12Å |
| 703 | S | 90.3 | Very high | 92.4 | Very high | 82 Ų | 82 | 25.8 Ų | 25.8 | 57% | 0.573 | 14% | 0.136 | S | C | * | . | H | α-helix | trans | -74.5 | -19.9 | 179.1 | 76.8 | 0 | 0 | 0 | 0 | 113.3 | K699 Y700 L701 | K699-S703 PolarHBondContact O-N 3.45Å; Y700-S703 WeakPolarHBondContact O-CB 3.15Å; Y700-S703 PolarHBondContact O-N 3.36Å; Y700-S703 PolarHBondContact O-OG 3.24Å; L701-S703 VanDerWaalsContact C-N 3.25Å; L701-S703 PolarHBondContact O-N 2.8Å |
| 704 | L | 85.8 | Confident | 92.1 | Very high | 66 Ų | 66 | 25.1 Ų | 25.1 | 35% | 0.346 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 6.4 | 172.6 | -58.5 | -178.7 | 0 | 0 | 0 | 113.2 | L632 Y700 L701 S702 F706 | L632-L704 HydrophobicContact CD2-CD1 3.86Å; Y700-L704 HydrophobicContact CD1-CD1 4.31Å; Y700-L704 HydrophobicContact CE1-CD1 3.6Å; Y700-L704 HydrophobicContact CE2-CD1 4.47Å; Y700-L704 PolarHBondContact O-N 2.83Å; L701-L704 PolarHBondContact O-N 3.05Å; L701-L704 VanDerWaalsContact O-N 3.08Å; S702-L704 VanDerWaalsContact C-N 3.29Å; L704-F706 HydrophobicContact CB-CB 4.41Å; L704-F706 PolarHBondContact O-N 3.28Å; L704-F706 VanDerWaalsContact O-N 3.16Å |
| 705 | N | 81.6 | Confident | 91.8 | Very high | 104 Ų | 104 | 25.1 Ų | 25.1 | 56% | 0.556 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 26.7 | -167.6 | -61.6 | 111.9 | 0 | 0 | 0 | 113.8 | L701 S702 | L701-N705 PolarHBondContact O-N 3.02Å; S702-N705 PolarHBondContact O-N 3.39Å |
| 706 | F | 83.3 | Confident | 91.6 | Very high | 16 Ų | 16 | 25.1 Ų | 25.1 | 7% | 0.07 | 13% | 0.133 | C | C | . | . | trans | -82.6 | 143.1 | 174.3 | -166.1 | -91.8 | 0 | 0 | 0 | 110.1 | I628 L701 L704 | I628-F706 HydrophobicContact CG2-CE2 3.54Å; I628-F706 HydrophobicContact CG2-CZ 3.84Å; L701-F706 HydrophobicContact CB-CB 4.16Å; L701-F706 HydrophobicContact CB-CD1 4.19Å; L701-F706 HydrophobicContact CD1-CD1 4.05Å; L701-F706 HydrophobicContact CD1-CE1 4.4Å; L701-F706 HydrophobicContact CD2-CB 4.36Å; L701-F706 HydrophobicContact CD2-CD1 3.81Å; L701-F706 HydrophobicContact CD2-CE1 4.33Å; L701-F706 HydrophobicContact CD2-CG 4.23Å; L701-F706 HydrophobicContact CG-CD1 4.23Å; L701-F706 WeakPolarHBondContact O-CB 3.42Å; L701-F706 PolarHBondContact O-N 3.12Å; L704-F706 HydrophobicContact CB-CB 4.41Å; L704-F706 PolarHBondContact O-N 3.28Å; L704-F706 VanDerWaalsContact O-N 3.16Å | ||
| 707 | V | 86.8 | Confident | 91.4 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.024 | 13% | 0.126 | C | C | . | . | trans | -125.8 | 121.2 | -178.1 | -175.9 | 0 | 0 | 0 | 0 | 108.2 | A542 R709 F764 D769 | A542-V707 HydrophobicContact CB-CG2 4.09Å; V707-R709 HydrophobicContact CG1-CG 3.89Å; V707-F764 HydrophobicContact CG1-CB 4.28Å; V707-D769 VanDerWaalsContact CA-OD2 3.24Å; V707-D769 WeakPolarHBondContact CA-OD2 3.38Å; V707-D769 WeakPolarHBondContact CG1-OD2 3.45Å | ||
| 708 | H | 89.1 | Confident | 91.3 | Very high | 7 Ų | 7 | 24.2 Ų | 24.2 | 3% | 0.032 | 13% | 0.126 | C | C | . | . | trans | -79.5 | -37 | -170.3 | -165.8 | -80.6 | 0 | 0 | 0 | 113 | M698 D710 L711 I726 D769 | M698-H708 HydrophobicContact CE-CB 3.9Å; M698-H708 HydrophobicContact SD-CB 4.2Å; H708-D710 PolarHBondContact CE1-O 3.36Å; H708-D710 VanDerWaalsContact CE1-O 3.31Å; H708-D710 VanDerWaalsContact ND1-C 3.33Å; H708-D710 PolarHBondContact ND1-O 3.38Å; H708-D710 PolarHBondContact O-N 3.22Å; H708-L711 PolarHBondContact ND1-N 3.1Å; H708-I726 WeakPolarHBondContact NE2-CG2 3.43Å; H708-D769 PolarHBondContact N-OD1 2.88Å; H708-D769 PolarHBondContact N-OD2 2.92Å | ||
| 709 | R | 88.6 | Confident | 91 | Very high | 64 Ų | 64 | 24.4 Ų | 24.4 | 24% | 0.242 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 65 | -31 | 176.8 | -44.4 | -169.5 | -169.6 | -157 | -2.1 | 117.3 | Y538 V540 V707 F764 D769 | Y538-R709 WeakPolarHBondContact O-CD 3.33Å; V540-R709 PolarHBondContact O-NH2 3.12Å; V707-R709 HydrophobicContact CG1-CG 3.89Å; R709-F764 HydrophobicContact CB-CD1 3.74Å; R709-F764 HydrophobicContact CB-CE1 4.11Å; R709-F764 HydrophobicContact CG-CB 4.01Å; R709-F764 HydrophobicContact CG-CD1 3.75Å; R709-F764 HydrophobicContact CG-CG 4.04Å; R709-D769 PolarHBondContact N-OD1 3.49Å |
| 710 | D | 89.8 | Confident | 90.6 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.016 | 14% | 0.141 | C | C | . | . | trans | -124.9 | 50.4 | -178.9 | -160.7 | -9.9 | 0 | 0 | 0 | 110.6 | H708 R714 N715 R733 Y740 | H708-D710 PolarHBondContact CE1-O 3.36Å; H708-D710 VanDerWaalsContact CE1-O 3.31Å; H708-D710 VanDerWaalsContact ND1-C 3.33Å; H708-D710 PolarHBondContact ND1-O 3.38Å; H708-D710 PolarHBondContact O-N 3.22Å; D710-R714 IonicContact OD1-CZ 3.18Å; D710-R714 IonicContact OD1-NE 3.15Å; D710-R714 IonicContact OD1-NH2 2.69Å; D710-R714 PolarHBondContact OD1-NH2 2.95Å; D710-N715 PolarHBondContact O-ND2 2.9Å; D710-N715 PolarHBondContact OD1-ND2 2.8Å; D710-R733 IonicContact OD2-CZ 2.77Å; D710-R733 IonicContact OD2-NE 3.78Å; D710-R733 IonicContact OD2-NH2 3.95Å; D710-R733 PolarHBondContact OD2-NH2 3.14Å; D710-Y740 PolarHBondContact OD1-OH 2.66Å; D710-Y740 VanDerWaalsContact OD2-CE1 3.29Å; D710-Y740 WeakPolarHBondContact OD2-CE1 3.36Å; D710-Y740 PolarHBondContact OD2-OH 3.05Å | ||
| 711 | L | 94.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -83.1 | 118.1 | 178.8 | -179.5 | 67.1 | 0 | 0 | 0 | 110.3 | I694 M698 H708 I726 A772 F773 T776 | I694-L711 HydrophobicContact CG2-CD1 4.3Å; M698-L711 HydrophobicContact CE-CD2 4.15Å; M698-L711 HydrophobicContact CG-CD1 4.31Å; M698-L711 HydrophobicContact CG-CD2 3.71Å; M698-L711 HydrophobicContact SD-CD1 3.93Å; M698-L711 HydrophobicContact SD-CD2 3.8Å; M698-L711 HydrophobicContact SD-CG 4.41Å; H708-L711 PolarHBondContact ND1-N 3.1Å; L711-I726 HydrophobicContact CD1-CD1 4.36Å; L711-I726 HydrophobicContact CD1-CG2 3.98Å; L711-A772 HydrophobicContact CB-CB 4.09Å; L711-F773 HydrophobicContact CD2-CB 3.8Å; L711-F773 HydrophobicContact CD2-CD2 4.39Å; L711-T776 PolarHBondContact O-OG1 3.4Å | ||
| 712 | A | 95.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -159.7 | 166.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | R714 N715 W753 | A712-R714 VanDerWaalsContact C-N 3.29Å; A712-R714 HydrophobicContact CB-CG 3.8Å; A712-R714 VanDerWaalsContact CB-CZ 3.44Å; A712-R714 PolarHBondContact O-N 3.2Å; A712-N715 PolarHBondContact O-N 3.41Å; A712-N715 VanDerWaalsContact O-N 3.07Å; A712-W753 HydrophobicContact CB-CD2 4.24Å; A712-W753 HydrophobicContact CB-CG 4.24Å; A712-W753 HydrophobicContact CB-CZ2 4.3Å; A712-W753 VanDerWaalsContact CB-NE1 3.34Å |
| 713 | T | 95.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -62.1 | -35.4 | 179.1 | 60.1 | 0 | 0 | 0 | 0 | 113.1 | L662 N663 N715 C716 T776 E779 C784 | L662-T713 HydrophobicContact CD2-CG2 4.14Å; L662-T713 HydrophobicContact CG-CG2 4.34Å; N663-T713 WeakPolarHBondContact CB-OG1 3.4Å; N663-T713 PolarHBondContact ND2-OG1 3.25Å; T713-N715 PolarHBondContact O-N 3.43Å; T713-C716 PolarHBondContact O-N 3.45Å; T713-T776 HydrophobicContact CG2-CG2 3.94Å; T713-E779 WeakPolarHBondContact CB-OE1 3.29Å; T713-E779 HydrophobicContact CG2-CB 3.51Å; T713-E779 HydrophobicContact CG2-CG 4.22Å; T713-E779 WeakPolarHBondContact CG2-OE1 3.41Å; T713-E779 PolarHBondContact N-OE1 2.87Å; T713-E779 PolarHBondContact N-OE2 2.87Å; T713-E779 PolarHBondContact OG1-OE1 3.35Å; T713-C784 PolarHBondContact OG1-SG 2.88Å |
| 714 | R | 91.6 | Very high | 91.1 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 1% | 0.011 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -56.9 | -18.3 | 173.1 | 60.4 | 170.9 | -176.7 | -78.3 | -16.3 | 115.1 | N663 D710 A712 Y736 D739 Y740 W753 | N663-R714 HydrophobicContact CB-CB 4.44Å; D710-R714 IonicContact OD1-CZ 3.18Å; D710-R714 IonicContact OD1-NE 3.15Å; D710-R714 IonicContact OD1-NH2 2.69Å; D710-R714 PolarHBondContact OD1-NH2 2.95Å; A712-R714 VanDerWaalsContact C-N 3.29Å; A712-R714 HydrophobicContact CB-CG 3.8Å; A712-R714 VanDerWaalsContact CB-CZ 3.44Å; A712-R714 PolarHBondContact O-N 3.2Å; R714-Y736 HydrophobicContact CB-CD1 4.28Å; R714-Y736 HydrophobicContact CB-CD2 3.59Å; R714-Y736 HydrophobicContact CB-CE1 4.26Å; R714-Y736 HydrophobicContact CB-CE2 3.54Å; R714-Y736 HydrophobicContact CB-CG 3.98Å; R714-Y736 HydrophobicContact CG-CD2 4.38Å; R714-D739 IonicContact CZ-OD2 2.7Å; R714-D739 IonicContact NE-OD2 2.77Å; R714-D739 IonicContact NH1-OD2 3.62Å; R714-D739 PolarHBondContact NH1-OD2 2.95Å; R714-Y740 PolarHBondContact NE-OH 2.83Å; R714-W753 VanDerWaalsContact NH1-CZ2 3.27Å |
| 715 | N | 91.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -112.6 | 20.3 | -179.5 | -67.7 | -18.1 | 0 | 0 | 0 | 111.9 | D710 A712 T713 A727 S732 | D710-N715 PolarHBondContact O-ND2 2.9Å; D710-N715 PolarHBondContact OD1-ND2 2.8Å; A712-N715 PolarHBondContact O-N 3.41Å; A712-N715 VanDerWaalsContact O-N 3.07Å; T713-N715 PolarHBondContact O-N 3.43Å; N715-A727 PolarHBondContact O-N 2.95Å; N715-A727 VanDerWaalsContact O-O 3.1Å; N715-S732 PolarHBondContact OD1-OG 3.08Å |
| 716 | C | 94.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 130.2 | 170.9 | -63.7 | 0 | 0 | 0 | 0 | 108.9 | D661 L662 T713 I724 | D661-C716 CarbonylContact C-O 3.58Å; D661-C716 WeakPolarHBondContact CA-O 3.4Å; L662-C716 HydrophobicContact CB-CB 4.02Å; L662-C716 WeakPolarHBondContact CB-O 3.24Å; L662-C716 HydrophobicContact CD2-CB 4.12Å; L662-C716 PolarHBondContact N-O 2.86Å; T713-C716 PolarHBondContact O-N 3.45Å; C716-I724 HydrophobicContact CB-CG2 4.04Å |
| 717 | L | 93.1 | Very high | 92.2 | Very high | 5 Ų | 5 | 23.7 Ų | 23.7 | 3% | 0.026 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 150.7 | 176.7 | -64.2 | -171.4 | 0 | 0 | 0 | 112.5 | Y521 I638 M657 G660 D661 I724 K725 F729 | Y521-L717 HydrophobicContact CE1-CD1 4.01Å; Y521-L717 HydrophobicContact CE1-CD2 4.14Å; I638-L717 HydrophobicContact CD1-CD1 4.24Å; M657-L717 HydrophobicContact CB-CB 3.72Å; M657-L717 HydrophobicContact CB-CD1 3.86Å; M657-L717 HydrophobicContact CB-CG 4.4Å; M657-L717 HydrophobicContact CE-CB 4.11Å; M657-L717 WeakPolarHBondContact CE-O 3.48Å; M657-L717 HydrophobicContact CG-CB 3.69Å; M657-L717 HydrophobicContact CG-CD1 3.74Å; M657-L717 HydrophobicContact CG-CG 4.4Å; G660-L717 WeakPolarHBondContact O-CA 3.36Å; D661-L717 HydrophobicContact CB-CD2 4.11Å; L717-I724 WeakPolarHBondContact O-CA 3.47Å; L717-K725 PolarHBondContact N-O 3.06Å; L717-K725 PolarHBondContact O-N 3.03Å; L717-F729 HydrophobicContact CD1-CE2 3.54Å; L717-F729 HydrophobicContact CD1-CZ 4.01Å; L717-F729 HydrophobicContact CD2-CD2 4.49Å; L717-F729 HydrophobicContact CD2-CE2 4.05Å; L717-F729 HydrophobicContact CG-CE2 3.77Å |
| 718 | V | 94.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 122.9 | -178.8 | -168.4 | 0 | 0 | 0 | 0 | 110.8 | M657 N659 G660 L662 F665 I724 | M657-V718 CarbonylContact C-O 3.58Å; N659-V718 HydrophobicContact CB-CB 3.82Å; N659-V718 HydrophobicContact CB-CG1 3.86Å; N659-V718 WeakPolarHBondContact CB-O 3.45Å; N659-V718 PolarHBondContact N-O 3Å; G660-V718 PolarHBondContact O-N 2.7Å; L662-V718 HydrophobicContact CB-CG2 3.89Å; L662-V718 HydrophobicContact CD1-CG2 3.69Å; L662-V718 HydrophobicContact CG-CG2 4.41Å; F665-V718 HydrophobicContact CB-CB 4.5Å; F665-V718 HydrophobicContact CB-CG2 3.84Å; F665-V718 HydrophobicContact CD1-CG1 4.2Å; F665-V718 HydrophobicContact CD1-CG2 4.2Å; F665-V718 HydrophobicContact CD2-CB 4.42Å; F665-V718 HydrophobicContact CD2-CG1 4.13Å; F665-V718 HydrophobicContact CE1-CG1 4.26Å; F665-V718 HydrophobicContact CE2-CG1 4.18Å; F665-V718 HydrophobicContact CG-CB 4.29Å; F665-V718 HydrophobicContact CG-CG1 4.13Å; F665-V718 HydrophobicContact CG-CG2 3.96Å; F665-V718 HydrophobicContact CZ-CG1 4.25Å; V718-I724 HydrophobicContact CB-CD1 4.34Å; V718-I724 HydrophobicContact CG1-CD1 4.25Å; V718-I724 HydrophobicContact CG2-CD1 3.82Å |
| 719 | G | 91.5 | Very high | 89.6 | Confident | 5 Ų | 5 | 25.9 Ų | 25.9 | 5% | 0.052 | 13% | 0.125 | C | C | . | . | trans | -106.1 | -159.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N659 T723 | N659-G719 PolarHBondContact ND2-O 2.92Å; G719-T723 PolarHBondContact N-O 3.39Å | ||
| 720 | K | 88.7 | Confident | 87.9 | Confident | 132 Ų | 132 | 23.5 Ų | 23.5 | 57% | 0.574 | 12% | 0.12 | S | C | * | . | G | 310 helix | trans | -59.7 | 147.8 | 173.5 | -74.7 | 173.6 | -173.5 | -178.6 | 0 | 111.4 | E658 Y722 T723 | E658-K720 HydrophobicContact CG-CG 4.47Å; E658-K720 WeakPolarHBondContact OE1-CE 3.42Å; E658-K720 WeakPolarHBondContact OE1-CG 3.3Å; E658-K720 WeakPolarHBondContact OE2-CE 3.41Å; E658-K720 IonicContact OE2-NZ 3.93Å; K720-Y722 VanDerWaalsContact C-N 3.25Å; K720-Y722 PolarHBondContact O-N 2.9Å; K720-T723 VanDerWaalsContact O-CB 3.28Å; K720-T723 WeakPolarHBondContact O-CB 3.49Å; K720-T723 PolarHBondContact O-N 2.81Å; K720-T723 PolarHBondContact O-OG1 3.34Å |
| 721 | N | 90.7 | Very high | 85.9 | Confident | 142 Ų | 142 | 24.3 Ų | 24.3 | 76% | 0.759 | 12% | 0.124 | S | C | * | . | G | 310 helix | trans | 53.2 | 36 | 172.7 | -54.7 | -25.8 | 0 | 0 | 0 | 114.5 | T723 | N721-T723 VanDerWaalsContact C-N 3.25Å; N721-T723 PolarHBondContact O-N 2.94Å |
| 722 | Y | 93.9 | Very high | 84 | Confident | 63 Ų | 63 | 24.6 Ų | 24.6 | 25% | 0.247 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | 59.5 | 28.9 | -174.9 | -50.7 | -88.3 | 0 | 0 | 0 | 114.4 | F665 V682 N686 M690 Q693 K720 I724 | F665-Y722 AromaticContact CE1-CD1 3.85Å; F665-Y722 HydrophobicContact CE1-CD1 3.85Å; F665-Y722 AromaticContact CE1-CE1 3.81Å; F665-Y722 HydrophobicContact CE1-CE1 3.81Å; F665-Y722 AromaticContact CZ-CD1 3.94Å; F665-Y722 HydrophobicContact CZ-CD1 3.94Å; F665-Y722 AromaticContact CZ-CE1 3.72Å; F665-Y722 HydrophobicContact CZ-CE1 3.72Å; V682-Y722 HydrophobicContact CG1-CE1 4.21Å; V682-Y722 HydrophobicContact CG2-CE1 4.09Å; N686-Y722 WeakPolarHBondContact ND2-CE2 3.42Å; M690-Y722 HydrophobicContact CE-CD1 4.21Å; M690-Y722 HydrophobicContact SD-CD1 3.83Å; M690-Y722 HydrophobicContact SD-CG 4.42Å; Q693-Y722 PolarHBondContact NE2-O 2.7Å; K720-Y722 VanDerWaalsContact C-N 3.25Å; K720-Y722 PolarHBondContact O-N 2.9Å; Y722-I724 PolarHBondContact O-N 3.07Å |
| 723 | T | 95.4 | Very high | 82.2 | Confident | 51 Ų | 51 | 26 Ų | 26 | 31% | 0.313 | 13% | 0.131 | S | C | . | . | trans | -67.1 | 127.2 | 172.2 | -54.8 | 0 | 0 | 0 | 0 | 109.8 | Q693 G719 K720 N721 | Q693-T723 VanDerWaalsContact OE1-CA 3.31Å; G719-T723 PolarHBondContact N-O 3.39Å; K720-T723 VanDerWaalsContact O-CB 3.28Å; K720-T723 WeakPolarHBondContact O-CB 3.49Å; K720-T723 PolarHBondContact O-N 2.81Å; K720-T723 PolarHBondContact O-OG1 3.34Å; N721-T723 VanDerWaalsContact C-N 3.25Å; N721-T723 PolarHBondContact O-N 2.94Å | ||
| 724 | I | 97 | Very high | 80.5 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 136 | 179.1 | -56.2 | -59 | 0 | 0 | 0 | 111.3 | N636 L662 M690 Q693 I694 C716 L717 V718 Y722 | N636-I724 WeakPolarHBondContact CA-O 3.45Å; N636-I724 PolarHBondContact ND2-O 2.86Å; L662-I724 HydrophobicContact CD1-CD1 3.99Å; L662-I724 HydrophobicContact CD2-CD1 4.4Å; M690-I724 HydrophobicContact CB-CD1 4.1Å; M690-I724 HydrophobicContact CB-CG1 3.69Å; M690-I724 HydrophobicContact CG-CD1 3.79Å; M690-I724 HydrophobicContact CG-CG1 3.69Å; M690-I724 HydrophobicContact SD-CD1 3.88Å; M690-I724 HydrophobicContact SD-CG1 4.45Å; Q693-I724 HydrophobicContact CB-CB 4.01Å; Q693-I724 HydrophobicContact CB-CG1 4.45Å; I694-I724 HydrophobicContact CD1-CG2 4.33Å; I694-I724 HydrophobicContact CG1-CG2 3.67Å; C716-I724 HydrophobicContact CB-CG2 4.04Å; L717-I724 WeakPolarHBondContact O-CA 3.47Å; V718-I724 HydrophobicContact CB-CD1 4.34Å; V718-I724 HydrophobicContact CG1-CD1 4.25Å; V718-I724 HydrophobicContact CG2-CD1 3.82Å; Y722-I724 PolarHBondContact O-N 3.07Å |
| 725 | K | 94.9 | Very high | 79.3 | Confident | 12 Ų | 12 | 32.7 Ų | 32.7 | 5% | 0.052 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 127.6 | 168.7 | -73.3 | 166.6 | 166 | -91.6 | 0 | 111.5 | P635 N636 I637 I638 E655 M657 L717 | P635-K725 WeakPolarHBondContact O-CE 3.36Å; P635-K725 WeakPolarHBondContact O-CG 3.47Å; P635-K725 PolarHBondContact O-NZ 3.31Å; N636-K725 WeakPolarHBondContact O-CA 3.43Å; I637-K725 PolarHBondContact O-NZ 2.82Å; I638-K725 HydrophobicContact CD1-CD 4.48Å; E655-K725 VanDerWaalsContact CD-CD 3.47Å; E655-K725 VanDerWaalsContact CD-NZ 3.3Å; E655-K725 HydrophobicContact CG-CD 4.38Å; E655-K725 WeakPolarHBondContact OE1-CD 3.4Å; E655-K725 VanDerWaalsContact OE1-CE 3.25Å; E655-K725 WeakPolarHBondContact OE1-CE 3.45Å; E655-K725 IonicContact OE1-NZ 2.84Å; E655-K725 PolarHBondContact OE1-NZ 3.05Å; E655-K725 WeakPolarHBondContact OE2-CD 3.46Å; E655-K725 WeakPolarHBondContact OE2-CE 3.42Å; E655-K725 IonicContact OE2-NZ 3.64Å; E655-K725 PolarHBondContact OE2-NZ 2.83Å; M657-K725 HydrophobicContact CE-CB 3.97Å; M657-K725 HydrophobicContact CE-CD 3.91Å; M657-K725 HydrophobicContact CE-CG 4.07Å; M657-K725 HydrophobicContact SD-CD 3.9Å; L717-K725 PolarHBondContact N-O 3.06Å; L717-K725 PolarHBondContact O-N 3.03Å |
| 726 | I | 94 | Very high | 78.6 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 140.3 | 175.5 | -48.4 | 175 | 0 | 0 | 0 | 109.2 | N636 I637 I638 I694 M698 H708 L711 | N636-I726 PolarHBondContact O-N 3.46Å; I637-I726 HydrophobicContact CD1-CB 3.95Å; I637-I726 HydrophobicContact CD1-CD1 4.19Å; I637-I726 HydrophobicContact CD1-CG1 4.36Å; I638-I726 PolarHBondContact N-O 3.37Å; I694-I726 HydrophobicContact CG2-CD1 3.94Å; I694-I726 HydrophobicContact CG2-CG1 4.39Å; M698-I726 HydrophobicContact CG-CD1 3.59Å; M698-I726 HydrophobicContact SD-CD1 3.72Å; H708-I726 WeakPolarHBondContact NE2-CG2 3.43Å; L711-I726 HydrophobicContact CD1-CD1 4.36Å; L711-I726 HydrophobicContact CD1-CG2 3.98Å |
| 727 | A | 85.5 | Confident | 77.8 | Confident | 3 Ų | 3 | 36.8 Ų | 36.8 | 3% | 0.025 | 19% | 0.191 | C | C | . | . | trans | -148.5 | 137.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | I638 N715 F729 | I638-A727 HydrophobicContact CB-CB 3.95Å; I638-A727 HydrophobicContact CG2-CB 3.57Å; N715-A727 PolarHBondContact O-N 2.95Å; N715-A727 VanDerWaalsContact O-O 3.1Å; A727-F729 HydrophobicContact CB-CD2 3.55Å; A727-F729 HydrophobicContact CB-CE1 4.33Å; A727-F729 HydrophobicContact CB-CE2 3.15Å; A727-F729 HydrophobicContact CB-CG 4.28Å; A727-F729 HydrophobicContact CB-CZ 3.62Å; A727-F729 PolarHBondContact O-N 2.97Å; A727-F729 VanDerWaalsContact O-N 3.1Å | ||
| 728 | D | 68.1 | Low | 77.1 | Confident | 31 Ų | 31 | 39 Ų | 39 | 17% | 0.166 | 22% | 0.216 | C | C | . | . | trans | -86.4 | 71.8 | 176.6 | -172.9 | 10.1 | 0 | 0 | 0 | 111.6 | S539 G730 | S539-D728 WeakPolarHBondContact CB-OD2 3.48Å; S539-D728 PolarHBondContact N-OD2 3.41Å; S539-D728 PolarHBondContact OG-OD2 3.47Å; D728-G730 PolarHBondContact O-N 3.46Å | ||
| 729 | F | 52.6 | Low | 76.6 | Confident | 27 Ų | 27 | 39.8 Ų | 39.8 | 12% | 0.118 | 22% | 0.22 | C | C | . | . | trans | -91.5 | 86.5 | 174.5 | -60.4 | -51.2 | 0 | 0 | 0 | 111.5 | L717 A727 M731 S732 | L717-F729 HydrophobicContact CD1-CE2 3.54Å; L717-F729 HydrophobicContact CD1-CZ 4.01Å; L717-F729 HydrophobicContact CD2-CD2 4.49Å; L717-F729 HydrophobicContact CD2-CE2 4.05Å; L717-F729 HydrophobicContact CG-CE2 3.77Å; A727-F729 HydrophobicContact CB-CD2 3.55Å; A727-F729 HydrophobicContact CB-CE1 4.33Å; A727-F729 HydrophobicContact CB-CE2 3.15Å; A727-F729 HydrophobicContact CB-CG 4.28Å; A727-F729 HydrophobicContact CB-CZ 3.62Å; A727-F729 PolarHBondContact O-N 2.97Å; A727-F729 VanDerWaalsContact O-N 3.1Å; F729-M731 HydrophobicContact CB-CE 3.94Å; F729-M731 HydrophobicContact CD1-CE 3.43Å; F729-M731 VanDerWaalsContact CD1-CE 3.43Å; F729-M731 HydrophobicContact CE1-CE 4.26Å; F729-M731 HydrophobicContact CG-CE 3.97Å; F729-M731 PolarHBondContact O-N 3Å; F729-S732 PolarHBondContact O-N 2.86Å; F729-S732 VanDerWaalsContact O-N 3.08Å; F729-S732 PolarHBondContact O-OG 2.71Å | ||
| 730 | G | 53.2 | Low | 76.2 | Confident | 14 Ų | 14 | 40 Ų | 40 | 14% | 0.144 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 22.7 | 165 | 0 | 0 | 0 | 0 | 0 | 115.9 | D728 | D728-G730 PolarHBondContact O-N 3.46Š|
| 731 | M | 48.9 | Very low | 75.9 | Confident | 19 Ų | 19 | 36.4 Ų | 36.4 | 9% | 0.094 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | -23.6 | 177.6 | -56.5 | 171.4 | -64.5 | 0 | 0 | 111 | V577 K608 F729 R733 N734 | V577-M731 HydrophobicContact CG2-CE 3.29Å; V577-M731 HydrophobicContact CG2-SD 3.45Å; V577-M731 WeakPolarHBondContact CG2-SD 3.48Å; K608-M731 HydrophobicContact CD-CE 4.23Å; K608-M731 HydrophobicContact CD-SD 4.39Å; K608-M731 VanDerWaalsContact CE-SD 3.6Å; K608-M731 HydrophobicContact CG-CE 4.33Å; K608-M731 HydrophobicContact CG-SD 4.2Å; F729-M731 HydrophobicContact CB-CE 3.94Å; F729-M731 HydrophobicContact CD1-CE 3.43Å; F729-M731 VanDerWaalsContact CD1-CE 3.43Å; F729-M731 HydrophobicContact CE1-CE 4.26Å; F729-M731 HydrophobicContact CG-CE 3.97Å; F729-M731 PolarHBondContact O-N 3Å; M731-R733 PolarHBondContact O-N 3.15Å; M731-R733 VanDerWaalsContact O-N 3.1Å; M731-N734 PolarHBondContact O-N 3.2Å |
| 732 | S | 53.4 | Low | 74.7 | Confident | 6 Ų | 6 | 36.5 Ų | 36.5 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -55.7 | -28.2 | 171.9 | 62.2 | 0 | 0 | 0 | 0 | 112 | N715 F729 N734 L735 Y736 | N715-S732 PolarHBondContact OD1-OG 3.08Å; F729-S732 PolarHBondContact O-N 2.86Å; F729-S732 VanDerWaalsContact O-N 3.08Å; F729-S732 PolarHBondContact O-OG 2.71Å; S732-N734 PolarHBondContact O-N 3.31Å; S732-N734 VanDerWaalsContact O-N 3.1Å; S732-L735 PolarHBondContact O-N 3.47Å; S732-Y736 VanDerWaalsContact O-CD2 3.3Å; S732-Y736 WeakPolarHBondContact O-CD2 3.28Å; S732-Y736 PolarHBondContact O-N 3.1Å |
| 733 | R | 57 | Low | 73 | Confident | 29 Ų | 29 | 35.8 Ų | 35.8 | 11% | 0.109 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.9 | -21 | -177.4 | -59 | -172.2 | 167.5 | -172.8 | -6 | 116.8 | Y538 D710 M731 S737 Y740 | Y538-R733 VanDerWaalsContact CD1-NH2 3.3Å; Y538-R733 VanDerWaalsContact CG-NH2 3.27Å; D710-R733 IonicContact OD2-CZ 2.77Å; D710-R733 IonicContact OD2-NE 3.78Å; D710-R733 IonicContact OD2-NH2 3.95Å; D710-R733 PolarHBondContact OD2-NH2 3.14Å; M731-R733 PolarHBondContact O-N 3.15Å; M731-R733 VanDerWaalsContact O-N 3.1Å; R733-S737 VanDerWaalsContact O-CA 3.26Å; R733-S737 WeakPolarHBondContact O-CA 3.36Å; R733-S737 WeakPolarHBondContact O-CB 3.4Å; R733-S737 PolarHBondContact O-N 2.91Å; R733-Y740 HydrophobicContact CB-CD2 4.46Å; R733-Y740 HydrophobicContact CB-CE2 4.24Å; R733-Y740 HydrophobicContact CG-CD2 4.3Å; R733-Y740 HydrophobicContact CG-CE1 4.18Å; R733-Y740 HydrophobicContact CG-CE2 3.74Å |
| 734 | N | 60.4 | Low | 70.5 | Confident | 69 Ų | 69 | 41.7 Ų | 41.7 | 37% | 0.369 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -79.2 | -52.5 | 176.2 | -72.4 | -17.4 | 0 | 0 | 0 | 110.6 | A524 E571 M731 S732 S737 | A524-N734 HydrophobicContact CB-CB 4.01Å; E571-N734 PolarHBondContact O-ND2 3.04Å; M731-N734 PolarHBondContact O-N 3.2Å; S732-N734 PolarHBondContact O-N 3.31Å; S732-N734 VanDerWaalsContact O-N 3.1Å; N734-S737 WeakPolarHBondContact O-CB 3.45Å; N734-S737 PolarHBondContact O-OG 2.87Å |
| 735 | L | 66.1 | Low | 67.9 | Low | 76 Ų | 76 | 45.8 Ų | 45.8 | 40% | 0.398 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.8 | -51.7 | 175.8 | 178.5 | 63.5 | 0 | 0 | 0 | 111.4 | A522 S732 S737 | A522-L735 HydrophobicContact CB-CB 3.92Å; A522-L735 HydrophobicContact CB-CD2 3.82Å; S732-L735 PolarHBondContact O-N 3.47Å; L735-S737 PolarHBondContact O-N 3.1Å |
| 736 | Y | 76.8 | Confident | 65.8 | Low | 26 Ų | 26 | 53.6 Ų | 53.6 | 10% | 0.102 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 31.9 | -179.4 | -58.9 | -76.5 | 0 | 0 | 0 | 112.5 | D661 N663 Q664 R714 S732 G738 D739 Y740 | D661-Y736 PolarHBondContact OD1-OH 3.45Å; D661-Y736 VanDerWaalsContact OD1-OH 3.04Å; D661-Y736 PolarHBondContact OD2-OH 3.41Å; N663-Y736 HydrophobicContact CB-CE1 4.16Å; N663-Y736 WeakPolarHBondContact OD1-CE1 3.38Å; Q664-Y736 WeakPolarHBondContact CG-OH 3.35Å; R714-Y736 HydrophobicContact CB-CD1 4.28Å; R714-Y736 HydrophobicContact CB-CD2 3.59Å; R714-Y736 HydrophobicContact CB-CE1 4.26Å; R714-Y736 HydrophobicContact CB-CE2 3.54Å; R714-Y736 HydrophobicContact CB-CG 3.98Å; R714-Y736 HydrophobicContact CG-CD2 4.38Å; S732-Y736 VanDerWaalsContact O-CD2 3.3Å; S732-Y736 WeakPolarHBondContact O-CD2 3.28Å; S732-Y736 PolarHBondContact O-N 3.1Å; Y736-G738 PolarHBondContact O-N 3.07Å; Y736-G738 VanDerWaalsContact O-N 3.11Å; Y736-D739 WeakPolarHBondContact O-CB 3.43Å; Y736-D739 PolarHBondContact O-N 2.88Å; Y736-Y740 WeakPolarHBondContact O-CD2 3.46Å |
| 737 | S | 77.1 | Confident | 64.1 | Low | 60 Ų | 60 | 55.7 Ų | 55.7 | 42% | 0.42 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -59.4 | -26.7 | -173.7 | 49.7 | 0 | 0 | 0 | 0 | 114.2 | R733 N734 L735 D739 Y740 | R733-S737 VanDerWaalsContact O-CA 3.26Å; R733-S737 WeakPolarHBondContact O-CA 3.36Å; R733-S737 WeakPolarHBondContact O-CB 3.4Å; R733-S737 PolarHBondContact O-N 2.91Å; N734-S737 WeakPolarHBondContact O-CB 3.45Å; N734-S737 PolarHBondContact O-OG 2.87Å; L735-S737 PolarHBondContact O-N 3.1Å; S737-D739 VanDerWaalsContact C-N 3.27Å; S737-D739 PolarHBondContact O-N 3.16Å; S737-Y740 PolarHBondContact O-N 3.43Å |
| 738 | G | 79.3 | Confident | 63.5 | Low | 52 Ų | 52 | 57.2 Ų | 57.2 | 54% | 0.536 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -72.5 | -7.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y736 Y740 Q787 | Y736-G738 PolarHBondContact O-N 3.07Å; Y736-G738 VanDerWaalsContact O-N 3.11Å; G738-Y740 VanDerWaalsContact C-N 3.32Å; G738-Q787 PolarHBondContact O-NE2 3.03Å |
| 739 | D | 84.2 | Confident | 64.2 | Low | 16 Ų | 16 | 57.2 Ų | 57.2 | 9% | 0.086 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -83.1 | -11.1 | 171.3 | -72.5 | -14.1 | 0 | 0 | 0 | 112.7 | R714 Y736 S737 P750 W753 Q787 | R714-D739 IonicContact CZ-OD2 2.7Å; R714-D739 IonicContact NE-OD2 2.77Å; R714-D739 IonicContact NH1-OD2 3.62Å; R714-D739 PolarHBondContact NH1-OD2 2.95Å; Y736-D739 WeakPolarHBondContact O-CB 3.43Å; Y736-D739 PolarHBondContact O-N 2.88Å; S737-D739 VanDerWaalsContact C-N 3.27Å; S737-D739 PolarHBondContact O-N 3.16Å; D739-P750 WeakPolarHBondContact O-CA 3.33Å; D739-W753 HydrophobicContact CB-CH2 3.99Å; D739-W753 HydrophobicContact CB-CZ3 3.61Å; D739-W753 WeakPolarHBondContact OD1-CH2 3.39Å; D739-W753 WeakPolarHBondContact OD2-CH2 3.26Å; D739-Q787 PolarHBondContact OD1-NE2 2.77Å |
| 740 | Y | 83 | Confident | 66 | Low | 11 Ų | 11 | 56.2 Ų | 56.2 | 4% | 0.043 | 31% | 0.31 | C | S | . | . | trans | -121.1 | 105.5 | -164.9 | -72.6 | -82.9 | 0 | 0 | 0 | 112.9 | D710 R714 R733 Y736 S737 G738 V748 L749 P750 | D710-Y740 PolarHBondContact OD1-OH 2.66Å; D710-Y740 VanDerWaalsContact OD2-CE1 3.29Å; D710-Y740 WeakPolarHBondContact OD2-CE1 3.36Å; D710-Y740 PolarHBondContact OD2-OH 3.05Å; R714-Y740 PolarHBondContact NE-OH 2.83Å; R733-Y740 HydrophobicContact CB-CD2 4.46Å; R733-Y740 HydrophobicContact CB-CE2 4.24Å; R733-Y740 HydrophobicContact CG-CD2 4.3Å; R733-Y740 HydrophobicContact CG-CE1 4.18Å; R733-Y740 HydrophobicContact CG-CE2 3.74Å; Y736-Y740 WeakPolarHBondContact O-CD2 3.46Å; S737-Y740 PolarHBondContact O-N 3.43Å; G738-Y740 VanDerWaalsContact C-N 3.32Å; Y740-V748 HydrophobicContact CD1-CG1 4.03Å; Y740-V748 HydrophobicContact CG-CG1 4.11Å; Y740-L749 CarbonylContact C-O 3.58Å; Y740-L749 WeakPolarHBondContact CA-O 3.37Å; Y740-P750 HydrophobicContact CD1-CB 3.98Å; Y740-P750 HydrophobicContact CE1-CB 3.71Å; Y740-P750 HydrophobicContact CE1-CG 4.12Å | ||
| 741 | Y | 81.3 | Confident | 67.9 | Low | 56 Ų | 56 | 55.7 Ų | 55.7 | 22% | 0.22 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 139.6 | 175.6 | -170.2 | -118.9 | 0 | 0 | 0 | 111.7 | I743 L749 I751 D794 I798 | Y741-I743 HydrophobicContact CD1-CD1 4.36Å; Y741-I743 HydrophobicContact CD1-CG1 3.62Å; Y741-I743 HydrophobicContact CE1-CD1 4.47Å; Y741-I743 HydrophobicContact CE1-CG1 3.58Å; Y741-L749 PolarHBondContact N-O 2.67Å; Y741-L749 PolarHBondContact O-N 2.71Å; Y741-I751 HydrophobicContact CD1-CD1 4.45Å; Y741-I751 HydrophobicContact CG-CD1 4.02Å; Y741-D794 HydrophobicContact CD2-CB 3.47Å; Y741-D794 VanDerWaalsContact CD2-CB 3.47Å; Y741-D794 WeakPolarHBondContact CD2-OD2 3.37Å; Y741-D794 HydrophobicContact CE2-CB 3.69Å; Y741-D794 HydrophobicContact CG-CB 4.24Å; Y741-I798 HydrophobicContact CD1-CD1 3.8Å; Y741-I798 HydrophobicContact CE1-CD1 3.51Å |
| 742 | R | 67.3 | Low | 70.1 | Confident | 143 Ų | 143 | 55.3 Ų | 55.3 | 54% | 0.54 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 89.8 | -177.4 | -66.3 | -175.3 | 178 | 179.6 | -1 | 110.8 | Q744 V748 | R742-Q744 PolarHBondContact O-N 2.8Å; R742-V748 HydrophobicContact CG-CG1 4.49Å; R742-V748 HydrophobicContact CG-CG2 4.35Å |
| 743 | I | 56.6 | Low | 72.2 | Confident | 49 Ų | 49 | 55.2 Ų | 55.2 | 25% | 0.251 | 30% | 0.301 | S | S | . | . | trans | -72.8 | 125.3 | 168.6 | -56.3 | 166.8 | 0 | 0 | 0 | 108.2 | Y741 G745 R746 L749 | Y741-I743 HydrophobicContact CD1-CD1 4.36Å; Y741-I743 HydrophobicContact CD1-CG1 3.62Å; Y741-I743 HydrophobicContact CE1-CD1 4.47Å; Y741-I743 HydrophobicContact CE1-CG1 3.58Å; I743-G745 PolarHBondContact O-N 2.82Å; I743-R746 HydrophobicContact CB-CB 4.09Å; I743-R746 HydrophobicContact CB-CG 4.37Å; I743-R746 HydrophobicContact CG2-CB 4.19Å; I743-R746 HydrophobicContact CG2-CG 3.91Å; I743-R746 PolarHBondContact O-N 3.15Å; I743-R746 VanDerWaalsContact O-N 3.12Å; I743-L749 HydrophobicContact CD1-CD1 4.26Å | ||
| 744 | Q | 43.8 | Very low | 74 | Confident | 174 Ų | 174 | 54.4 Ų | 54.4 | 81% | 0.813 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 134.7 | 177.3 | -64.8 | -175.1 | 1 | 0 | 0 | 110.9 | R742 R746 | R742-Q744 PolarHBondContact O-N 2.8Å; Q744-R746 PolarHBondContact O-N 3.4Å |
| 745 | G | 42.3 | Very low | 75.7 | Confident | 87 Ų | 87 | 51.1 Ų | 51.1 | 90% | 0.897 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 5.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | I743 | I743-G745 PolarHBondContact O-N 2.82Š|
| 746 | R | 50.8 | Low | 77 | Confident | 175 Ų | 175 | 48.7 Ų | 48.7 | 66% | 0.66 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -122 | 175.9 | 176 | -57.6 | -169.8 | -175.1 | 167.8 | 1.2 | 112.5 | I743 Q744 | I743-R746 HydrophobicContact CB-CB 4.09Å; I743-R746 HydrophobicContact CB-CG 4.37Å; I743-R746 HydrophobicContact CG2-CB 4.19Å; I743-R746 HydrophobicContact CG2-CG 3.91Å; I743-R746 PolarHBondContact O-N 3.15Å; I743-R746 VanDerWaalsContact O-N 3.12Å; Q744-R746 PolarHBondContact O-N 3.4Å |
| 747 | A | 58.8 | Low | 77.5 | Confident | 47 Ų | 47 | 47.9 Ų | 47.9 | 39% | 0.388 | 26% | 0.263 | S | S | . | . | trans | -62.4 | 157.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y538 | Y538-A747 HydrophobicContact CE1-CB 4.11Š| ||
| 748 | V | 72.5 | Confident | 78.1 | Confident | 34 Ų | 34 | 45.2 Ų | 45.2 | 21% | 0.206 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 126 | 178.9 | 175.9 | 0 | 0 | 0 | 0 | 108.9 | Y538 Y740 R742 | Y538-V748 WeakPolarHBondContact CE1-O 3.4Å; Y538-V748 PolarHBondContact OH-N 2.86Å; Y740-V748 HydrophobicContact CD1-CG1 4.03Å; Y740-V748 HydrophobicContact CG-CG1 4.11Å; R742-V748 HydrophobicContact CG-CG1 4.49Å; R742-V748 HydrophobicContact CG-CG2 4.35Å |
| 749 | L | 83.2 | Confident | 78.4 | Confident | 32 Ų | 32 | 44.3 Ų | 44.3 | 17% | 0.168 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 130.7 | -162.7 | -68.5 | 179.1 | 0 | 0 | 0 | 114.1 | Y740 Y741 I743 I751 M754 F764 | Y740-L749 CarbonylContact C-O 3.58Å; Y740-L749 WeakPolarHBondContact CA-O 3.37Å; Y741-L749 PolarHBondContact N-O 2.67Å; Y741-L749 PolarHBondContact O-N 2.71Å; I743-L749 HydrophobicContact CD1-CD1 4.26Å; L749-I751 HydrophobicContact CB-CG2 4.01Å; L749-I751 PolarHBondContact O-N 2.74Å; L749-M754 HydrophobicContact CB-SD 3.88Å; L749-M754 HydrophobicContact CD1-CE 4.34Å; L749-M754 HydrophobicContact CD2-CE 4.23Å; L749-M754 HydrophobicContact CD2-SD 4.15Å; L749-M754 HydrophobicContact CG-SD 4.4Å; L749-F764 HydrophobicContact CD2-CZ 4.49Å |
| 750 | P | 90.6 | Very high | 78.2 | Confident | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.032 | 24% | 0.242 | C | C | . | . | trans | -80 | 61.6 | 177.6 | 34.6 | -36.3 | 0 | 0 | 0 | 111.7 | D739 Y740 R752 W753 M754 | D739-P750 WeakPolarHBondContact O-CA 3.33Å; Y740-P750 HydrophobicContact CD1-CB 3.98Å; Y740-P750 HydrophobicContact CE1-CB 3.71Å; Y740-P750 HydrophobicContact CE1-CG 4.12Å; P750-R752 PolarHBondContact O-N 3.41Å; P750-W753 HydrophobicContact CB-CE3 4.37Å; P750-W753 PolarHBondContact O-N 2.71Å; P750-M754 HydrophobicContact CG-CG 4.26Å; P750-M754 HydrophobicContact CG-SD 4.35Å; P750-M754 WeakPolarHBondContact O-CG 3.45Å; P750-M754 PolarHBondContact O-N 3.47Å | ||
| 751 | I | 92.3 | Very high | 77.9 | Confident | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -31.9 | -165.5 | 57.5 | 164.3 | 0 | 0 | 0 | 114.4 | Y741 L749 W753 M754 I759 D794 V797 I798 | Y741-I751 HydrophobicContact CD1-CD1 4.45Å; Y741-I751 HydrophobicContact CG-CD1 4.02Å; L749-I751 HydrophobicContact CB-CG2 4.01Å; L749-I751 PolarHBondContact O-N 2.74Å; I751-W753 PolarHBondContact O-N 2.67Å; I751-M754 HydrophobicContact CG2-SD 4.44Å; I751-M754 PolarHBondContact O-N 3.45Å; I751-I759 HydrophobicContact CB-CD1 3.7Å; I751-I759 HydrophobicContact CG2-CD1 3.91Å; I751-I759 HydrophobicContact CG2-CG1 4.46Å; I751-D794 HydrophobicContact CD1-CB 3.68Å; I751-D794 WeakPolarHBondContact CD1-O 3.49Å; I751-V797 HydrophobicContact CD1-CB 4.28Å; I751-V797 HydrophobicContact CD1-CG1 4.14Å; I751-V797 HydrophobicContact CG1-CG1 4.32Å; I751-I798 HydrophobicContact CD1-CD1 4.14Å; I751-I798 HydrophobicContact CD1-CG1 4.03Å |
| 752 | R | 96.4 | Very high | 77.7 | Confident | 11 Ų | 11 | 50 Ų | 50 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -17.4 | -179.8 | -70.6 | 162.5 | -177 | -82 | -4.2 | 113.8 | P750 P788 Y789 L792 D794 V797 | P750-R752 PolarHBondContact O-N 3.41Å; R752-P788 HydrophobicContact CB-CB 4.37Å; R752-P788 WeakPolarHBondContact CD-O 3.43Å; R752-P788 PolarHBondContact NH1-O 3.29Å; R752-Y789 PolarHBondContact NH1-O 3.16Å; R752-L792 PolarHBondContact NH2-O 3.46Å; R752-D794 IonicContact CZ-OD1 2.71Å; R752-D794 VanDerWaalsContact CZ-OD1 3.26Å; R752-D794 IonicContact NE-OD1 3.82Å; R752-D794 PolarHBondContact NE-OD1 3.08Å; R752-D794 IonicContact NH2-OD1 2.96Å; R752-D794 PolarHBondContact NH2-OD1 2.96Å; R752-V797 HydrophobicContact CG-CG1 4.21Å; R752-V797 HydrophobicContact CG-CG2 4.21Å |
| 753 | W | 96.6 | Very high | 78.3 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.015 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -16.5 | 174.1 | -73 | -101.2 | 0 | 0 | 0 | 113.8 | A712 R714 D739 P750 I751 A772 V775 E779 Q787 P788 | A712-W753 HydrophobicContact CB-CD2 4.24Å; A712-W753 HydrophobicContact CB-CG 4.24Å; A712-W753 HydrophobicContact CB-CZ2 4.3Å; A712-W753 VanDerWaalsContact CB-NE1 3.34Å; R714-W753 VanDerWaalsContact NH1-CZ2 3.27Å; D739-W753 HydrophobicContact CB-CH2 3.99Å; D739-W753 HydrophobicContact CB-CZ3 3.61Å; D739-W753 WeakPolarHBondContact OD1-CH2 3.39Å; D739-W753 WeakPolarHBondContact OD2-CH2 3.26Å; P750-W753 HydrophobicContact CB-CE3 4.37Å; P750-W753 PolarHBondContact O-N 2.71Å; I751-W753 PolarHBondContact O-N 2.67Å; W753-A772 HydrophobicContact CB-CB 4.48Å; W753-A772 WeakPolarHBondContact O-CA 3.44Å; W753-A772 WeakPolarHBondContact O-CB 3.44Å; W753-V775 HydrophobicContact CD2-CG1 4.36Å; W753-V775 HydrophobicContact CG-CB 4.39Å; W753-V775 HydrophobicContact CG-CG1 4.04Å; W753-E779 HydrophobicContact CZ2-CG 4.39Å; W753-E779 VanDerWaalsContact NE1-CD 3.34Å; W753-E779 PolarHBondContact NE1-OE2 2.87Å; W753-Q787 HydrophobicContact CH2-CG 4.44Å; W753-P788 HydrophobicContact CH2-CG 4.04Å; W753-P788 HydrophobicContact CZ2-CG 3.67Å |
| 754 | M | 94.8 | Very high | 79.7 | Confident | 11 Ų | 11 | 48.6 Ų | 48.6 | 5% | 0.054 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -77.5 | 148.5 | -171.9 | -71.5 | 173.9 | 64.1 | 0 | 0 | 112.3 | L749 P750 I751 I759 F764 W771 | L749-M754 HydrophobicContact CB-SD 3.88Å; L749-M754 HydrophobicContact CD1-CE 4.34Å; L749-M754 HydrophobicContact CD2-CE 4.23Å; L749-M754 HydrophobicContact CD2-SD 4.15Å; L749-M754 HydrophobicContact CG-SD 4.4Å; P750-M754 HydrophobicContact CG-CG 4.26Å; P750-M754 HydrophobicContact CG-SD 4.35Å; P750-M754 WeakPolarHBondContact O-CG 3.45Å; P750-M754 PolarHBondContact O-N 3.47Å; I751-M754 HydrophobicContact CG2-SD 4.44Å; I751-M754 PolarHBondContact O-N 3.45Å; M754-I759 HydrophobicContact CB-CD1 4.04Å; M754-I759 HydrophobicContact CB-CG1 3.71Å; M754-I759 HydrophobicContact CE-CG1 3.81Å; M754-I759 HydrophobicContact SD-CG1 4.22Å; M754-F764 HydrophobicContact CE-CE1 3.85Å; M754-F764 HydrophobicContact CE-CZ 3.68Å; M754-W771 PolarHBondContact O-NE1 3.13Å |
| 755 | S | 95.9 | Very high | 81.8 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -74.4 | 157.7 | 170.3 | 69.3 | 0 | 0 | 0 | 0 | 111.6 | E757 S758 I759 S768 | S755-E757 WeakPolarHBondContact CB-OE1 3.21Å; S755-E757 WeakPolarHBondContact CB-OE2 3.41Å; S755-E757 PolarHBondContact O-N 2.88Å; S755-E757 PolarHBondContact OG-OE1 2.88Å; S755-E757 PolarHBondContact OG-OE2 3.44Å; S755-S758 WeakPolarHBondContact O-CB 3.48Å; S755-S758 PolarHBondContact O-N 2.94Å; S755-S758 PolarHBondContact OG-N 2.9Å; S755-S758 PolarHBondContact OG-OG 3.28Å; S755-I759 PolarHBondContact O-N 3.34Å; S755-I759 VanDerWaalsContact O-N 3.08Å; S755-S768 WeakPolarHBondContact OG-CB 3.24Å | ||
| 756 | W | 93.5 | Very high | 84.3 | Confident | 26 Ų | 26 | 40.6 Ų | 40.6 | 10% | 0.098 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.6 | -36.7 | 179.9 | 74.4 | -94.2 | 0 | 0 | 0 | 112.1 | I759 L760 L761 W771 T801 F804 F805 R834 | W756-I759 PolarHBondContact O-N 2.92Å; W756-L760 HydrophobicContact CE3-CD1 4.31Å; W756-L760 WeakPolarHBondContact O-CB 3.46Å; W756-L760 PolarHBondContact O-N 3.48Å; W756-L761 HydrophobicContact CH2-CD1 4.27Å; W756-L761 HydrophobicContact CZ3-CD1 3.95Å; W756-L761 HydrophobicContact CZ3-CG 4.42Å; W756-W771 AromaticContact CD1-CZ3 3.98Å; W756-T801 HydrophobicContact CB-CG2 4.28Å; W756-F804 HydrophobicContact CB-CB 3.82Å; W756-F804 HydrophobicContact CG-CB 3.95Å; W756-F805 HydrophobicContact CE3-CB 3.98Å; W756-F805 HydrophobicContact CE3-CD2 4.14Å; W756-F805 HydrophobicContact CE3-CG 4.49Å; W756-F805 AromaticContact CH2-CD2 3.93Å; W756-F805 HydrophobicContact CH2-CD2 3.93Å; W756-F805 HydrophobicContact CZ3-CB 4.21Å; W756-F805 AromaticContact CZ3-CD2 3.47Å; W756-F805 HydrophobicContact CZ3-CD2 3.47Å; W756-F805 VanDerWaalsContact CZ3-CD2 3.47Å; W756-F805 HydrophobicContact CZ3-CE2 4.29Å; W756-F805 HydrophobicContact CZ3-CG 4.24Å; W756-R834 HydrophobicContact CZ2-CG 4.38Å; W756-R834 PolarHBondContact NE1-O 3.44Å |
| 757 | E | 87.8 | Confident | 86.4 | Confident | 9 Ų | 9 | 33.3 Ų | 33.3 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -75.7 | -22.4 | 176.9 | 75.8 | -75.8 | 169.3 | 0 | 0 | 113.6 | S755 L761 G762 K763 T836 R839 | S755-E757 WeakPolarHBondContact CB-OE1 3.21Å; S755-E757 WeakPolarHBondContact CB-OE2 3.41Å; S755-E757 PolarHBondContact O-N 2.88Å; S755-E757 PolarHBondContact OG-OE1 2.88Å; S755-E757 PolarHBondContact OG-OE2 3.44Å; E757-L761 HydrophobicContact CB-CD1 4.2Å; E757-L761 CarbonylContact O-C 3.6Å; E757-L761 WeakPolarHBondContact O-CA 3.47Å; E757-L761 VanDerWaalsContact O-CB 3.31Å; E757-L761 WeakPolarHBondContact O-CB 3.33Å; E757-L761 PolarHBondContact O-N 3.43Å; E757-L761 VanDerWaalsContact O-N 3.12Å; E757-G762 PolarHBondContact O-N 2.9Å; E757-K763 HydrophobicContact CB-CB 4.46Å; E757-K763 HydrophobicContact CG-CB 4.16Å; E757-K763 PolarHBondContact O-N 2.71Å; E757-T836 HydrophobicContact CG-CG2 4.21Å; E757-T836 WeakPolarHBondContact OE1-CG2 3.45Å; E757-R839 IonicContact OE1-CZ 2.82Å; E757-R839 IonicContact OE1-NH1 3.44Å; E757-R839 PolarHBondContact OE1-NH1 2.9Å; E757-R839 IonicContact OE1-NH2 2.67Å; E757-R839 PolarHBondContact OE1-NH2 2.81Å; E757-R839 IonicContact OE2-CZ 3.14Å; E757-R839 IonicContact OE2-NH1 3.55Å; E757-R839 IonicContact OE2-NH2 2.73Å; E757-R839 PolarHBondContact OE2-NH2 3.1Å |
| 758 | S | 89.6 | Confident | 88.1 | Confident | 4 Ų | 4 | 31.3 Ų | 31.3 | 3% | 0.028 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -73.5 | -38.6 | 171 | -60.6 | 0 | 0 | 0 | 0 | 112 | S755 G762 K763 S768 | S755-S758 WeakPolarHBondContact O-CB 3.48Å; S755-S758 PolarHBondContact O-N 2.94Å; S755-S758 PolarHBondContact OG-N 2.9Å; S755-S758 PolarHBondContact OG-OG 3.28Å; S758-G762 WeakPolarHBondContact O-CA 3.45Å; S758-G762 PolarHBondContact O-N 2.99Å; S758-K763 WeakPolarHBondContact CA-O 3.36Å; S758-K763 WeakPolarHBondContact CB-O 3.47Å; S758-K763 PolarHBondContact OG-O 3.5Å; S758-S768 WeakPolarHBondContact OG-CB 3.41Å; S758-S768 PolarHBondContact OG-OG 3.19Å |
| 759 | I | 85.2 | Confident | 89.3 | Confident | 33 Ų | 33 | 29.8 Ų | 29.8 | 17% | 0.169 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -73.9 | -55.2 | 176.2 | -65.6 | -172.9 | 0 | 0 | 0 | 111.1 | I751 M754 S755 W756 I798 T801 | I751-I759 HydrophobicContact CB-CD1 3.7Å; I751-I759 HydrophobicContact CG2-CD1 3.91Å; I751-I759 HydrophobicContact CG2-CG1 4.46Å; M754-I759 HydrophobicContact CB-CD1 4.04Å; M754-I759 HydrophobicContact CB-CG1 3.71Å; M754-I759 HydrophobicContact CE-CG1 3.81Å; M754-I759 HydrophobicContact SD-CG1 4.22Å; S755-I759 PolarHBondContact O-N 3.34Å; S755-I759 VanDerWaalsContact O-N 3.08Å; W756-I759 PolarHBondContact O-N 2.92Å; I759-I798 HydrophobicContact CG2-CG1 4.44Å; I759-I798 HydrophobicContact CG2-CG2 4.37Å; I759-T801 HydrophobicContact CD1-CG2 3.88Å |
| 760 | L | 80.3 | Confident | 90 | Very high | 75 Ų | 75 | 28.4 Ų | 28.4 | 39% | 0.393 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -81 | -27.8 | -170.1 | -61.1 | -178.7 | 0 | 0 | 0 | 114 | W756 F805 | W756-L760 HydrophobicContact CE3-CD1 4.31Å; W756-L760 WeakPolarHBondContact O-CB 3.46Å; W756-L760 PolarHBondContact O-N 3.48Å; L760-F805 HydrophobicContact CD1-CB 3.81Å; L760-F805 HydrophobicContact CD1-CG 4.41Å |
| 761 | L | 77.4 | Confident | 90.4 | Very high | 79 Ų | 79 | 28.4 Ų | 28.4 | 41% | 0.414 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -120.3 | 1.7 | -174.5 | -48.8 | 177.6 | 0 | 0 | 0 | 113.5 | W756 E757 K763 | W756-L761 HydrophobicContact CH2-CD1 4.27Å; W756-L761 HydrophobicContact CZ3-CD1 3.95Å; W756-L761 HydrophobicContact CZ3-CG 4.42Å; E757-L761 HydrophobicContact CB-CD1 4.2Å; E757-L761 CarbonylContact O-C 3.6Å; E757-L761 WeakPolarHBondContact O-CA 3.47Å; E757-L761 VanDerWaalsContact O-CB 3.31Å; E757-L761 WeakPolarHBondContact O-CB 3.33Å; E757-L761 PolarHBondContact O-N 3.43Å; E757-L761 VanDerWaalsContact O-N 3.12Å; L761-K763 HydrophobicContact CB-CD 3.95Å; L761-K763 HydrophobicContact CB-CG 4.02Å; L761-K763 HydrophobicContact CD1-CD 4.17Å; L761-K763 PolarHBondContact O-N 3.12Å |
| 762 | G | 76.8 | Confident | 90.7 | Very high | 47 Ų | 47 | 28.5 Ų | 28.5 | 49% | 0.485 | 16% | 0.159 | S | C | . | . | trans | 63.6 | 17.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | E757 S758 F764 | E757-G762 PolarHBondContact O-N 2.9Å; S758-G762 WeakPolarHBondContact O-CA 3.45Å; S758-G762 PolarHBondContact O-N 2.99Å; G762-F764 VanDerWaalsContact O-CD2 3.3Å; G762-F764 WeakPolarHBondContact O-CD2 3.46Å; G762-F764 PolarHBondContact O-N 2.92Å | ||
| 763 | K | 80.1 | Confident | 90.8 | Very high | 114 Ų | 114 | 28 Ų | 28 | 50% | 0.496 | 16% | 0.157 | S | C | . | . | trans | -89.2 | 107.8 | -171.7 | -72.1 | 176.7 | -176.3 | 174 | 0 | 111.3 | E757 S758 L761 | E757-K763 HydrophobicContact CB-CB 4.46Å; E757-K763 HydrophobicContact CG-CB 4.16Å; E757-K763 PolarHBondContact O-N 2.71Å; S758-K763 WeakPolarHBondContact CA-O 3.36Å; S758-K763 WeakPolarHBondContact CB-O 3.47Å; S758-K763 PolarHBondContact OG-O 3.5Å; L761-K763 HydrophobicContact CB-CD 3.95Å; L761-K763 HydrophobicContact CB-CG 4.02Å; L761-K763 HydrophobicContact CD1-CD 4.17Å; L761-K763 PolarHBondContact O-N 3.12Å | ||
| 764 | F | 84.4 | Confident | 90.9 | Very high | 50 Ų | 50 | 27.8 Ų | 27.8 | 22% | 0.219 | 16% | 0.156 | C | C | . | . | trans | -102 | 125.2 | 172.1 | -62.3 | -87.6 | 0 | 0 | 0 | 110 | V707 R709 L749 M754 G762 | V707-F764 HydrophobicContact CG1-CB 4.28Å; R709-F764 HydrophobicContact CB-CD1 3.74Å; R709-F764 HydrophobicContact CB-CE1 4.11Å; R709-F764 HydrophobicContact CG-CB 4.01Å; R709-F764 HydrophobicContact CG-CD1 3.75Å; R709-F764 HydrophobicContact CG-CG 4.04Å; L749-F764 HydrophobicContact CD2-CZ 4.49Å; M754-F764 HydrophobicContact CE-CE1 3.85Å; M754-F764 HydrophobicContact CE-CZ 3.68Å; G762-F764 VanDerWaalsContact O-CD2 3.3Å; G762-F764 WeakPolarHBondContact O-CD2 3.46Å; G762-F764 PolarHBondContact O-N 2.92Å | ||
| 765 | T | 89.7 | Confident | 91 | Very high | 57 Ų | 57 | 27.3 Ų | 27.3 | 35% | 0.35 | 15% | 0.153 | S | C | . | . | trans | -149.8 | 168.5 | -178.5 | 65.2 | 0 | 0 | 0 | 0 | 110.2 | A767 S768 D769 | T765-A767 PolarHBondContact O-N 2.93Å; T765-A767 VanDerWaalsContact O-N 3.08Å; T765-A767 PolarHBondContact OG1-N 3.35Å; T765-S768 PolarHBondContact N-OG 3.37Å; T765-S768 PolarHBondContact O-N 3.48Å; T765-S768 PolarHBondContact O-OG 2.71Å; T765-S768 PolarHBondContact OG1-N 2.89Å; T765-D769 PolarHBondContact O-N 2.75Å | ||
| 766 | T | 93.1 | Very high | 91.1 | Very high | 36 Ų | 36 | 27.3 Ų | 27.3 | 22% | 0.221 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -53.2 | -30.7 | 168.8 | -47.8 | 0 | 0 | 0 | 0 | 112.6 | S702 D769 V770 F842 | S702-T766 VanDerWaalsContact OG-CG2 3.32Å; S702-T766 WeakPolarHBondContact OG-CG2 3.12Å; T766-D769 PolarHBondContact O-N 2.79Å; T766-V770 WeakPolarHBondContact O-CG2 3.19Å; T766-V770 PolarHBondContact O-N 3Å; T766-F842 HydrophobicContact CG2-CD2 3.9Å; T766-F842 HydrophobicContact CG2-CE2 4.01Å |
| 767 | A | 95.9 | Very high | 91.3 | Very high | 21 Ų | 21 | 26.2 Ų | 26.2 | 17% | 0.174 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -74.1 | -24.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | T765 W771 T836 R839 | T765-A767 PolarHBondContact O-N 2.93Å; T765-A767 VanDerWaalsContact O-N 3.08Å; T765-A767 PolarHBondContact OG1-N 3.35Å; A767-W771 PolarHBondContact O-N 3.25Å; A767-T836 HydrophobicContact CB-CG2 4.17Å; A767-R839 VanDerWaalsContact O-CD 3.31Å; A767-R839 WeakPolarHBondContact O-CD 3.5Å; A767-R839 PolarHBondContact O-NH1 3.43Å |
| 768 | S | 95.1 | Very high | 91.8 | Very high | 5 Ų | 5 | 26 Ų | 26 | 4% | 0.035 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -80.1 | -32.9 | 169.2 | 63.3 | 0 | 0 | 0 | 0 | 111.4 | S755 S758 T765 V770 W771 A772 | S755-S768 WeakPolarHBondContact OG-CB 3.24Å; S758-S768 WeakPolarHBondContact OG-CB 3.41Å; S758-S768 PolarHBondContact OG-OG 3.19Å; T765-S768 PolarHBondContact N-OG 3.37Å; T765-S768 PolarHBondContact O-N 3.48Å; T765-S768 PolarHBondContact O-OG 2.71Å; T765-S768 PolarHBondContact OG1-N 2.89Å; S768-V770 VanDerWaalsContact C-N 3.3Å; S768-V770 PolarHBondContact O-N 3.03Å; S768-W771 WeakPolarHBondContact O-CB 3.11Å; S768-W771 PolarHBondContact O-N 3.44Å; S768-A772 PolarHBondContact O-N 3.11Å |
| 769 | D | 96.7 | Very high | 92.2 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.011 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.9 | -35.7 | 170.2 | -68.7 | -16.8 | 0 | 0 | 0 | 111.7 | M698 V707 H708 R709 T765 T766 W771 A772 F773 F842 | M698-D769 HydrophobicContact CE-CB 3.74Å; V707-D769 VanDerWaalsContact CA-OD2 3.24Å; V707-D769 WeakPolarHBondContact CA-OD2 3.38Å; V707-D769 WeakPolarHBondContact CG1-OD2 3.45Å; H708-D769 PolarHBondContact N-OD1 2.88Å; H708-D769 PolarHBondContact N-OD2 2.92Å; R709-D769 PolarHBondContact N-OD1 3.49Å; T765-D769 PolarHBondContact O-N 2.75Å; T766-D769 PolarHBondContact O-N 2.79Å; D769-W771 VanDerWaalsContact C-N 3.31Å; D769-W771 PolarHBondContact O-N 3.23Å; D769-A772 PolarHBondContact O-N 3.18Å; D769-F773 WeakPolarHBondContact O-CB 3.32Å; D769-F773 PolarHBondContact O-N 3.35Å; D769-F842 HydrophobicContact CB-CE2 3.98Å; D769-F842 HydrophobicContact CB-CZ 4.06Å |
| 770 | V | 98.6 | Very high | 92.7 | Very high | 4 Ų | 4 | 24.4 Ų | 24.4 | 2% | 0.024 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.8 | -39.3 | 171.8 | 162.5 | 0 | 0 | 0 | 0 | 111.8 | T766 S768 F773 G774 C831 R839 P840 F842 I845 | T766-V770 WeakPolarHBondContact O-CG2 3.19Å; T766-V770 PolarHBondContact O-N 3Å; S768-V770 VanDerWaalsContact C-N 3.3Å; S768-V770 PolarHBondContact O-N 3.03Å; V770-F773 PolarHBondContact O-N 3.29Å; V770-G774 PolarHBondContact O-N 2.93Å; V770-C831 HydrophobicContact CG1-CB 3.95Å; V770-C831 WeakPolarHBondContact O-CB 3.29Å; V770-R839 HydrophobicContact CG1-CB 3.95Å; V770-P840 HydrophobicContact CG1-CG 4.48Å; V770-P840 WeakPolarHBondContact CG1-O 3.48Å; V770-P840 WeakPolarHBondContact CG2-O 3.34Å; V770-F842 HydrophobicContact CB-CZ 4.36Å; V770-F842 HydrophobicContact CG2-CD1 4.42Å; V770-F842 HydrophobicContact CG2-CD2 3.84Å; V770-F842 HydrophobicContact CG2-CE1 4.16Å; V770-F842 HydrophobicContact CG2-CE2 3.54Å; V770-F842 HydrophobicContact CG2-CG 4.27Å; V770-F842 HydrophobicContact CG2-CZ 3.72Å; V770-I845 HydrophobicContact CG1-CD1 4Å; V770-I845 HydrophobicContact CG2-CD1 4.06Å |
| 771 | W | 98.6 | Very high | 93.5 | Very high | 5 Ų | 5 | 21 Ų | 21 | 2% | 0.019 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64 | -47.1 | 174.7 | 178.6 | -68.5 | 0 | 0 | 0 | 111.1 | M754 W756 A767 S768 D769 F773 G774 V775 F804 W832 | M754-W771 PolarHBondContact O-NE1 3.13Å; W756-W771 AromaticContact CD1-CZ3 3.98Å; A767-W771 PolarHBondContact O-N 3.25Å; S768-W771 WeakPolarHBondContact O-CB 3.11Å; S768-W771 PolarHBondContact O-N 3.44Å; D769-W771 VanDerWaalsContact C-N 3.31Å; D769-W771 PolarHBondContact O-N 3.23Å; W771-F773 VanDerWaalsContact C-N 3.33Å; W771-F773 PolarHBondContact O-N 2.89Å; W771-G774 WeakPolarHBondContact O-CA 3.38Å; W771-G774 PolarHBondContact O-N 3.26Å; W771-V775 PolarHBondContact O-N 3.03Å; W771-F804 AromaticContact CH2-CD1 3.68Å; W771-F804 HydrophobicContact CH2-CD1 3.68Å; W771-F804 HydrophobicContact CH2-CD2 4.09Å; W771-F804 AromaticContact CH2-CE1 3.54Å; W771-F804 HydrophobicContact CH2-CE1 3.54Å; W771-F804 AromaticContact CH2-CE2 3.99Å; W771-F804 HydrophobicContact CH2-CE2 3.99Å; W771-F804 AromaticContact CH2-CG 3.95Å; W771-F804 HydrophobicContact CH2-CG 3.95Å; W771-F804 AromaticContact CH2-CZ 3.72Å; W771-F804 HydrophobicContact CH2-CZ 3.72Å; W771-F804 HydrophobicContact CZ2-CD2 4.47Å; W771-F804 HydrophobicContact CZ2-CE1 4.44Å; W771-F804 HydrophobicContact CZ2-CE2 4.2Å; W771-F804 HydrophobicContact CZ2-CZ 4.18Å; W771-F804 HydrophobicContact CZ3-CD1 4.33Å; W771-F804 HydrophobicContact CZ3-CE1 4.25Å; W771-W832 HydrophobicContact CD2-CB 4.49Å; W771-W832 AromaticContact CD2-CD1 3.71Å; W771-W832 HydrophobicContact CD2-CG 4.48Å; W771-W832 AromaticContact CE2-CD1 3.83Å; W771-W832 HydrophobicContact CE3-CB 4.23Å; W771-W832 AromaticContact CG-CD1 3.83Å; W771-W832 HydrophobicContact CH2-CB 4.34Å; W771-W832 HydrophobicContact CZ3-CB 4.14Å; W771-W832 WeakPolarHBondContact CZ3-O 3.47Å; W771-W832 AromaticContact NE1-CD1 3.98Å; W771-W832 PolarHBondContact O-NE1 3.47Å |
| 772 | A | 98 | Very high | 94.3 | Very high | 5 Ų | 5 | 18.3 Ų | 18.3 | 4% | 0.041 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.4 | -40.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L711 W753 S768 D769 G774 V775 T776 | L711-A772 HydrophobicContact CB-CB 4.09Å; W753-A772 HydrophobicContact CB-CB 4.48Å; W753-A772 WeakPolarHBondContact O-CA 3.44Å; W753-A772 WeakPolarHBondContact O-CB 3.44Å; S768-A772 PolarHBondContact O-N 3.11Å; D769-A772 PolarHBondContact O-N 3.18Å; A772-G774 VanDerWaalsContact C-N 3.29Å; A772-G774 PolarHBondContact O-N 3.21Å; A772-V775 CarbonylContact O-C 2.94Å; A772-V775 WeakPolarHBondContact O-CA 3.27Å; A772-V775 WeakPolarHBondContact O-CB 3.49Å; A772-V775 PolarHBondContact O-N 2.73Å; A772-T776 PolarHBondContact O-N 3.44Å; A772-T776 PolarHBondContact O-OG1 3.35Å; A772-T776 VanDerWaalsContact O-OG1 3.05Å |
| 773 | F | 98.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 0% | 0.004 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.7 | -37.1 | 172 | 176.3 | -89.3 | 0 | 0 | 0 | 112.4 | I694 A695 L711 D769 V770 W771 V775 T776 L777 F842 I845 L849 | I694-F773 HydrophobicContact CB-CE2 4.02Å; I694-F773 HydrophobicContact CG2-CD2 3.79Å; I694-F773 HydrophobicContact CG2-CE2 3.77Å; A695-F773 HydrophobicContact CB-CE2 3.96Å; A695-F773 HydrophobicContact CB-CZ 3.9Å; L711-F773 HydrophobicContact CD2-CB 3.8Å; L711-F773 HydrophobicContact CD2-CD2 4.39Å; D769-F773 WeakPolarHBondContact O-CB 3.32Å; D769-F773 PolarHBondContact O-N 3.35Å; V770-F773 PolarHBondContact O-N 3.29Å; W771-F773 VanDerWaalsContact C-N 3.33Å; W771-F773 PolarHBondContact O-N 2.89Å; F773-V775 PolarHBondContact O-N 2.96Å; F773-T776 PolarHBondContact O-N 2.91Å; F773-L777 HydrophobicContact CE1-CB 4.3Å; F773-L777 HydrophobicContact CE1-CD1 4.5Å; F773-L777 HydrophobicContact CE1-CD2 4.1Å; F773-L777 HydrophobicContact CZ-CD1 4.29Å; F773-L777 VanDerWaalsContact O-CB 3.3Å; F773-L777 WeakPolarHBondContact O-CB 2.93Å; F773-L777 PolarHBondContact O-N 2.72Å; F773-F842 HydrophobicContact CB-CE1 3.65Å; F773-F842 HydrophobicContact CB-CZ 4.05Å; F773-F842 HydrophobicContact CD1-CE1 4.44Å; F773-F842 HydrophobicContact CD2-CE1 4.04Å; F773-F842 AromaticContact CG-CE1 3.77Å; F773-F842 HydrophobicContact CG-CE1 3.77Å; F773-I845 HydrophobicContact CD1-CD1 4.14Å; F773-I845 HydrophobicContact CD1-CG2 3.96Å; F773-I845 HydrophobicContact CE1-CG2 3.31Å; F773-I845 HydrophobicContact CZ-CG2 3.74Å; F773-L849 HydrophobicContact CZ-CD1 4.02Å |
| 774 | G | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57.3 | -40.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V770 W771 A772 W778 W832 | V770-G774 PolarHBondContact O-N 2.93Å; W771-G774 WeakPolarHBondContact O-CA 3.38Å; W771-G774 PolarHBondContact O-N 3.26Å; A772-G774 VanDerWaalsContact C-N 3.29Å; A772-G774 PolarHBondContact O-N 3.21Å; G774-W778 PolarHBondContact O-N 2.71Å; G774-W778 VanDerWaalsContact O-N 3.11Å; G774-W832 VanDerWaalsContact C-CZ2 3.42Å; G774-W832 VanDerWaalsContact O-CZ2 3.26Å; G774-W832 WeakPolarHBondContact O-CZ2 3.35Å |
| 775 | V | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -71.7 | -41.6 | 174.7 | -174.4 | 0 | 0 | 0 | 0 | 111.4 | W753 W771 A772 F773 L777 W778 E779 P788 L814 W832 | W753-V775 HydrophobicContact CD2-CG1 4.36Å; W753-V775 HydrophobicContact CG-CB 4.39Å; W753-V775 HydrophobicContact CG-CG1 4.04Å; W771-V775 PolarHBondContact O-N 3.03Å; A772-V775 CarbonylContact O-C 2.94Å; A772-V775 WeakPolarHBondContact O-CA 3.27Å; A772-V775 WeakPolarHBondContact O-CB 3.49Å; A772-V775 PolarHBondContact O-N 2.73Å; F773-V775 PolarHBondContact O-N 2.96Å; V775-L777 VanDerWaalsContact C-N 3.28Å; V775-L777 PolarHBondContact O-N 3.4Å; V775-W778 WeakPolarHBondContact O-CA 3.47Å; V775-W778 WeakPolarHBondContact O-CB 3.25Å; V775-W778 PolarHBondContact O-N 2.78Å; V775-E779 WeakPolarHBondContact O-CG 3.43Å; V775-E779 PolarHBondContact O-N 3.34Å; V775-P788 HydrophobicContact CG1-CB 3.7Å; V775-P788 HydrophobicContact CG1-CG 3.45Å; V775-P788 VanDerWaalsContact CG1-CG 3.45Å; V775-L814 HydrophobicContact CB-CD1 4.48Å; V775-L814 HydrophobicContact CG1-CD1 4.04Å; V775-L814 HydrophobicContact CG2-CD1 4.17Å; V775-W832 HydrophobicContact CG2-CZ2 4.2Å |
| 776 | T | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61 | -36.2 | 174.2 | -47.6 | 0 | 0 | 0 | 0 | 112.9 | I694 L711 T713 A772 F773 E779 T780 | I694-T776 HydrophobicContact CD1-CG2 4.1Å; L711-T776 PolarHBondContact O-OG1 3.4Å; T713-T776 HydrophobicContact CG2-CG2 3.94Å; A772-T776 PolarHBondContact O-N 3.44Å; A772-T776 PolarHBondContact O-OG1 3.35Å; A772-T776 VanDerWaalsContact O-OG1 3.05Å; F773-T776 PolarHBondContact O-N 2.91Å; T776-E779 VanDerWaalsContact CA-OE2 3.24Å; T776-E779 WeakPolarHBondContact CA-OE2 3.26Å; T776-T780 WeakPolarHBondContact O-CB 3.33Å; T776-T780 PolarHBondContact O-N 3.17Å; T776-T780 PolarHBondContact O-OG1 2.64Å |
| 777 | L | 97.7 | Very high | 96.1 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.01 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.7 | -40.3 | 173.1 | -166.6 | 64.4 | 0 | 0 | 0 | 110.6 | A691 F773 V775 T780 F781 V824 L827 M828 | A691-L777 HydrophobicContact CB-CD1 3.42Å; A691-L777 VanDerWaalsContact CB-CD1 3.42Å; F773-L777 HydrophobicContact CE1-CB 4.3Å; F773-L777 HydrophobicContact CE1-CD1 4.5Å; F773-L777 HydrophobicContact CE1-CD2 4.1Å; F773-L777 HydrophobicContact CZ-CD1 4.29Å; F773-L777 VanDerWaalsContact O-CB 3.3Å; F773-L777 WeakPolarHBondContact O-CB 2.93Å; F773-L777 PolarHBondContact O-N 2.72Å; V775-L777 VanDerWaalsContact C-N 3.28Å; V775-L777 PolarHBondContact O-N 3.4Å; L777-T780 PolarHBondContact O-N 2.72Å; L777-F781 HydrophobicContact CD1-CD2 4.2Å; L777-F781 HydrophobicContact CD1-CE2 3.78Å; L777-F781 HydrophobicContact CG-CD2 4.24Å; L777-F781 HydrophobicContact CG-CE2 4.21Å; L777-F781 VanDerWaalsContact O-CD2 3.27Å; L777-F781 WeakPolarHBondContact O-CD2 3.46Å; L777-F781 PolarHBondContact O-N 2.96Å; L777-V824 HydrophobicContact CD2-CG1 3.95Å; L777-V824 HydrophobicContact CG-CG1 4.3Å; L777-L827 HydrophobicContact CD2-CD2 4.36Å; L777-M828 HydrophobicContact CB-CE 4.28Å; L777-M828 HydrophobicContact CB-CG 4.39Å; L777-M828 HydrophobicContact CD2-CE 4.28Å; L777-M828 HydrophobicContact CD2-CG 3.83Å; L777-M828 HydrophobicContact CG-CE 3.84Å; L777-M828 HydrophobicContact CG-CG 4.25Å |
| 778 | W | 98.1 | Very high | 96.2 | Very high | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.015 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.4 | -50.7 | 174.8 | -176.8 | 89.6 | 0 | 0 | 0 | 111.9 | G774 V775 T780 F781 T782 E786 P788 L814 P815 P817 M828 W832 | G774-W778 PolarHBondContact O-N 2.71Å; G774-W778 VanDerWaalsContact O-N 3.11Å; V775-W778 WeakPolarHBondContact O-CA 3.47Å; V775-W778 WeakPolarHBondContact O-CB 3.25Å; V775-W778 PolarHBondContact O-N 2.78Å; W778-T780 VanDerWaalsContact C-N 3.25Å; W778-T780 PolarHBondContact O-N 2.54Å; W778-F781 CarbonylContact O-C 3.24Å; W778-F781 PolarHBondContact O-N 3.27Å; W778-T782 HydrophobicContact CD2-CG2 3.96Å; W778-T782 HydrophobicContact CE3-CG2 4.21Å; W778-T782 HydrophobicContact CH2-CG2 3.95Å; W778-T782 HydrophobicContact CZ2-CG2 3.67Å; W778-T782 HydrophobicContact CZ3-CG2 4.2Å; W778-T782 PolarHBondContact O-N 3.31Å; W778-T782 PolarHBondContact O-OG1 2.98Å; W778-E786 HydrophobicContact CH2-CB 4.05Å; W778-E786 WeakPolarHBondContact CZ3-O 3.28Å; W778-P788 HydrophobicContact CE3-CB 4.43Å; W778-P788 HydrophobicContact CE3-CG 4.08Å; W778-P788 HydrophobicContact CZ3-CB 4.26Å; W778-P788 HydrophobicContact CZ3-CG 3.97Å; W778-L814 HydrophobicContact CB-CD1 4.12Å; W778-L814 HydrophobicContact CD2-CB 4.22Å; W778-L814 HydrophobicContact CD2-CD1 3.85Å; W778-L814 HydrophobicContact CD2-CG 4.42Å; W778-L814 HydrophobicContact CE3-CD1 4.14Å; W778-L814 HydrophobicContact CG-CB 4.08Å; W778-L814 HydrophobicContact CG-CD1 3.84Å; W778-L814 HydrophobicContact CZ2-CD2 4.38Å; W778-P815 VanDerWaalsContact CD1-O 3.3Å; W778-P815 HydrophobicContact CZ2-CG 4.41Å; W778-P815 PolarHBondContact NE1-O 3.5Å; W778-P817 HydrophobicContact CG-CG 4.31Å; W778-M828 HydrophobicContact CB-CE 4.38Å; W778-M828 HydrophobicContact CB-SD 4.18Å; W778-W832 HydrophobicContact CB-CH2 4.29Å; W778-W832 HydrophobicContact CB-CZ2 4.38Å |
| 779 | E | 97.5 | Very high | 96.2 | Very high | 3 Ų | 3 | 18.1 Ų | 18.1 | 1% | 0.014 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -51 | -45.8 | 173.4 | -67.3 | 174 | 83.6 | 0 | 0 | 111.5 | T713 W753 V775 T776 F781 T782 F783 C784 P788 | T713-E779 WeakPolarHBondContact CB-OE1 3.29Å; T713-E779 HydrophobicContact CG2-CB 3.51Å; T713-E779 HydrophobicContact CG2-CG 4.22Å; T713-E779 WeakPolarHBondContact CG2-OE1 3.41Å; T713-E779 PolarHBondContact N-OE1 2.87Å; T713-E779 PolarHBondContact N-OE2 2.87Å; T713-E779 PolarHBondContact OG1-OE1 3.35Å; W753-E779 HydrophobicContact CZ2-CG 4.39Å; W753-E779 VanDerWaalsContact NE1-CD 3.34Å; W753-E779 PolarHBondContact NE1-OE2 2.87Å; V775-E779 WeakPolarHBondContact O-CG 3.43Å; V775-E779 PolarHBondContact O-N 3.34Å; T776-E779 VanDerWaalsContact CA-OE2 3.24Å; T776-E779 WeakPolarHBondContact CA-OE2 3.26Å; E779-F781 VanDerWaalsContact C-N 3.27Å; E779-F781 PolarHBondContact O-N 2.98Å; E779-T782 WeakPolarHBondContact CA-OG1 3.27Å; E779-T782 PolarHBondContact O-N 3.4Å; E779-T782 PolarHBondContact O-OG1 2.92Å; E779-F783 PolarHBondContact O-N 2.8Å; E779-C784 PolarHBondContact O-N 2.88Å; E779-P788 HydrophobicContact CG-CG 4.14Å |
| 780 | T | 96.3 | Very high | 96 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.3 | -36.6 | -179.7 | -58 | 0 | 0 | 0 | 0 | 111.9 | L666 L687 T776 L777 W778 | L666-T780 HydrophobicContact CD1-CG2 4.2Å; L687-T780 HydrophobicContact CB-CG2 4.26Å; L687-T780 HydrophobicContact CD2-CG2 4.28Å; T776-T780 WeakPolarHBondContact O-CB 3.33Å; T776-T780 PolarHBondContact O-N 3.17Å; T776-T780 PolarHBondContact O-OG1 2.64Å; L777-T780 PolarHBondContact O-N 2.72Å; W778-T780 VanDerWaalsContact C-N 3.25Å; W778-T780 PolarHBondContact O-N 2.54Å |
| 781 | F | 95.3 | Very high | 95.7 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 1% | 0.013 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -91 | -8 | 179.5 | -76.7 | -69.6 | 0 | 0 | 0 | 114.6 | Y684 L687 L777 W778 E779 P817 I819 C820 V824 M828 | Y684-F781 AromaticContact CD2-CE1 3.67Å; Y684-F781 HydrophobicContact CD2-CE1 3.67Å; Y684-F781 HydrophobicContact CD2-CZ 4.36Å; Y684-F781 AromaticContact CE2-CE1 3.65Å; Y684-F781 HydrophobicContact CE2-CE1 3.65Å; Y684-F781 AromaticContact CE2-CZ 3.95Å; Y684-F781 HydrophobicContact CE2-CZ 3.95Å; L687-F781 HydrophobicContact CB-CD1 4.49Å; L687-F781 HydrophobicContact CB-CE1 3.96Å; L687-F781 HydrophobicContact CB-CZ 4.38Å; L687-F781 HydrophobicContact CD1-CD1 4.11Å; L687-F781 HydrophobicContact CD1-CE1 4.24Å; L777-F781 HydrophobicContact CD1-CD2 4.2Å; L777-F781 HydrophobicContact CD1-CE2 3.78Å; L777-F781 HydrophobicContact CG-CD2 4.24Å; L777-F781 HydrophobicContact CG-CE2 4.21Å; L777-F781 VanDerWaalsContact O-CD2 3.27Å; L777-F781 WeakPolarHBondContact O-CD2 3.46Å; L777-F781 PolarHBondContact O-N 2.96Å; W778-F781 CarbonylContact O-C 3.24Å; W778-F781 PolarHBondContact O-N 3.27Å; E779-F781 VanDerWaalsContact C-N 3.27Å; E779-F781 PolarHBondContact O-N 2.98Å; F781-P817 HydrophobicContact CB-CB 3.9Å; F781-P817 HydrophobicContact CB-CG 3.9Å; F781-P817 WeakPolarHBondContact O-CB 3.38Å; F781-I819 HydrophobicContact CD1-CD1 3.9Å; F781-I819 HydrophobicContact CD1-CG1 4.34Å; F781-I819 WeakPolarHBondContact O-CG1 3.44Å; F781-C820 HydrophobicContact CB-CB 4.07Å; F781-C820 HydrophobicContact CD1-CB 4.43Å; F781-C820 HydrophobicContact CG-CB 4.17Å; F781-V824 HydrophobicContact CD2-CG1 4.16Å; F781-V824 HydrophobicContact CE2-CG1 3.64Å; F781-V824 HydrophobicContact CZ-CG1 4.25Å; F781-M828 HydrophobicContact CB-CE 4.37Å; F781-M828 HydrophobicContact CD2-CE 3.83Å; F781-M828 HydrophobicContact CG-CE 4.48Å |
| 782 | T | 94.4 | Very high | 95.5 | Very high | 23 Ų | 23 | 27.7 Ų | 27.7 | 14% | 0.141 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 9.4 | 166.3 | 57.5 | 0 | 0 | 0 | 0 | 113.2 | W778 E779 C784 Q785 P817 | W778-T782 HydrophobicContact CD2-CG2 3.96Å; W778-T782 HydrophobicContact CE3-CG2 4.21Å; W778-T782 HydrophobicContact CH2-CG2 3.95Å; W778-T782 HydrophobicContact CZ2-CG2 3.67Å; W778-T782 HydrophobicContact CZ3-CG2 4.2Å; W778-T782 PolarHBondContact O-N 3.31Å; W778-T782 PolarHBondContact O-OG1 2.98Å; E779-T782 WeakPolarHBondContact CA-OG1 3.27Å; E779-T782 PolarHBondContact O-N 3.4Å; E779-T782 PolarHBondContact O-OG1 2.92Å; T782-C784 PolarHBondContact O-N 3.04Å; T782-C784 VanDerWaalsContact O-N 3.11Å; T782-Q785 WeakPolarHBondContact O-CB 3.46Å; T782-Q785 PolarHBondContact O-N 3.46Å; T782-P817 HydrophobicContact CG2-CB 3.85Å; T782-P817 HydrophobicContact CG2-CG 3.8Å |
| 783 | F | 94.3 | Very high | 95.3 | Very high | 8 Ų | 8 | 29.6 Ų | 29.6 | 4% | 0.035 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 26 | -172.9 | -74.6 | -100.6 | 0 | 0 | 0 | 113.2 | L666 S667 H669 E670 P671 V682 L687 E779 Q785 I819 | L666-F783 CarbonylContact C-O 3.54Å; L666-F783 VanDerWaalsContact C-O 3.24Å; S667-F783 VanDerWaalsContact CA-O 3.29Å; S667-F783 WeakPolarHBondContact CA-O 3.46Å; S667-F783 PolarHBondContact N-O 3.11Å; H669-F783 HydrophobicContact CB-CD1 4.25Å; H669-F783 HydrophobicContact CB-CE1 4.27Å; H669-F783 WeakPolarHBondContact O-CD1 3.44Å; E670-F783 VanDerWaalsContact C-CE1 3.5Å; P671-F783 HydrophobicContact CB-CE2 3.92Å; P671-F783 HydrophobicContact CB-CZ 3.91Å; P671-F783 HydrophobicContact CG-CE2 4.16Å; P671-F783 HydrophobicContact CG-CZ 4.41Å; V682-F783 HydrophobicContact CB-CE1 4.04Å; L687-F783 HydrophobicContact CD1-CE2 3.96Å; L687-F783 HydrophobicContact CD1-CZ 3.9Å; L687-F783 HydrophobicContact CD2-CE1 4.45Å; E779-F783 PolarHBondContact O-N 2.8Å; F783-Q785 HydrophobicContact CB-CG 3.99Å; F783-Q785 PolarHBondContact O-N 3.45Å; F783-Q785 VanDerWaalsContact O-N 3.1Å; F783-I819 HydrophobicContact CD2-CD1 4.29Å; F783-I819 HydrophobicContact CE2-CD1 3.56Å; F783-I819 HydrophobicContact CE2-CG1 4.38Å; F783-I819 HydrophobicContact CZ-CD1 4.38Å |
| 784 | C | 94 | Very high | 94.8 | Very high | 14 Ų | 14 | 31.3 Ų | 31.3 | 10% | 0.095 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 21.8 | -174.1 | -54.9 | 0 | 0 | 0 | 0 | 114.4 | L666 T713 E779 T782 E786 | L666-C784 HydrophobicContact CB-CB 4.33Å; T713-C784 PolarHBondContact OG1-SG 2.88Å; E779-C784 PolarHBondContact O-N 2.88Å; T782-C784 PolarHBondContact O-N 3.04Å; T782-C784 VanDerWaalsContact O-N 3.11Å; C784-E786 VanDerWaalsContact C-N 3.32Å |
| 785 | Q | 90.4 | Very high | 94.3 | Very high | 124 Ų | 124 | 35.9 Ų | 35.9 | 58% | 0.579 | 19% | 0.185 | S | C | * | . | trans | -77.3 | -17.1 | -178.1 | -63.6 | -177.9 | -2 | 0 | 0 | 113.4 | T782 F783 | T782-Q785 WeakPolarHBondContact O-CB 3.46Å; T782-Q785 PolarHBondContact O-N 3.46Å; F783-Q785 HydrophobicContact CB-CG 3.99Å; F783-Q785 PolarHBondContact O-N 3.45Å; F783-Q785 VanDerWaalsContact O-N 3.1Å | ||
| 786 | E | 91.1 | Very high | 94 | Very high | 110 Ų | 110 | 40 Ų | 40 | 51% | 0.514 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -131.8 | 139.6 | 179.2 | -66.2 | -178.1 | -165.7 | 0 | 0 | 110.7 | W778 C784 | W778-E786 HydrophobicContact CH2-CB 4.05Å; W778-E786 WeakPolarHBondContact CZ3-O 3.28Å; C784-E786 VanDerWaalsContact C-N 3.32Å |
| 787 | Q | 93.4 | Very high | 93.7 | Very high | 60 Ų | 60 | 40.2 Ų | 40.2 | 28% | 0.28 | 21% | 0.205 | S | C | . | . | trans | -69.8 | 141.6 | 170.4 | -166.7 | -172.6 | 52 | 0 | 0 | 110 | G738 D739 W753 Y789 S790 | G738-Q787 PolarHBondContact O-NE2 3.03Å; D739-Q787 PolarHBondContact OD1-NE2 2.77Å; W753-Q787 HydrophobicContact CH2-CG 4.44Å; Q787-Y789 PolarHBondContact O-N 2.71Å; Q787-S790 VanDerWaalsContact O-CB 3.29Å; Q787-S790 WeakPolarHBondContact O-CB 3.44Å; Q787-S790 PolarHBondContact O-N 2.89Å | ||
| 788 | P | 96.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.013 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | 127.8 | 172.4 | -25.7 | 34.3 | 0 | 0 | 0 | 112.1 | R752 W753 V775 W778 E779 S790 L814 | R752-P788 HydrophobicContact CB-CB 4.37Å; R752-P788 WeakPolarHBondContact CD-O 3.43Å; R752-P788 PolarHBondContact NH1-O 3.29Å; W753-P788 HydrophobicContact CH2-CG 4.04Å; W753-P788 HydrophobicContact CZ2-CG 3.67Å; V775-P788 HydrophobicContact CG1-CB 3.7Å; V775-P788 HydrophobicContact CG1-CG 3.45Å; V775-P788 VanDerWaalsContact CG1-CG 3.45Å; W778-P788 HydrophobicContact CE3-CB 4.43Å; W778-P788 HydrophobicContact CE3-CG 4.08Å; W778-P788 HydrophobicContact CZ3-CB 4.26Å; W778-P788 HydrophobicContact CZ3-CG 3.97Å; E779-P788 HydrophobicContact CG-CG 4.14Å; P788-S790 VanDerWaalsContact C-N 3.32Å; P788-S790 PolarHBondContact O-N 3.24Å; P788-L814 HydrophobicContact CB-CD1 4.1Å; P788-L814 HydrophobicContact CB-CD2 4.05Å |
| 789 | Y | 95.8 | Very high | 92.8 | Very high | 9 Ų | 9 | 48.2 Ų | 48.2 | 4% | 0.035 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 35 | -173.5 | -50.2 | -83 | 0 | 0 | 0 | 114.1 | R752 Q787 Q791 L792 V797 L814 | R752-Y789 PolarHBondContact NH1-O 3.16Å; Q787-Y789 PolarHBondContact O-N 2.71Å; Y789-Q791 VanDerWaalsContact C-OE1 3.24Å; Y789-Q791 PolarHBondContact O-N 3.18Å; Y789-L792 HydrophobicContact CD1-CD1 4.07Å; Y789-L792 HydrophobicContact CG-CD1 4.46Å; Y789-L792 PolarHBondContact O-N 3.1Å; Y789-V797 HydrophobicContact CG-CG2 4.35Å; Y789-L814 HydrophobicContact CD1-CD2 3.72Å; Y789-L814 HydrophobicContact CD1-CG 4.42Å; Y789-L814 HydrophobicContact CD2-CD2 3.73Å; Y789-L814 HydrophobicContact CD2-CG 4.39Å; Y789-L814 HydrophobicContact CE1-CD2 3.75Å; Y789-L814 HydrophobicContact CE1-CG 3.94Å; Y789-L814 HydrophobicContact CE2-CD1 4.26Å; Y789-L814 HydrophobicContact CE2-CD2 3.76Å; Y789-L814 HydrophobicContact CE2-CG 3.9Å; Y789-L814 HydrophobicContact CG-CD2 3.7Å; Y789-L814 VanDerWaalsContact N-CD2 3.26Å |
| 790 | S | 92.8 | Very high | 92.6 | Very high | 65 Ų | 65 | 48.7 Ų | 48.7 | 46% | 0.455 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49 | -26.1 | 177.7 | 55.7 | 0 | 0 | 0 | 0 | 114.9 | Q787 P788 L792 | Q787-S790 VanDerWaalsContact O-CB 3.29Å; Q787-S790 WeakPolarHBondContact O-CB 3.44Å; Q787-S790 PolarHBondContact O-N 2.89Å; P788-S790 VanDerWaalsContact C-N 3.32Å; P788-S790 PolarHBondContact O-N 3.24Å; S790-L792 VanDerWaalsContact C-N 3.34Å |
| 791 | Q | 92.2 | Very high | 92.2 | Very high | 110 Ų | 110 | 49 Ų | 49 | 51% | 0.514 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -1.7 | 176.8 | 80.2 | -73.7 | 5.9 | 0 | 0 | 115.2 | Y789 | Y789-Q791 VanDerWaalsContact C-OE1 3.24Å; Y789-Q791 PolarHBondContact O-N 3.18Å |
| 792 | L | 93.3 | Very high | 91.6 | Very high | 36 Ų | 36 | 49.2 Ų | 49.2 | 19% | 0.188 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -120.6 | 143.2 | -178.6 | -59.3 | -175.6 | 0 | 0 | 0 | 111.1 | R752 Y789 S790 Q796 V797 | R752-L792 PolarHBondContact NH2-O 3.46Å; Y789-L792 HydrophobicContact CD1-CD1 4.07Å; Y789-L792 HydrophobicContact CG-CD1 4.46Å; Y789-L792 PolarHBondContact O-N 3.1Å; S790-L792 VanDerWaalsContact C-N 3.34Å; L792-Q796 HydrophobicContact CB-CB 3.96Å; L792-Q796 HydrophobicContact CD2-CB 4.34Å; L792-V797 HydrophobicContact CB-CG2 3.99Å; L792-V797 HydrophobicContact CD1-CG2 4.43Å |
| 793 | S | 93.6 | Very high | 91.4 | Very high | 46 Ų | 46 | 49.4 Ų | 49.4 | 32% | 0.322 | 25% | 0.251 | S | S | . | . | trans | -68.6 | 166.2 | 166.6 | 88.1 | 0 | 0 | 0 | 0 | 111.6 | E795 Q796 V797 | S793-E795 VanDerWaalsContact C-N 3.28Å; S793-E795 VanDerWaalsContact CB-OE2 3.26Å; S793-E795 WeakPolarHBondContact CB-OE2 3.24Å; S793-E795 PolarHBondContact O-N 3.31Å; S793-E795 PolarHBondContact OG-N 2.91Å; S793-E795 PolarHBondContact OG-OE2 3.33Å; S793-Q796 PolarHBondContact O-N 3.48Å; S793-Q796 VanDerWaalsContact O-N 3.13Å; S793-Q796 PolarHBondContact OG-N 2.77Å; S793-V797 WeakPolarHBondContact O-CG2 3.49Å; S793-V797 PolarHBondContact O-N 2.91Å | ||
| 794 | D | 89.1 | Confident | 91.2 | Very high | 36 Ų | 36 | 49.1 Ų | 49.1 | 19% | 0.193 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.5 | -35.7 | 178.5 | -75.1 | -8.7 | 0 | 0 | 0 | 111.9 | Y741 I751 R752 V797 I798 | Y741-D794 HydrophobicContact CD2-CB 3.47Å; Y741-D794 VanDerWaalsContact CD2-CB 3.47Å; Y741-D794 WeakPolarHBondContact CD2-OD2 3.37Å; Y741-D794 HydrophobicContact CE2-CB 3.69Å; Y741-D794 HydrophobicContact CG-CB 4.24Å; I751-D794 HydrophobicContact CD1-CB 3.68Å; I751-D794 WeakPolarHBondContact CD1-O 3.49Å; R752-D794 IonicContact CZ-OD1 2.71Å; R752-D794 VanDerWaalsContact CZ-OD1 3.26Å; R752-D794 IonicContact NE-OD1 3.82Å; R752-D794 PolarHBondContact NE-OD1 3.08Å; R752-D794 IonicContact NH2-OD1 2.96Å; R752-D794 PolarHBondContact NH2-OD1 2.96Å; D794-V797 PolarHBondContact O-N 3.22Å; D794-I798 WeakPolarHBondContact O-CG1 3.35Å; D794-I798 PolarHBondContact O-N 3.02Å |
| 795 | E | 88.3 | Confident | 90.6 | Very high | 97 Ų | 97 | 53.7 Ų | 53.7 | 45% | 0.453 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 171.7 | -56.4 | 68.7 | -147.3 | 0 | 0 | 110.7 | S793 V797 I798 E799 | S793-E795 VanDerWaalsContact C-N 3.28Å; S793-E795 VanDerWaalsContact CB-OE2 3.26Å; S793-E795 WeakPolarHBondContact CB-OE2 3.24Å; S793-E795 PolarHBondContact O-N 3.31Å; S793-E795 PolarHBondContact OG-N 2.91Å; S793-E795 PolarHBondContact OG-OE2 3.33Å; E795-V797 VanDerWaalsContact C-N 3.33Å; E795-V797 PolarHBondContact O-N 3.35Å; E795-I798 CarbonylContact O-C 3.57Å; E795-I798 WeakPolarHBondContact O-CA 3.26Å; E795-I798 WeakPolarHBondContact O-CB 3.39Å; E795-I798 PolarHBondContact O-N 3.48Å; E795-I798 VanDerWaalsContact O-N 3.1Å; E795-E799 WeakPolarHBondContact O-CG 3.39Å; E795-E799 PolarHBondContact O-N 3.05Å |
| 796 | Q | 92 | Very high | 90.2 | Very high | 87 Ų | 87 | 54.2 Ų | 54.2 | 41% | 0.407 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.2 | -31.7 | 178.4 | -69.6 | 176.1 | -28.6 | 0 | 0 | 112.7 | L792 S793 N800 | L792-Q796 HydrophobicContact CB-CB 3.96Å; L792-Q796 HydrophobicContact CD2-CB 4.34Å; S793-Q796 PolarHBondContact O-N 3.48Å; S793-Q796 VanDerWaalsContact O-N 3.13Å; S793-Q796 PolarHBondContact OG-N 2.77Å; Q796-N800 VanDerWaalsContact O-CB 3.29Å; Q796-N800 WeakPolarHBondContact O-CB 3.32Å; Q796-N800 PolarHBondContact O-N 2.89Å |
| 797 | V | 92.4 | Very high | 90.1 | Very high | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.03 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 170.1 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | I751 R752 Y789 L792 S793 D794 E795 N800 T801 | I751-V797 HydrophobicContact CD1-CB 4.28Å; I751-V797 HydrophobicContact CD1-CG1 4.14Å; I751-V797 HydrophobicContact CG1-CG1 4.32Å; R752-V797 HydrophobicContact CG-CG1 4.21Å; R752-V797 HydrophobicContact CG-CG2 4.21Å; Y789-V797 HydrophobicContact CG-CG2 4.35Å; L792-V797 HydrophobicContact CB-CG2 3.99Å; L792-V797 HydrophobicContact CD1-CG2 4.43Å; S793-V797 WeakPolarHBondContact O-CG2 3.49Å; S793-V797 PolarHBondContact O-N 2.91Å; D794-V797 PolarHBondContact O-N 3.22Å; E795-V797 VanDerWaalsContact C-N 3.33Å; E795-V797 PolarHBondContact O-N 3.35Å; V797-N800 PolarHBondContact O-N 3.34Å; V797-T801 PolarHBondContact O-N 3.21Å |
| 798 | I | 89.1 | Confident | 89.7 | Confident | 45 Ų | 45 | 55.5 Ų | 55.5 | 23% | 0.231 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.9 | -46.2 | 174.8 | -66.2 | 162.9 | 0 | 0 | 0 | 110.9 | Y741 I751 I759 D794 E795 N800 T801 G802 | Y741-I798 HydrophobicContact CD1-CD1 3.8Å; Y741-I798 HydrophobicContact CE1-CD1 3.51Å; I751-I798 HydrophobicContact CD1-CD1 4.14Å; I751-I798 HydrophobicContact CD1-CG1 4.03Å; I759-I798 HydrophobicContact CG2-CG1 4.44Å; I759-I798 HydrophobicContact CG2-CG2 4.37Å; D794-I798 WeakPolarHBondContact O-CG1 3.35Å; D794-I798 PolarHBondContact O-N 3.02Å; E795-I798 CarbonylContact O-C 3.57Å; E795-I798 WeakPolarHBondContact O-CA 3.26Å; E795-I798 WeakPolarHBondContact O-CB 3.39Å; E795-I798 PolarHBondContact O-N 3.48Å; E795-I798 VanDerWaalsContact O-N 3.1Å; I798-N800 VanDerWaalsContact C-N 3.29Å; I798-N800 PolarHBondContact O-N 3.4Å; I798-T801 WeakPolarHBondContact O-CB 3.46Å; I798-T801 PolarHBondContact O-N 2.96Å; I798-T801 PolarHBondContact O-OG1 3.09Å; I798-G802 PolarHBondContact O-N 3.2Å |
| 799 | E | 87.5 | Confident | 89.2 | Confident | 129 Ų | 129 | 58.6 Ų | 58.6 | 60% | 0.603 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -56.9 | -41.2 | 174.8 | -73.2 | -177 | 161.9 | 0 | 0 | 112.3 | E795 T801 G802 E803 | E795-E799 WeakPolarHBondContact O-CG 3.39Å; E795-E799 PolarHBondContact O-N 3.05Å; E799-T801 VanDerWaalsContact C-N 3.27Å; E799-T801 PolarHBondContact O-N 2.77Å; E799-G802 VanDerWaalsContact O-CA 3.24Å; E799-G802 WeakPolarHBondContact O-CA 3.39Å; E799-G802 PolarHBondContact O-N 3.31Å; E799-E803 PolarHBondContact O-N 3.02Å; E799-E803 VanDerWaalsContact O-N 3.13Å |
| 800 | N | 92 | Very high | 88.9 | Confident | 13 Ų | 13 | 65.7 Ų | 65.7 | 7% | 0.07 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.3 | -36.8 | 175.9 | -173.4 | 31.9 | 0 | 0 | 0 | 111.7 | Q796 V797 I798 G802 E803 F804 Q811 T812 | Q796-N800 VanDerWaalsContact O-CB 3.29Å; Q796-N800 WeakPolarHBondContact O-CB 3.32Å; Q796-N800 PolarHBondContact O-N 2.89Å; V797-N800 PolarHBondContact O-N 3.34Å; I798-N800 VanDerWaalsContact C-N 3.29Å; I798-N800 PolarHBondContact O-N 3.4Å; N800-G802 PolarHBondContact O-N 3.27Å; N800-E803 PolarHBondContact O-N 3.31Å; N800-E803 VanDerWaalsContact O-N 3.08Å; N800-F804 WeakPolarHBondContact O-CD2 3.22Å; N800-F804 PolarHBondContact O-N 3.01Å; N800-Q811 WeakPolarHBondContact OD1-CA 3.44Å; N800-T812 PolarHBondContact ND2-O 3.24Å; N800-T812 PolarHBondContact OD1-N 3.16Å |
| 801 | T | 89.4 | Confident | 88.8 | Confident | 7 Ų | 7 | 64.1 Ų | 64.1 | 4% | 0.043 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.7 | -28.7 | 171.9 | 73.3 | 0 | 0 | 0 | 0 | 113.1 | W756 I759 V797 I798 E799 F804 F805 | W756-T801 HydrophobicContact CB-CG2 4.28Å; I759-T801 HydrophobicContact CD1-CG2 3.88Å; V797-T801 PolarHBondContact O-N 3.21Å; I798-T801 WeakPolarHBondContact O-CB 3.46Å; I798-T801 PolarHBondContact O-N 2.96Å; I798-T801 PolarHBondContact O-OG1 3.09Å; E799-T801 VanDerWaalsContact C-N 3.27Å; E799-T801 PolarHBondContact O-N 2.77Å; T801-F804 PolarHBondContact O-N 2.98Å; T801-F805 PolarHBondContact O-N 3.21Å |
| 802 | G | 82.4 | Confident | 88.9 | Confident | 8 Ų | 8 | 61.8 Ų | 61.8 | 8% | 0.082 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 168 | 0 | 0 | 0 | 0 | 0 | 112.6 | I798 E799 N800 F805 R806 | I798-G802 PolarHBondContact O-N 3.2Å; E799-G802 VanDerWaalsContact O-CA 3.24Å; E799-G802 WeakPolarHBondContact O-CA 3.39Å; E799-G802 PolarHBondContact O-N 3.31Å; N800-G802 PolarHBondContact O-N 3.27Å; G802-F805 WeakPolarHBondContact O-CB 3.35Å; G802-F805 PolarHBondContact O-N 3.14Å; G802-R806 WeakPolarHBondContact O-CB 3.39Å; G802-R806 VanDerWaalsContact O-CD 3.32Å; G802-R806 WeakPolarHBondContact O-CD 3.47Å; G802-R806 WeakPolarHBondContact O-CG 3.3Å; G802-R806 PolarHBondContact O-N 3.01Å |
| 803 | E | 89.8 | Confident | 89 | Confident | 27 Ų | 27 | 63.6 Ų | 63.6 | 13% | 0.126 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.6 | -37.2 | 173.9 | -66.8 | -54.1 | 129.3 | 0 | 0 | 112.8 | E799 N800 F805 R806 D807 R810 Q811 | E799-E803 PolarHBondContact O-N 3.02Å; E799-E803 VanDerWaalsContact O-N 3.13Å; N800-E803 PolarHBondContact O-N 3.31Å; N800-E803 VanDerWaalsContact O-N 3.08Å; E803-F805 VanDerWaalsContact C-N 3.29Å; E803-F805 PolarHBondContact O-N 2.88Å; E803-R806 PolarHBondContact O-N 2.99Å; E803-R806 WeakPolarHBondContact OE1-CD 3.43Å; E803-R806 IonicContact OE1-CZ 3.9Å; E803-R806 IonicContact OE1-NE 3.98Å; E803-R806 IonicContact OE1-NH1 3.41Å; E803-R806 PolarHBondContact OE1-NH1 3.48Å; E803-D807 PolarHBondContact O-N 2.8Å; E803-R810 HydrophobicContact CB-CB 4.39Å; E803-R810 HydrophobicContact CG-CB 4.1Å; E803-R810 WeakPolarHBondContact OE2-CB 3.06Å; E803-R810 WeakPolarHBondContact OE2-CD 3.36Å; E803-Q811 HydrophobicContact CB-CB 4.07Å |
| 804 | F | 89.4 | Confident | 89.2 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.009 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.9 | -38.8 | 167.9 | -84.8 | -77.3 | 0 | 0 | 0 | 112.1 | W756 W771 N800 T801 Q811 Y813 R834 | W756-F804 HydrophobicContact CB-CB 3.82Å; W756-F804 HydrophobicContact CG-CB 3.95Å; W771-F804 AromaticContact CH2-CD1 3.68Å; W771-F804 HydrophobicContact CH2-CD1 3.68Å; W771-F804 HydrophobicContact CH2-CD2 4.09Å; W771-F804 AromaticContact CH2-CE1 3.54Å; W771-F804 HydrophobicContact CH2-CE1 3.54Å; W771-F804 AromaticContact CH2-CE2 3.99Å; W771-F804 HydrophobicContact CH2-CE2 3.99Å; W771-F804 AromaticContact CH2-CG 3.95Å; W771-F804 HydrophobicContact CH2-CG 3.95Å; W771-F804 AromaticContact CH2-CZ 3.72Å; W771-F804 HydrophobicContact CH2-CZ 3.72Å; W771-F804 HydrophobicContact CZ2-CD2 4.47Å; W771-F804 HydrophobicContact CZ2-CE1 4.44Å; W771-F804 HydrophobicContact CZ2-CE2 4.2Å; W771-F804 HydrophobicContact CZ2-CZ 4.18Å; W771-F804 HydrophobicContact CZ3-CD1 4.33Å; W771-F804 HydrophobicContact CZ3-CE1 4.25Å; N800-F804 WeakPolarHBondContact O-CD2 3.22Å; N800-F804 PolarHBondContact O-N 3.01Å; T801-F804 PolarHBondContact O-N 2.98Å; F804-Q811 HydrophobicContact CD1-CB 4.04Å; F804-Q811 HydrophobicContact CD1-CG 3.78Å; F804-Q811 HydrophobicContact CD2-CB 3.76Å; F804-Q811 HydrophobicContact CD2-CG 4.36Å; F804-Q811 HydrophobicContact CE1-CB 4.15Å; F804-Q811 HydrophobicContact CE1-CG 3.68Å; F804-Q811 HydrophobicContact CE2-CB 3.85Å; F804-Q811 HydrophobicContact CE2-CG 4.26Å; F804-Q811 HydrophobicContact CG-CB 3.84Å; F804-Q811 HydrophobicContact CG-CG 4.13Å; F804-Q811 HydrophobicContact CZ-CB 4.05Å; F804-Q811 HydrophobicContact CZ-CG 3.92Å; F804-Y813 HydrophobicContact CE1-CD1 4.2Å; F804-Y813 AromaticContact CE1-CE1 3.46Å; F804-Y813 HydrophobicContact CE1-CE1 3.46Å; F804-Y813 VanDerWaalsContact CE1-CE1 3.46Å; F804-Y813 HydrophobicContact CE1-CE2 4.49Å; F804-Y813 AromaticContact CE1-CZ 3.62Å; F804-Y813 AromaticContact CZ-CD1 3.83Å; F804-Y813 HydrophobicContact CZ-CD1 3.83Å; F804-Y813 AromaticContact CZ-CE1 3.58Å; F804-Y813 HydrophobicContact CZ-CE1 3.58Å; F804-Y813 HydrophobicContact CZ-CE2 4.48Å; F804-Y813 HydrophobicContact CZ-CG 4.4Å; F804-Y813 AromaticContact CZ-CZ 3.92Å; F804-R834 WeakPolarHBondContact O-CD 3.34Å; F804-R834 WeakPolarHBondContact O-CG 3.36Å; F804-R834 PolarHBondContact O-NE 2.95Å |
| 805 | F | 82.4 | Confident | 89.5 | Confident | 109 Ų | 109 | 63.1 Ų | 63.1 | 48% | 0.478 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.4 | -40.8 | 173.7 | 174.9 | -113.9 | 0 | 0 | 0 | 112.4 | W756 L760 T801 G802 E803 R834 | W756-F805 HydrophobicContact CE3-CB 3.98Å; W756-F805 HydrophobicContact CE3-CD2 4.14Å; W756-F805 HydrophobicContact CE3-CG 4.49Å; W756-F805 AromaticContact CH2-CD2 3.93Å; W756-F805 HydrophobicContact CH2-CD2 3.93Å; W756-F805 HydrophobicContact CZ3-CB 4.21Å; W756-F805 AromaticContact CZ3-CD2 3.47Å; W756-F805 HydrophobicContact CZ3-CD2 3.47Å; W756-F805 VanDerWaalsContact CZ3-CD2 3.47Å; W756-F805 HydrophobicContact CZ3-CE2 4.29Å; W756-F805 HydrophobicContact CZ3-CG 4.24Å; L760-F805 HydrophobicContact CD1-CB 3.81Å; L760-F805 HydrophobicContact CD1-CG 4.41Å; T801-F805 PolarHBondContact O-N 3.21Å; G802-F805 WeakPolarHBondContact O-CB 3.35Å; G802-F805 PolarHBondContact O-N 3.14Å; E803-F805 VanDerWaalsContact C-N 3.29Å; E803-F805 PolarHBondContact O-N 2.88Å; F805-R834 PolarHBondContact O-NE 3.47Å; F805-R834 PolarHBondContact O-NH2 2.86Å |
| 806 | R | 82 | Confident | 89.9 | Confident | 136 Ų | 136 | 62.1 Ų | 62.1 | 51% | 0.513 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -72.4 | -24.6 | -177.9 | -70.2 | 159.9 | -173.8 | 146.6 | 7.1 | 114.3 | G802 E803 Q808 | G802-R806 WeakPolarHBondContact O-CB 3.39Å; G802-R806 VanDerWaalsContact O-CD 3.32Å; G802-R806 WeakPolarHBondContact O-CD 3.47Å; G802-R806 WeakPolarHBondContact O-CG 3.3Å; G802-R806 PolarHBondContact O-N 3.01Å; E803-R806 PolarHBondContact O-N 2.99Å; E803-R806 WeakPolarHBondContact OE1-CD 3.43Å; E803-R806 IonicContact OE1-CZ 3.9Å; E803-R806 IonicContact OE1-NE 3.98Å; E803-R806 IonicContact OE1-NH1 3.41Å; E803-R806 PolarHBondContact OE1-NH1 3.48Å; R806-Q808 VanDerWaalsContact C-N 3.29Å; R806-Q808 HydrophobicContact CB-CG 4.15Å; R806-Q808 PolarHBondContact O-N 2.96Å |
| 807 | D | 87.9 | Confident | 89.9 | Confident | 88 Ų | 88 | 58.4 Ų | 58.4 | 47% | 0.471 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60 | 31.6 | 176.4 | -139.6 | -1.9 | 0 | 0 | 0 | 114.2 | E803 R834 | E803-D807 PolarHBondContact O-N 2.8Å; D807-R834 WeakPolarHBondContact OD2-CD 3.3Å; D807-R834 IonicContact OD2-CZ 3.03Å; D807-R834 IonicContact OD2-NE 3.79Å; D807-R834 PolarHBondContact OD2-NE 3.26Å; D807-R834 IonicContact OD2-NH1 2.83Å; D807-R834 PolarHBondContact OD2-NH1 3.29Å |
| 808 | Q | 85.7 | Confident | 89.7 | Confident | 109 Ų | 109 | 63.6 Ų | 63.6 | 51% | 0.509 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -90.6 | 8.2 | -174.6 | -66.7 | -175 | 23.1 | 0 | 0 | 114.4 | R806 R810 | R806-Q808 VanDerWaalsContact C-N 3.29Å; R806-Q808 HydrophobicContact CB-CG 4.15Å; R806-Q808 PolarHBondContact O-N 2.96Å; Q808-R810 VanDerWaalsContact C-N 3.27Å; Q808-R810 HydrophobicContact CB-CG 4.34Å; Q808-R810 PolarHBondContact O-N 2.97Å; Q808-R810 VanDerWaalsContact OE1-NH2 3.12Å |
| 809 | G | 86.3 | Confident | 89.5 | Confident | 66 Ų | 66 | 64.2 Ų | 64.2 | 68% | 0.68 | 34% | 0.338 | S | S | * | . | S | Bend | trans | 70.9 | 21.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q811 | G809-Q811 VanDerWaalsContact CA-OE1 3.24Š|
| 810 | R | 88.8 | Confident | 89.7 | Confident | 159 Ų | 159 | 58.3 Ų | 58.3 | 60% | 0.6 | 31% | 0.312 | S | S | * | . | trans | -105.2 | -10.3 | 178 | -57.9 | -177.3 | -172 | 156.3 | 4.6 | 113.4 | E803 Q808 | E803-R810 HydrophobicContact CB-CB 4.39Å; E803-R810 HydrophobicContact CG-CB 4.1Å; E803-R810 WeakPolarHBondContact OE2-CB 3.06Å; E803-R810 WeakPolarHBondContact OE2-CD 3.36Å; Q808-R810 VanDerWaalsContact C-N 3.27Å; Q808-R810 HydrophobicContact CB-CG 4.34Å; Q808-R810 PolarHBondContact O-N 2.97Å; Q808-R810 VanDerWaalsContact OE1-NH2 3.12Å | ||
| 811 | Q | 91.4 | Very high | 89.6 | Confident | 32 Ų | 32 | 60 Ų | 60 | 15% | 0.15 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 134.7 | 179.8 | 68.7 | -79.7 | 7.9 | 0 | 0 | 111 | N800 E803 F804 G809 Y813 | N800-Q811 WeakPolarHBondContact OD1-CA 3.44Å; E803-Q811 HydrophobicContact CB-CB 4.07Å; F804-Q811 HydrophobicContact CD1-CB 4.04Å; F804-Q811 HydrophobicContact CD1-CG 3.78Å; F804-Q811 HydrophobicContact CD2-CB 3.76Å; F804-Q811 HydrophobicContact CD2-CG 4.36Å; F804-Q811 HydrophobicContact CE1-CB 4.15Å; F804-Q811 HydrophobicContact CE1-CG 3.68Å; F804-Q811 HydrophobicContact CE2-CB 3.85Å; F804-Q811 HydrophobicContact CE2-CG 4.26Å; F804-Q811 HydrophobicContact CG-CB 3.84Å; F804-Q811 HydrophobicContact CG-CG 4.13Å; F804-Q811 HydrophobicContact CZ-CB 4.05Å; F804-Q811 HydrophobicContact CZ-CG 3.92Å; G809-Q811 VanDerWaalsContact CA-OE1 3.24Å; Q811-Y813 HydrophobicContact CG-CE2 3.7Å; Q811-Y813 PolarHBondContact NE2-OH 3.11Å |
| 812 | T | 93.9 | Very high | 89.8 | Confident | 60 Ų | 60 | 63.7 Ų | 63.7 | 37% | 0.368 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -94.9 | 128.5 | -180 | -63.6 | 0 | 0 | 0 | 0 | 109.5 | N800 | N800-T812 PolarHBondContact ND2-O 3.24Å; N800-T812 PolarHBondContact OD1-N 3.16Å |
| 813 | Y | 96.1 | Very high | 90.2 | Very high | 75 Ų | 75 | 65.6 Ų | 65.6 | 29% | 0.294 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -100.6 | 158.6 | 173.2 | -62.1 | -92.4 | 0 | 0 | 0 | 110.2 | F804 Q811 L829 W832 | F804-Y813 HydrophobicContact CE1-CD1 4.2Å; F804-Y813 AromaticContact CE1-CE1 3.46Å; F804-Y813 HydrophobicContact CE1-CE1 3.46Å; F804-Y813 VanDerWaalsContact CE1-CE1 3.46Å; F804-Y813 HydrophobicContact CE1-CE2 4.49Å; F804-Y813 AromaticContact CE1-CZ 3.62Å; F804-Y813 AromaticContact CZ-CD1 3.83Å; F804-Y813 HydrophobicContact CZ-CD1 3.83Å; F804-Y813 AromaticContact CZ-CE1 3.58Å; F804-Y813 HydrophobicContact CZ-CE1 3.58Å; F804-Y813 HydrophobicContact CZ-CE2 4.48Å; F804-Y813 HydrophobicContact CZ-CG 4.4Å; F804-Y813 AromaticContact CZ-CZ 3.92Å; Q811-Y813 HydrophobicContact CG-CE2 3.7Å; Q811-Y813 PolarHBondContact NE2-OH 3.11Å; Y813-L829 HydrophobicContact CD1-CD2 3.98Å; Y813-L829 HydrophobicContact CG-CD2 4.14Å; Y813-W832 HydrophobicContact CD1-CB 4.06Å; Y813-W832 HydrophobicContact CD1-CE3 4.06Å; Y813-W832 HydrophobicContact CE1-CB 4.01Å |
| 814 | L | 96.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 139.5 | 169.5 | -63.8 | 170.6 | 0 | 0 | 0 | 110.3 | V775 W778 P788 Y789 Y825 W832 | V775-L814 HydrophobicContact CB-CD1 4.48Å; V775-L814 HydrophobicContact CG1-CD1 4.04Å; V775-L814 HydrophobicContact CG2-CD1 4.17Å; W778-L814 HydrophobicContact CB-CD1 4.12Å; W778-L814 HydrophobicContact CD2-CB 4.22Å; W778-L814 HydrophobicContact CD2-CD1 3.85Å; W778-L814 HydrophobicContact CD2-CG 4.42Å; W778-L814 HydrophobicContact CE3-CD1 4.14Å; W778-L814 HydrophobicContact CG-CB 4.08Å; W778-L814 HydrophobicContact CG-CD1 3.84Å; W778-L814 HydrophobicContact CZ2-CD2 4.38Å; P788-L814 HydrophobicContact CB-CD1 4.1Å; P788-L814 HydrophobicContact CB-CD2 4.05Å; Y789-L814 HydrophobicContact CD1-CD2 3.72Å; Y789-L814 HydrophobicContact CD1-CG 4.42Å; Y789-L814 HydrophobicContact CD2-CD2 3.73Å; Y789-L814 HydrophobicContact CD2-CG 4.39Å; Y789-L814 HydrophobicContact CE1-CD2 3.75Å; Y789-L814 HydrophobicContact CE1-CG 3.94Å; Y789-L814 HydrophobicContact CE2-CD1 4.26Å; Y789-L814 HydrophobicContact CE2-CD2 3.76Å; Y789-L814 HydrophobicContact CE2-CG 3.9Å; Y789-L814 HydrophobicContact CG-CD2 3.7Å; Y789-L814 VanDerWaalsContact N-CD2 3.26Å; L814-Y825 WeakPolarHBondContact O-CE2 3.5Å; L814-Y825 PolarHBondContact O-OH 3.2Å; L814-Y825 VanDerWaalsContact O-OH 3.05Å; L814-W832 HydrophobicContact CB-CH2 3.76Å; L814-W832 HydrophobicContact CB-CZ2 4.44Å; L814-W832 HydrophobicContact CB-CZ3 4.17Å; L814-W832 HydrophobicContact CD1-CH2 3.93Å; L814-W832 HydrophobicContact CD1-CZ2 3.78Å; L814-W832 HydrophobicContact CG-CH2 4.27Å; L814-W832 HydrophobicContact CG-CZ2 4.48Å |
| 815 | P | 95.9 | Very high | 90.7 | Very high | 71 Ų | 71 | 66.1 Ų | 66.1 | 46% | 0.461 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 158.1 | -177.3 | 30.5 | -36.2 | 0 | 0 | 0 | 112.2 | W778 P817 | W778-P815 VanDerWaalsContact CD1-O 3.3Å; W778-P815 HydrophobicContact CZ2-CG 4.41Å; W778-P815 PolarHBondContact NE1-O 3.5Å; P815-P817 VanDerWaalsContact O-CD 3.27Å; P815-P817 WeakPolarHBondContact O-CD 2.79Å |
| 816 | Q | 96 | Very high | 91.4 | Very high | 76 Ų | 76 | 66.8 Ų | 66.8 | 36% | 0.355 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 120.3 | 174.8 | -176 | 165.5 | -8.3 | 0 | 0 | 110.8 | C820 D822 Y825 | Q816-C820 HydrophobicContact CG-CB 4.5Å; Q816-C820 PolarHBondContact NE2-O 3.02Å; Q816-D822 PolarHBondContact NE2-OD1 3.46Å; Q816-D822 VanDerWaalsContact NE2-OD1 3.12Å; Q816-Y825 HydrophobicContact CB-CD1 3.74Å; Q816-Y825 HydrophobicContact CB-CD2 3.83Å; Q816-Y825 HydrophobicContact CB-CE1 3.83Å; Q816-Y825 HydrophobicContact CB-CE2 3.93Å; Q816-Y825 HydrophobicContact CB-CG 3.74Å; Q816-Y825 HydrophobicContact CG-CD1 3.91Å; Q816-Y825 HydrophobicContact CG-CD2 4.09Å; Q816-Y825 HydrophobicContact CG-CG 3.68Å; Q816-Y825 VanDerWaalsContact OE1-CD1 3.26Å |
| 817 | P | 93.3 | Very high | 92.1 | Very high | 9 Ų | 9 | 60.6 Ų | 60.6 | 6% | 0.058 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 144.8 | 176.4 | -22.5 | 33.9 | 0 | 0 | 0 | 111.7 | W778 F781 T782 P815 I819 C820 | W778-P817 HydrophobicContact CG-CG 4.31Å; F781-P817 HydrophobicContact CB-CB 3.9Å; F781-P817 HydrophobicContact CB-CG 3.9Å; F781-P817 WeakPolarHBondContact O-CB 3.38Å; T782-P817 HydrophobicContact CG2-CB 3.85Å; T782-P817 HydrophobicContact CG2-CG 3.8Å; P815-P817 VanDerWaalsContact O-CD 3.27Å; P815-P817 WeakPolarHBondContact O-CD 2.79Å; P817-I819 PolarHBondContact O-N 2.9Å; P817-C820 HydrophobicContact CB-CB 3.89Å; P817-C820 HydrophobicContact CG-CB 4.06Å; P817-C820 VanDerWaalsContact O-CB 3.29Å; P817-C820 WeakPolarHBondContact O-CB 3.38Å; P817-C820 PolarHBondContact O-N 2.82Å |
| 818 | A | 87.4 | Confident | 92.6 | Very high | 113 Ų | 113 | 56.4 Ų | 56.4 | 93% | 0.934 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -23.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 819 | I | 85.8 | Confident | 93.1 | Very high | 58 Ų | 58 | 54 Ų | 54 | 30% | 0.297 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 6.5 | 176.6 | 61.8 | 140.9 | 0 | 0 | 0 | 113.8 | P671 L687 F781 F783 P817 P821 | P671-I819 HydrophobicContact CB-CG2 4.32Å; L687-I819 HydrophobicContact CD1-CD1 3.26Å; F781-I819 HydrophobicContact CD1-CD1 3.9Å; F781-I819 HydrophobicContact CD1-CG1 4.34Å; F781-I819 WeakPolarHBondContact O-CG1 3.44Å; F783-I819 HydrophobicContact CD2-CD1 4.29Å; F783-I819 HydrophobicContact CE2-CD1 3.56Å; F783-I819 HydrophobicContact CE2-CG1 4.38Å; F783-I819 HydrophobicContact CZ-CD1 4.38Å; P817-I819 PolarHBondContact O-N 2.9Å; I819-P821 WeakPolarHBondContact O-CD 3.46Å |
| 820 | C | 89.9 | Confident | 93.7 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | trans | -93.4 | 115.9 | -177.1 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | F781 Q816 P817 M828 | F781-C820 HydrophobicContact CB-CB 4.07Å; F781-C820 HydrophobicContact CD1-CB 4.43Å; F781-C820 HydrophobicContact CG-CB 4.17Å; Q816-C820 HydrophobicContact CG-CB 4.5Å; Q816-C820 PolarHBondContact NE2-O 3.02Å; P817-C820 HydrophobicContact CB-CB 3.89Å; P817-C820 HydrophobicContact CG-CB 4.06Å; P817-C820 VanDerWaalsContact O-CB 3.29Å; P817-C820 WeakPolarHBondContact O-CB 3.38Å; P817-C820 PolarHBondContact O-N 2.82Å; C820-M828 VanDerWaalsContact SG-CE 3.6Å | ||
| 821 | P | 91.6 | Very high | 94.1 | Very high | 47 Ų | 47 | 44.2 Ų | 44.2 | 31% | 0.305 | 25% | 0.249 | S | C | . | . | trans | -62.5 | 150.4 | 175.4 | -23.9 | 36.1 | 0 | 0 | 0 | 112.4 | Y684 I819 S823 V824 Y825 | Y684-P821 HydrophobicContact CD2-CG 4.38Å; Y684-P821 VanDerWaalsContact CE2-CD 3.41Å; Y684-P821 HydrophobicContact CE2-CG 3.62Å; I819-P821 WeakPolarHBondContact O-CD 3.46Å; P821-S823 PolarHBondContact O-N 2.89Å; P821-S823 VanDerWaalsContact O-N 3.09Å; P821-V824 HydrophobicContact CB-CG2 4.49Å; P821-V824 PolarHBondContact O-N 2.73Å; P821-Y825 PolarHBondContact O-N 2.74Å | ||
| 822 | D | 92.4 | Very high | 94.4 | Very high | 86 Ų | 86 | 42.7 Ų | 42.7 | 46% | 0.46 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -46.2 | -38.6 | 175 | -102.2 | 44.9 | 0 | 0 | 0 | 114.3 | Q816 V824 K826 | Q816-D822 PolarHBondContact NE2-OD1 3.46Å; Q816-D822 VanDerWaalsContact NE2-OD1 3.12Å; D822-V824 VanDerWaalsContact C-N 3.32Å; D822-V824 PolarHBondContact O-N 3.07Å; D822-K826 VanDerWaalsContact O-CB 3.27Å; D822-K826 WeakPolarHBondContact O-CB 3.37Å; D822-K826 WeakPolarHBondContact O-CD 3.43Å; D822-K826 WeakPolarHBondContact O-CG 3.48Å; D822-K826 PolarHBondContact O-N 2.89Å; D822-K826 WeakPolarHBondContact OD2-CE 3.5Å; D822-K826 IonicContact OD2-NZ 2.69Å; D822-K826 PolarHBondContact OD2-NZ 3.19Å |
| 823 | S | 91.1 | Very high | 94.6 | Very high | 48 Ų | 48 | 45.9 Ų | 45.9 | 34% | 0.336 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.8 | -30.9 | -179.8 | 61.2 | 0 | 0 | 0 | 0 | 113 | P821 L827 Q852 | P821-S823 PolarHBondContact O-N 2.89Å; P821-S823 VanDerWaalsContact O-N 3.09Å; S823-L827 PolarHBondContact O-N 2.95Å; S823-Q852 PolarHBondContact OG-OE1 2.99Å |
| 824 | V | 93.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -85.7 | -37.4 | 177.9 | -174.3 | 0 | 0 | 0 | 0 | 110.3 | L777 F781 P821 D822 L827 M828 | L777-V824 HydrophobicContact CD2-CG1 3.95Å; L777-V824 HydrophobicContact CG-CG1 4.3Å; F781-V824 HydrophobicContact CD2-CG1 4.16Å; F781-V824 HydrophobicContact CE2-CG1 3.64Å; F781-V824 HydrophobicContact CZ-CG1 4.25Å; P821-V824 HydrophobicContact CB-CG2 4.49Å; P821-V824 PolarHBondContact O-N 2.73Å; D822-V824 VanDerWaalsContact C-N 3.32Å; D822-V824 PolarHBondContact O-N 3.07Å; V824-L827 WeakPolarHBondContact O-CA 3.27Å; V824-L827 VanDerWaalsContact O-CB 3.29Å; V824-L827 WeakPolarHBondContact O-CB 3.29Å; V824-L827 PolarHBondContact O-N 3.39Å; V824-L827 VanDerWaalsContact O-N 3.12Å; V824-M828 HydrophobicContact CG1-CE 4.35Å; V824-M828 PolarHBondContact O-N 2.96Å |
| 825 | Y | 96.9 | Very high | 94.1 | Very high | 39 Ų | 39 | 49.6 Ų | 49.6 | 15% | 0.153 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.9 | -36.4 | 173.5 | -174.7 | -119.6 | 0 | 0 | 0 | 112.4 | L814 Q816 P821 L827 M828 L829 W832 | L814-Y825 WeakPolarHBondContact O-CE2 3.5Å; L814-Y825 PolarHBondContact O-OH 3.2Å; L814-Y825 VanDerWaalsContact O-OH 3.05Å; Q816-Y825 HydrophobicContact CB-CD1 3.74Å; Q816-Y825 HydrophobicContact CB-CD2 3.83Å; Q816-Y825 HydrophobicContact CB-CE1 3.83Å; Q816-Y825 HydrophobicContact CB-CE2 3.93Å; Q816-Y825 HydrophobicContact CB-CG 3.74Å; Q816-Y825 HydrophobicContact CG-CD1 3.91Å; Q816-Y825 HydrophobicContact CG-CD2 4.09Å; Q816-Y825 HydrophobicContact CG-CG 3.68Å; Q816-Y825 VanDerWaalsContact OE1-CD1 3.26Å; P821-Y825 PolarHBondContact O-N 2.74Å; Y825-L827 PolarHBondContact O-N 3.37Å; Y825-M828 HydrophobicContact CD2-CB 4.44Å; Y825-M828 HydrophobicContact CD2-SD 3.8Å; Y825-M828 WeakPolarHBondContact O-CB 2.97Å; Y825-M828 PolarHBondContact O-N 3.22Å; Y825-L829 HydrophobicContact CD1-CD1 3.97Å; Y825-L829 HydrophobicContact CD1-CG 4.47Å; Y825-L829 HydrophobicContact CE1-CD1 3.67Å; Y825-L829 HydrophobicContact CE1-CD2 4.49Å; Y825-L829 HydrophobicContact CE1-CG 4.14Å; Y825-L829 HydrophobicContact CE2-CG 4.41Å; Y825-L829 WeakPolarHBondContact O-CG 3.39Å; Y825-L829 PolarHBondContact O-N 3.12Å; Y825-W832 HydrophobicContact CE2-CZ3 4.43Å |
| 826 | K | 96.5 | Very high | 93.9 | Very high | 123 Ų | 123 | 48.7 Ų | 48.7 | 54% | 0.535 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.9 | -31.1 | 169.8 | -73.4 | 159.1 | -162.2 | 160.6 | 0 | 112.3 | D822 S830 | D822-K826 VanDerWaalsContact O-CB 3.27Å; D822-K826 WeakPolarHBondContact O-CB 3.37Å; D822-K826 WeakPolarHBondContact O-CD 3.43Å; D822-K826 WeakPolarHBondContact O-CG 3.48Å; D822-K826 PolarHBondContact O-N 2.89Å; D822-K826 WeakPolarHBondContact OD2-CE 3.5Å; D822-K826 IonicContact OD2-NZ 2.69Å; D822-K826 PolarHBondContact OD2-NZ 3.19Å; K826-S830 PolarHBondContact O-N 2.94Å; K826-S830 VanDerWaalsContact O-N 3.12Å |
| 827 | L | 96.6 | Very high | 93.7 | Very high | 6 Ų | 6 | 53.6 Ų | 53.6 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.5 | -47.4 | 171.3 | -179.6 | 59.3 | 0 | 0 | 0 | 111.2 | L777 S823 V824 Y825 L829 S830 C831 P840 I845 L848 L849 | L777-L827 HydrophobicContact CD2-CD2 4.36Å; S823-L827 PolarHBondContact O-N 2.95Å; V824-L827 WeakPolarHBondContact O-CA 3.27Å; V824-L827 VanDerWaalsContact O-CB 3.29Å; V824-L827 WeakPolarHBondContact O-CB 3.29Å; V824-L827 PolarHBondContact O-N 3.39Å; V824-L827 VanDerWaalsContact O-N 3.12Å; Y825-L827 PolarHBondContact O-N 3.37Å; L827-L829 PolarHBondContact O-N 3.25Å; L827-S830 WeakPolarHBondContact O-CA 3.22Å; L827-S830 WeakPolarHBondContact O-CB 3.5Å; L827-S830 PolarHBondContact O-N 2.83Å; L827-S830 PolarHBondContact O-OG 2.9Å; L827-C831 PolarHBondContact O-N 3.06Å; L827-C831 VanDerWaalsContact O-N 3.09Å; L827-C831 PolarHBondContact O-SG 3.01Å; L827-P840 HydrophobicContact CD1-CG 4.3Å; L827-I845 HydrophobicContact CD1-CG1 4.25Å; L827-I845 HydrophobicContact CD2-CG2 4.38Å; L827-L848 HydrophobicContact CD1-CD1 3.84Å; L827-L848 HydrophobicContact CD2-CB 4.42Å; L827-L849 HydrophobicContact CD2-CD2 3.99Å; L827-L849 HydrophobicContact CD2-CG 4.04Å |
| 828 | M | 98 | Very high | 93.7 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -54 | -50.5 | 173.6 | -62.3 | 172.7 | -174.7 | 0 | 0 | 111.9 | L777 W778 F781 C820 V824 Y825 S830 C831 W832 | L777-M828 HydrophobicContact CB-CE 4.28Å; L777-M828 HydrophobicContact CB-CG 4.39Å; L777-M828 HydrophobicContact CD2-CE 4.28Å; L777-M828 HydrophobicContact CD2-CG 3.83Å; L777-M828 HydrophobicContact CG-CE 3.84Å; L777-M828 HydrophobicContact CG-CG 4.25Å; W778-M828 HydrophobicContact CB-CE 4.38Å; W778-M828 HydrophobicContact CB-SD 4.18Å; F781-M828 HydrophobicContact CB-CE 4.37Å; F781-M828 HydrophobicContact CD2-CE 3.83Å; F781-M828 HydrophobicContact CG-CE 4.48Å; C820-M828 VanDerWaalsContact SG-CE 3.6Å; V824-M828 HydrophobicContact CG1-CE 4.35Å; V824-M828 PolarHBondContact O-N 2.96Å; Y825-M828 HydrophobicContact CD2-CB 4.44Å; Y825-M828 HydrophobicContact CD2-SD 3.8Å; Y825-M828 WeakPolarHBondContact O-CB 2.97Å; Y825-M828 PolarHBondContact O-N 3.22Å; M828-S830 PolarHBondContact O-N 3.04Å; M828-C831 WeakPolarHBondContact O-CB 3.48Å; M828-C831 PolarHBondContact O-N 3.1Å; M828-W832 HydrophobicContact CB-CE3 4.28Å; M828-W832 HydrophobicContact CB-CH2 3.71Å; M828-W832 HydrophobicContact CB-CZ2 4.18Å; M828-W832 HydrophobicContact CB-CZ3 3.77Å; M828-W832 HydrophobicContact CG-CH2 4.34Å; M828-W832 PolarHBondContact O-N 3.17Å; M828-W832 VanDerWaalsContact O-N 3.13Å; M828-W832 HydrophobicContact SD-CH2 4.24Å |
| 829 | L | 97.6 | Very high | 94.2 | Very high | 58 Ų | 58 | 52.7 Ų | 52.7 | 30% | 0.304 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.7 | -28.5 | 176.7 | -69.2 | 173.1 | 0 | 0 | 0 | 113.1 | Y813 Y825 L827 W832 | Y813-L829 HydrophobicContact CD1-CD2 3.98Å; Y813-L829 HydrophobicContact CG-CD2 4.14Å; Y825-L829 HydrophobicContact CD1-CD1 3.97Å; Y825-L829 HydrophobicContact CD1-CG 4.47Å; Y825-L829 HydrophobicContact CE1-CD1 3.67Å; Y825-L829 HydrophobicContact CE1-CD2 4.49Å; Y825-L829 HydrophobicContact CE1-CG 4.14Å; Y825-L829 HydrophobicContact CE2-CG 4.41Å; Y825-L829 WeakPolarHBondContact O-CG 3.39Å; Y825-L829 PolarHBondContact O-N 3.12Å; L827-L829 PolarHBondContact O-N 3.25Å; L829-W832 HydrophobicContact CD2-CE3 4.2Å; L829-W832 HydrophobicContact CD2-CZ3 4.46Å |
| 830 | S | 97.8 | Very high | 94.8 | Very high | 20 Ų | 20 | 50.8 Ų | 50.8 | 14% | 0.14 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -74.4 | -31.8 | 174.4 | 80.5 | 0 | 0 | 0 | 0 | 112.8 | K826 L827 M828 R833 P840 | K826-S830 PolarHBondContact O-N 2.94Å; K826-S830 VanDerWaalsContact O-N 3.12Å; L827-S830 WeakPolarHBondContact O-CA 3.22Å; L827-S830 WeakPolarHBondContact O-CB 3.5Å; L827-S830 PolarHBondContact O-N 2.83Å; L827-S830 PolarHBondContact O-OG 2.9Å; M828-S830 PolarHBondContact O-N 3.04Å; S830-R833 WeakPolarHBondContact O-CD 3.47Å; S830-R833 WeakPolarHBondContact O-CG 3.39Å; S830-P840 WeakPolarHBondContact O-CD 3.44Å; S830-P840 WeakPolarHBondContact OG-CG 3.35Å |
| 831 | C | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.4 | -35.3 | 171.4 | -62.8 | 0 | 0 | 0 | 0 | 111.9 | V770 L827 M828 R833 R839 | V770-C831 HydrophobicContact CG1-CB 3.95Å; V770-C831 WeakPolarHBondContact O-CB 3.29Å; L827-C831 PolarHBondContact O-N 3.06Å; L827-C831 VanDerWaalsContact O-N 3.09Å; L827-C831 PolarHBondContact O-SG 3.01Å; M828-C831 WeakPolarHBondContact O-CB 3.48Å; M828-C831 PolarHBondContact O-N 3.1Å; C831-R833 VanDerWaalsContact C-N 3.26Å; C831-R833 PolarHBondContact O-N 3.18Å; C831-R839 WeakPolarHBondContact O-CD 3.46Å; C831-R839 WeakPolarHBondContact O-CG 3.16Å |
| 832 | W | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 24.2 | 179 | -52 | -41.2 | 0 | 0 | 0 | 114.6 | W771 G774 V775 W778 Y813 L814 Y825 M828 L829 | W771-W832 HydrophobicContact CD2-CB 4.49Å; W771-W832 AromaticContact CD2-CD1 3.71Å; W771-W832 HydrophobicContact CD2-CG 4.48Å; W771-W832 AromaticContact CE2-CD1 3.83Å; W771-W832 HydrophobicContact CE3-CB 4.23Å; W771-W832 AromaticContact CG-CD1 3.83Å; W771-W832 HydrophobicContact CH2-CB 4.34Å; W771-W832 HydrophobicContact CZ3-CB 4.14Å; W771-W832 WeakPolarHBondContact CZ3-O 3.47Å; W771-W832 AromaticContact NE1-CD1 3.98Å; W771-W832 PolarHBondContact O-NE1 3.47Å; G774-W832 VanDerWaalsContact C-CZ2 3.42Å; G774-W832 VanDerWaalsContact O-CZ2 3.26Å; G774-W832 WeakPolarHBondContact O-CZ2 3.35Å; V775-W832 HydrophobicContact CG2-CZ2 4.2Å; W778-W832 HydrophobicContact CB-CH2 4.29Å; W778-W832 HydrophobicContact CB-CZ2 4.38Å; Y813-W832 HydrophobicContact CD1-CB 4.06Å; Y813-W832 HydrophobicContact CD1-CE3 4.06Å; Y813-W832 HydrophobicContact CE1-CB 4.01Å; L814-W832 HydrophobicContact CB-CH2 3.76Å; L814-W832 HydrophobicContact CB-CZ2 4.44Å; L814-W832 HydrophobicContact CB-CZ3 4.17Å; L814-W832 HydrophobicContact CD1-CH2 3.93Å; L814-W832 HydrophobicContact CD1-CZ2 3.78Å; L814-W832 HydrophobicContact CG-CH2 4.27Å; L814-W832 HydrophobicContact CG-CZ2 4.48Å; Y825-W832 HydrophobicContact CE2-CZ3 4.43Å; M828-W832 HydrophobicContact CB-CE3 4.28Å; M828-W832 HydrophobicContact CB-CH2 3.71Å; M828-W832 HydrophobicContact CB-CZ2 4.18Å; M828-W832 HydrophobicContact CB-CZ3 3.77Å; M828-W832 HydrophobicContact CG-CH2 4.34Å; M828-W832 PolarHBondContact O-N 3.17Å; M828-W832 VanDerWaalsContact O-N 3.13Å; M828-W832 HydrophobicContact SD-CH2 4.24Å; L829-W832 HydrophobicContact CD2-CE3 4.2Å; L829-W832 HydrophobicContact CD2-CZ3 4.46Å |
| 833 | R | 96.8 | Very high | 95.6 | Very high | 127 Ų | 127 | 50.4 Ų | 50.4 | 48% | 0.479 | 25% | 0.245 | S | C | . | . | trans | -69.3 | 138.2 | 173.4 | -77.1 | 171.4 | 168.2 | -171.3 | -3.8 | 111 | S830 C831 N838 R839 | S830-R833 WeakPolarHBondContact O-CD 3.47Å; S830-R833 WeakPolarHBondContact O-CG 3.39Å; C831-R833 VanDerWaalsContact C-N 3.26Å; C831-R833 PolarHBondContact O-N 3.18Å; R833-N838 HydrophobicContact CB-CB 4.47Å; R833-N838 WeakPolarHBondContact CD-O 3.25Å; R833-N838 PolarHBondContact NH1-O 3.32Å; R833-R839 HydrophobicContact CB-CG 4.08Å; R833-R839 PolarHBondContact O-NE 3.33Å; R833-R839 PolarHBondContact O-NH2 3.21Å | ||
| 834 | R | 92.3 | Very high | 95.8 | Very high | 85 Ų | 85 | 53 Ų | 53 | 32% | 0.321 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -56.9 | -59.5 | -177.6 | -176.9 | -178.2 | 175.7 | -106.6 | -8.8 | 112.4 | W756 F804 F805 D807 T836 R839 | W756-R834 HydrophobicContact CZ2-CG 4.38Å; W756-R834 PolarHBondContact NE1-O 3.44Å; F804-R834 WeakPolarHBondContact O-CD 3.34Å; F804-R834 WeakPolarHBondContact O-CG 3.36Å; F804-R834 PolarHBondContact O-NE 2.95Å; F805-R834 PolarHBondContact O-NE 3.47Å; F805-R834 PolarHBondContact O-NH2 2.86Å; D807-R834 WeakPolarHBondContact OD2-CD 3.3Å; D807-R834 IonicContact OD2-CZ 3.03Å; D807-R834 IonicContact OD2-NE 3.79Å; D807-R834 PolarHBondContact OD2-NE 3.26Å; D807-R834 IonicContact OD2-NH1 2.83Å; D807-R834 PolarHBondContact OD2-NH1 3.29Å; R834-T836 PolarHBondContact O-N 3.24Å; R834-R839 PolarHBondContact O-NH2 3.05Å; R834-R839 VanDerWaalsContact O-NH2 3.16Å |
| 835 | D | 90.9 | Very high | 96 | Very high | 70 Ų | 70 | 53 Ų | 53 | 37% | 0.374 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -71.3 | 124 | 174.6 | 178.5 | 1.6 | 0 | 0 | 0 | 110.6 | K837 N838 | D835-K837 PolarHBondContact O-N 3.47Å; D835-K837 WeakPolarHBondContact OD1-CB 3.46Å; D835-K837 PolarHBondContact OD1-N 3.44Å; D835-N838 WeakPolarHBondContact CB-ND2 3.2Å; D835-N838 PolarHBondContact O-N 3Å; D835-N838 VanDerWaalsContact O-N 3.09Å; D835-N838 PolarHBondContact OD2-ND2 3.06Å; D835-N838 VanDerWaalsContact OD2-ND2 3.14Å |
| 836 | T | 92.1 | Very high | 96 | Very high | 52 Ų | 52 | 52.4 Ų | 52.4 | 32% | 0.319 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -59.1 | -30.1 | -179.4 | 56.4 | 0 | 0 | 0 | 0 | 112.9 | E757 A767 R834 N838 R839 | E757-T836 HydrophobicContact CG-CG2 4.21Å; E757-T836 WeakPolarHBondContact OE1-CG2 3.45Å; A767-T836 HydrophobicContact CB-CG2 4.17Å; R834-T836 PolarHBondContact O-N 3.24Å; T836-N838 VanDerWaalsContact C-N 3.26Å; T836-N838 PolarHBondContact O-N 3.46Å; T836-R839 PolarHBondContact O-N 3.24Å |
| 837 | K | 91.3 | Very high | 95.9 | Very high | 178 Ų | 178 | 49.7 Ų | 49.7 | 77% | 0.774 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -71 | -20.4 | 178.6 | -63.1 | 176.8 | -177.5 | 174.5 | 0 | 113.7 | D835 | D835-K837 PolarHBondContact O-N 3.47Å; D835-K837 WeakPolarHBondContact OD1-CB 3.46Å; D835-K837 PolarHBondContact OD1-N 3.44Å |
| 838 | N | 93.9 | Very high | 95.7 | Very high | 87 Ų | 87 | 52.6 Ų | 52.6 | 47% | 0.465 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -95.1 | -4.1 | -177.9 | -66 | -44.5 | 0 | 0 | 0 | 112.5 | R833 D835 T836 | R833-N838 HydrophobicContact CB-CB 4.47Å; R833-N838 WeakPolarHBondContact CD-O 3.25Å; R833-N838 PolarHBondContact NH1-O 3.32Å; D835-N838 WeakPolarHBondContact CB-ND2 3.2Å; D835-N838 PolarHBondContact O-N 3Å; D835-N838 VanDerWaalsContact O-N 3.09Å; D835-N838 PolarHBondContact OD2-ND2 3.06Å; D835-N838 VanDerWaalsContact OD2-ND2 3.14Å; T836-N838 VanDerWaalsContact C-N 3.26Å; T836-N838 PolarHBondContact O-N 3.46Å |
| 839 | R | 97.6 | Very high | 95.4 | Very high | 16 Ų | 16 | 52.6 Ų | 52.6 | 6% | 0.06 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -76.9 | 143.5 | 172 | -58.3 | 177.9 | -168.6 | 159.5 | 11.5 | 109.6 | E757 A767 V770 C831 R833 R834 T836 | E757-R839 IonicContact OE1-CZ 2.82Å; E757-R839 IonicContact OE1-NH1 3.44Å; E757-R839 PolarHBondContact OE1-NH1 2.9Å; E757-R839 IonicContact OE1-NH2 2.67Å; E757-R839 PolarHBondContact OE1-NH2 2.81Å; E757-R839 IonicContact OE2-CZ 3.14Å; E757-R839 IonicContact OE2-NH1 3.55Å; E757-R839 IonicContact OE2-NH2 2.73Å; E757-R839 PolarHBondContact OE2-NH2 3.1Å; A767-R839 VanDerWaalsContact O-CD 3.31Å; A767-R839 WeakPolarHBondContact O-CD 3.5Å; A767-R839 PolarHBondContact O-NH1 3.43Å; V770-R839 HydrophobicContact CG1-CB 3.95Å; C831-R839 WeakPolarHBondContact O-CD 3.46Å; C831-R839 WeakPolarHBondContact O-CG 3.16Å; R833-R839 HydrophobicContact CB-CG 4.08Å; R833-R839 PolarHBondContact O-NE 3.33Å; R833-R839 PolarHBondContact O-NH2 3.21Å; R834-R839 PolarHBondContact O-NH2 3.05Å; R834-R839 VanDerWaalsContact O-NH2 3.16Å; T836-R839 PolarHBondContact O-N 3.24Å |
| 840 | P | 97.4 | Very high | 95 | Very high | 18 Ų | 18 | 54.7 Ų | 54.7 | 12% | 0.117 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 149.3 | 177.6 | 30.9 | -36.6 | 0 | 0 | 0 | 111.5 | V770 L827 S830 E844 I845 | V770-P840 HydrophobicContact CG1-CG 4.48Å; V770-P840 WeakPolarHBondContact CG1-O 3.48Å; V770-P840 WeakPolarHBondContact CG2-O 3.34Å; L827-P840 HydrophobicContact CD1-CG 4.3Å; S830-P840 WeakPolarHBondContact O-CD 3.44Å; S830-P840 WeakPolarHBondContact OG-CG 3.35Å; P840-E844 HydrophobicContact CB-CB 4.28Å; P840-I845 HydrophobicContact CB-CG1 4Å; P840-I845 HydrophobicContact CG-CD1 4.08Å; P840-I845 HydrophobicContact CG-CG1 3.73Å |
| 841 | S | 97.4 | Very high | 94 | Very high | 50 Ų | 50 | 60.3 Ų | 60.3 | 35% | 0.35 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 156.3 | 169 | 68.1 | 0 | 0 | 0 | 0 | 111.5 | Q843 E844 I845 | S841-Q843 PolarHBondContact O-N 3.43Å; S841-Q843 VanDerWaalsContact O-N 3.15Å; S841-E844 VanDerWaalsContact CB-OE2 3.24Å; S841-E844 WeakPolarHBondContact CB-OE2 3.4Å; S841-E844 PolarHBondContact N-OE2 3.37Å; S841-E844 WeakPolarHBondContact O-CA 3.34Å; S841-E844 WeakPolarHBondContact O-CB 3.29Å; S841-E844 PolarHBondContact O-N 2.64Å; S841-E844 WeakPolarHBondContact OG-CG 3.43Å; S841-E844 PolarHBondContact OG-N 3.4Å; S841-E844 PolarHBondContact OG-OE2 3.33Å; S841-I845 WeakPolarHBondContact O-CG1 3.43Å; S841-I845 PolarHBondContact O-N 2.89Å |
| 842 | F | 97.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 63 Ų | 63 | 0% | 0.004 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.7 | -27.5 | 175.1 | -76.7 | -67.7 | 0 | 0 | 0 | 113.9 | M698 K699 T766 D769 V770 F773 I845 H846 | M698-F842 HydrophobicContact CB-CD1 3.46Å; M698-F842 VanDerWaalsContact CB-CD1 3.46Å; M698-F842 HydrophobicContact CB-CD2 3.98Å; M698-F842 HydrophobicContact CB-CE1 3.36Å; M698-F842 HydrophobicContact CB-CE2 3.88Å; M698-F842 HydrophobicContact CB-CG 3.78Å; M698-F842 HydrophobicContact CB-CZ 3.58Å; M698-F842 HydrophobicContact CE-CE2 3.84Å; M698-F842 HydrophobicContact CE-CZ 3.79Å; M698-F842 HydrophobicContact CG-CD1 4.43Å; M698-F842 HydrophobicContact CG-CE1 3.89Å; M698-F842 HydrophobicContact CG-CZ 3.97Å; K699-F842 HydrophobicContact CB-CB 3.82Å; T766-F842 HydrophobicContact CG2-CD2 3.9Å; T766-F842 HydrophobicContact CG2-CE2 4.01Å; D769-F842 HydrophobicContact CB-CE2 3.98Å; D769-F842 HydrophobicContact CB-CZ 4.06Å; V770-F842 HydrophobicContact CB-CZ 4.36Å; V770-F842 HydrophobicContact CG2-CD1 4.42Å; V770-F842 HydrophobicContact CG2-CD2 3.84Å; V770-F842 HydrophobicContact CG2-CE1 4.16Å; V770-F842 HydrophobicContact CG2-CE2 3.54Å; V770-F842 HydrophobicContact CG2-CG 4.27Å; V770-F842 HydrophobicContact CG2-CZ 3.72Å; F773-F842 HydrophobicContact CB-CE1 3.65Å; F773-F842 HydrophobicContact CB-CZ 4.05Å; F773-F842 HydrophobicContact CD1-CE1 4.44Å; F773-F842 HydrophobicContact CD2-CE1 4.04Å; F773-F842 AromaticContact CG-CE1 3.77Å; F773-F842 HydrophobicContact CG-CE1 3.77Å; F842-I845 HydrophobicContact CD1-CD1 3.89Å; F842-I845 HydrophobicContact CE1-CD1 4.19Å; F842-H846 WeakPolarHBondContact O-CB 3.44Å; F842-H846 PolarHBondContact O-N 3.29Å |
| 843 | Q | 96.1 | Very high | 89.8 | Confident | 80 Ų | 80 | 65.4 Ų | 65.4 | 37% | 0.374 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.3 | -36.4 | 172.4 | 173.3 | 57.6 | 47.3 | 0 | 0 | 112.2 | S841 L847 | S841-Q843 PolarHBondContact O-N 3.43Å; S841-Q843 VanDerWaalsContact O-N 3.15Å; Q843-L847 VanDerWaalsContact NE2-CD1 3.27Å; Q843-L847 WeakPolarHBondContact O-CB 3.24Å; Q843-L847 VanDerWaalsContact O-CG 3.28Å; Q843-L847 WeakPolarHBondContact O-CG 3.34Å; Q843-L847 PolarHBondContact O-N 3.28Å |
| 844 | E | 96 | Very high | 87.2 | Confident | 103 Ų | 103 | 67.3 Ų | 67.3 | 48% | 0.481 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -75 | -43.4 | 174.4 | -69 | 158.8 | 117.3 | 0 | 0 | 111.6 | P840 S841 H846 L847 L848 | P840-E844 HydrophobicContact CB-CB 4.28Å; S841-E844 VanDerWaalsContact CB-OE2 3.24Å; S841-E844 WeakPolarHBondContact CB-OE2 3.4Å; S841-E844 PolarHBondContact N-OE2 3.37Å; S841-E844 WeakPolarHBondContact O-CA 3.34Å; S841-E844 WeakPolarHBondContact O-CB 3.29Å; S841-E844 PolarHBondContact O-N 2.64Å; S841-E844 WeakPolarHBondContact OG-CG 3.43Å; S841-E844 PolarHBondContact OG-N 3.4Å; S841-E844 PolarHBondContact OG-OE2 3.33Å; E844-H846 VanDerWaalsContact C-N 3.35Å; E844-H846 PolarHBondContact O-N 3.02Å; E844-L847 PolarHBondContact O-N 3.18Å; E844-L848 WeakPolarHBondContact O-CB 3.34Å; E844-L848 VanDerWaalsContact O-CG 3.32Å; E844-L848 WeakPolarHBondContact O-CG 3.49Å; E844-L848 PolarHBondContact O-N 3.37Å |
| 845 | I | 97.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -54.4 | -51.1 | 174.5 | -65 | 171.2 | 0 | 0 | 0 | 110.4 | A695 V770 F773 L827 P840 S841 F842 L847 L848 L849 | A695-I845 HydrophobicContact CB-CG2 3.86Å; V770-I845 HydrophobicContact CG1-CD1 4Å; V770-I845 HydrophobicContact CG2-CD1 4.06Å; F773-I845 HydrophobicContact CD1-CD1 4.14Å; F773-I845 HydrophobicContact CD1-CG2 3.96Å; F773-I845 HydrophobicContact CE1-CG2 3.31Å; F773-I845 HydrophobicContact CZ-CG2 3.74Å; L827-I845 HydrophobicContact CD1-CG1 4.25Å; L827-I845 HydrophobicContact CD2-CG2 4.38Å; P840-I845 HydrophobicContact CB-CG1 4Å; P840-I845 HydrophobicContact CG-CD1 4.08Å; P840-I845 HydrophobicContact CG-CG1 3.73Å; S841-I845 WeakPolarHBondContact O-CG1 3.43Å; S841-I845 PolarHBondContact O-N 2.89Å; F842-I845 HydrophobicContact CD1-CD1 3.89Å; F842-I845 HydrophobicContact CE1-CD1 4.19Å; I845-L847 PolarHBondContact O-N 2.54Å; I845-L848 PolarHBondContact O-N 3.4Å; I845-L849 HydrophobicContact CG2-CD1 4.09Å; I845-L849 WeakPolarHBondContact O-CG 3.37Å; I845-L849 PolarHBondContact O-N 3.19Å |
| 846 | H | 96.5 | Very high | 84 | Confident | 27 Ų | 27 | 76.8 Ų | 76.8 | 13% | 0.125 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 178.8 | 178.6 | -95.6 | 0 | 0 | 0 | 112.4 | T692 A695 F842 E844 L850 | T692-H846 PolarHBondContact O-CD2 2.69Å; A695-H846 HydrophobicContact CB-CB 4.08Å; F842-H846 WeakPolarHBondContact O-CB 3.44Å; F842-H846 PolarHBondContact O-N 3.29Å; E844-H846 VanDerWaalsContact C-N 3.35Å; E844-H846 PolarHBondContact O-N 3.02Å; H846-L850 WeakPolarHBondContact CE1-CD1 3.05Å; H846-L850 WeakPolarHBondContact O-CG 3.47Å; H846-L850 PolarHBondContact O-N 3Å |
| 847 | L | 93.9 | Very high | 83.6 | Confident | 66 Ų | 66 | 78.1 Ų | 78.1 | 35% | 0.346 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.9 | -42.3 | 175.1 | -77.8 | 172.9 | 0 | 0 | 0 | 112.6 | Q843 E844 I845 L850 Q851 | Q843-L847 VanDerWaalsContact NE2-CD1 3.27Å; Q843-L847 WeakPolarHBondContact O-CB 3.24Å; Q843-L847 VanDerWaalsContact O-CG 3.28Å; Q843-L847 WeakPolarHBondContact O-CG 3.34Å; Q843-L847 PolarHBondContact O-N 3.28Å; E844-L847 PolarHBondContact O-N 3.18Å; I845-L847 PolarHBondContact O-N 2.54Å; L847-L850 PolarHBondContact O-N 2.69Å; L847-Q851 VanDerWaalsContact O-CB 3.3Å; L847-Q851 WeakPolarHBondContact O-CB 3.09Å; L847-Q851 VanDerWaalsContact O-CG 3.25Å; L847-Q851 WeakPolarHBondContact O-CG 3.37Å; L847-Q851 PolarHBondContact O-N 3.47Å |
| 848 | L | 93.3 | Very high | 83.2 | Confident | 67 Ų | 67 | 72.6 Ų | 72.6 | 35% | 0.351 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 178.9 | -72 | 168.7 | 0 | 0 | 0 | 111.7 | L827 E844 I845 Q851 Q852 | L827-L848 HydrophobicContact CD1-CD1 3.84Å; L827-L848 HydrophobicContact CD2-CB 4.42Å; E844-L848 WeakPolarHBondContact O-CB 3.34Å; E844-L848 VanDerWaalsContact O-CG 3.32Å; E844-L848 WeakPolarHBondContact O-CG 3.49Å; E844-L848 PolarHBondContact O-N 3.37Å; I845-L848 PolarHBondContact O-N 3.4Å; L848-Q851 PolarHBondContact O-N 3.44Å; L848-Q852 WeakPolarHBondContact O-CG 3.14Å; L848-Q852 PolarHBondContact O-N 2.77Å |
| 849 | L | 92.1 | Very high | 82.6 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.9 | -40.8 | 174 | -68.6 | 172.3 | 0 | 0 | 0 | 111.7 | K688 A691 T692 A695 F773 L827 I845 | K688-L849 WeakPolarHBondContact CE-O 3.47Å; K688-L849 PolarHBondContact NZ-O 3.49Å; A691-L849 HydrophobicContact CB-CD1 4.42Å; T692-L849 HydrophobicContact CG2-CB 4.4Å; A695-L849 HydrophobicContact CB-CD1 4Å; F773-L849 HydrophobicContact CZ-CD1 4.02Å; L827-L849 HydrophobicContact CD2-CD2 3.99Å; L827-L849 HydrophobicContact CD2-CG 4.04Å; I845-L849 HydrophobicContact CG2-CD1 4.09Å; I845-L849 WeakPolarHBondContact O-CG 3.37Å; I845-L849 PolarHBondContact O-N 3.19Å |
| 850 | L | 88.4 | Confident | 81.6 | Confident | 101 Ų | 101 | 75.2 Ų | 75.2 | 53% | 0.529 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 173.3 | -76 | 176.2 | 0 | 0 | 0 | 113 | T692 H846 L847 | T692-L850 HydrophobicContact CG2-CD2 3.88Å; T692-L850 HydrophobicContact CG2-CG 4.03Å; H846-L850 WeakPolarHBondContact CE1-CD1 3.05Å; H846-L850 WeakPolarHBondContact O-CG 3.47Å; H846-L850 PolarHBondContact O-N 3Å; L847-L850 PolarHBondContact O-N 2.69Å |
| 851 | Q | 77.4 | Confident | 80.6 | Confident | 138 Ų | 138 | 79 Ų | 79 | 65% | 0.645 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -77.3 | -22.3 | -168.6 | -75 | 175.6 | -5.2 | 0 | 0 | 115.1 | L847 L848 G853 | L847-Q851 VanDerWaalsContact O-CB 3.3Å; L847-Q851 WeakPolarHBondContact O-CB 3.09Å; L847-Q851 VanDerWaalsContact O-CG 3.25Å; L847-Q851 WeakPolarHBondContact O-CG 3.37Å; L847-Q851 PolarHBondContact O-N 3.47Å; L848-Q851 PolarHBondContact O-N 3.44Å; Q851-G853 PolarHBondContact O-N 3.43Å |
| 852 | Q | 62.4 | Low | 79.4 | Confident | 56 Ų | 56 | 81.1 Ų | 81.1 | 26% | 0.262 | 42% | 0.417 | S | S | . | . | trans | -78.1 | 58.1 | 178.6 | -68.4 | 176.1 | 21 | 0 | 0 | 112.2 | K688 S823 L848 | K688-Q852 WeakPolarHBondContact CE-O 3.49Å; K688-Q852 VanDerWaalsContact NZ-C 3.34Å; K688-Q852 PolarHBondContact NZ-O 3.38Å; S823-Q852 PolarHBondContact OG-OE1 2.99Å; L848-Q852 WeakPolarHBondContact O-CG 3.14Å; L848-Q852 PolarHBondContact O-N 2.77Å | ||
| 853 | G | 44.1 | Very low | 78 | Confident | 51 Ų | 51 | 87.2 Ų | 87.2 | 53% | 0.526 | 45% | 0.448 | S | S | . | . | trans | -97.8 | 129.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q851 | Q851-G853 PolarHBondContact O-N 3.43Š| ||
| 854 | D | 42.3 | Very low | 76.4 | Confident | 167 Ų | 167 | 87.8 Ų | 87.8 | 89% | 0.893 | 46% | 0.455 | S | S | * | . | trans | 52.6 | 80.4 | 166.7 | -53.4 | -10.3 | 0 | 0 | 0 | 117.5 | ||||
| 855 | E | 33.6 | Very low | 74.7 | Confident | 278 Ų | 278 | 86.5 Ų | 86.5 | 100% | 1.299 | 45% | 0.452 | S | S | * | . | trans | -114.5 | 0 | 139 | -79.1 | -165 | 144.1 | 0 | 0 | 109.1 |
Retrieved 855 of 855 residues in 169 ms
(Link to these results)