| 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 | 29.4 | Very low | 30.1 | Very low | 229 Ų | 229 | 157.8 Ų | 157.8 | 100% | 1.128 | 83% | 0.832 | S | S | * | * | 0 | 151.7 | 0 | -81 | 179 | 153.5 | 0 | 0 | 108.4 | |||||
| 2 | P | 46.5 | Very low | 30.2 | Very low | 106 Ų | 106 | 159.8 Ų | 159.8 | 69% | 0.688 | 83% | 0.833 | S | S | * | * | cis | -107.2 | 150.4 | -4.7 | 1.8 | 23.2 | 0 | 0 | 0 | 112.8 | ||||
| 3 | Q | 27.7 | Very low | 30.2 | Very low | 154 Ų | 154 | 163.9 Ų | 163.9 | 72% | 0.72 | 83% | 0.831 | S | S | * | * | 70.4 | 146.4 | 86.4 | -62.2 | -178.1 | -88.2 | 0 | 0 | 115.1 | |||||
| 4 | D | 27.2 | Very low | 30.2 | Very low | 117 Ų | 117 | 162.6 Ų | 162.6 | 63% | 0.626 | 82% | 0.82 | S | S | * | * | cis | -157.6 | 135.7 | -14.5 | -101.3 | -41.5 | 0 | 0 | 0 | 105.9 | ||||
| 5 | R | 28.8 | Very low | 30.2 | Very low | 243 Ų | 243 | 161.6 Ų | 161.6 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | 61.7 | 122 | 78.7 | -91.1 | -170.6 | 174.3 | -169.7 | 0.6 | 118 | |||||
| 6 | G | 24.9 | Very low | 30.2 | Very low | 71 Ų | 71 | 161.4 Ų | 161.4 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | 117.4 | 136.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 7 | T | 26.7 | Very low | 30.1 | Very low | 145 Ų | 145 | 164.1 Ų | 164.1 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | cis | -152 | 122.2 | -2 | 41.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 8 | C | 27.8 | Very low | 30.1 | Very low | 143 Ų | 143 | 160.3 Ų | 160.3 | 97% | 0.966 | 80% | 0.798 | S | S | * | * | trans | -140.8 | 87.2 | 163.5 | -166.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 9 | G | 32.3 | Very low | 30.1 | Very low | 76 Ų | 76 | 159.3 Ų | 159.3 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | trans | -177.9 | 46 | -167.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 10 | R | 29.2 | Very low | 30 | Very low | 217 Ų | 217 | 156.9 Ų | 156.9 | 82% | 0.819 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -144.4 | -20.1 | 175.6 | -132.3 | 173.7 | -177 | 178.5 | 0.1 | 117 | ||
| 11 | R | 30.2 | Very low | 30 | Very low | 235 Ų | 235 | 156.8 Ų | 156.8 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -77.5 | -28.7 | 178.4 | -87.7 | -174.3 | 171.2 | -176.3 | -2.8 | 115.1 | ||
| 12 | Q | 31.6 | Very low | 30 | Very low | 181 Ų | 181 | 151.3 Ų | 151.3 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | H | α-helix | trans | -76.1 | -22.7 | -178.3 | -115.7 | 167.8 | -16.5 | 0 | 0 | 114.4 | ||
| 13 | R | 30.5 | Very low | 29.3 | Very low | 214 Ų | 214 | 152.7 Ų | 152.7 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | H | α-helix | trans | -81.9 | -17.6 | 179.2 | -86.8 | -174 | 171.3 | -173.6 | -3.3 | 114.6 | ||
| 14 | Q | 30.3 | Very low | 29.5 | Very low | 145 Ų | 145 | 152.9 Ų | 152.9 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | H | α-helix | trans | -84.2 | -30.8 | -179.9 | -82 | 179.6 | -50.3 | 0 | 0 | 113.6 | F16 W17 | Q14-F16 VanDerWaalsContact C-N 3.27Å; Q14-F16 PolarHBondContact O-N 2.78Å; Q14-W17 PolarHBondContact O-N 3.13Å |
| 15 | M | 29.5 | Very low | 29.7 | Very low | 148 Ų | 148 | 155.4 Ų | 155.4 | 73% | 0.729 | 79% | 0.787 | S | S | * | * | H | α-helix | trans | -66.7 | -27.6 | 172 | -74.4 | -163.8 | 74.8 | 0 | 0 | 113.2 | W17 | M15-W17 VanDerWaalsContact C-N 3.34Å; M15-W17 PolarHBondContact O-N 3.26Å |
| 16 | F | 30.8 | Very low | 29.9 | Very low | 159 Ų | 159 | 149.2 Ų | 149.2 | 70% | 0.697 | 78% | 0.781 | S | S | * | * | H | α-helix | trans | -74.3 | -19.3 | 178.3 | -103.8 | -86.4 | 0 | 0 | 0 | 114.4 | Q14 | Q14-F16 VanDerWaalsContact C-N 3.27Å; Q14-F16 PolarHBondContact O-N 2.78Å |
| 17 | W | 29 | Very low | 30.3 | Very low | 207 Ų | 207 | 151.4 Ų | 151.4 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | H | α-helix | trans | -90.9 | -24.5 | 178.5 | -88.5 | 53.4 | 0 | 0 | 0 | 113.1 | Q14 M15 L19 L20 | Q14-W17 PolarHBondContact O-N 3.13Å; M15-W17 VanDerWaalsContact C-N 3.34Å; M15-W17 PolarHBondContact O-N 3.26Å; W17-L19 VanDerWaalsContact C-N 3.34Å; W17-L20 PolarHBondContact O-N 2.71Å |
| 18 | S | 28.9 | Very low | 30.6 | Very low | 96 Ų | 96 | 147.3 Ų | 147.3 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | H | α-helix | trans | -72.4 | -25.7 | 174.7 | -56.3 | 0 | 0 | 0 | 0 | 113.5 | ||
| 19 | L | 30.8 | Very low | 31.5 | Very low | 140 Ų | 140 | 142 Ų | 142 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -78.6 | -18.9 | 173.1 | -95.9 | 140.2 | 0 | 0 | 0 | 113.4 | W17 | W17-L19 VanDerWaalsContact C-N 3.34Š|
| 20 | L | 28.8 | Very low | 32.1 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 58% | 0.581 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -87.6 | -12.1 | -173.3 | -140.7 | 78.8 | 0 | 0 | 0 | 114 | W17 L23 | W17-L20 PolarHBondContact O-N 2.71Å; L20-L23 HydrophobicContact CD1-CD1 4.38Å; L20-L23 HydrophobicContact CG-CD1 4.46Å |
| 21 | L | 30 | Very low | 33.1 | Very low | 156 Ų | 156 | 128 Ų | 128 | 82% | 0.817 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -98.1 | 5.9 | -172.3 | -148.6 | 74.1 | 0 | 0 | 0 | 114.7 | ||
| 22 | C | 29.1 | Very low | 34.6 | Very low | 114 Ų | 114 | 117.1 Ų | 117.1 | 77% | 0.77 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -96.9 | 1.6 | 170.6 | -68.4 | 0 | 0 | 0 | 0 | 113.5 | L24 | C22-L24 PolarHBondContact O-N 2.95Å; C22-L24 VanDerWaalsContact O-N 3.1Å |
| 23 | L | 30.4 | Very low | 35.7 | Very low | 134 Ų | 134 | 108.5 Ų | 108.5 | 70% | 0.702 | 56% | 0.563 | S | S | * | * | trans | -82.1 | 31 | -175 | -78.3 | 165.6 | 0 | 0 | 0 | 114.8 | L20 | L20-L23 HydrophobicContact CD1-CD1 4.38Å; L20-L23 HydrophobicContact CG-CD1 4.46Å | ||
| 24 | L | 33.6 | Very low | 37.4 | Very low | 158 Ų | 158 | 98.4 Ų | 98.4 | 83% | 0.827 | 53% | 0.525 | S | S | * | . | trans | -135.1 | 61.5 | -178.8 | -72.3 | 176.3 | 0 | 0 | 0 | 112.5 | C22 | C22-L24 PolarHBondContact O-N 2.95Å; C22-L24 VanDerWaalsContact O-N 3.1Å | ||
| 25 | L | 30.1 | Very low | 39.1 | Very low | 171 Ų | 171 | 93.3 Ų | 93.3 | 90% | 0.895 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -135.9 | 143.3 | 159.9 | -72.5 | 177 | 0 | 0 | 0 | 110.2 | ||
| 26 | S | 33.6 | Very low | 40.9 | Very low | 112 Ų | 112 | 88.3 Ų | 88.3 | 78% | 0.783 | 47% | 0.474 | S | S | * | . | trans | -66 | 151.6 | -171.2 | -56.8 | 0 | 0 | 0 | 0 | 113.8 | C28 | S26-C28 PolarHBondContact O-N 3.41Š| ||
| 27 | P | 33 | Very low | 42.4 | Very low | 118 Ų | 118 | 80.7 Ų | 80.7 | 77% | 0.766 | 44% | 0.44 | S | S | * | . | trans | -74.3 | 120.5 | -176.8 | 29.6 | -34.7 | 0 | 0 | 0 | 112.6 | ||||
| 28 | C | 32.3 | Very low | 44.2 | Very low | 59 Ų | 59 | 71.5 Ų | 71.5 | 40% | 0.399 | 41% | 0.406 | S | S | . | . | trans | -146 | 179.7 | 162.4 | -84.7 | 0 | 0 | 0 | 0 | 107.2 | S26 D45 | S26-C28 PolarHBondContact O-N 3.41Å; C28-D45 CarbonylContact O-C 3.39Å; C28-D45 VanDerWaalsContact O-C 3.26Å; C28-D45 WeakPolarHBondContact O-CA 3.46Å; C28-D45 WeakPolarHBondContact O-CB 3.46Å | ||
| 29 | M | 46.9 | Very low | 45.9 | Very low | 31 Ų | 31 | 69.1 Ų | 69.1 | 15% | 0.153 | 39% | 0.387 | C | S | . | . | trans | -144.6 | -155.5 | -142.7 | -63.5 | -81.9 | -96.5 | 0 | 0 | 113.2 | D45 S46 Y47 Y51 T258 H269 | M29-D45 CarbonylContact C-O 3.6Å; M29-D45 WeakPolarHBondContact CA-O 3.47Å; M29-D45 VanDerWaalsContact O-O 3.05Å; M29-S46 VanDerWaalsContact C-CA 3.42Å; M29-S46 VanDerWaalsContact CA-CA 3.48Å; M29-S46 WeakPolarHBondContact CE-O 3.39Å; M29-Y47 HydrophobicContact CB-CD1 3.18Å; M29-Y47 HydrophobicContact CB-CD2 3.19Å; M29-Y47 HydrophobicContact CB-CE1 3.46Å; M29-Y47 VanDerWaalsContact CB-CE1 3.46Å; M29-Y47 HydrophobicContact CB-CE2 3.47Å; M29-Y47 VanDerWaalsContact CB-CE2 3.47Å; M29-Y47 HydrophobicContact CB-CG 2.98Å; M29-Y47 VanDerWaalsContact CB-N 3.33Å; M29-Y47 HydrophobicContact CG-CD1 3.75Å; M29-Y47 HydrophobicContact CG-CD2 4.47Å; M29-Y47 HydrophobicContact CG-CE1 3.76Å; M29-Y47 HydrophobicContact CG-CE2 4.48Å; M29-Y47 HydrophobicContact CG-CG 4.07Å; M29-Y51 HydrophobicContact CE-CD1 4.2Å; M29-Y51 HydrophobicContact CE-CD2 3.97Å; M29-Y51 HydrophobicContact CE-CE1 4.18Å; M29-Y51 HydrophobicContact CE-CE2 3.93Å; M29-Y51 HydrophobicContact CE-CG 4.09Å; M29-T258 VanDerWaalsContact O-CG2 3.23Å; M29-T258 WeakPolarHBondContact O-CG2 3.42Å; M29-H269 PolarHBondContact O-CD2 2.83Å; M29-H269 PolarHBondContact O-NE2 3.25Å | ||
| 30 | G | 45.3 | Very low | 47.5 | Very low | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 37% | 0.374 | C | S | . | . | trans | 164.9 | 110.8 | -138.6 | 0 | 0 | 0 | 0 | 0 | 121.8 | S46 Y47 T48 D256 H269 | G30-S46 VanDerWaalsContact CA-CA 3.42Å; G30-S46 VanDerWaalsContact N-C 3.28Å; G30-S46 CarbonylContact O-C 3.6Å; G30-S46 VanDerWaalsContact O-C 3.24Å; G30-S46 WeakPolarHBondContact O-CA 3.44Å; G30-S46 WeakPolarHBondContact O-CB 3.33Å; G30-Y47 VanDerWaalsContact C-C 3.45Å; G30-Y47 CarbonylContact C-O 3.57Å; G30-Y47 VanDerWaalsContact C-O 3.26Å; G30-Y47 VanDerWaalsContact N-CD2 3.3Å; G30-Y47 CarbonylContact O-C 3.59Å; G30-Y47 WeakPolarHBondContact O-CA 3.08Å; G30-Y47 PolarHBondContact O-N 3.4Å; G30-Y47 VanDerWaalsContact O-O 3.11Å; G30-T48 PolarHBondContact O-N 3.08Å; G30-D256 CarbonylContact C-O 3.54Å; G30-H269 WeakPolarHBondContact CA-CD2 3.48Å; G30-H269 WeakPolarHBondContact CA-CE1 3.44Å; G30-H269 WeakPolarHBondContact CA-NE2 3.38Å; G30-H269 PolarHBondContact N-CD2 3.09Å; G30-H269 VanDerWaalsContact N-CD2 3.26Å; G30-H269 PolarHBondContact N-NE2 2.86Å | ||
| 31 | F | 50 | Low | 49.4 | Very low | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | trans | -61.1 | 135.5 | 175.9 | -53.2 | -86.2 | 0 | 0 | 0 | 117.6 | Y47 H49 I52 Q157 D256 H269 A272 A273 A276 | F31-Y47 VanDerWaalsContact CA-O 3.23Å; F31-Y47 WeakPolarHBondContact CA-O 3.29Å; F31-Y47 PolarHBondContact N-O 3.49Å; F31-H49 AromaticContact CD1-CE1 3.73Å; F31-I52 HydrophobicContact CD1-CD1 3.62Å; F31-I52 HydrophobicContact CE1-CD1 3.36Å; F31-I52 HydrophobicContact CZ-CD1 4.24Å; F31-Q157 HydrophobicContact CD1-CB 4.33Å; F31-Q157 HydrophobicContact CE1-CB 3.88Å; F31-Q157 HydrophobicContact CE1-CG 4.37Å; F31-D256 CarbonylContact C-O 3.57Å; F31-D256 VanDerWaalsContact CA-O 3.23Å; F31-D256 WeakPolarHBondContact CA-O 3.27Å; F31-D256 WeakPolarHBondContact CB-O 3.47Å; F31-D256 PolarHBondContact N-O 2.9Å; F31-D256 CarbonylContact O-C 3.59Å; F31-D256 VanDerWaalsContact O-C 3.27Å; F31-H269 AromaticContact CD2-CE1 3.24Å; F31-H269 WeakPolarHBondContact CD2-CE1 3.5Å; F31-H269 AromaticContact CD2-ND1 3.59Å; F31-H269 AromaticContact CE2-CE1 3.6Å; F31-H269 AromaticContact CG-CE1 3.97Å; F31-H269 PolarHBondContact N-CE1 3.03Å; F31-A272 HydrophobicContact CE2-CB 3.81Å; F31-A272 HydrophobicContact CZ-CB 4.43Å; F31-A273 HydrophobicContact CE2-CB 4.05Å; F31-A273 HydrophobicContact CZ-CB 4.01Å; F31-A276 HydrophobicContact CE1-CB 3.55Å; F31-A276 HydrophobicContact CZ-CB 3.46Å; F31-A276 VanDerWaalsContact CZ-CB 3.46Å | ||
| 32 | F | 62.4 | Low | 51.1 | Low | 5 Ų | 5 | 60.5 Ų | 60.5 | 2% | 0.022 | 34% | 0.342 | C | S | . | . | trans | -173.3 | 168.9 | 160.1 | -101.9 | -49.5 | 0 | 0 | 0 | 108.6 | S34 S37 I41 T48 H49 D256 T257 F262 H612 | F32-S34 PolarHBondContact O-N 2.99Å; F32-S37 WeakPolarHBondContact CB-OG 3.22Å; F32-I41 HydrophobicContact CD2-CD1 3.27Å; F32-I41 HydrophobicContact CE2-CD1 3.41Å; F32-I41 VanDerWaalsContact CE2-CD1 3.41Å; F32-I41 HydrophobicContact CE2-CG2 4.5Å; F32-I41 HydrophobicContact CG-CD1 4.44Å; F32-T48 WeakPolarHBondContact O-CA 3.44Å; F32-T48 WeakPolarHBondContact O-CB 3.42Å; F32-T48 WeakPolarHBondContact O-CG2 3.4Å; F32-H49 VanDerWaalsContact C-CD2 3.48Å; F32-H49 PolarHBondContact O-CD2 2.85Å; F32-H49 PolarHBondContact O-N 2.85Å; F32-D256 HydrophobicContact CE1-CB 4.43Å; F32-D256 HydrophobicContact CE2-CB 4.42Å; F32-D256 HydrophobicContact CZ-CB 4.27Å; F32-T257 HydrophobicContact CD2-CG2 3.2Å; F32-T257 HydrophobicContact CE2-CG2 3.33Å; F32-T257 HydrophobicContact CG-CG2 4.33Å; F32-F262 HydrophobicContact CE2-CB 4.3Å; F32-F262 HydrophobicContact CZ-CB 4.32Å; F32-H612 HydrophobicContact CD1-CB 4.12Å; F32-H612 HydrophobicContact CE1-CB 4.12Å; F32-H612 AromaticContact CE1-ND1 3.7Å | ||
| 33 | P | 53.8 | Low | 52.9 | Low | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -71.5 | -26.9 | -165.1 | 21.8 | -30.5 | 0 | 0 | 0 | 114.5 | Q50 A98 D101 L102 H612 | P33-Q50 WeakPolarHBondContact O-CG 3.37Å; P33-A98 HydrophobicContact CB-CB 4.26Å; P33-A98 WeakPolarHBondContact O-CB 3.45Å; P33-D101 HydrophobicContact CB-CB 3.7Å; P33-D101 WeakPolarHBondContact CB-OD2 3.23Å; P33-D101 WeakPolarHBondContact CD-OD2 3.11Å; P33-D101 HydrophobicContact CG-CB 3.71Å; P33-D101 VanDerWaalsContact CG-OD2 3.22Å; P33-D101 WeakPolarHBondContact CG-OD2 3.42Å; P33-L102 HydrophobicContact CB-CD1 4.25Å; P33-L102 HydrophobicContact CB-CG 4.28Å; P33-L102 HydrophobicContact CG-CD2 4.18Å; P33-L102 HydrophobicContact CG-CG 4.44Å; P33-H612 HydrophobicContact CG-CB 4.27Å |
| 34 | S | 66.4 | Low | 54.4 | Low | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -147.5 | 163.3 | 173.6 | 75.7 | 0 | 0 | 0 | 0 | 114.9 | F32 W36 S37 T48 Q50 | F32-S34 PolarHBondContact O-N 2.99Å; S34-W36 PolarHBondContact O-N 2.63Å; S34-W36 VanDerWaalsContact O-N 3.07Å; S34-S37 WeakPolarHBondContact O-CB 3.39Å; S34-S37 PolarHBondContact O-N 3.03Å; S34-S37 PolarHBondContact O-OG 3.11Å; S34-T48 WeakPolarHBondContact O-CG2 3.42Å; S34-Q50 VanDerWaalsContact CA-CD 3.41Å |
| 35 | F | 65.8 | Low | 56 | Low | 37 Ų | 37 | 50 Ų | 50 | 16% | 0.162 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -48.9 | -35.3 | 175 | 170.2 | -93.6 | 0 | 0 | 0 | 112.7 | S37 K38 V39 S665 | F35-S37 VanDerWaalsContact C-N 3.3Å; F35-S37 PolarHBondContact O-N 2.7Å; F35-K38 HydrophobicContact CD2-CD 3.86Å; F35-K38 HydrophobicContact CE2-CD 3.92Å; F35-K38 VanDerWaalsContact O-CB 3.24Å; F35-K38 WeakPolarHBondContact O-CB 3.39Å; F35-K38 WeakPolarHBondContact O-CG 3.46Å; F35-K38 PolarHBondContact O-N 2.87Å; F35-K38 VanDerWaalsContact O-N 3.16Å; F35-V39 HydrophobicContact CD1-CG2 4.45Å; F35-V39 HydrophobicContact CE1-CG2 3.46Å; F35-V39 VanDerWaalsContact CE1-CG2 3.46Å; F35-V39 HydrophobicContact CZ-CG2 3.55Å; F35-S665 WeakPolarHBondContact CZ-OG 3.32Å |
| 36 | W | 68.1 | Low | 57.9 | Low | 43 Ų | 43 | 41.9 Ų | 41.9 | 16% | 0.163 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.6 | -24.9 | -178.6 | -90.7 | 83.7 | 0 | 0 | 0 | 115.4 | S34 K38 V39 L40 L615 F629 V677 | S34-W36 PolarHBondContact O-N 2.63Å; S34-W36 VanDerWaalsContact O-N 3.07Å; W36-K38 VanDerWaalsContact C-N 3.26Å; W36-K38 PolarHBondContact O-N 2.96Å; W36-V39 HydrophobicContact CE3-CB 4.23Å; W36-V39 HydrophobicContact CE3-CG1 4.42Å; W36-V39 HydrophobicContact CZ3-CB 4.46Å; W36-V39 HydrophobicContact CZ3-CG1 4.16Å; W36-V39 PolarHBondContact O-N 2.94Å; W36-L40 WeakPolarHBondContact O-CG 3.38Å; W36-L40 PolarHBondContact O-N 2.9Å; W36-L615 HydrophobicContact CB-CD1 3.92Å; W36-L615 HydrophobicContact CB-CG 3.79Å; W36-L615 VanDerWaalsContact CD1-CD1 3.49Å; W36-L615 HydrophobicContact CD2-CD1 3.88Å; W36-L615 HydrophobicContact CD2-CG 4.43Å; W36-L615 HydrophobicContact CG-CD1 3.42Å; W36-L615 VanDerWaalsContact CG-CD1 3.42Å; W36-L615 HydrophobicContact CG-CG 3.85Å; W36-F629 HydrophobicContact CH2-CE1 4.22Å; W36-F629 HydrophobicContact CZ3-CE1 4.21Å; W36-V677 HydrophobicContact CZ2-CB 3.63Å; W36-V677 HydrophobicContact CZ2-CG1 3.6Å |
| 37 | S | 62.3 | Low | 60 | Low | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58 | -44.1 | 172.2 | 73.3 | 0 | 0 | 0 | 0 | 110.3 | F32 S34 F35 V39 L40 I41 P613 | F32-S37 WeakPolarHBondContact CB-OG 3.22Å; S34-S37 WeakPolarHBondContact O-CB 3.39Å; S34-S37 PolarHBondContact O-N 3.03Å; S34-S37 PolarHBondContact O-OG 3.11Å; F35-S37 VanDerWaalsContact C-N 3.3Å; F35-S37 PolarHBondContact O-N 2.7Å; S37-V39 PolarHBondContact O-N 3.19Å; S37-L40 WeakPolarHBondContact O-CB 3.22Å; S37-L40 PolarHBondContact O-N 3.47Å; S37-I41 VanDerWaalsContact O-CD1 3.31Å; S37-I41 WeakPolarHBondContact O-CD1 3.48Å; S37-I41 WeakPolarHBondContact O-CG1 3.37Å; S37-I41 WeakPolarHBondContact O-CG2 3.27Å; S37-I41 PolarHBondContact O-N 3.49Å; S37-P613 WeakPolarHBondContact CB-O 3.32Å |
| 38 | K | 66.5 | Low | 62.4 | Low | 14 Ų | 14 | 33.6 Ų | 33.6 | 6% | 0.061 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -54 | -40.2 | 179.9 | -53.2 | -172.1 | -162.1 | 178.2 | 0 | 112.2 | F35 W36 L42 S43 S46 T48 | F35-K38 HydrophobicContact CD2-CD 3.86Å; F35-K38 HydrophobicContact CE2-CD 3.92Å; F35-K38 VanDerWaalsContact O-CB 3.24Å; F35-K38 WeakPolarHBondContact O-CB 3.39Å; F35-K38 WeakPolarHBondContact O-CG 3.46Å; F35-K38 PolarHBondContact O-N 2.87Å; F35-K38 VanDerWaalsContact O-N 3.16Å; W36-K38 VanDerWaalsContact C-N 3.26Å; W36-K38 PolarHBondContact O-N 2.96Å; K38-L42 CarbonylContact O-C 3.56Å; K38-L42 VanDerWaalsContact O-CA 3.29Å; K38-L42 WeakPolarHBondContact O-CA 3.42Å; K38-L42 PolarHBondContact O-N 2.74Å; K38-S43 WeakPolarHBondContact CB-O 3.38Å; K38-S43 PolarHBondContact O-N 3.07Å; K38-S43 VanDerWaalsContact O-N 3.15Å; K38-S46 WeakPolarHBondContact CE-O 3.21Å; K38-S46 PolarHBondContact NZ-O 3.44Å; K38-T48 HydrophobicContact CD-CG2 4.43Å; K38-T48 VanDerWaalsContact CE-CG2 3.48Å; K38-T48 HydrophobicContact CG-CG2 4.13Å |
| 39 | V | 64.9 | Low | 65 | Low | 45 Ų | 45 | 31 Ų | 31 | 27% | 0.273 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -69.4 | -44.8 | 178.7 | -175.4 | 0 | 0 | 0 | 0 | 110.4 | F35 W36 S37 I41 F44 | F35-V39 HydrophobicContact CD1-CG2 4.45Å; F35-V39 HydrophobicContact CE1-CG2 3.46Å; F35-V39 VanDerWaalsContact CE1-CG2 3.46Å; F35-V39 HydrophobicContact CZ-CG2 3.55Å; W36-V39 HydrophobicContact CE3-CB 4.23Å; W36-V39 HydrophobicContact CE3-CG1 4.42Å; W36-V39 HydrophobicContact CZ3-CB 4.46Å; W36-V39 HydrophobicContact CZ3-CG1 4.16Å; W36-V39 PolarHBondContact O-N 2.94Å; S37-V39 PolarHBondContact O-N 3.19Å; V39-I41 PolarHBondContact O-N 3.48Å; V39-F44 HydrophobicContact CG2-CE1 4.26Å |
| 40 | L | 65 | Low | 66.8 | Low | 86 Ų | 86 | 29.9 Ų | 29.9 | 45% | 0.45 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -66.2 | -34.6 | 179.1 | -66.3 | 171.3 | 0 | 0 | 0 | 113 | W36 S37 V607 | W36-L40 WeakPolarHBondContact O-CG 3.38Å; W36-L40 PolarHBondContact O-N 2.9Å; S37-L40 WeakPolarHBondContact O-CB 3.22Å; S37-L40 PolarHBondContact O-N 3.47Å; L40-V607 HydrophobicContact CD1-CG1 4.43Å |
| 41 | I | 67.3 | Low | 68.7 | Low | 9 Ų | 9 | 32.5 Ų | 32.5 | 5% | 0.046 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -101.7 | -4.2 | -174.7 | 72.5 | -159.6 | 0 | 0 | 0 | 114.3 | F32 S37 V39 S43 T257 F262 P613 | F32-I41 HydrophobicContact CD2-CD1 3.27Å; F32-I41 HydrophobicContact CE2-CD1 3.41Å; F32-I41 VanDerWaalsContact CE2-CD1 3.41Å; F32-I41 HydrophobicContact CE2-CG2 4.5Å; F32-I41 HydrophobicContact CG-CD1 4.44Å; S37-I41 VanDerWaalsContact O-CD1 3.31Å; S37-I41 WeakPolarHBondContact O-CD1 3.48Å; S37-I41 WeakPolarHBondContact O-CG1 3.37Å; S37-I41 WeakPolarHBondContact O-CG2 3.27Å; S37-I41 PolarHBondContact O-N 3.49Å; V39-I41 PolarHBondContact O-N 3.48Å; I41-S43 VanDerWaalsContact C-N 3.31Å; I41-S43 WeakPolarHBondContact CD1-OG 3.4Å; I41-S43 VanDerWaalsContact CG1-OG 3.26Å; I41-S43 WeakPolarHBondContact CG1-OG 3.25Å; I41-S43 PolarHBondContact O-N 3.37Å; I41-T257 HydrophobicContact CD1-CG2 3.83Å; I41-F262 HydrophobicContact CB-CD2 3.64Å; I41-F262 HydrophobicContact CB-CE1 4.45Å; I41-F262 HydrophobicContact CB-CE2 3.48Å; I41-F262 VanDerWaalsContact CB-CE2 3.48Å; I41-F262 HydrophobicContact CB-CG 4.2Å; I41-F262 HydrophobicContact CB-CZ 3.92Å; I41-F262 HydrophobicContact CG2-CD1 3.99Å; I41-F262 HydrophobicContact CG2-CD2 3.97Å; I41-F262 HydrophobicContact CG2-CE1 3.83Å; I41-F262 HydrophobicContact CG2-CE2 3.81Å; I41-F262 HydrophobicContact CG2-CG 4.07Å; I41-F262 HydrophobicContact CG2-CZ 3.73Å; I41-P613 HydrophobicContact CG2-CG 4.18Å |
| 42 | L | 66.7 | Low | 70.5 | Confident | 132 Ų | 132 | 32.7 Ų | 32.7 | 69% | 0.691 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 27.3 | -178.6 | -54.2 | 173.1 | 0 | 0 | 0 | 115.5 | K38 F44 | K38-L42 CarbonylContact O-C 3.56Å; K38-L42 VanDerWaalsContact O-CA 3.29Å; K38-L42 WeakPolarHBondContact O-CA 3.42Å; K38-L42 PolarHBondContact O-N 2.74Å; L42-F44 HydrophobicContact CB-CE2 4.48Å; L42-F44 HydrophobicContact CD2-CE2 4.06Å; L42-F44 HydrophobicContact CD2-CZ 4.37Å |
| 43 | S | 65.7 | Low | 72 | Confident | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.014 | 16% | 0.157 | C | C | . | . | trans | -103.2 | 79.1 | 171.8 | 68.4 | 0 | 0 | 0 | 0 | 111 | K38 I41 D45 S46 T258 | K38-S43 WeakPolarHBondContact CB-O 3.38Å; K38-S43 PolarHBondContact O-N 3.07Å; K38-S43 VanDerWaalsContact O-N 3.15Å; I41-S43 VanDerWaalsContact C-N 3.31Å; I41-S43 WeakPolarHBondContact CD1-OG 3.4Å; I41-S43 VanDerWaalsContact CG1-OG 3.26Å; I41-S43 WeakPolarHBondContact CG1-OG 3.25Å; I41-S43 PolarHBondContact O-N 3.37Å; S43-D45 VanDerWaalsContact C-N 3.26Å; S43-D45 PolarHBondContact O-N 3.47Å; S43-S46 WeakPolarHBondContact CB-OG 3.45Å; S43-S46 WeakPolarHBondContact O-CB 3.49Å; S43-S46 PolarHBondContact O-OG 3.48Å; S43-S46 VanDerWaalsContact O-OG 3.06Å; S43-S46 PolarHBondContact OG-OG 2.67Å; S43-T258 WeakPolarHBondContact CB-OG1 3.19Å | ||
| 44 | F | 63.8 | Low | 73.7 | Confident | 104 Ų | 104 | 33.2 Ų | 33.2 | 46% | 0.456 | 16% | 0.16 | S | C | . | . | trans | -70.2 | -28.3 | -179 | -66.1 | -82.2 | 0 | 0 | 0 | 112.6 | V39 L42 S46 | V39-F44 HydrophobicContact CG2-CE1 4.26Å; L42-F44 HydrophobicContact CB-CE2 4.48Å; L42-F44 HydrophobicContact CD2-CE2 4.06Å; L42-F44 HydrophobicContact CD2-CZ 4.37Å; F44-S46 PolarHBondContact O-N 3.39Å | ||
| 45 | D | 66.3 | Low | 74.8 | Confident | 78 Ų | 78 | 35.4 Ų | 35.4 | 42% | 0.417 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -71.4 | 63.2 | 164.8 | 58.3 | -19.4 | 0 | 0 | 0 | 110.1 | C28 M29 S43 T258 | C28-D45 CarbonylContact O-C 3.39Å; C28-D45 VanDerWaalsContact O-C 3.26Å; C28-D45 WeakPolarHBondContact O-CA 3.46Å; C28-D45 WeakPolarHBondContact O-CB 3.46Å; M29-D45 CarbonylContact C-O 3.6Å; M29-D45 WeakPolarHBondContact CA-O 3.47Å; M29-D45 VanDerWaalsContact O-O 3.05Å; S43-D45 VanDerWaalsContact C-N 3.26Å; S43-D45 PolarHBondContact O-N 3.47Å; D45-T258 HydrophobicContact CB-CG2 4.49Å; D45-T258 VanDerWaalsContact O-CG2 3.29Å; D45-T258 WeakPolarHBondContact O-CG2 3.39Å; D45-T258 PolarHBondContact O-OG1 2.96Å; D45-T258 PolarHBondContact OD1-OG1 3.18Å; D45-T258 WeakPolarHBondContact OD2-CB 3.3Å; D45-T258 PolarHBondContact OD2-OG1 3.12Å |
| 46 | S | 70.8 | Confident | 76.1 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.007 | 16% | 0.162 | C | C | . | . | trans | -134.7 | 140.4 | -179.6 | -74 | 0 | 0 | 0 | 0 | 117.5 | M29 G30 K38 S43 F44 | M29-S46 VanDerWaalsContact C-CA 3.42Å; M29-S46 VanDerWaalsContact CA-CA 3.48Å; M29-S46 WeakPolarHBondContact CE-O 3.39Å; G30-S46 VanDerWaalsContact CA-CA 3.42Å; G30-S46 VanDerWaalsContact N-C 3.28Å; G30-S46 CarbonylContact O-C 3.6Å; G30-S46 VanDerWaalsContact O-C 3.24Å; G30-S46 WeakPolarHBondContact O-CA 3.44Å; G30-S46 WeakPolarHBondContact O-CB 3.33Å; K38-S46 WeakPolarHBondContact CE-O 3.21Å; K38-S46 PolarHBondContact NZ-O 3.44Å; S43-S46 WeakPolarHBondContact CB-OG 3.45Å; S43-S46 WeakPolarHBondContact O-CB 3.49Å; S43-S46 PolarHBondContact O-OG 3.48Å; S43-S46 VanDerWaalsContact O-OG 3.06Å; S43-S46 PolarHBondContact OG-OG 2.67Å; F44-S46 PolarHBondContact O-N 3.39Å | ||
| 47 | Y | 77.8 | Confident | 77.4 | Confident | 53 Ų | 53 | 31.6 Ų | 31.6 | 21% | 0.208 | 16% | 0.155 | C | C | . | . | trans | -109.3 | 69.4 | -170.7 | -79.6 | -58.5 | 0 | 0 | 0 | 105.3 | M29 G30 F31 Y51 H269 V270 A273 | M29-Y47 HydrophobicContact CB-CD1 3.18Å; M29-Y47 HydrophobicContact CB-CD2 3.19Å; M29-Y47 HydrophobicContact CB-CE1 3.46Å; M29-Y47 VanDerWaalsContact CB-CE1 3.46Å; M29-Y47 HydrophobicContact CB-CE2 3.47Å; M29-Y47 VanDerWaalsContact CB-CE2 3.47Å; M29-Y47 HydrophobicContact CB-CG 2.98Å; M29-Y47 VanDerWaalsContact CB-N 3.33Å; M29-Y47 HydrophobicContact CG-CD1 3.75Å; M29-Y47 HydrophobicContact CG-CD2 4.47Å; M29-Y47 HydrophobicContact CG-CE1 3.76Å; M29-Y47 HydrophobicContact CG-CE2 4.48Å; M29-Y47 HydrophobicContact CG-CG 4.07Å; G30-Y47 VanDerWaalsContact C-C 3.45Å; G30-Y47 CarbonylContact C-O 3.57Å; G30-Y47 VanDerWaalsContact C-O 3.26Å; G30-Y47 VanDerWaalsContact N-CD2 3.3Å; G30-Y47 CarbonylContact O-C 3.59Å; G30-Y47 WeakPolarHBondContact O-CA 3.08Å; G30-Y47 PolarHBondContact O-N 3.4Å; G30-Y47 VanDerWaalsContact O-O 3.11Å; F31-Y47 VanDerWaalsContact CA-O 3.23Å; F31-Y47 WeakPolarHBondContact CA-O 3.29Å; F31-Y47 PolarHBondContact N-O 3.49Å; Y47-Y51 AromaticContact CD1-CD1 3.66Å; Y47-Y51 HydrophobicContact CD1-CD1 3.66Å; Y47-Y51 AromaticContact CD1-CE1 3.54Å; Y47-Y51 HydrophobicContact CD1-CE1 3.54Å; Y47-Y51 HydrophobicContact CE1-CD1 4.46Å; Y47-Y51 AromaticContact CE1-CE1 3.88Å; Y47-Y51 HydrophobicContact CE1-CE1 3.88Å; Y47-H269 AromaticContact CD2-NE2 3.58Å; Y47-V270 HydrophobicContact CE2-CG1 4.43Å; Y47-A273 HydrophobicContact CD2-CB 3.27Å; Y47-A273 HydrophobicContact CE2-CB 3.95Å; Y47-A273 HydrophobicContact CG-CB 3.93Å | ||
| 48 | T | 82.6 | Confident | 78.8 | Confident | 4 Ų | 4 | 32.2 Ų | 32.2 | 3% | 0.025 | 16% | 0.158 | C | C | . | . | trans | -57.3 | 157.4 | -177.5 | 45.7 | 0 | 0 | 0 | 0 | 111.1 | G30 F32 S34 K38 Q50 Y51 I52 | G30-T48 PolarHBondContact O-N 3.08Å; F32-T48 WeakPolarHBondContact O-CA 3.44Å; F32-T48 WeakPolarHBondContact O-CB 3.42Å; F32-T48 WeakPolarHBondContact O-CG2 3.4Å; S34-T48 WeakPolarHBondContact O-CG2 3.42Å; K38-T48 HydrophobicContact CD-CG2 4.43Å; K38-T48 VanDerWaalsContact CE-CG2 3.48Å; K38-T48 HydrophobicContact CG-CG2 4.13Å; T48-Q50 PolarHBondContact O-N 3.4Å; T48-Q50 VanDerWaalsContact O-N 3.14Å; T48-Y51 PolarHBondContact O-N 3.18Å; T48-Y51 PolarHBondContact OG1-N 3.42Å; T48-I52 PolarHBondContact O-N 3.1Å | ||
| 49 | H | 87 | Confident | 79.9 | Confident | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.019 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -53.6 | -36.7 | 174.5 | -67.8 | -82.3 | 0 | 0 | 0 | 111.3 | F31 F32 T53 N97 Q157 D158 | F31-H49 AromaticContact CD1-CE1 3.73Å; F32-H49 VanDerWaalsContact C-CD2 3.48Å; F32-H49 PolarHBondContact O-CD2 2.85Å; F32-H49 PolarHBondContact O-N 2.85Å; H49-T53 WeakPolarHBondContact O-CB 3.4Å; H49-T53 PolarHBondContact O-N 2.84Å; H49-T53 PolarHBondContact O-OG1 2.81Å; H49-N97 WeakPolarHBondContact CB-OD1 3.23Å; H49-Q157 WeakPolarHBondContact ND1-CB 3.46Å; H49-Q157 PolarHBondContact ND1-OE1 2.75Å; H49-D158 IonicContact CE1-OD1 2.71Å; H49-D158 PolarHBondContact CE1-OD1 2.89Å; H49-D158 IonicContact NE2-OD1 3.31Å |
| 50 | Q | 84.3 | Confident | 81.4 | Confident | 8 Ų | 8 | 34.1 Ų | 34.1 | 4% | 0.037 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -53.1 | -54.4 | 169.3 | -54.9 | -173 | -50.5 | 0 | 0 | 112.7 | P33 S34 T48 T53 E54 V94 A98 E675 | P33-Q50 WeakPolarHBondContact O-CG 3.37Å; S34-Q50 VanDerWaalsContact CA-CD 3.41Å; T48-Q50 PolarHBondContact O-N 3.4Å; T48-Q50 VanDerWaalsContact O-N 3.14Å; Q50-T53 PolarHBondContact O-N 3.17Å; Q50-E54 VanDerWaalsContact O-CB 3.32Å; Q50-E54 WeakPolarHBondContact O-CB 3.15Å; Q50-E54 PolarHBondContact O-N 3.39Å; Q50-V94 HydrophobicContact CB-CG1 3.57Å; Q50-V94 HydrophobicContact CG-CG1 3.62Å; Q50-A98 HydrophobicContact CG-CB 4.46Å; Q50-E675 PolarHBondContact NE2-OE1 3.07Å |
| 51 | Y | 84.6 | Confident | 82.7 | Confident | 54 Ų | 54 | 30 Ų | 30 | 21% | 0.212 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.3 | -44.8 | -176.8 | 177.1 | -88.5 | 0 | 0 | 0 | 111.7 | M29 Y47 T48 T53 Q55 | M29-Y51 HydrophobicContact CE-CD1 4.2Å; M29-Y51 HydrophobicContact CE-CD2 3.97Å; M29-Y51 HydrophobicContact CE-CE1 4.18Å; M29-Y51 HydrophobicContact CE-CE2 3.93Å; M29-Y51 HydrophobicContact CE-CG 4.09Å; Y47-Y51 AromaticContact CD1-CD1 3.66Å; Y47-Y51 HydrophobicContact CD1-CD1 3.66Å; Y47-Y51 AromaticContact CD1-CE1 3.54Å; Y47-Y51 HydrophobicContact CD1-CE1 3.54Å; Y47-Y51 HydrophobicContact CE1-CD1 4.46Å; Y47-Y51 AromaticContact CE1-CE1 3.88Å; Y47-Y51 HydrophobicContact CE1-CE1 3.88Å; T48-Y51 PolarHBondContact O-N 3.18Å; T48-Y51 PolarHBondContact OG1-N 3.42Å; Y51-T53 VanDerWaalsContact C-N 3.29Å; Y51-T53 PolarHBondContact O-N 3.46Å; Y51-Q55 HydrophobicContact CD1-CG 4.19Å; Y51-Q55 HydrophobicContact CD2-CG 4.13Å; Y51-Q55 HydrophobicContact CE1-CG 3.82Å; Y51-Q55 HydrophobicContact CE2-CG 3.77Å; Y51-Q55 HydrophobicContact CG-CG 4.34Å; Y51-Q55 WeakPolarHBondContact O-CB 3.39Å; Y51-Q55 VanDerWaalsContact O-CG 3.25Å; Y51-Q55 WeakPolarHBondContact O-CG 3.38Å; Y51-Q55 PolarHBondContact O-N 2.9Å |
| 52 | I | 89.2 | Confident | 83.8 | Confident | 5 Ų | 5 | 31.5 Ų | 31.5 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.5 | -43.8 | 177.3 | -64.6 | 176.4 | 0 | 0 | 0 | 110.2 | F31 T48 A56 Q157 A273 A277 | F31-I52 HydrophobicContact CD1-CD1 3.62Å; F31-I52 HydrophobicContact CE1-CD1 3.36Å; F31-I52 HydrophobicContact CZ-CD1 4.24Å; T48-I52 PolarHBondContact O-N 3.1Å; I52-A56 WeakPolarHBondContact O-CB 3.28Å; I52-A56 PolarHBondContact O-N 3.14Å; I52-Q157 HydrophobicContact CG2-CG 4.4Å; I52-A273 HydrophobicContact CD1-CB 4.2Å; I52-A277 HydrophobicContact CG2-CB 3.88Å |
| 53 | T | 93.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.5 | -52.3 | 178.8 | -63.7 | 0 | 0 | 0 | 0 | 112.2 | H49 Q50 Y51 A56 I57 V93 V94 N97 F153 Q157 | H49-T53 WeakPolarHBondContact O-CB 3.4Å; H49-T53 PolarHBondContact O-N 2.84Å; H49-T53 PolarHBondContact O-OG1 2.81Å; Q50-T53 PolarHBondContact O-N 3.17Å; Y51-T53 VanDerWaalsContact C-N 3.29Å; Y51-T53 PolarHBondContact O-N 3.46Å; T53-A56 PolarHBondContact O-N 3.42Å; T53-I57 HydrophobicContact CG2-CD1 3.72Å; T53-I57 VanDerWaalsContact O-CG1 3.29Å; T53-I57 WeakPolarHBondContact O-CG1 3.08Å; T53-I57 PolarHBondContact O-N 3Å; T53-V93 HydrophobicContact CG2-CB 4.49Å; T53-V93 HydrophobicContact CG2-CG1 3.81Å; T53-V94 HydrophobicContact CG2-CG2 3.91Å; T53-N97 PolarHBondContact OG1-ND2 2.61Å; T53-F153 HydrophobicContact CG2-CD2 3.66Å; T53-F153 HydrophobicContact CG2-CE2 4.09Å; T53-Q157 PolarHBondContact OG1-NE2 2.94Å |
| 54 | E | 89.4 | Confident | 86.1 | Confident | 15 Ų | 15 | 28 Ų | 28 | 7% | 0.07 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.2 | -53.2 | 179.1 | 174 | 179.4 | -163.1 | 0 | 0 | 111.2 | Q50 A56 I57 I58 V90 V94 S672 L673 | Q50-E54 VanDerWaalsContact O-CB 3.32Å; Q50-E54 WeakPolarHBondContact O-CB 3.15Å; Q50-E54 PolarHBondContact O-N 3.39Å; E54-A56 VanDerWaalsContact C-N 3.29Å; E54-A56 PolarHBondContact O-N 2.73Å; E54-I57 PolarHBondContact O-N 2.77Å; E54-I58 HydrophobicContact CG-CD1 3.56Å; E54-I58 HydrophobicContact CG-CG1 4.33Å; E54-I58 VanDerWaalsContact O-CG1 3.29Å; E54-I58 WeakPolarHBondContact O-CG1 3.47Å; E54-I58 PolarHBondContact O-N 2.73Å; E54-V90 HydrophobicContact CB-CG1 4.2Å; E54-V90 HydrophobicContact CG-CG1 4.04Å; E54-V94 HydrophobicContact CB-CG2 4.18Å; E54-S672 WeakPolarHBondContact OE1-CA 3.43Å; E54-L673 PolarHBondContact OE1-N 3.07Å |
| 55 | Q | 88.8 | Confident | 87.1 | Confident | 49 Ų | 49 | 23.8 Ų | 23.8 | 23% | 0.229 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.5 | -35.8 | -178.4 | -66.1 | -58.3 | -51.2 | 0 | 0 | 112.1 | Y51 K59 S672 | Y51-Q55 HydrophobicContact CD1-CG 4.19Å; Y51-Q55 HydrophobicContact CD2-CG 4.13Å; Y51-Q55 HydrophobicContact CE1-CG 3.82Å; Y51-Q55 HydrophobicContact CE2-CG 3.77Å; Y51-Q55 HydrophobicContact CG-CG 4.34Å; Y51-Q55 WeakPolarHBondContact O-CB 3.39Å; Y51-Q55 VanDerWaalsContact O-CG 3.25Å; Y51-Q55 WeakPolarHBondContact O-CG 3.38Å; Y51-Q55 PolarHBondContact O-N 2.9Å; Q55-K59 WeakPolarHBondContact O-CB 3.48Å; Q55-K59 PolarHBondContact O-N 3.22Å; Q55-S672 PolarHBondContact NE2-OG 2.85Å |
| 56 | A | 94.1 | Very high | 88 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.008 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66 | -44.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I52 T53 E54 V60 T280 Q281 L284 | I52-A56 WeakPolarHBondContact O-CB 3.28Å; I52-A56 PolarHBondContact O-N 3.14Å; T53-A56 PolarHBondContact O-N 3.42Å; E54-A56 VanDerWaalsContact C-N 3.29Å; E54-A56 PolarHBondContact O-N 2.73Å; A56-V60 WeakPolarHBondContact O-CG2 3.38Å; A56-V60 PolarHBondContact O-N 2.95Å; A56-T280 HydrophobicContact CB-CG2 3.62Å; A56-Q281 HydrophobicContact CB-CG 3.75Å; A56-L284 VanDerWaalsContact C-CD1 3.43Å; A56-L284 HydrophobicContact CB-CD1 3.75Å; A56-L284 WeakPolarHBondContact O-CD1 3.49Å |
| 57 | I | 95.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64 | -51.2 | 177.8 | -63.5 | 161.6 | 0 | 0 | 0 | 110.5 | T53 E54 K59 V60 S61 F86 V90 V93 F153 L284 F300 | T53-I57 HydrophobicContact CG2-CD1 3.72Å; T53-I57 VanDerWaalsContact O-CG1 3.29Å; T53-I57 WeakPolarHBondContact O-CG1 3.08Å; T53-I57 PolarHBondContact O-N 3Å; E54-I57 PolarHBondContact O-N 2.77Å; I57-K59 VanDerWaalsContact C-N 3.34Å; I57-K59 PolarHBondContact O-N 3.33Å; I57-V60 PolarHBondContact O-N 2.65Å; I57-S61 VanDerWaalsContact O-CB 3.23Å; I57-S61 WeakPolarHBondContact O-CB 3.41Å; I57-S61 PolarHBondContact O-N 2.97Å; I57-S61 PolarHBondContact O-OG 2.84Å; I57-S61 VanDerWaalsContact O-OG 3.06Å; I57-F86 HydrophobicContact CG2-CE2 3.93Å; I57-F86 HydrophobicContact CG2-CZ 4.1Å; I57-V90 HydrophobicContact CB-CG2 4.37Å; I57-V90 HydrophobicContact CG2-CG2 3.77Å; I57-V93 HydrophobicContact CD1-CB 4.04Å; I57-V93 HydrophobicContact CD1-CG1 4.03Å; I57-V93 HydrophobicContact CD1-CG2 4.44Å; I57-F153 HydrophobicContact CD1-CE2 4.45Å; I57-F153 HydrophobicContact CG1-CE2 4.41Å; I57-L284 HydrophobicContact CG1-CD1 4.03Å; I57-L284 HydrophobicContact CG1-CD2 4.44Å; I57-F300 HydrophobicContact CB-CE1 4.34Å; I57-F300 HydrophobicContact CD1-CE1 3.79Å; I57-F300 HydrophobicContact CD1-CZ 4.4Å; I57-F300 HydrophobicContact CG1-CE1 3.82Å; I57-F300 HydrophobicContact CG1-CZ 4.01Å; I57-F300 HydrophobicContact CG2-CD1 3.53Å; I57-F300 HydrophobicContact CG2-CD2 4.33Å; I57-F300 HydrophobicContact CG2-CE1 3.52Å; I57-F300 HydrophobicContact CG2-CE2 4.32Å; I57-F300 HydrophobicContact CG2-CG 3.95Å; I57-F300 HydrophobicContact CG2-CZ 3.94Å |
| 58 | I | 90.4 | Very high | 88.2 | Confident | 12 Ų | 12 | 30.5 Ų | 30.5 | 6% | 0.062 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -54.9 | -51.5 | 178.1 | -65.6 | 165.7 | 0 | 0 | 0 | 110.4 | E54 S61 L62 F86 W87 H671 | E54-I58 HydrophobicContact CG-CD1 3.56Å; E54-I58 HydrophobicContact CG-CG1 4.33Å; E54-I58 VanDerWaalsContact O-CG1 3.29Å; E54-I58 WeakPolarHBondContact O-CG1 3.47Å; E54-I58 PolarHBondContact O-N 2.73Å; I58-S61 PolarHBondContact O-N 3.03Å; I58-L62 HydrophobicContact CG2-CD1 3.74Å; I58-L62 HydrophobicContact CG2-CG 4.41Å; I58-L62 WeakPolarHBondContact O-CB 3.03Å; I58-L62 VanDerWaalsContact O-CG 3.26Å; I58-L62 WeakPolarHBondContact O-CG 3.23Å; I58-L62 PolarHBondContact O-N 3.01Å; I58-F86 HydrophobicContact CG1-CE1 4.15Å; I58-F86 HydrophobicContact CG1-CZ 4.02Å; I58-W87 HydrophobicContact CD1-CH2 3.73Å; I58-W87 HydrophobicContact CD1-CZ3 3.69Å; I58-W87 HydrophobicContact CG1-CH2 4.16Å; I58-W87 HydrophobicContact CG1-CZ3 3.99Å; I58-H671 WeakPolarHBondContact CD1-O 3.48Å |
| 59 | K | 91.4 | Very high | 87.4 | Confident | 99 Ų | 99 | 33.5 Ų | 33.5 | 43% | 0.43 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -61.1 | -50.5 | -176.9 | -178 | 178.8 | 173.3 | -171.7 | 0 | 111.7 | Q55 I57 L62 E63 | Q55-K59 WeakPolarHBondContact O-CB 3.48Å; Q55-K59 PolarHBondContact O-N 3.22Å; I57-K59 VanDerWaalsContact C-N 3.34Å; I57-K59 PolarHBondContact O-N 3.33Å; K59-L62 PolarHBondContact O-N 2.92Å; K59-E63 VanDerWaalsContact CE-OE1 3.23Å; K59-E63 WeakPolarHBondContact CE-OE1 3.39Å; K59-E63 WeakPolarHBondContact CG-OE1 3.42Å; K59-E63 WeakPolarHBondContact O-CG 3.03Å; K59-E63 PolarHBondContact O-N 3.27Å |
| 60 | V | 94.6 | Very high | 85.9 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.2 | -38.3 | -178.4 | -179.9 | 0 | 0 | 0 | 0 | 111 | A56 I57 L62 E63 V64 Q281 L284 R285 F296 | A56-V60 WeakPolarHBondContact O-CG2 3.38Å; A56-V60 PolarHBondContact O-N 2.95Å; I57-V60 PolarHBondContact O-N 2.65Å; V60-L62 VanDerWaalsContact C-N 3.34Å; V60-L62 PolarHBondContact O-N 3.33Å; V60-E63 WeakPolarHBondContact O-CB 3.27Å; V60-E63 PolarHBondContact O-N 2.69Å; V60-V64 HydrophobicContact CG1-CG2 4.25Å; V60-V64 WeakPolarHBondContact O-CG2 3.26Å; V60-V64 PolarHBondContact O-N 2.64Å; V60-Q281 HydrophobicContact CG2-CB 4.43Å; V60-L284 HydrophobicContact CB-CB 4.15Å; V60-L284 HydrophobicContact CB-CD1 4.4Å; V60-L284 HydrophobicContact CG1-CB 4.07Å; V60-L284 HydrophobicContact CG2-CB 3.96Å; V60-L284 HydrophobicContact CG2-CD1 4.25Å; V60-R285 HydrophobicContact CG1-CG 4.07Å; V60-R285 HydrophobicContact CG2-CG 4.15Å; V60-F296 HydrophobicContact CB-CZ 4.32Å; V60-F296 HydrophobicContact CG1-CE1 4.19Å; V60-F296 HydrophobicContact CG1-CE2 4.42Å; V60-F296 HydrophobicContact CG1-CZ 3.68Å |
| 61 | S | 93 | Very high | 84.3 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.9 | -38.6 | 174 | -67.5 | 0 | 0 | 0 | 0 | 112.9 | I57 I58 V64 L65 | I57-S61 VanDerWaalsContact O-CB 3.23Å; I57-S61 WeakPolarHBondContact O-CB 3.41Å; I57-S61 PolarHBondContact O-N 2.97Å; I57-S61 PolarHBondContact O-OG 2.84Å; I57-S61 VanDerWaalsContact O-OG 3.06Å; I58-S61 PolarHBondContact O-N 3.03Å; S61-V64 PolarHBondContact O-N 2.71Å; S61-L65 WeakPolarHBondContact O-CB 3.23Å; S61-L65 WeakPolarHBondContact O-CG 3.17Å; S61-L65 PolarHBondContact O-N 2.75Å |
| 62 | L | 89.9 | Confident | 82.4 | Confident | 40 Ų | 40 | 56.1 Ų | 56.1 | 21% | 0.209 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.6 | -36.7 | 173 | -70.1 | 172.3 | 0 | 0 | 0 | 112.5 | I58 K59 V60 R66 I80 L82 | I58-L62 HydrophobicContact CG2-CD1 3.74Å; I58-L62 HydrophobicContact CG2-CG 4.41Å; I58-L62 WeakPolarHBondContact O-CB 3.03Å; I58-L62 VanDerWaalsContact O-CG 3.26Å; I58-L62 WeakPolarHBondContact O-CG 3.23Å; I58-L62 PolarHBondContact O-N 3.01Å; K59-L62 PolarHBondContact O-N 2.92Å; V60-L62 VanDerWaalsContact C-N 3.34Å; V60-L62 PolarHBondContact O-N 3.33Å; L62-R66 WeakPolarHBondContact O-CB 3.43Å; L62-R66 WeakPolarHBondContact O-CD 3.48Å; L62-R66 WeakPolarHBondContact O-CG 3.24Å; L62-R66 PolarHBondContact O-N 3.18Å; L62-I80 HydrophobicContact CD2-CB 3.85Å; L62-I80 HydrophobicContact CD2-CD1 4.05Å; L62-I80 HydrophobicContact CD2-CG1 4.5Å; L62-I80 HydrophobicContact CD2-CG2 3.79Å; L62-L82 HydrophobicContact CD2-CD2 4Å |
| 63 | E | 90.5 | Very high | 80.1 | Confident | 55 Ų | 55 | 63.1 Ų | 63.1 | 26% | 0.257 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57 | -52.6 | 169 | -71.4 | 168.4 | -166.5 | 0 | 0 | 110.1 | K59 V60 L65 R66 D67 R285 | K59-E63 VanDerWaalsContact CE-OE1 3.23Å; K59-E63 WeakPolarHBondContact CE-OE1 3.39Å; K59-E63 WeakPolarHBondContact CG-OE1 3.42Å; K59-E63 WeakPolarHBondContact O-CG 3.03Å; K59-E63 PolarHBondContact O-N 3.27Å; V60-E63 WeakPolarHBondContact O-CB 3.27Å; V60-E63 PolarHBondContact O-N 2.69Å; E63-L65 PolarHBondContact O-N 3.09Å; E63-R66 PolarHBondContact O-N 3.24Å; E63-D67 PolarHBondContact O-N 3.41Å; E63-R285 IonicContact OE1-CZ 3.7Å; E63-R285 IonicContact OE1-NE 3.87Å; E63-R285 IonicContact OE1-NH2 3.5Å; E63-R285 PolarHBondContact OE1-NH2 3.47Å; E63-R285 IonicContact OE2-CZ 3.6Å; E63-R285 IonicContact OE2-NE 3.15Å; E63-R285 PolarHBondContact OE2-NE 2.72Å; E63-R285 IonicContact OE2-NH2 3.86Å; E63-R285 PolarHBondContact OE2-NH2 2.69Å; E63-R285 VanDerWaalsContact OE2-NH2 3.16Å |
| 64 | V | 89.8 | Confident | 77.8 | Confident | 5 Ų | 5 | 71.5 Ų | 71.5 | 3% | 0.03 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.5 | -46.5 | 179.6 | -171.7 | 0 | 0 | 0 | 0 | 111.9 | V60 S61 D67 T68 K288 P293 F296 L297 | V60-V64 HydrophobicContact CG1-CG2 4.25Å; V60-V64 WeakPolarHBondContact O-CG2 3.26Å; V60-V64 PolarHBondContact O-N 2.64Å; S61-V64 PolarHBondContact O-N 2.71Å; V64-D67 PolarHBondContact O-N 3.2Å; V64-T68 WeakPolarHBondContact O-CB 3.45Å; V64-T68 PolarHBondContact O-N 3Å; V64-T68 PolarHBondContact O-OG1 3.37Å; V64-K288 HydrophobicContact CB-CD 4.35Å; V64-K288 HydrophobicContact CG1-CD 4.35Å; V64-K288 HydrophobicContact CG2-CD 3.33Å; V64-K288 HydrophobicContact CG2-CG 3.84Å; V64-P293 HydrophobicContact CG1-CB 3.69Å; V64-F296 HydrophobicContact CB-CD1 4.43Å; V64-F296 HydrophobicContact CG1-CD1 4.49Å; V64-F296 HydrophobicContact CG2-CD1 3.65Å; V64-F296 HydrophobicContact CG2-CE1 3.62Å; V64-F296 HydrophobicContact CG2-CZ 4.48Å; V64-L297 HydrophobicContact CB-CD2 4.17Å; V64-L297 HydrophobicContact CG1-CD1 4.2Å; V64-L297 HydrophobicContact CG1-CD2 4.02Å; V64-L297 HydrophobicContact CG1-CG 3.95Å |
| 65 | L | 86.5 | Confident | 75.2 | Confident | 15 Ų | 15 | 80 Ų | 80 | 8% | 0.079 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 179.4 | -79.7 | 179.5 | 0 | 0 | 0 | 111.3 | S61 E63 D67 T68 T69 I80 L82 L297 V302 | S61-L65 WeakPolarHBondContact O-CB 3.23Å; S61-L65 WeakPolarHBondContact O-CG 3.17Å; S61-L65 PolarHBondContact O-N 2.75Å; E63-L65 PolarHBondContact O-N 3.09Å; L65-D67 VanDerWaalsContact C-N 3.34Å; L65-D67 PolarHBondContact O-N 3.03Å; L65-T68 PolarHBondContact O-N 3Å; L65-T69 WeakPolarHBondContact O-CG2 3.35Å; L65-T69 PolarHBondContact O-N 2.87Å; L65-T69 PolarHBondContact O-OG1 3.42Å; L65-T69 VanDerWaalsContact O-OG1 3.12Å; L65-I80 HydrophobicContact CD1-CG2 3.55Å; L65-L82 HydrophobicContact CD1-CD2 3.56Å; L65-L297 HydrophobicContact CD2-CD1 4.06Å; L65-L297 HydrophobicContact CD2-CD2 3.89Å; L65-L297 HydrophobicContact CG-CD2 4Å; L65-V302 HydrophobicContact CD1-CG1 3.71Å; L65-V302 HydrophobicContact CD2-CG1 3.9Å; L65-V302 HydrophobicContact CG-CG1 4.05Å |
| 66 | R | 84 | Confident | 72.9 | Confident | 123 Ų | 123 | 81.2 Ų | 81.2 | 46% | 0.464 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.1 | -41.3 | 179.8 | -75.3 | 168.2 | 170.7 | 177.3 | -5.9 | 112.1 | L62 E63 T68 T69 K70 I80 | L62-R66 WeakPolarHBondContact O-CB 3.43Å; L62-R66 WeakPolarHBondContact O-CD 3.48Å; L62-R66 WeakPolarHBondContact O-CG 3.24Å; L62-R66 PolarHBondContact O-N 3.18Å; E63-R66 PolarHBondContact O-N 3.24Å; R66-T68 VanDerWaalsContact C-N 3.35Å; R66-T69 PolarHBondContact O-N 3.32Å; R66-T69 PolarHBondContact O-OG1 2.9Å; R66-K70 VanDerWaalsContact O-CG 3.24Å; R66-K70 WeakPolarHBondContact O-CG 3.38Å; R66-K70 PolarHBondContact O-N 2.89Å; R66-I80 HydrophobicContact CG-CD1 4.23Å |
| 67 | D | 80.1 | Confident | 70.2 | Confident | 94 Ų | 94 | 90.2 Ų | 90.2 | 50% | 0.503 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -72.3 | -31.5 | 179 | -69 | -18.6 | 0 | 0 | 0 | 112.2 | E63 V64 L65 K70 | E63-D67 PolarHBondContact O-N 3.41Å; V64-D67 PolarHBondContact O-N 3.2Å; L65-D67 VanDerWaalsContact C-N 3.34Å; L65-D67 PolarHBondContact O-N 3.03Å; D67-K70 IonicContact OD1-NZ 3.6Å; D67-K70 PolarHBondContact OD1-NZ 3.19Å |
| 68 | T | 72.6 | Confident | 67.8 | Low | 56 Ų | 56 | 99.1 Ų | 99.1 | 34% | 0.344 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -73.6 | -34.3 | 173.5 | -46.7 | 0 | 0 | 0 | 0 | 112.2 | V64 L65 R66 | V64-T68 WeakPolarHBondContact O-CB 3.45Å; V64-T68 PolarHBondContact O-N 3Å; V64-T68 PolarHBondContact O-OG1 3.37Å; L65-T68 PolarHBondContact O-N 3Å; R66-T68 VanDerWaalsContact C-N 3.35Å |
| 69 | T | 66.7 | Low | 66.2 | Low | 68 Ų | 68 | 105.2 Ų | 105.2 | 42% | 0.417 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -82.7 | -24.5 | 179.1 | 57.6 | 0 | 0 | 0 | 0 | 113.9 | L65 R66 Q71 R72 | L65-T69 WeakPolarHBondContact O-CG2 3.35Å; L65-T69 PolarHBondContact O-N 2.87Å; L65-T69 PolarHBondContact O-OG1 3.42Å; L65-T69 VanDerWaalsContact O-OG1 3.12Å; R66-T69 PolarHBondContact O-N 3.32Å; R66-T69 PolarHBondContact O-OG1 2.9Å; T69-Q71 PolarHBondContact O-N 3.36Å; T69-R72 CarbonylContact O-C 3.58Å; T69-R72 PolarHBondContact O-N 3.44Å |
| 70 | K | 55.7 | Low | 65 | Low | 154 Ų | 154 | 103 Ų | 103 | 67% | 0.67 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -18.9 | 170.7 | -80.2 | 168.3 | -167 | 161.9 | 0 | 113.5 | R66 D67 | R66-K70 VanDerWaalsContact O-CG 3.24Å; R66-K70 WeakPolarHBondContact O-CG 3.38Å; R66-K70 PolarHBondContact O-N 2.89Å; D67-K70 IonicContact OD1-NZ 3.6Å; D67-K70 PolarHBondContact OD1-NZ 3.19Å |
| 71 | Q | 49.3 | Very low | 64 | Low | 171 Ų | 171 | 106.8 Ų | 106.8 | 80% | 0.799 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 0.4 | 172.5 | -66.4 | -176 | -28.1 | 0 | 0 | 114 | T69 | T69-Q71 PolarHBondContact O-N 3.36Š|
| 72 | R | 45.8 | Very low | 63.4 | Low | 215 Ų | 215 | 107.3 Ų | 107.3 | 81% | 0.811 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -143 | 51.4 | -173.4 | -64.5 | -171.6 | 179.2 | -172.3 | -1 | 113.5 | T69 | T69-R72 CarbonylContact O-C 3.58Å; T69-R72 PolarHBondContact O-N 3.44Å |
| 73 | D | 40.4 | Very low | 62.9 | Low | 153 Ų | 153 | 105.8 Ų | 105.8 | 82% | 0.818 | 52% | 0.521 | S | S | * | . | trans | 77.4 | 151.1 | 170.7 | -76.4 | -39.4 | 0 | 0 | 0 | 121.2 | Q75 | D73-Q75 PolarHBondContact O-N 2.88Š| ||
| 74 | L | 45.5 | Very low | 62.4 | Low | 175 Ų | 175 | 105 Ų | 105 | 92% | 0.916 | 52% | 0.516 | S | S | * | . | trans | -82.9 | 95.2 | 179.8 | -72 | 140.3 | 0 | 0 | 0 | 111.4 | ||||
| 75 | Q | 35.7 | Very low | 62.2 | Low | 195 Ų | 195 | 106.1 Ų | 106.1 | 91% | 0.911 | 53% | 0.528 | S | S | * | . | trans | -131.1 | 140.9 | 158.8 | -83.6 | -175.2 | -5.9 | 0 | 0 | 111.5 | D73 | D73-Q75 PolarHBondContact O-N 2.88Š| ||
| 76 | G | 38.8 | Very low | 62.2 | Low | 73 Ų | 73 | 105.4 Ų | 105.4 | 75% | 0.753 | 53% | 0.525 | S | S | * | . | trans | -68.1 | 168.9 | -155.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | K78 | G76-K78 PolarHBondContact O-N 3.47Š| ||
| 77 | E | 39 | Very low | 62.4 | Low | 190 Ų | 190 | 101.4 Ų | 101.4 | 89% | 0.888 | 51% | 0.509 | S | S | * | . | trans | -60.8 | 85.3 | -176.6 | -63.6 | -176.6 | 122.3 | 0 | 0 | 113.2 | ||||
| 78 | K | 44.8 | Very low | 62.7 | Low | 187 Ų | 187 | 98 Ų | 98 | 81% | 0.813 | 49% | 0.49 | S | S | * | . | trans | -86.9 | 146 | 150.2 | -75.2 | -178.6 | 175.3 | 178.7 | 0 | 108.9 | G76 I80 | G76-K78 PolarHBondContact O-N 3.47Å; K78-I80 PolarHBondContact O-N 3.1Å; K78-I80 VanDerWaalsContact O-N 3.14Å | ||
| 79 | N | 56.1 | Low | 63.6 | Low | 140 Ų | 140 | 95.4 Ų | 95.4 | 75% | 0.749 | 47% | 0.473 | S | S | * | . | trans | -48.1 | 121.9 | 173.5 | -74.6 | -16 | 0 | 0 | 0 | 110.3 | Y81 | N79-Y81 PolarHBondContact O-N 3.02Š| ||
| 80 | I | 66.4 | Low | 64.8 | Low | 53 Ų | 53 | 92.2 Ų | 92.2 | 27% | 0.272 | 45% | 0.454 | S | S | . | . | trans | -72.2 | 99.3 | -176.5 | -64.3 | 179.2 | 0 | 0 | 0 | 108 | L62 L65 R66 K78 L82 | L62-I80 HydrophobicContact CD2-CB 3.85Å; L62-I80 HydrophobicContact CD2-CD1 4.05Å; L62-I80 HydrophobicContact CD2-CG1 4.5Å; L62-I80 HydrophobicContact CD2-CG2 3.79Å; L65-I80 HydrophobicContact CD1-CG2 3.55Å; R66-I80 HydrophobicContact CG-CD1 4.23Å; K78-I80 PolarHBondContact O-N 3.1Å; K78-I80 VanDerWaalsContact O-N 3.14Å; I80-L82 HydrophobicContact CG2-CD2 4.07Å; I80-L82 PolarHBondContact O-N 3.24Å | ||
| 81 | Y | 73.7 | Confident | 66.3 | Low | 80 Ų | 80 | 85.7 Ų | 85.7 | 31% | 0.314 | 43% | 0.425 | S | S | . | . | trans | -59.9 | 128.9 | 170.3 | -173.9 | -125.2 | 0 | 0 | 0 | 109.6 | N79 R303 D497 | N79-Y81 PolarHBondContact O-N 3.02Å; Y81-R303 WeakPolarHBondContact O-CG 3.29Å; Y81-R303 PolarHBondContact O-NE 2.99Å; Y81-R303 PolarHBondContact O-NH2 3.3Å; Y81-D497 PolarHBondContact OH-OD1 3.1Å; Y81-D497 PolarHBondContact OH-OD2 3.39Å; Y81-D497 VanDerWaalsContact OH-OD2 3.12Å | ||
| 82 | L | 80.8 | Confident | 68.2 | Low | 12 Ų | 12 | 79.5 Ų | 79.5 | 6% | 0.063 | 40% | 0.398 | C | S | . | . | trans | -101.4 | -17.9 | -178.5 | -63.4 | 174.2 | 0 | 0 | 0 | 112.9 | L62 L65 I80 F86 V302 R303 | L62-L82 HydrophobicContact CD2-CD2 4Å; L65-L82 HydrophobicContact CD1-CD2 3.56Å; I80-L82 HydrophobicContact CG2-CD2 4.07Å; I80-L82 PolarHBondContact O-N 3.24Å; L82-F86 HydrophobicContact CB-CB 4.01Å; L82-F86 HydrophobicContact CB-CD1 3.58Å; L82-F86 HydrophobicContact CB-CE1 4.21Å; L82-F86 HydrophobicContact CB-CG 3.77Å; L82-F86 HydrophobicContact CD1-CD1 3.69Å; L82-F86 HydrophobicContact CD1-CE1 3.38Å; L82-F86 HydrophobicContact CD1-CE2 4.45Å; L82-F86 HydrophobicContact CD1-CG 4.37Å; L82-F86 HydrophobicContact CD1-CZ 3.8Å; L82-F86 HydrophobicContact CG-CD1 4.23Å; L82-F86 HydrophobicContact CG-CE1 4.37Å; L82-F86 WeakPolarHBondContact O-CB 3.26Å; L82-V302 HydrophobicContact CD2-CG1 4.14Å; L82-R303 PolarHBondContact O-N 3.07Å | ||
| 83 | G | 79.9 | Confident | 70.6 | Confident | 7 Ų | 7 | 69.3 Ų | 69.3 | 7% | 0.072 | 36% | 0.359 | C | S | . | . | trans | 88.8 | 157.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | F86 | G83-F86 PolarHBondContact O-N 3.31Š| ||
| 84 | R | 79.6 | Confident | 73 | Confident | 40 Ų | 40 | 62 Ų | 62 | 15% | 0.151 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.1 | -46.9 | 175 | -178.8 | -165.4 | -62.2 | -129.3 | -3.4 | 112.6 | F86 W87 R88 K498 D599 | R84-F86 PolarHBondContact O-N 2.94Å; R84-W87 PolarHBondContact O-N 3.34Å; R84-R88 PolarHBondContact O-N 3.24Å; R84-R88 VanDerWaalsContact O-N 3.09Å; R84-K498 PolarHBondContact NH2-O 2.96Å; R84-K498 VanDerWaalsContact NH2-O 3.15Å; R84-D599 IonicContact CZ-OD2 3.23Å; R84-D599 VanDerWaalsContact CZ-OD2 3.3Å; R84-D599 IonicContact NH1-OD2 3.57Å; R84-D599 PolarHBondContact NH1-OD2 3.11Å; R84-D599 VanDerWaalsContact NH2-CB 3.34Å; R84-D599 IonicContact NH2-OD2 2.74Å; R84-D599 PolarHBondContact NH2-OD2 2.84Å; R84-D599 VanDerWaalsContact NH2-OD2 3.09Å |
| 85 | G | 83.9 | Confident | 75 | Confident | 28 Ų | 28 | 54.5 Ų | 54.5 | 29% | 0.289 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56.7 | -33.8 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | A89 S301 | G85-A89 WeakPolarHBondContact O-CB 3.33Å; G85-A89 PolarHBondContact O-N 2.86Å; G85-S301 VanDerWaalsContact C-CB 3.49Å; G85-S301 WeakPolarHBondContact O-CB 3.27Å |
| 86 | F | 88.3 | Confident | 77.6 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.1 | -47.4 | 173.6 | 170.1 | -94.2 | 0 | 0 | 0 | 112.5 | I57 I58 L82 G83 R84 R88 A89 V90 F300 V302 | I57-F86 HydrophobicContact CG2-CE2 3.93Å; I57-F86 HydrophobicContact CG2-CZ 4.1Å; I58-F86 HydrophobicContact CG1-CE1 4.15Å; I58-F86 HydrophobicContact CG1-CZ 4.02Å; L82-F86 HydrophobicContact CB-CB 4.01Å; L82-F86 HydrophobicContact CB-CD1 3.58Å; L82-F86 HydrophobicContact CB-CE1 4.21Å; L82-F86 HydrophobicContact CB-CG 3.77Å; L82-F86 HydrophobicContact CD1-CD1 3.69Å; L82-F86 HydrophobicContact CD1-CE1 3.38Å; L82-F86 HydrophobicContact CD1-CE2 4.45Å; L82-F86 HydrophobicContact CD1-CG 4.37Å; L82-F86 HydrophobicContact CD1-CZ 3.8Å; L82-F86 HydrophobicContact CG-CD1 4.23Å; L82-F86 HydrophobicContact CG-CE1 4.37Å; L82-F86 WeakPolarHBondContact O-CB 3.26Å; G83-F86 PolarHBondContact O-N 3.31Å; R84-F86 PolarHBondContact O-N 2.94Å; F86-R88 VanDerWaalsContact C-N 3.31Å; F86-R88 PolarHBondContact O-N 3.36Å; F86-A89 CarbonylContact O-C 3.58Å; F86-A89 PolarHBondContact O-N 3.36Å; F86-A89 VanDerWaalsContact O-N 3.09Å; F86-V90 HydrophobicContact CD1-CG2 4.14Å; F86-V90 HydrophobicContact CD2-CG2 4.31Å; F86-V90 HydrophobicContact CE1-CG2 3.6Å; F86-V90 HydrophobicContact CE2-CG2 3.82Å; F86-V90 HydrophobicContact CG-CG2 4.48Å; F86-V90 HydrophobicContact CZ-CG2 3.42Å; F86-V90 VanDerWaalsContact CZ-CG2 3.42Å; F86-V90 WeakPolarHBondContact O-CG2 3.44Å; F86-V90 PolarHBondContact O-N 3.04Å; F86-F300 WeakPolarHBondContact CA-O 3.35Å; F86-F300 WeakPolarHBondContact CB-O 3.41Å; F86-F300 HydrophobicContact CD2-CB 3.93Å; F86-F300 WeakPolarHBondContact CD2-O 3.11Å; F86-F300 HydrophobicContact CE2-CB 4.13Å; F86-V302 HydrophobicContact CD2-CG2 3.62Å; F86-V302 HydrophobicContact CE2-CG2 4.19Å |
| 87 | W | 86.6 | Confident | 80.2 | Confident | 38 Ų | 38 | 42 Ų | 42 | 14% | 0.144 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.2 | -36.1 | -179.9 | -71.1 | 127.4 | 0 | 0 | 0 | 112.6 | I58 R84 V90 R91 T635 L673 | I58-W87 HydrophobicContact CD1-CH2 3.73Å; I58-W87 HydrophobicContact CD1-CZ3 3.69Å; I58-W87 HydrophobicContact CG1-CH2 4.16Å; I58-W87 HydrophobicContact CG1-CZ3 3.99Å; R84-W87 PolarHBondContact O-N 3.34Å; W87-V90 HydrophobicContact CE3-CG2 4.47Å; W87-R91 WeakPolarHBondContact O-CB 3.4Å; W87-R91 PolarHBondContact O-N 3.19Å; W87-T635 HydrophobicContact CB-CG2 4.06Å; W87-L673 HydrophobicContact CB-CD1 3.98Å; W87-L673 HydrophobicContact CB-CD2 4.38Å; W87-L673 HydrophobicContact CD2-CD1 3.75Å; W87-L673 HydrophobicContact CD2-CD2 3.73Å; W87-L673 HydrophobicContact CD2-CG 3.77Å; W87-L673 HydrophobicContact CE3-CD1 3.23Å; W87-L673 HydrophobicContact CE3-CD2 3.93Å; W87-L673 HydrophobicContact CE3-CG 3.4Å; W87-L673 VanDerWaalsContact CE3-CG 3.4Å; W87-L673 HydrophobicContact CG-CD1 4.11Å; W87-L673 HydrophobicContact CG-CD2 3.97Å; W87-L673 HydrophobicContact CG-CG 4.37Å; W87-L673 HydrophobicContact CH2-CG 4.15Å; W87-L673 HydrophobicContact CZ2-CD2 4.47Å; W87-L673 HydrophobicContact CZ3-CD1 3.83Å; W87-L673 HydrophobicContact CZ3-CD2 4.33Å; W87-L673 HydrophobicContact CZ3-CG 3.59Å |
| 88 | R | 86.8 | Confident | 82.6 | Confident | 24 Ų | 24 | 33.1 Ų | 33.1 | 9% | 0.091 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.1 | -43.8 | 168.7 | -177.5 | 161.1 | -177.6 | 140.6 | -3.3 | 112.2 | R84 F86 V90 R91 D92 E401 L601 | R84-R88 PolarHBondContact O-N 3.24Å; R84-R88 VanDerWaalsContact O-N 3.09Å; F86-R88 VanDerWaalsContact C-N 3.31Å; F86-R88 PolarHBondContact O-N 3.36Å; R88-V90 PolarHBondContact O-N 2.81Å; R88-R91 WeakPolarHBondContact O-CB 3.42Å; R88-R91 PolarHBondContact O-N 3.02Å; R88-R91 VanDerWaalsContact O-N 3.11Å; R88-D92 VanDerWaalsContact O-CG 3.31Å; R88-D92 PolarHBondContact O-N 3.14Å; R88-E401 VanDerWaalsContact CD-CD 3.41Å; R88-E401 WeakPolarHBondContact CD-OE1 3.37Å; R88-E401 IonicContact CZ-OE1 3.27Å; R88-E401 IonicContact NE-OE1 3.91Å; R88-E401 VanDerWaalsContact NH1-CD 3.31Å; R88-E401 VanDerWaalsContact NH1-CG 3.25Å; R88-E401 IonicContact NH1-OE1 2.74Å; R88-E401 PolarHBondContact NH1-OE1 3.44Å; R88-L601 HydrophobicContact CB-CD1 4Å; R88-L601 HydrophobicContact CB-CD2 4.36Å |
| 89 | A | 91.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.8 | -37.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | G85 F86 V93 | G85-A89 WeakPolarHBondContact O-CB 3.33Å; G85-A89 PolarHBondContact O-N 2.86Å; F86-A89 CarbonylContact O-C 3.58Å; F86-A89 PolarHBondContact O-N 3.36Å; F86-A89 VanDerWaalsContact O-N 3.09Å; A89-V93 WeakPolarHBondContact O-CG2 3.47Å; A89-V93 PolarHBondContact O-N 2.82Å |
| 90 | V | 91.6 | Very high | 86.3 | Confident | 2 Ų | 2 | 18.4 Ų | 18.4 | 1% | 0.012 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.1 | -47.9 | 168.8 | 171.3 | 0 | 0 | 0 | 0 | 110.1 | E54 I57 F86 W87 R88 D92 V93 V94 | E54-V90 HydrophobicContact CB-CG1 4.2Å; E54-V90 HydrophobicContact CG-CG1 4.04Å; I57-V90 HydrophobicContact CB-CG2 4.37Å; I57-V90 HydrophobicContact CG2-CG2 3.77Å; F86-V90 HydrophobicContact CD1-CG2 4.14Å; F86-V90 HydrophobicContact CD2-CG2 4.31Å; F86-V90 HydrophobicContact CE1-CG2 3.6Å; F86-V90 HydrophobicContact CE2-CG2 3.82Å; F86-V90 HydrophobicContact CG-CG2 4.48Å; F86-V90 HydrophobicContact CZ-CG2 3.42Å; F86-V90 VanDerWaalsContact CZ-CG2 3.42Å; F86-V90 WeakPolarHBondContact O-CG2 3.44Å; F86-V90 PolarHBondContact O-N 3.04Å; W87-V90 HydrophobicContact CE3-CG2 4.47Å; R88-V90 PolarHBondContact O-N 2.81Å; V90-D92 VanDerWaalsContact C-N 3.31Å; V90-D92 PolarHBondContact O-N 2.94Å; V90-V93 PolarHBondContact O-N 2.9Å; V90-V93 VanDerWaalsContact O-N 3.17Å; V90-V94 HydrophobicContact CG1-CG2 3.96Å; V90-V94 WeakPolarHBondContact O-CB 3.45Å; V90-V94 VanDerWaalsContact O-CG2 3.31Å; V90-V94 WeakPolarHBondContact O-CG2 3.29Å; V90-V94 PolarHBondContact O-N 3Å |
| 91 | R | 87.6 | Confident | 87.3 | Confident | 17 Ų | 17 | 16 Ų | 16 | 6% | 0.064 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.8 | -38.1 | -180 | -175 | 60.6 | 67.7 | -160.8 | 9.1 | 112.5 | W87 R88 V94 N95 L601 T633 E675 | W87-R91 WeakPolarHBondContact O-CB 3.4Å; W87-R91 PolarHBondContact O-N 3.19Å; R88-R91 WeakPolarHBondContact O-CB 3.42Å; R88-R91 PolarHBondContact O-N 3.02Å; R88-R91 VanDerWaalsContact O-N 3.11Å; R91-V94 PolarHBondContact O-N 3.31Å; R91-N95 WeakPolarHBondContact CD-OD1 3.37Å; R91-N95 WeakPolarHBondContact O-CB 3.39Å; R91-N95 PolarHBondContact O-N 3.41Å; R91-N95 PolarHBondContact O-OD1 3.07Å; R91-L601 HydrophobicContact CB-CD1 4.41Å; R91-T633 PolarHBondContact NH2-OG1 2.82Å; R91-E675 IonicContact CZ-OE1 3.91Å; R91-E675 IonicContact NH1-OE1 2.67Å; R91-E675 PolarHBondContact NH1-OE1 3.2Å; R91-E675 IonicContact NH2-OE1 3.96Å; R91-E675 PolarHBondContact NH2-OE1 2.97Å |
| 92 | D | 90.4 | Very high | 87.9 | Confident | 41 Ų | 41 | 12.7 Ų | 12.7 | 22% | 0.219 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61.1 | -44.2 | 175.4 | -64.5 | -29.1 | 0 | 0 | 0 | 111.9 | R88 V90 S96 R146 | R88-D92 VanDerWaalsContact O-CG 3.31Å; R88-D92 PolarHBondContact O-N 3.14Å; V90-D92 VanDerWaalsContact C-N 3.31Å; V90-D92 PolarHBondContact O-N 2.94Å; D92-S96 WeakPolarHBondContact O-CB 3.4Å; D92-S96 PolarHBondContact O-N 3.44Å; D92-R146 HydrophobicContact CB-CB 4.31Å; D92-R146 IonicContact OD2-CZ 3.71Å; D92-R146 VanDerWaalsContact OD2-CZ 3.27Å; D92-R146 IonicContact OD2-NE 2.85Å; D92-R146 IonicContact OD2-NH1 3.39Å; D92-R146 PolarHBondContact OD2-NH1 2.91Å; D92-R146 IonicContact OD2-NH2 3.11Å |
| 93 | V | 95 | Very high | 88.1 | Confident | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -71.1 | -41.5 | 177.9 | -175.5 | 0 | 0 | 0 | 0 | 111.5 | T53 I57 A89 V90 S96 N97 R146 L149 G150 F153 F300 | T53-V93 HydrophobicContact CG2-CB 4.49Å; T53-V93 HydrophobicContact CG2-CG1 3.81Å; I57-V93 HydrophobicContact CD1-CB 4.04Å; I57-V93 HydrophobicContact CD1-CG1 4.03Å; I57-V93 HydrophobicContact CD1-CG2 4.44Å; A89-V93 WeakPolarHBondContact O-CG2 3.47Å; A89-V93 PolarHBondContact O-N 2.82Å; V90-V93 PolarHBondContact O-N 2.9Å; V90-V93 VanDerWaalsContact O-N 3.17Å; V93-S96 PolarHBondContact O-N 2.98Å; V93-N97 WeakPolarHBondContact O-CB 3.37Å; V93-N97 PolarHBondContact O-N 2.8Å; V93-R146 HydrophobicContact CG2-CB 3.64Å; V93-R146 HydrophobicContact CG2-CG 3.64Å; V93-L149 HydrophobicContact CG1-CB 4.31Å; V93-L149 HydrophobicContact CG1-CD2 4.17Å; V93-L149 HydrophobicContact CG1-CG 4.15Å; V93-L149 HydrophobicContact CG2-CD2 4.25Å; V93-G150 WeakPolarHBondContact O-CA 3.32Å; V93-F153 HydrophobicContact CG1-CD2 3.86Å; V93-F153 HydrophobicContact CG1-CE2 3.91Å; V93-F300 HydrophobicContact CG2-CE1 4.13Å |
| 94 | V | 90.6 | Very high | 88.2 | Confident | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.006 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.7 | -46.8 | 177.8 | 163.4 | 0 | 0 | 0 | 0 | 111.3 | Q50 T53 E54 V90 R91 N97 A98 | Q50-V94 HydrophobicContact CB-CG1 3.57Å; Q50-V94 HydrophobicContact CG-CG1 3.62Å; T53-V94 HydrophobicContact CG2-CG2 3.91Å; E54-V94 HydrophobicContact CB-CG2 4.18Å; V90-V94 HydrophobicContact CG1-CG2 3.96Å; V90-V94 WeakPolarHBondContact O-CB 3.45Å; V90-V94 VanDerWaalsContact O-CG2 3.31Å; V90-V94 WeakPolarHBondContact O-CG2 3.29Å; V90-V94 PolarHBondContact O-N 3Å; R91-V94 PolarHBondContact O-N 3.31Å; V94-N97 PolarHBondContact O-N 2.95Å; V94-A98 PolarHBondContact O-N 3.11Å |
| 95 | N | 87.4 | Confident | 88.4 | Confident | 17 Ų | 17 | 15.7 Ų | 15.7 | 9% | 0.091 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.6 | -42.4 | 175.3 | -71.5 | -1.4 | 0 | 0 | 0 | 110.6 | R91 N97 A98 D99 | R91-N95 WeakPolarHBondContact CD-OD1 3.37Å; R91-N95 WeakPolarHBondContact O-CB 3.39Å; R91-N95 PolarHBondContact O-N 3.41Å; R91-N95 PolarHBondContact O-OD1 3.07Å; N95-N97 VanDerWaalsContact C-N 3.26Å; N95-N97 PolarHBondContact O-N 2.87Å; N95-A98 PolarHBondContact O-N 2.71Å; N95-D99 VanDerWaalsContact O-CB 3.25Å; N95-D99 WeakPolarHBondContact O-CB 3.26Å; N95-D99 VanDerWaalsContact O-CG 3.25Å; N95-D99 PolarHBondContact O-N 3.2Å |
| 96 | S | 91.7 | Very high | 88.6 | Confident | 4 Ų | 4 | 14.7 Ų | 14.7 | 3% | 0.028 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -70.3 | -20 | 178.8 | -171.6 | 0 | 0 | 0 | 0 | 114.6 | D92 V93 H147 | D92-S96 WeakPolarHBondContact O-CB 3.4Å; D92-S96 PolarHBondContact O-N 3.44Å; V93-S96 PolarHBondContact O-N 2.98Å; S96-H147 WeakPolarHBondContact OG-CA 3.45Å; S96-H147 PolarHBondContact OG-CE1 2.92Å; S96-H147 PolarHBondContact OG-ND1 3.05Å; S96-H147 PolarHBondContact OG-O 3.45Å |
| 97 | N | 93.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -76.4 | -52.7 | 168.6 | -178.6 | -29 | 0 | 0 | 0 | 109.3 | H49 T53 V93 V94 N95 D99 V100 G150 H154 Q157 | H49-N97 WeakPolarHBondContact CB-OD1 3.23Å; T53-N97 PolarHBondContact OG1-ND2 2.61Å; V93-N97 WeakPolarHBondContact O-CB 3.37Å; V93-N97 PolarHBondContact O-N 2.8Å; V94-N97 PolarHBondContact O-N 2.95Å; N95-N97 VanDerWaalsContact C-N 3.26Å; N95-N97 PolarHBondContact O-N 2.87Å; N97-D99 PolarHBondContact O-N 3.19Å; N97-V100 WeakPolarHBondContact O-CG2 3.33Å; N97-V100 PolarHBondContact O-N 3.39Å; N97-V100 VanDerWaalsContact O-N 3.14Å; N97-G150 WeakPolarHBondContact CA-O 3.23Å; N97-G150 WeakPolarHBondContact CB-O 3.49Å; N97-H154 PolarHBondContact ND2-N 3.44Å; N97-H154 PolarHBondContact O-ND1 3.04Å; N97-H154 VanDerWaalsContact O-ND1 3.12Å; N97-H154 WeakPolarHBondContact OD1-CA 3.44Å; N97-H154 VanDerWaalsContact OD1-CB 3.28Å; N97-H154 WeakPolarHBondContact OD1-CB 3.33Å; N97-H154 PolarHBondContact OD1-ND1 3.21Å; N97-Q157 PolarHBondContact ND2-OE1 3.43Å |
| 98 | A | 88.3 | Confident | 88.3 | Confident | 5 Ų | 5 | 17.6 Ų | 17.6 | 4% | 0.041 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -54.5 | -40.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | P33 Q50 V94 N95 V100 D101 L102 | P33-A98 HydrophobicContact CB-CB 4.26Å; P33-A98 WeakPolarHBondContact O-CB 3.45Å; Q50-A98 HydrophobicContact CG-CB 4.46Å; V94-A98 PolarHBondContact O-N 3.11Å; N95-A98 PolarHBondContact O-N 2.71Å; A98-V100 PolarHBondContact O-N 3Å; A98-V100 VanDerWaalsContact O-N 3.12Å; A98-D101 PolarHBondContact O-N 3.27Å; A98-L102 HydrophobicContact CB-CD1 4.27Å; A98-L102 VanDerWaalsContact O-CD1 3.31Å; A98-L102 WeakPolarHBondContact O-CD1 3.1Å; A98-L102 VanDerWaalsContact O-CG 3.23Å; A98-L102 WeakPolarHBondContact O-CG 3.46Å |
| 99 | D | 88.5 | Confident | 88.4 | Confident | 15 Ų | 15 | 19.3 Ų | 19.3 | 8% | 0.08 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -57.3 | -24.2 | -179.4 | -90.6 | -4.9 | 0 | 0 | 0 | 113.6 | N95 N97 D101 L102 K103 | N95-D99 VanDerWaalsContact O-CB 3.25Å; N95-D99 WeakPolarHBondContact O-CB 3.26Å; N95-D99 VanDerWaalsContact O-CG 3.25Å; N95-D99 PolarHBondContact O-N 3.2Å; N97-D99 PolarHBondContact O-N 3.19Å; D99-D101 PolarHBondContact O-N 2.8Å; D99-L102 PolarHBondContact O-N 2.84Å; D99-L102 VanDerWaalsContact O-N 3.11Å; D99-K103 HydrophobicContact CB-CD 3.95Å; D99-K103 HydrophobicContact CB-CG 4.15Å; D99-K103 VanDerWaalsContact CG-CE 3.49Å; D99-K103 WeakPolarHBondContact O-CB 3.24Å; D99-K103 PolarHBondContact O-N 3.35Å; D99-K103 WeakPolarHBondContact OD2-CE 3.47Å; D99-K103 IonicContact OD2-NZ 3.56Å; D99-K103 PolarHBondContact OD2-NZ 2.89Å |
| 100 | V | 90.6 | Very high | 88.3 | Confident | 3 Ų | 3 | 19.7 Ų | 19.7 | 2% | 0.018 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -63.8 | -43.6 | -177.4 | -174.3 | 0 | 0 | 0 | 0 | 110.8 | N97 A98 L102 T106 K107 Y112 Q151 H154 | N97-V100 WeakPolarHBondContact O-CG2 3.33Å; N97-V100 PolarHBondContact O-N 3.39Å; N97-V100 VanDerWaalsContact O-N 3.14Å; A98-V100 PolarHBondContact O-N 3Å; A98-V100 VanDerWaalsContact O-N 3.12Å; V100-L102 VanDerWaalsContact C-N 3.28Å; V100-L102 PolarHBondContact O-N 2.84Å; V100-T106 WeakPolarHBondContact CA-OG1 3.46Å; V100-T106 CarbonylContact O-C 2.97Å; V100-T106 WeakPolarHBondContact O-CB 3.34Å; V100-T106 PolarHBondContact O-OG1 2.8Å; V100-K107 WeakPolarHBondContact O-CA 3.4Å; V100-K107 PolarHBondContact O-N 2.9Å; V100-Y112 HydrophobicContact CG1-CD1 4.05Å; V100-Y112 HydrophobicContact CG1-CG 4.41Å; V100-Q151 HydrophobicContact CG2-CG 4.3Å; V100-H154 HydrophobicContact CB-CB 4.09Å; V100-H154 VanDerWaalsContact CB-CD2 3.46Å; V100-H154 WeakPolarHBondContact CB-CD2 3.38Å; V100-H154 HydrophobicContact CG1-CB 4.49Å; V100-H154 WeakPolarHBondContact CG1-CD2 3.3Å; V100-H154 HydrophobicContact CG2-CB 3.76Å |
| 101 | D | 87.8 | Confident | 88.4 | Confident | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -70.3 | -17.3 | 172.9 | -83.6 | -30.3 | 0 | 0 | 0 | 114.8 | P33 A98 D99 K107 H113 H154 N610 H612 | P33-D101 HydrophobicContact CB-CB 3.7Å; P33-D101 WeakPolarHBondContact CB-OD2 3.23Å; P33-D101 WeakPolarHBondContact CD-OD2 3.11Å; P33-D101 HydrophobicContact CG-CB 3.71Å; P33-D101 VanDerWaalsContact CG-OD2 3.22Å; P33-D101 WeakPolarHBondContact CG-OD2 3.42Å; A98-D101 PolarHBondContact O-N 3.27Å; D99-D101 PolarHBondContact O-N 2.8Å; D101-K107 VanDerWaalsContact C-CB 3.46Å; D101-K107 WeakPolarHBondContact O-CB 3.49Å; D101-H113 IonicContact OD1-CE1 3.92Å; D101-H113 PolarHBondContact OD1-CE1 3Å; D101-H113 IonicContact OD1-ND1 2.66Å; D101-H154 VanDerWaalsContact CG-CE1 3.48Å; D101-H154 IonicContact OD1-CE1 2.76Å; D101-H154 IonicContact OD1-NE2 3.27Å; D101-H154 IonicContact OD2-CE1 3.67Å; D101-H154 PolarHBondContact OD2-CE1 3.34Å; D101-N610 PolarHBondContact O-ND2 3.36Å; D101-H612 HydrophobicContact CB-CB 3.83Å; D101-H612 WeakPolarHBondContact OD1-CB 3.45Å; D101-H612 IonicContact OD1-CD2 2.97Å; D101-H612 PolarHBondContact OD1-CD2 3.42Å; D101-H612 IonicContact OD1-CG 3.16Å; D101-H612 IonicContact OD1-ND1 2.64Å; D101-H612 IonicContact OD1-NE2 2.63Å; D101-H612 IonicContact OD2-CG 2.84Å |
| 102 | L | 85.8 | Confident | 88.6 | Confident | 11 Ų | 11 | 21.1 Ų | 21.1 | 6% | 0.058 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | -31 | -161.9 | -59.6 | 174.1 | 0 | 0 | 0 | 112.6 | P33 A98 D99 V100 T608 A616 | P33-L102 HydrophobicContact CB-CD1 4.25Å; P33-L102 HydrophobicContact CB-CG 4.28Å; P33-L102 HydrophobicContact CG-CD2 4.18Å; P33-L102 HydrophobicContact CG-CG 4.44Å; A98-L102 HydrophobicContact CB-CD1 4.27Å; A98-L102 VanDerWaalsContact O-CD1 3.31Å; A98-L102 WeakPolarHBondContact O-CD1 3.1Å; A98-L102 VanDerWaalsContact O-CG 3.23Å; A98-L102 WeakPolarHBondContact O-CG 3.46Å; D99-L102 PolarHBondContact O-N 2.84Å; D99-L102 VanDerWaalsContact O-N 3.11Å; V100-L102 VanDerWaalsContact C-N 3.28Å; V100-L102 PolarHBondContact O-N 2.84Å; L102-T608 HydrophobicContact CD2-CG2 4.11Å; L102-T608 WeakPolarHBondContact CD2-OG1 3.33Å; L102-A616 HydrophobicContact CB-CB 4Å |
| 103 | K | 85.1 | Confident | 88.7 | Confident | 57 Ų | 57 | 19.4 Ų | 19.4 | 25% | 0.248 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -83.3 | 138.3 | -179 | -74.6 | -173 | 165.6 | 165.3 | 0 | 112.4 | D99 A105 T106 K107 E619 | D99-K103 HydrophobicContact CB-CD 3.95Å; D99-K103 HydrophobicContact CB-CG 4.15Å; D99-K103 VanDerWaalsContact CG-CE 3.49Å; D99-K103 WeakPolarHBondContact O-CB 3.24Å; D99-K103 PolarHBondContact O-N 3.35Å; D99-K103 WeakPolarHBondContact OD2-CE 3.47Å; D99-K103 IonicContact OD2-NZ 3.56Å; D99-K103 PolarHBondContact OD2-NZ 2.89Å; K103-A105 PolarHBondContact O-N 2.93Å; K103-A105 VanDerWaalsContact O-N 3.12Å; K103-T106 PolarHBondContact O-N 2.85Å; K103-T106 PolarHBondContact O-OG1 3.46Å; K103-K107 WeakPolarHBondContact O-CB 3.24Å; K103-K107 WeakPolarHBondContact O-CG 3.36Å; K103-K107 PolarHBondContact O-N 2.86Å; K103-E619 WeakPolarHBondContact CE-OE1 3.42Å; K103-E619 IonicContact NZ-OE1 3.36Å; K103-E619 PolarHBondContact NZ-OE1 3.08Å |
| 104 | S | 82.4 | Confident | 88.6 | Confident | 39 Ų | 39 | 19.4 Ų | 19.4 | 27% | 0.273 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -25.4 | 178.9 | -64.6 | 0 | 0 | 0 | 0 | 114.1 | T106 K107 | S104-T106 VanDerWaalsContact C-N 3.31Å; S104-T106 PolarHBondContact O-N 2.9Å; S104-K107 PolarHBondContact OG-NZ 2.94Å |
| 105 | A | 82.6 | Confident | 88.7 | Confident | 26 Ų | 26 | 19.5 Ų | 19.5 | 22% | 0.215 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -19 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | K103 M720 | K103-A105 PolarHBondContact O-N 2.93Å; K103-A105 VanDerWaalsContact O-N 3.12Å; A105-M720 WeakPolarHBondContact CA-O 3.43Å; A105-M720 WeakPolarHBondContact CB-O 3.41Å |
| 106 | T | 88.1 | Confident | 88.9 | Confident | 7 Ų | 7 | 18.9 Ų | 18.9 | 4% | 0.043 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.6 | -40.7 | -167.8 | 49.3 | 0 | 0 | 0 | 0 | 114.4 | V100 K103 S104 D108 N109 Y112 H113 | V100-T106 WeakPolarHBondContact CA-OG1 3.46Å; V100-T106 CarbonylContact O-C 2.97Å; V100-T106 WeakPolarHBondContact O-CB 3.34Å; V100-T106 PolarHBondContact O-OG1 2.8Å; K103-T106 PolarHBondContact O-N 2.85Å; K103-T106 PolarHBondContact O-OG1 3.46Å; S104-T106 VanDerWaalsContact C-N 3.31Å; S104-T106 PolarHBondContact O-N 2.9Å; T106-D108 PolarHBondContact O-N 2.81Å; T106-N109 WeakPolarHBondContact O-CB 3.25Å; T106-N109 PolarHBondContact O-N 2.97Å; T106-Y112 HydrophobicContact CG2-CD1 3.64Å; T106-Y112 HydrophobicContact CG2-CE1 3.49Å; T106-Y112 VanDerWaalsContact CG2-CE1 3.49Å; T106-Y112 HydrophobicContact CG2-CG 4.25Å; T106-H113 PolarHBondContact O-NE2 3.37Å |
| 107 | K | 85.4 | Confident | 89 | Confident | 52 Ų | 52 | 19.7 Ų | 19.7 | 23% | 0.226 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -18.7 | -169.4 | 74.2 | -169.4 | -174.9 | -162 | 0 | 117 | V100 D101 K103 S104 | V100-K107 WeakPolarHBondContact O-CA 3.4Å; V100-K107 PolarHBondContact O-N 2.9Å; D101-K107 VanDerWaalsContact C-CB 3.46Å; D101-K107 WeakPolarHBondContact O-CB 3.49Å; K103-K107 WeakPolarHBondContact O-CB 3.24Å; K103-K107 WeakPolarHBondContact O-CG 3.36Å; K103-K107 PolarHBondContact O-N 2.86Å; S104-K107 PolarHBondContact OG-NZ 2.94Å |
| 108 | D | 83.9 | Confident | 89 | Confident | 47 Ų | 47 | 24 Ų | 24 | 25% | 0.251 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113 | 0.3 | -174.2 | -73 | -47.6 | 0 | 0 | 0 | 111.4 | T106 S224 | T106-D108 PolarHBondContact O-N 2.81Å; D108-S224 WeakPolarHBondContact O-CB 3.28Å; D108-S224 PolarHBondContact O-OG 3.22Å; D108-S224 VanDerWaalsContact OD1-CB 3.23Å; D108-S224 WeakPolarHBondContact OD1-CB 3.17Å |
| 109 | N | 88 | Confident | 89.3 | Confident | 60 Ų | 60 | 23.9 Ų | 23.9 | 32% | 0.321 | 12% | 0.121 | S | C | . | . | trans | -102.7 | 108.9 | -171.9 | -174.3 | -20.5 | 0 | 0 | 0 | 111.6 | T106 V111 Y112 H113 | T106-N109 WeakPolarHBondContact O-CB 3.25Å; T106-N109 PolarHBondContact O-N 2.97Å; N109-V111 PolarHBondContact O-N 3.18Å; N109-V111 WeakPolarHBondContact OD1-CB 3.45Å; N109-V111 PolarHBondContact OD1-N 3.3Å; N109-V111 VanDerWaalsContact OD1-N 3.17Å; N109-Y112 HydrophobicContact CB-CD2 3.94Å; N109-Y112 PolarHBondContact O-N 3.05Å; N109-H113 PolarHBondContact O-CD2 3.06Å | ||
| 110 | P | 90.6 | Very high | 89.5 | Confident | 8 Ų | 8 | 28.5 Ų | 28.5 | 5% | 0.052 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -21.8 | -172.4 | 25.4 | -35.2 | 0 | 0 | 0 | 113.9 | Y112 H113 F114 D115 R118 | P110-Y112 VanDerWaalsContact C-N 3.27Å; P110-Y112 PolarHBondContact O-N 3.45Å; P110-H113 PolarHBondContact O-N 3.1Å; P110-F114 PolarHBondContact O-N 3.07Å; P110-F114 VanDerWaalsContact O-N 3.13Å; P110-D115 HydrophobicContact CB-CB 3.64Å; P110-D115 PolarHBondContact O-N 3.47Å; P110-R118 HydrophobicContact CB-CG 4.42Å; P110-R118 HydrophobicContact CG-CG 4.32Å |
| 111 | V | 92.7 | Very high | 89.6 | Confident | 18 Ų | 18 | 31.8 Ų | 31.8 | 11% | 0.109 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -31.5 | 178.1 | 179.2 | 0 | 0 | 0 | 0 | 111.8 | N109 R118 D121 S122 K125 | N109-V111 PolarHBondContact O-N 3.18Å; N109-V111 WeakPolarHBondContact OD1-CB 3.45Å; N109-V111 PolarHBondContact OD1-N 3.3Å; N109-V111 VanDerWaalsContact OD1-N 3.17Å; V111-R118 HydrophobicContact CG2-CB 4.45Å; V111-D121 HydrophobicContact CG1-CB 4.1Å; V111-D121 HydrophobicContact CG2-CB 4.03Å; V111-S122 WeakPolarHBondContact CA-OG 3.43Å; V111-S122 WeakPolarHBondContact O-CA 3.12Å; V111-S122 VanDerWaalsContact O-CB 3.32Å; V111-S122 WeakPolarHBondContact O-CB 3.36Å; V111-S122 PolarHBondContact O-OG 3.12Å; V111-K125 HydrophobicContact CG1-CB 3.73Å; V111-K125 HydrophobicContact CG1-CG 4.1Å |
| 112 | Y | 92.3 | Very high | 90 | Very high | 32 Ų | 32 | 31.7 Ų | 31.7 | 13% | 0.125 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -24.7 | 178.4 | -75.1 | -109 | 0 | 0 | 0 | 112.6 | V100 T106 N109 P110 F129 A155 | V100-Y112 HydrophobicContact CG1-CD1 4.05Å; V100-Y112 HydrophobicContact CG1-CG 4.41Å; T106-Y112 HydrophobicContact CG2-CD1 3.64Å; T106-Y112 HydrophobicContact CG2-CE1 3.49Å; T106-Y112 VanDerWaalsContact CG2-CE1 3.49Å; T106-Y112 HydrophobicContact CG2-CG 4.25Å; N109-Y112 HydrophobicContact CB-CD2 3.94Å; N109-Y112 PolarHBondContact O-N 3.05Å; P110-Y112 VanDerWaalsContact C-N 3.27Å; P110-Y112 PolarHBondContact O-N 3.45Å; Y112-F129 AromaticContact CD1-CZ 3.98Å; Y112-F129 HydrophobicContact CD1-CZ 3.98Å; Y112-F129 HydrophobicContact CE1-CE1 4.31Å; Y112-F129 AromaticContact CE1-CZ 3.61Å; Y112-F129 HydrophobicContact CE1-CZ 3.61Å; Y112-A155 WeakPolarHBondContact O-CA 3.26Å; Y112-A155 VanDerWaalsContact O-CB 3.27Å; Y112-A155 WeakPolarHBondContact O-CB 3.37Å |
| 113 | H | 92.4 | Very high | 90.4 | Very high | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.019 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 8.8 | -172.5 | -61.3 | -71.9 | 0 | 0 | 0 | 114.5 | D101 T106 N109 P110 D115 H154 D158 H162 | D101-H113 IonicContact OD1-CE1 3.92Å; D101-H113 PolarHBondContact OD1-CE1 3Å; D101-H113 IonicContact OD1-ND1 2.66Å; T106-H113 PolarHBondContact O-NE2 3.37Å; N109-H113 PolarHBondContact O-CD2 3.06Å; P110-H113 PolarHBondContact O-N 3.1Å; H113-D115 PolarHBondContact O-N 2.92Å; H113-D115 VanDerWaalsContact O-N 3.1Å; H113-H154 AromaticContact CE1-CD2 3.93Å; H113-H154 AromaticContact CE1-NE2 3.18Å; H113-H154 PolarHBondContact CE1-NE2 2.7Å; H113-H154 AromaticContact ND1-CD2 3.73Å; H113-H154 AromaticContact ND1-NE2 3.11Å; H113-H154 PolarHBondContact ND1-NE2 3.14Å; H113-H154 VanDerWaalsContact ND1-NE2 3.11Å; H113-D158 VanDerWaalsContact CA-OD2 3.25Å; H113-D158 WeakPolarHBondContact CA-OD2 3.45Å; H113-D158 WeakPolarHBondContact CB-OD2 3.47Å; H113-D158 IonicContact CG-OD2 3.52Å; H113-D158 IonicContact ND1-OD2 3.27Å; H113-D158 PolarHBondContact ND1-OD2 2.9Å; H113-H162 VanDerWaalsContact CB-CE1 3.43Å; H113-H162 WeakPolarHBondContact CB-CE1 3.37Å; H113-H162 AromaticContact ND1-NE2 3.84Å; H113-H162 CovalentContact O-CE1 1.87Å; H113-H162 PolarHBondContact O-CE1 3.08Å; H113-H162 PolarHBondContact O-ND1 3.3Å |
| 114 | F | 93.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 21.5 | -172.4 | -83.3 | -94 | 0 | 0 | 0 | 114.7 | P110 I119 S122 I123 L126 A155 F159 L177 T219 | P110-F114 PolarHBondContact O-N 3.07Å; P110-F114 VanDerWaalsContact O-N 3.13Å; F114-I119 HydrophobicContact CD1-CG2 4.44Å; F114-I119 HydrophobicContact CE1-CG2 4.36Å; F114-S122 VanDerWaalsContact CD1-CB 3.45Å; F114-S122 VanDerWaalsContact CE1-CB 3.42Å; F114-I123 HydrophobicContact CE1-CG1 3.96Å; F114-I123 HydrophobicContact CZ-CG1 4.25Å; F114-L126 HydrophobicContact CE2-CD1 3.85Å; F114-L126 HydrophobicContact CZ-CD1 4Å; F114-A155 HydrophobicContact CD2-CB 4.23Å; F114-A155 WeakPolarHBondContact CD2-O 3.41Å; F114-A155 HydrophobicContact CE2-CB 3.95Å; F114-A155 WeakPolarHBondContact CE2-O 3.48Å; F114-F159 HydrophobicContact CD1-CB 4.14Å; F114-F159 AromaticContact CD1-CD2 3.67Å; F114-F159 HydrophobicContact CD1-CD2 3.67Å; F114-F159 HydrophobicContact CD1-CG 4.39Å; F114-F159 HydrophobicContact CD2-CB 4.08Å; F114-F159 HydrophobicContact CE1-CB 4.34Å; F114-F159 AromaticContact CE1-CD2 3.84Å; F114-F159 HydrophobicContact CE1-CD2 3.84Å; F114-F159 HydrophobicContact CE1-CG 4.48Å; F114-F159 HydrophobicContact CE2-CB 4.29Å; F114-F159 HydrophobicContact CG-CB 3.99Å; F114-F159 HydrophobicContact CG-CD2 4.3Å; F114-F159 HydrophobicContact CZ-CB 4.42Å; F114-L177 HydrophobicContact CE1-CD2 3.85Å; F114-L177 HydrophobicContact CZ-CD2 3.96Å; F114-T219 WeakPolarHBondContact O-CB 3.5Å; F114-T219 WeakPolarHBondContact O-CG2 3.48Å; F114-T219 PolarHBondContact O-OG1 2.89Å |
| 115 | D | 92.3 | Very high | 91.1 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.016 | 16% | 0.162 | C | C | . | . | trans | -82 | 167.8 | -175.7 | -86.8 | -30 | 0 | 0 | 0 | 113.4 | P110 H113 E117 R118 H162 G220 T222 H237 | P110-D115 HydrophobicContact CB-CB 3.64Å; P110-D115 PolarHBondContact O-N 3.47Å; H113-D115 PolarHBondContact O-N 2.92Å; H113-D115 VanDerWaalsContact O-N 3.1Å; D115-E117 PolarHBondContact O-N 3.5Å; D115-E117 VanDerWaalsContact O-N 3.14Å; D115-R118 WeakPolarHBondContact O-CB 3.45Å; D115-R118 PolarHBondContact O-N 3.44Å; D115-R118 VanDerWaalsContact O-N 3.07Å; D115-H162 IonicContact OD1-CE1 3.6Å; D115-H162 IonicContact OD1-ND1 3.3Å; D115-G220 CarbonylContact C-O 3.6Å; D115-G220 WeakPolarHBondContact CA-O 3.27Å; D115-G220 WeakPolarHBondContact CB-O 3.24Å; D115-T222 WeakPolarHBondContact OD2-CG2 3.16Å; D115-H237 IonicContact OD1-CD2 3.63Å | ||
| 116 | S | 91.9 | Very high | 91.7 | Very high | 5 Ų | 5 | 29.6 Ų | 29.6 | 4% | 0.035 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 33.6 | 167 | -52.9 | 0 | 0 | 0 | 0 | 114.4 | R118 T219 G220 Y221 | S116-R118 PolarHBondContact O-N 2.89Å; S116-R118 VanDerWaalsContact O-N 3.12Å; S116-T219 PolarHBondContact N-OG1 3.13Å; S116-G220 PolarHBondContact N-O 3.43Å; S116-Y221 VanDerWaalsContact CB-CD1 3.45Å |
| 117 | E | 93.7 | Very high | 91.8 | Very high | 21 Ų | 21 | 31.1 Ų | 31.1 | 10% | 0.098 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 17.3 | -176.7 | -62.7 | 176.7 | 149.8 | 0 | 0 | 114.8 | D115 I119 V187 T194 T218 T219 Y221 K234 | D115-E117 PolarHBondContact O-N 3.5Å; D115-E117 VanDerWaalsContact O-N 3.14Å; E117-I119 PolarHBondContact O-N 2.74Å; E117-V187 HydrophobicContact CB-CG1 4.16Å; E117-T194 WeakPolarHBondContact OE1-CG2 3.44Å; E117-T218 WeakPolarHBondContact OE1-CB 3.26Å; E117-T218 PolarHBondContact OE1-OG1 2.92Å; E117-T219 WeakPolarHBondContact CA-OG1 3.28Å; E117-T219 PolarHBondContact N-OG1 3.35Å; E117-Y221 HydrophobicContact CB-CE2 4.41Å; E117-Y221 HydrophobicContact CG-CE2 3.84Å; E117-Y221 PolarHBondContact OE2-OH 2.82Å; E117-K234 IonicContact OE1-NZ 2.86Å; E117-K234 PolarHBondContact OE1-NZ 3.41Å; E117-K234 WeakPolarHBondContact OE2-CE 3.43Å; E117-K234 IonicContact OE2-NZ 3.24Å; E117-K234 PolarHBondContact OE2-NZ 3.02Å |
| 118 | R | 93.3 | Very high | 92 | Very high | 91 Ų | 91 | 29.9 Ų | 29.9 | 34% | 0.343 | 15% | 0.152 | S | C | . | . | trans | -75.2 | 30.4 | 176.5 | -59 | -64.6 | -65.5 | -93 | 0.5 | 113.3 | P110 V111 D115 S116 D120 D121 S122 | P110-R118 HydrophobicContact CB-CG 4.42Å; P110-R118 HydrophobicContact CG-CG 4.32Å; V111-R118 HydrophobicContact CG2-CB 4.45Å; D115-R118 WeakPolarHBondContact O-CB 3.45Å; D115-R118 PolarHBondContact O-N 3.44Å; D115-R118 VanDerWaalsContact O-N 3.07Å; S116-R118 PolarHBondContact O-N 2.89Å; S116-R118 VanDerWaalsContact O-N 3.12Å; R118-D120 VanDerWaalsContact C-N 3.34Å; R118-D120 PolarHBondContact O-N 2.65Å; R118-D121 IonicContact CZ-OD2 3.46Å; R118-D121 IonicContact NE-OD2 3.3Å; R118-D121 PolarHBondContact NE-OD2 2.72Å; R118-D121 IonicContact NH2-OD2 3.51Å; R118-D121 PolarHBondContact NH2-OD2 2.91Å; R118-D121 PolarHBondContact O-N 2.72Å; R118-D121 VanDerWaalsContact O-N 3.11Å; R118-S122 PolarHBondContact O-N 2.9Å; R118-S122 PolarHBondContact O-OG 3.5Å | ||
| 119 | I | 94.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.1 | -43.6 | -168.9 | -64.3 | 173.7 | 0 | 0 | 0 | 112 | F114 E117 D121 S122 I123 V187 L217 T219 | F114-I119 HydrophobicContact CD1-CG2 4.44Å; F114-I119 HydrophobicContact CE1-CG2 4.36Å; E117-I119 PolarHBondContact O-N 2.74Å; I119-D121 PolarHBondContact O-N 3.07Å; I119-S122 PolarHBondContact O-N 3.38Å; I119-I123 HydrophobicContact CG2-CD1 3.74Å; I119-I123 HydrophobicContact CG2-CG1 4.37Å; I119-I123 WeakPolarHBondContact O-CB 3.41Å; I119-I123 VanDerWaalsContact O-CG1 3.25Å; I119-I123 WeakPolarHBondContact O-CG1 3.41Å; I119-I123 PolarHBondContact O-N 3.5Å; I119-V187 HydrophobicContact CB-CG2 4.02Å; I119-V187 HydrophobicContact CD1-CG1 4.06Å; I119-V187 HydrophobicContact CD1-CG2 4.06Å; I119-V187 HydrophobicContact CG2-CG2 4.32Å; I119-L217 HydrophobicContact CD1-CB 3.65Å; I119-L217 HydrophobicContact CD1-CD1 4.13Å; I119-L217 HydrophobicContact CD1-CG 4.46Å; I119-L217 HydrophobicContact CG2-CD1 4.45Å; I119-T219 HydrophobicContact CD1-CG2 3.71Å; I119-T219 HydrophobicContact CG1-CG2 3.81Å |
| 120 | D | 92.9 | Very high | 92.6 | Very high | 112 Ų | 112 | 26 Ų | 26 | 60% | 0.599 | 13% | 0.129 | S | C | * | . | H | α-helix | trans | -65.8 | -39.1 | -179.5 | -63.1 | -35.4 | 0 | 0 | 0 | 112 | R118 I123 A124 | R118-D120 VanDerWaalsContact C-N 3.34Å; R118-D120 PolarHBondContact O-N 2.65Å; D120-I123 PolarHBondContact O-N 3.23Å; D120-A124 WeakPolarHBondContact O-CB 3.46Å; D120-A124 PolarHBondContact O-N 3.47Å |
| 121 | D | 93.1 | Very high | 92.4 | Very high | 72 Ų | 72 | 26 Ų | 26 | 39% | 0.385 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -67.4 | -40.4 | 174 | -67.1 | -41.5 | 0 | 0 | 0 | 111.4 | V111 R118 I119 A124 K125 | V111-D121 HydrophobicContact CG1-CB 4.1Å; V111-D121 HydrophobicContact CG2-CB 4.03Å; R118-D121 IonicContact CZ-OD2 3.46Å; R118-D121 IonicContact NE-OD2 3.3Å; R118-D121 PolarHBondContact NE-OD2 2.72Å; R118-D121 IonicContact NH2-OD2 3.51Å; R118-D121 PolarHBondContact NH2-OD2 2.91Å; R118-D121 PolarHBondContact O-N 2.72Å; R118-D121 VanDerWaalsContact O-N 3.11Å; I119-D121 PolarHBondContact O-N 3.07Å; D121-A124 PolarHBondContact O-N 3.28Å; D121-K125 WeakPolarHBondContact O-CB 3.42Å; D121-K125 PolarHBondContact O-N 2.76Å |
| 122 | S | 94.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.7 | -38.3 | 175.5 | -66.4 | 0 | 0 | 0 | 0 | 112.2 | V111 F114 R118 I119 K125 L126 | V111-S122 WeakPolarHBondContact CA-OG 3.43Å; V111-S122 WeakPolarHBondContact O-CA 3.12Å; V111-S122 VanDerWaalsContact O-CB 3.32Å; V111-S122 WeakPolarHBondContact O-CB 3.36Å; V111-S122 PolarHBondContact O-OG 3.12Å; F114-S122 VanDerWaalsContact CD1-CB 3.45Å; F114-S122 VanDerWaalsContact CE1-CB 3.42Å; R118-S122 PolarHBondContact O-N 2.9Å; R118-S122 PolarHBondContact O-OG 3.5Å; I119-S122 PolarHBondContact O-N 3.38Å; S122-K125 PolarHBondContact O-N 2.93Å; S122-L126 WeakPolarHBondContact O-CB 3.44Å; S122-L126 PolarHBondContact O-N 3.45Å |
| 123 | I | 94.1 | Very high | 92.3 | Very high | 5 Ų | 5 | 24.3 Ų | 24.3 | 3% | 0.026 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.8 | -45.9 | 171.9 | -72.3 | 167.3 | 0 | 0 | 0 | 110.5 | F114 I119 D120 K125 L126 R127 L177 | F114-I123 HydrophobicContact CE1-CG1 3.96Å; F114-I123 HydrophobicContact CZ-CG1 4.25Å; I119-I123 HydrophobicContact CG2-CD1 3.74Å; I119-I123 HydrophobicContact CG2-CG1 4.37Å; I119-I123 WeakPolarHBondContact O-CB 3.41Å; I119-I123 VanDerWaalsContact O-CG1 3.25Å; I119-I123 WeakPolarHBondContact O-CG1 3.41Å; I119-I123 PolarHBondContact O-N 3.5Å; D120-I123 PolarHBondContact O-N 3.23Å; I123-K125 VanDerWaalsContact C-N 3.3Å; I123-K125 PolarHBondContact O-N 2.86Å; I123-L126 PolarHBondContact O-N 3.35Å; I123-R127 VanDerWaalsContact CG2-NH2 3.25Å; I123-R127 WeakPolarHBondContact O-CG 3.5Å; I123-R127 PolarHBondContact O-N 3.26Å; I123-L177 HydrophobicContact CD1-CD2 4.06Å; I123-L177 HydrophobicContact CG1-CD2 3.74Å |
| 124 | A | 91.4 | Very high | 92.3 | Very high | 43 Ų | 43 | 24.2 Ų | 24.2 | 36% | 0.355 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -60.8 | -39.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | D120 D121 E128 | D120-A124 WeakPolarHBondContact O-CB 3.46Å; D120-A124 PolarHBondContact O-N 3.47Å; D121-A124 PolarHBondContact O-N 3.28Å; A124-E128 VanDerWaalsContact O-CB 3.28Å; A124-E128 WeakPolarHBondContact O-CB 3.18Å; A124-E128 PolarHBondContact O-N 2.94Å |
| 125 | K | 92.1 | Very high | 92.1 | Very high | 40 Ų | 40 | 25.4 Ų | 25.4 | 17% | 0.174 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68.1 | -38.1 | 175 | -176.8 | 59 | 66.6 | -160.1 | 0 | 112.6 | V111 D121 S122 I123 E128 F129 | V111-K125 HydrophobicContact CG1-CB 3.73Å; V111-K125 HydrophobicContact CG1-CG 4.1Å; D121-K125 WeakPolarHBondContact O-CB 3.42Å; D121-K125 PolarHBondContact O-N 2.76Å; S122-K125 PolarHBondContact O-N 2.93Å; I123-K125 VanDerWaalsContact C-N 3.3Å; I123-K125 PolarHBondContact O-N 2.86Å; K125-E128 IonicContact NZ-OE1 2.99Å; K125-E128 PolarHBondContact NZ-OE1 3.43Å; K125-E128 IonicContact NZ-OE2 3.52Å; K125-E128 PolarHBondContact NZ-OE2 2.93Å; K125-E128 WeakPolarHBondContact O-CB 3.03Å; K125-E128 PolarHBondContact O-N 3.11Å; K125-F129 HydrophobicContact CD-CE1 3.95Å; K125-F129 HydrophobicContact CD-CE2 4.15Å; K125-F129 HydrophobicContact CD-CZ 3.64Å; K125-F129 HydrophobicContact CG-CD2 4.47Å; K125-F129 HydrophobicContact CG-CE1 4.44Å; K125-F129 HydrophobicContact CG-CE2 3.72Å; K125-F129 HydrophobicContact CG-CZ 3.68Å; K125-F129 VanDerWaalsContact O-CD2 3.3Å; K125-F129 WeakPolarHBondContact O-CD2 3.41Å; K125-F129 WeakPolarHBondContact O-CG 3.18Å; K125-F129 PolarHBondContact O-N 3.44Å |
| 126 | L | 93.9 | Very high | 92 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68.5 | -40.3 | 178.5 | -172.3 | 148.2 | 0 | 0 | 0 | 111.6 | F114 S122 I123 F129 W130 L152 A155 L156 L178 | F114-L126 HydrophobicContact CE2-CD1 3.85Å; F114-L126 HydrophobicContact CZ-CD1 4Å; S122-L126 WeakPolarHBondContact O-CB 3.44Å; S122-L126 PolarHBondContact O-N 3.45Å; I123-L126 PolarHBondContact O-N 3.35Å; L126-F129 PolarHBondContact O-N 2.93Å; L126-W130 PolarHBondContact O-N 3.01Å; L126-W130 VanDerWaalsContact O-N 3.13Å; L126-L152 HydrophobicContact CG-CG 4.38Å; L126-A155 HydrophobicContact CD1-CB 4.29Å; L126-L156 HydrophobicContact CD1-CB 3.93Å; L126-L156 HydrophobicContact CD1-CD1 4.19Å; L126-L178 HydrophobicContact CD2-CD1 4.48Å; L126-L178 HydrophobicContact CD2-CD2 3.36Å; L126-L178 HydrophobicContact CD2-CG 3.59Å |
| 127 | R | 90.1 | Very high | 92.1 | Very high | 39 Ų | 39 | 25.3 Ų | 25.3 | 15% | 0.147 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -69.3 | -34.2 | 171.5 | -64.6 | 176.9 | -166.5 | 158.3 | 1.4 | 112.4 | I123 W130 T131 H176 L177 | I123-R127 VanDerWaalsContact CG2-NH2 3.25Å; I123-R127 WeakPolarHBondContact O-CG 3.5Å; I123-R127 PolarHBondContact O-N 3.26Å; R127-W130 VanDerWaalsContact O-CB 3.32Å; R127-W130 WeakPolarHBondContact O-CB 3.3Å; R127-W130 PolarHBondContact O-N 2.97Å; R127-W130 VanDerWaalsContact O-N 3.16Å; R127-T131 PolarHBondContact O-N 3.01Å; R127-T131 PolarHBondContact O-OG1 2.91Å; R127-H176 PolarHBondContact NH2-NE2 2.73Å; R127-H176 PolarHBondContact NH2-O 2.6Å; R127-L177 PolarHBondContact NE-O 3.24Å |
| 128 | E | 89.4 | Confident | 91.9 | Very high | 26 Ų | 26 | 30 Ų | 30 | 12% | 0.121 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.4 | -42.6 | 171.3 | 177.6 | -164.8 | 124.4 | 0 | 0 | 112.2 | A124 K125 W130 T131 R132 Q724 R821 | A124-E128 VanDerWaalsContact O-CB 3.28Å; A124-E128 WeakPolarHBondContact O-CB 3.18Å; A124-E128 PolarHBondContact O-N 2.94Å; K125-E128 IonicContact NZ-OE1 2.99Å; K125-E128 PolarHBondContact NZ-OE1 3.43Å; K125-E128 IonicContact NZ-OE2 3.52Å; K125-E128 PolarHBondContact NZ-OE2 2.93Å; K125-E128 WeakPolarHBondContact O-CB 3.03Å; K125-E128 PolarHBondContact O-N 3.11Å; E128-W130 VanDerWaalsContact C-N 3.34Å; E128-T131 PolarHBondContact O-N 3.47Å; E128-R132 WeakPolarHBondContact O-CG 3.44Å; E128-R132 PolarHBondContact O-N 3.24Å; E128-Q724 PolarHBondContact OE1-NE2 3.22Å; E128-R821 IonicContact OE2-NH1 2.86Å |
| 129 | F | 92.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 0% | 0.004 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.1 | -41.3 | 171.5 | -61.1 | -44 | 0 | 0 | 0 | 111.8 | Y112 K125 L126 T131 R132 I133 Q151 L152 | Y112-F129 AromaticContact CD1-CZ 3.98Å; Y112-F129 HydrophobicContact CD1-CZ 3.98Å; Y112-F129 HydrophobicContact CE1-CE1 4.31Å; Y112-F129 AromaticContact CE1-CZ 3.61Å; Y112-F129 HydrophobicContact CE1-CZ 3.61Å; K125-F129 HydrophobicContact CD-CE1 3.95Å; K125-F129 HydrophobicContact CD-CE2 4.15Å; K125-F129 HydrophobicContact CD-CZ 3.64Å; K125-F129 HydrophobicContact CG-CD2 4.47Å; K125-F129 HydrophobicContact CG-CE1 4.44Å; K125-F129 HydrophobicContact CG-CE2 3.72Å; K125-F129 HydrophobicContact CG-CZ 3.68Å; K125-F129 VanDerWaalsContact O-CD2 3.3Å; K125-F129 WeakPolarHBondContact O-CD2 3.41Å; K125-F129 WeakPolarHBondContact O-CG 3.18Å; K125-F129 PolarHBondContact O-N 3.44Å; L126-F129 PolarHBondContact O-N 2.93Å; F129-T131 PolarHBondContact O-N 2.99Å; F129-R132 PolarHBondContact O-N 3.38Å; F129-I133 VanDerWaalsContact O-CD1 3.29Å; F129-I133 WeakPolarHBondContact O-CD1 3.28Å; F129-I133 WeakPolarHBondContact O-CG1 3.29Å; F129-I133 PolarHBondContact O-N 2.67Å; F129-Q151 HydrophobicContact CD1-CB 4.05Å; F129-Q151 HydrophobicContact CD2-CB 4.14Å; F129-Q151 HydrophobicContact CE1-CB 3.8Å; F129-Q151 HydrophobicContact CE1-CG 4.42Å; F129-Q151 HydrophobicContact CE2-CB 3.88Å; F129-Q151 HydrophobicContact CG-CB 4.24Å; F129-Q151 HydrophobicContact CZ-CB 3.71Å; F129-L152 HydrophobicContact CB-CB 3.87Å; F129-L152 HydrophobicContact CB-CD1 4.15Å; F129-L152 HydrophobicContact CB-CG 4.41Å; F129-L152 HydrophobicContact CD2-CB 4.32Å; F129-L152 HydrophobicContact CG-CB 4.47Å |
| 130 | W | 92 | Very high | 91.4 | Very high | 24 Ų | 24 | 30.3 Ų | 30.3 | 9% | 0.091 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -55.7 | -51.8 | 175.7 | -175.8 | -95.3 | 0 | 0 | 0 | 111.7 | L126 R127 E128 R132 I133 I134 L152 L178 A283 D286 L287 | L126-W130 PolarHBondContact O-N 3.01Å; L126-W130 VanDerWaalsContact O-N 3.13Å; R127-W130 VanDerWaalsContact O-CB 3.32Å; R127-W130 WeakPolarHBondContact O-CB 3.3Å; R127-W130 PolarHBondContact O-N 2.97Å; R127-W130 VanDerWaalsContact O-N 3.16Å; E128-W130 VanDerWaalsContact C-N 3.34Å; W130-R132 VanDerWaalsContact C-N 3.34Å; W130-R132 PolarHBondContact O-N 3.19Å; W130-I133 PolarHBondContact O-N 2.89Å; W130-I133 VanDerWaalsContact O-N 3.14Å; W130-I134 HydrophobicContact CZ2-CD1 4.29Å; W130-I134 WeakPolarHBondContact O-CG1 3.25Å; W130-I134 PolarHBondContact O-N 2.76Å; W130-L152 HydrophobicContact CB-CD1 4.05Å; W130-L152 HydrophobicContact CE3-CD1 3.93Å; W130-L178 HydrophobicContact CB-CD2 4.25Å; W130-L178 HydrophobicContact CD2-CD2 4.25Å; W130-L178 HydrophobicContact CE3-CD2 4Å; W130-L178 HydrophobicContact CG-CD2 4.38Å; W130-A283 HydrophobicContact CZ3-CB 4.45Å; W130-D286 HydrophobicContact CH2-CB 3.84Å; W130-D286 HydrophobicContact CZ2-CB 4.46Å; W130-L287 HydrophobicContact CH2-CB 4.03Å; W130-L287 HydrophobicContact CZ3-CB 4.3Å |
| 131 | T | 87.4 | Confident | 91.2 | Very high | 9 Ų | 9 | 26.3 Ų | 26.3 | 6% | 0.055 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.8 | -45 | 176.3 | -53.5 | 0 | 0 | 0 | 0 | 111.8 | R127 E128 F129 I133 I134 L135 A819 | R127-T131 PolarHBondContact O-N 3.01Å; R127-T131 PolarHBondContact O-OG1 2.91Å; E128-T131 PolarHBondContact O-N 3.47Å; F129-T131 PolarHBondContact O-N 2.99Å; T131-I133 VanDerWaalsContact C-N 3.35Å; T131-I133 PolarHBondContact O-N 3.35Å; T131-I134 PolarHBondContact O-N 3.42Å; T131-L135 HydrophobicContact CG2-CD1 3.87Å; T131-L135 HydrophobicContact CG2-CG 4.28Å; T131-L135 WeakPolarHBondContact O-CB 3.33Å; T131-L135 VanDerWaalsContact O-CG 3.29Å; T131-L135 WeakPolarHBondContact O-CG 3.42Å; T131-L135 PolarHBondContact O-N 2.62Å; T131-A819 HydrophobicContact CG2-CB 4.39Å |
| 132 | R | 90.1 | Very high | 91.1 | Very high | 15 Ų | 15 | 24.7 Ų | 24.7 | 6% | 0.057 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59 | -42.7 | 176.1 | -73.6 | 173.1 | 66.1 | -154.5 | 0.3 | 112.4 | E128 F129 W130 S136 S148 T813 V815 | E128-R132 WeakPolarHBondContact O-CG 3.44Å; E128-R132 PolarHBondContact O-N 3.24Å; F129-R132 PolarHBondContact O-N 3.38Å; W130-R132 VanDerWaalsContact C-N 3.34Å; W130-R132 PolarHBondContact O-N 3.19Å; R132-S136 VanDerWaalsContact O-CB 3.23Å; R132-S136 WeakPolarHBondContact O-CB 3.46Å; R132-S136 PolarHBondContact O-N 2.88Å; R132-S136 PolarHBondContact O-OG 2.86Å; R132-S148 PolarHBondContact NH2-OG 3Å; R132-T813 HydrophobicContact CG-CG2 4.45Å; R132-T813 PolarHBondContact NE-OG1 2.77Å; R132-V815 HydrophobicContact CG-CG2 3.92Å |
| 133 | I | 93.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.2 | -50.2 | 178.4 | -64 | 153.6 | 0 | 0 | 0 | 110.3 | F129 W130 T131 L135 S136 V137 L149 L152 L287 | F129-I133 VanDerWaalsContact O-CD1 3.29Å; F129-I133 WeakPolarHBondContact O-CD1 3.28Å; F129-I133 WeakPolarHBondContact O-CG1 3.29Å; F129-I133 PolarHBondContact O-N 2.67Å; W130-I133 PolarHBondContact O-N 2.89Å; W130-I133 VanDerWaalsContact O-N 3.14Å; T131-I133 VanDerWaalsContact C-N 3.35Å; T131-I133 PolarHBondContact O-N 3.35Å; I133-L135 PolarHBondContact O-N 2.68Å; I133-S136 PolarHBondContact O-N 2.93Å; I133-V137 HydrophobicContact CG2-CG2 4.29Å; I133-V137 WeakPolarHBondContact O-CB 3.19Å; I133-V137 VanDerWaalsContact O-CG2 3.27Å; I133-V137 WeakPolarHBondContact O-CG2 3.48Å; I133-V137 PolarHBondContact O-N 2.81Å; I133-L149 HydrophobicContact CD1-CB 4.12Å; I133-L149 HydrophobicContact CD1-CD1 3.81Å; I133-L149 HydrophobicContact CG1-CB 4.3Å; I133-L152 HydrophobicContact CD1-CB 4.07Å; I133-L152 HydrophobicContact CD1-CD1 3.68Å; I133-L152 HydrophobicContact CD1-CG 4.47Å; I133-L287 HydrophobicContact CG2-CD1 3.74Å; I133-L287 HydrophobicContact CG2-CD2 4.08Å |
| 134 | I | 91.4 | Very high | 90.4 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.8 | -45.6 | -178.3 | -61.3 | -53.4 | 0 | 0 | 0 | 111.5 | W130 T131 R138 L287 T290 V291 | W130-I134 HydrophobicContact CZ2-CD1 4.29Å; W130-I134 WeakPolarHBondContact O-CG1 3.25Å; W130-I134 PolarHBondContact O-N 2.76Å; T131-I134 PolarHBondContact O-N 3.42Å; I134-R138 WeakPolarHBondContact O-CB 3.37Å; I134-R138 WeakPolarHBondContact O-CD 3.36Å; I134-R138 VanDerWaalsContact O-CG 3.24Å; I134-R138 WeakPolarHBondContact O-CG 3.21Å; I134-R138 PolarHBondContact O-N 3.02Å; I134-R138 VanDerWaalsContact O-N 3.08Å; I134-L287 HydrophobicContact CD1-CD1 3.47Å; I134-L287 VanDerWaalsContact CD1-CD1 3.47Å; I134-T290 HydrophobicContact CD1-CG2 3.59Å; I134-T290 HydrophobicContact CG1-CG2 4.22Å; I134-T290 HydrophobicContact CG2-CG2 4.39Å; I134-V291 HydrophobicContact CD1-CG1 3.78Å |
| 135 | L | 89.5 | Confident | 90.5 | Very high | 25 Ų | 25 | 23.8 Ų | 23.8 | 13% | 0.131 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.1 | -47.7 | 176.5 | -71 | 177 | 0 | 0 | 0 | 111.7 | T131 I133 R138 A139 A787 | T131-L135 HydrophobicContact CG2-CD1 3.87Å; T131-L135 HydrophobicContact CG2-CG 4.28Å; T131-L135 WeakPolarHBondContact O-CB 3.33Å; T131-L135 VanDerWaalsContact O-CG 3.29Å; T131-L135 WeakPolarHBondContact O-CG 3.42Å; T131-L135 PolarHBondContact O-N 2.62Å; I133-L135 PolarHBondContact O-N 2.68Å; L135-R138 PolarHBondContact O-N 2.91Å; L135-A139 WeakPolarHBondContact O-CB 3.19Å; L135-A139 PolarHBondContact O-N 2.89Å; L135-A787 HydrophobicContact CD2-CB 4.36Å |
| 136 | S | 91.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.5 | -44.1 | -179.6 | -55.4 | 0 | 0 | 0 | 0 | 112 | R132 I133 R138 A139 K140 E141 | R132-S136 VanDerWaalsContact O-CB 3.23Å; R132-S136 WeakPolarHBondContact O-CB 3.46Å; R132-S136 PolarHBondContact O-N 2.88Å; R132-S136 PolarHBondContact O-OG 2.86Å; I133-S136 PolarHBondContact O-N 2.93Å; S136-R138 VanDerWaalsContact C-N 3.32Å; S136-R138 PolarHBondContact O-N 3.01Å; S136-A139 CarbonylContact O-C 3.51Å; S136-A139 PolarHBondContact O-N 2.55Å; S136-K140 PolarHBondContact O-N 3.16Å; S136-K140 VanDerWaalsContact O-N 3.11Å; S136-E141 PolarHBondContact O-N 2.88Å |
| 137 | V | 92.9 | Very high | 90.5 | Very high | 5 Ų | 5 | 24.1 Ų | 24.1 | 3% | 0.03 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.9 | -38.3 | 177.5 | 171.4 | 0 | 0 | 0 | 0 | 111.8 | I133 K140 Y142 A145 V291 A295 L299 | I133-V137 HydrophobicContact CG2-CG2 4.29Å; I133-V137 WeakPolarHBondContact O-CB 3.19Å; I133-V137 VanDerWaalsContact O-CG2 3.27Å; I133-V137 WeakPolarHBondContact O-CG2 3.48Å; I133-V137 PolarHBondContact O-N 2.81Å; V137-K140 PolarHBondContact O-N 2.97Å; V137-Y142 HydrophobicContact CG1-CE1 4.24Å; V137-A145 HydrophobicContact CG2-CB 3.71Å; V137-V291 HydrophobicContact CB-CG1 4.15Å; V137-V291 HydrophobicContact CG1-CB 3.73Å; V137-V291 HydrophobicContact CG1-CG1 3.68Å; V137-V291 HydrophobicContact CG1-CG2 3.96Å; V137-A295 HydrophobicContact CG1-CB 4.01Å; V137-L299 HydrophobicContact CG2-CD1 4.07Å; V137-L299 HydrophobicContact CG2-CD2 4.12Å |
| 138 | R | 89.1 | Confident | 90.7 | Very high | 120 Ų | 120 | 22.3 Ų | 22.3 | 45% | 0.453 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -68.1 | -34.9 | 175.5 | -73.8 | 170.9 | 173.5 | -169.2 | -6 | 112.3 | I134 L135 S136 K140 K954 A955 G956 | I134-R138 WeakPolarHBondContact O-CB 3.37Å; I134-R138 WeakPolarHBondContact O-CD 3.36Å; I134-R138 VanDerWaalsContact O-CG 3.24Å; I134-R138 WeakPolarHBondContact O-CG 3.21Å; I134-R138 PolarHBondContact O-N 3.02Å; I134-R138 VanDerWaalsContact O-N 3.08Å; L135-R138 PolarHBondContact O-N 2.91Å; S136-R138 VanDerWaalsContact C-N 3.32Å; S136-R138 PolarHBondContact O-N 3.01Å; R138-K140 PolarHBondContact O-N 3.16Å; R138-K954 PolarHBondContact NH1-O 2.95Å; R138-A955 PolarHBondContact NH1-O 2.87Å; R138-A955 VanDerWaalsContact NH1-O 3.08Å; R138-G956 VanDerWaalsContact CZ-CA 3.49Å; R138-G956 VanDerWaalsContact NH1-CA 3.31Å |
| 139 | A | 88.3 | Confident | 91.1 | Very high | 25 Ų | 25 | 21.1 Ų | 21.1 | 21% | 0.207 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 2.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114 | L135 S136 E141 G788 | L135-A139 WeakPolarHBondContact O-CB 3.19Å; L135-A139 PolarHBondContact O-N 2.89Å; S136-A139 CarbonylContact O-C 3.51Å; S136-A139 PolarHBondContact O-N 2.55Å; A139-E141 HydrophobicContact CB-CG 3.95Å; A139-E141 PolarHBondContact O-N 2.74Å; A139-G788 WeakPolarHBondContact CB-O 3.41Å |
| 140 | K | 89 | Confident | 91.2 | Very high | 74 Ų | 74 | 21 Ų | 21 | 32% | 0.322 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 12.2 | -170.5 | -52.4 | -173.9 | -174.8 | -171.9 | 0 | 115.6 | S136 V137 R138 Y142 E361 D363 | S136-K140 PolarHBondContact O-N 3.16Å; S136-K140 VanDerWaalsContact O-N 3.11Å; V137-K140 PolarHBondContact O-N 2.97Å; R138-K140 PolarHBondContact O-N 3.16Å; K140-Y142 HydrophobicContact CB-CE2 4.1Å; K140-Y142 WeakPolarHBondContact O-CD2 3.33Å; K140-Y142 PolarHBondContact O-N 2.9Å; K140-E361 WeakPolarHBondContact CD-OE1 3.13Å; K140-E361 WeakPolarHBondContact CE-OE1 3.48Å; K140-E361 IonicContact NZ-OE1 3.36Å; K140-E361 PolarHBondContact NZ-OE1 3.42Å; K140-D363 IonicContact NZ-OD2 2.69Å; K140-D363 PolarHBondContact NZ-OD2 3.33Å |
| 141 | E | 88.6 | Confident | 91.4 | Very high | 27 Ų | 27 | 20.3 Ų | 20.3 | 13% | 0.126 | 10% | 0.097 | C | C | . | . | trans | -77.2 | 63.7 | 179 | -60.7 | -62.8 | 174 | 0 | 0 | 111.9 | S136 A139 A143 G144 A145 R397 | S136-E141 PolarHBondContact O-N 2.88Å; A139-E141 HydrophobicContact CB-CG 3.95Å; A139-E141 PolarHBondContact O-N 2.74Å; E141-A143 PolarHBondContact O-N 3.44Å; E141-A143 VanDerWaalsContact O-N 3.16Å; E141-G144 PolarHBondContact O-N 3Å; E141-A145 PolarHBondContact O-N 2.97Å; E141-R397 IonicContact OE1-CZ 3.26Å; E141-R397 IonicContact OE1-NH1 3.33Å; E141-R397 PolarHBondContact OE1-NH1 3.38Å | ||
| 142 | Y | 90.9 | Very high | 91.9 | Very high | 38 Ų | 38 | 19.9 Ų | 19.9 | 15% | 0.149 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.7 | -20.8 | -171.3 | -58.5 | -57.9 | 0 | 0 | 0 | 114.1 | V137 K140 R146 K298 L299 | V137-Y142 HydrophobicContact CG1-CE1 4.24Å; K140-Y142 HydrophobicContact CB-CE2 4.1Å; K140-Y142 WeakPolarHBondContact O-CD2 3.33Å; K140-Y142 PolarHBondContact O-N 2.9Å; Y142-R146 WeakPolarHBondContact O-CB 3.33Å; Y142-R146 VanDerWaalsContact O-CG 3.29Å; Y142-R146 WeakPolarHBondContact O-CG 3.26Å; Y142-R146 PolarHBondContact O-N 2.88Å; Y142-R146 VanDerWaalsContact O-N 3.12Å; Y142-R146 PolarHBondContact O-NE 2.57Å; Y142-K298 HydrophobicContact CE1-CB 4.1Å; Y142-K298 HydrophobicContact CE2-CB 4Å; Y142-K298 HydrophobicContact CE2-CD 4.33Å; Y142-K298 WeakPolarHBondContact OH-CB 3.28Å; Y142-K298 WeakPolarHBondContact OH-CD 3.37Å; Y142-L299 HydrophobicContact CD1-CB 4.06Å; Y142-L299 HydrophobicContact CD1-CD1 4.09Å; Y142-L299 HydrophobicContact CE1-CB 4.49Å |
| 143 | A | 87.4 | Confident | 92.3 | Very high | 29 Ų | 29 | 19.2 Ų | 19.2 | 24% | 0.24 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -69.9 | -54.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | E141 A145 R146 H147 | E141-A143 PolarHBondContact O-N 3.44Å; E141-A143 VanDerWaalsContact O-N 3.16Å; A143-A145 VanDerWaalsContact C-N 3.27Å; A143-A145 PolarHBondContact O-N 3.37Å; A143-R146 PolarHBondContact O-N 3.26Å; A143-R146 VanDerWaalsContact O-N 3.17Å; A143-H147 PolarHBondContact O-N 2.91Å |
| 144 | G | 87.9 | Confident | 92.4 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.6 | -34.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | E141 S148 | E141-G144 PolarHBondContact O-N 3Å; G144-S148 WeakPolarHBondContact O-CB 3.49Å; G144-S148 PolarHBondContact O-N 3.09Å; G144-S148 PolarHBondContact O-OG 2.87Å |
| 145 | A | 93.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.3 | -47.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V137 E141 A143 S148 L149 L299 | V137-A145 HydrophobicContact CG2-CB 3.71Å; E141-A145 PolarHBondContact O-N 2.97Å; A143-A145 VanDerWaalsContact C-N 3.27Å; A143-A145 PolarHBondContact O-N 3.37Å; A145-S148 PolarHBondContact O-N 3.49Å; A145-L149 VanDerWaalsContact O-CB 3.28Å; A145-L149 WeakPolarHBondContact O-CB 3.47Å; A145-L149 PolarHBondContact O-N 3.35Å; A145-L299 HydrophobicContact CB-CD1 3.54Å |
| 146 | R | 95.2 | Very high | 93 | Very high | 12 Ų | 12 | 18.2 Ų | 18.2 | 5% | 0.045 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64 | -40.2 | 178.3 | -78.8 | 175.2 | -73.1 | 166.9 | 4.5 | 112.4 | D92 V93 Y142 A143 L149 G150 L299 | D92-R146 HydrophobicContact CB-CB 4.31Å; D92-R146 IonicContact OD2-CZ 3.71Å; D92-R146 VanDerWaalsContact OD2-CZ 3.27Å; D92-R146 IonicContact OD2-NE 2.85Å; D92-R146 IonicContact OD2-NH1 3.39Å; D92-R146 PolarHBondContact OD2-NH1 2.91Å; D92-R146 IonicContact OD2-NH2 3.11Å; V93-R146 HydrophobicContact CG2-CB 3.64Å; V93-R146 HydrophobicContact CG2-CG 3.64Å; Y142-R146 WeakPolarHBondContact O-CB 3.33Å; Y142-R146 VanDerWaalsContact O-CG 3.29Å; Y142-R146 WeakPolarHBondContact O-CG 3.26Å; Y142-R146 PolarHBondContact O-N 2.88Å; Y142-R146 VanDerWaalsContact O-N 3.12Å; Y142-R146 PolarHBondContact O-NE 2.57Å; A143-R146 PolarHBondContact O-N 3.26Å; A143-R146 VanDerWaalsContact O-N 3.17Å; R146-L149 PolarHBondContact O-N 3.48Å; R146-G150 PolarHBondContact O-N 2.91Å; R146-L299 WeakPolarHBondContact CD-O 3.47Å; R146-L299 HydrophobicContact CG-CD1 3.79Å; R146-L299 HydrophobicContact CG-CG 4.47Å |
| 147 | H | 91.1 | Very high | 93.3 | Very high | 35 Ų | 35 | 18.2 Ų | 18.2 | 16% | 0.162 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.7 | -51.6 | 174 | -175 | 53.1 | 0 | 0 | 0 | 111.3 | S96 A143 L149 G150 Q151 | S96-H147 WeakPolarHBondContact OG-CA 3.45Å; S96-H147 PolarHBondContact OG-CE1 2.92Å; S96-H147 PolarHBondContact OG-ND1 3.05Å; S96-H147 PolarHBondContact OG-O 3.45Å; A143-H147 PolarHBondContact O-N 2.91Å; H147-L149 VanDerWaalsContact C-N 3.26Å; H147-L149 PolarHBondContact O-N 3.14Å; H147-G150 PolarHBondContact O-N 2.87Å; H147-G150 VanDerWaalsContact O-N 3.16Å; H147-Q151 PolarHBondContact O-N 2.7Å |
| 148 | S | 93.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.9 | -33.3 | 178 | -54 | 0 | 0 | 0 | 0 | 112.7 | R132 G144 A145 Q151 L152 | R132-S148 PolarHBondContact NH2-OG 3Å; G144-S148 WeakPolarHBondContact O-CB 3.49Å; G144-S148 PolarHBondContact O-N 3.09Å; G144-S148 PolarHBondContact O-OG 2.87Å; A145-S148 PolarHBondContact O-N 3.49Å; S148-Q151 PolarHBondContact O-N 3.22Å; S148-L152 PolarHBondContact O-N 2.95Å |
| 149 | L | 97.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 12.3 Ų | 12.3 | 1% | 0.005 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -68.6 | -38 | 176.5 | -171.2 | 68.1 | 0 | 0 | 0 | 112.6 | V93 I133 A145 R146 H147 L152 F153 L284 L287 L299 F300 | V93-L149 HydrophobicContact CG1-CB 4.31Å; V93-L149 HydrophobicContact CG1-CD2 4.17Å; V93-L149 HydrophobicContact CG1-CG 4.15Å; V93-L149 HydrophobicContact CG2-CD2 4.25Å; I133-L149 HydrophobicContact CD1-CB 4.12Å; I133-L149 HydrophobicContact CD1-CD1 3.81Å; I133-L149 HydrophobicContact CG1-CB 4.3Å; A145-L149 VanDerWaalsContact O-CB 3.28Å; A145-L149 WeakPolarHBondContact O-CB 3.47Å; A145-L149 PolarHBondContact O-N 3.35Å; R146-L149 PolarHBondContact O-N 3.48Å; H147-L149 VanDerWaalsContact C-N 3.26Å; H147-L149 PolarHBondContact O-N 3.14Å; L149-L152 PolarHBondContact O-N 2.73Å; L149-F153 HydrophobicContact CD1-CD1 4.36Å; L149-F153 HydrophobicContact CD1-CE1 3.64Å; L149-F153 HydrophobicContact CD1-CE2 4.03Å; L149-F153 HydrophobicContact CD1-CZ 3.43Å; L149-F153 VanDerWaalsContact CD1-CZ 3.43Å; L149-F153 HydrophobicContact CD2-CE2 3.82Å; L149-F153 HydrophobicContact CD2-CZ 3.81Å; L149-F153 HydrophobicContact CG-CD2 4.15Å; L149-F153 HydrophobicContact CG-CE1 4.11Å; L149-F153 HydrophobicContact CG-CE2 3.57Å; L149-F153 HydrophobicContact CG-CZ 3.52Å; L149-F153 VanDerWaalsContact O-CG 3.3Å; L149-F153 WeakPolarHBondContact O-CG 3.19Å; L149-F153 PolarHBondContact O-N 2.87Å; L149-L284 HydrophobicContact CD2-CD2 4.33Å; L149-L287 HydrophobicContact CD1-CD2 4.1Å; L149-L287 HydrophobicContact CD2-CD2 4.43Å; L149-L299 HydrophobicContact CD2-CD2 4.41Å; L149-F300 HydrophobicContact CD2-CE1 4.11Å; L149-F300 HydrophobicContact CD2-CZ 3.64Å |
| 150 | G | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -62.4 | -44.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V93 N97 R146 H147 L152 F153 H154 | V93-G150 WeakPolarHBondContact O-CA 3.32Å; N97-G150 WeakPolarHBondContact CA-O 3.23Å; N97-G150 WeakPolarHBondContact CB-O 3.49Å; R146-G150 PolarHBondContact O-N 2.91Å; H147-G150 PolarHBondContact O-N 2.87Å; H147-G150 VanDerWaalsContact O-N 3.16Å; G150-L152 PolarHBondContact O-N 3.39Å; G150-F153 PolarHBondContact O-N 2.99Å; G150-H154 PolarHBondContact O-N 2.7Å |
| 151 | Q | 95.5 | Very high | 94.6 | Very high | 9 Ų | 9 | 7.7 Ų | 7.7 | 4% | 0.042 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -60.7 | -42.6 | 175 | -62.7 | -176.1 | -47.9 | 0 | 0 | 112.3 | V100 F129 H147 S148 A155 | V100-Q151 HydrophobicContact CG2-CG 4.3Å; F129-Q151 HydrophobicContact CD1-CB 4.05Å; F129-Q151 HydrophobicContact CD2-CB 4.14Å; F129-Q151 HydrophobicContact CE1-CB 3.8Å; F129-Q151 HydrophobicContact CE1-CG 4.42Å; F129-Q151 HydrophobicContact CE2-CB 3.88Å; F129-Q151 HydrophobicContact CG-CB 4.24Å; F129-Q151 HydrophobicContact CZ-CB 3.71Å; H147-Q151 PolarHBondContact O-N 2.7Å; S148-Q151 PolarHBondContact O-N 3.22Å; Q151-A155 PolarHBondContact O-N 2.75Å |
| 152 | L | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -62.4 | -46 | 175.9 | -174.7 | 150.5 | 0 | 0 | 0 | 112.1 | L126 F129 W130 I133 S148 L149 G150 L156 L178 A283 | L126-L152 HydrophobicContact CG-CG 4.38Å; F129-L152 HydrophobicContact CB-CB 3.87Å; F129-L152 HydrophobicContact CB-CD1 4.15Å; F129-L152 HydrophobicContact CB-CG 4.41Å; F129-L152 HydrophobicContact CD2-CB 4.32Å; F129-L152 HydrophobicContact CG-CB 4.47Å; W130-L152 HydrophobicContact CB-CD1 4.05Å; W130-L152 HydrophobicContact CE3-CD1 3.93Å; I133-L152 HydrophobicContact CD1-CB 4.07Å; I133-L152 HydrophobicContact CD1-CD1 3.68Å; I133-L152 HydrophobicContact CD1-CG 4.47Å; S148-L152 PolarHBondContact O-N 2.95Å; L149-L152 PolarHBondContact O-N 2.73Å; G150-L152 PolarHBondContact O-N 3.39Å; L152-L156 HydrophobicContact CD2-CD2 4.18Å; L152-L156 WeakPolarHBondContact O-CB 3.37Å; L152-L156 PolarHBondContact O-N 2.89Å; L152-L178 HydrophobicContact CD1-CD2 4.48Å; L152-A283 HydrophobicContact CD2-CB 4.41Å |
| 153 | F | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -66.2 | -38 | -179.1 | -70.1 | -19.7 | 0 | 0 | 0 | 113 | T53 I57 V93 L149 G150 L156 Q157 T280 A283 L284 | T53-F153 HydrophobicContact CG2-CD2 3.66Å; T53-F153 HydrophobicContact CG2-CE2 4.09Å; I57-F153 HydrophobicContact CD1-CE2 4.45Å; I57-F153 HydrophobicContact CG1-CE2 4.41Å; V93-F153 HydrophobicContact CG1-CD2 3.86Å; V93-F153 HydrophobicContact CG1-CE2 3.91Å; L149-F153 HydrophobicContact CD1-CD1 4.36Å; L149-F153 HydrophobicContact CD1-CE1 3.64Å; L149-F153 HydrophobicContact CD1-CE2 4.03Å; L149-F153 HydrophobicContact CD1-CZ 3.43Å; L149-F153 VanDerWaalsContact CD1-CZ 3.43Å; L149-F153 HydrophobicContact CD2-CE2 3.82Å; L149-F153 HydrophobicContact CD2-CZ 3.81Å; L149-F153 HydrophobicContact CG-CD2 4.15Å; L149-F153 HydrophobicContact CG-CE1 4.11Å; L149-F153 HydrophobicContact CG-CE2 3.57Å; L149-F153 HydrophobicContact CG-CZ 3.52Å; L149-F153 VanDerWaalsContact O-CG 3.3Å; L149-F153 WeakPolarHBondContact O-CG 3.19Å; L149-F153 PolarHBondContact O-N 2.87Å; G150-F153 PolarHBondContact O-N 2.99Å; F153-L156 PolarHBondContact O-N 3.13Å; F153-Q157 VanDerWaalsContact O-CB 3.26Å; F153-Q157 WeakPolarHBondContact O-CB 3.34Å; F153-Q157 WeakPolarHBondContact O-CG 3.37Å; F153-Q157 PolarHBondContact O-N 3.01Å; F153-Q157 PolarHBondContact O-OE1 3.14Å; F153-T280 HydrophobicContact CD1-CG2 3.78Å; F153-T280 HydrophobicContact CD2-CG2 4.14Å; F153-T280 HydrophobicContact CE1-CG2 3.89Å; F153-T280 HydrophobicContact CE2-CG2 4.21Å; F153-T280 HydrophobicContact CG-CG2 3.93Å; F153-T280 HydrophobicContact CZ-CG2 4.11Å; F153-A283 HydrophobicContact CE1-CB 4.33Å; F153-L284 HydrophobicContact CE1-CG 4.27Å; F153-L284 HydrophobicContact CE2-CD2 4.41Å; F153-L284 HydrophobicContact CE2-CG 4.49Å; F153-L284 HydrophobicContact CZ-CD1 4.08Å; F153-L284 HydrophobicContact CZ-CD2 3.67Å; F153-L284 HydrophobicContact CZ-CG 3.6Å |
| 154 | H | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 3.4 Ų | 3.4 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -57.1 | -61 | 175.1 | -168.7 | 83.9 | 0 | 0 | 0 | 111 | N97 V100 D101 H113 G150 L156 Q157 D158 | N97-H154 PolarHBondContact ND2-N 3.44Å; N97-H154 PolarHBondContact O-ND1 3.04Å; N97-H154 VanDerWaalsContact O-ND1 3.12Å; N97-H154 WeakPolarHBondContact OD1-CA 3.44Å; N97-H154 VanDerWaalsContact OD1-CB 3.28Å; N97-H154 WeakPolarHBondContact OD1-CB 3.33Å; N97-H154 PolarHBondContact OD1-ND1 3.21Å; V100-H154 HydrophobicContact CB-CB 4.09Å; V100-H154 VanDerWaalsContact CB-CD2 3.46Å; V100-H154 WeakPolarHBondContact CB-CD2 3.38Å; V100-H154 HydrophobicContact CG1-CB 4.49Å; V100-H154 WeakPolarHBondContact CG1-CD2 3.3Å; V100-H154 HydrophobicContact CG2-CB 3.76Å; D101-H154 VanDerWaalsContact CG-CE1 3.48Å; D101-H154 IonicContact OD1-CE1 2.76Å; D101-H154 IonicContact OD1-NE2 3.27Å; D101-H154 IonicContact OD2-CE1 3.67Å; D101-H154 PolarHBondContact OD2-CE1 3.34Å; H113-H154 AromaticContact CE1-CD2 3.93Å; H113-H154 AromaticContact CE1-NE2 3.18Å; H113-H154 PolarHBondContact CE1-NE2 2.7Å; H113-H154 AromaticContact ND1-CD2 3.73Å; H113-H154 AromaticContact ND1-NE2 3.11Å; H113-H154 PolarHBondContact ND1-NE2 3.14Å; H113-H154 VanDerWaalsContact ND1-NE2 3.11Å; G150-H154 PolarHBondContact O-N 2.7Å; H154-L156 VanDerWaalsContact C-N 3.29Å; H154-L156 PolarHBondContact O-N 3.15Å; H154-Q157 WeakPolarHBondContact O-CA 3.33Å; H154-Q157 WeakPolarHBondContact O-CB 3.33Å; H154-Q157 PolarHBondContact O-N 3.24Å; H154-D158 IonicContact CD2-OD2 2.66Å; H154-D158 PolarHBondContact CD2-OD2 2.91Å; H154-D158 IonicContact NE2-OD1 3.85Å; H154-D158 IonicContact NE2-OD2 3.87Å; H154-D158 PolarHBondContact NE2-OD2 3.23Å; H154-D158 PolarHBondContact O-N 2.89Å |
| 155 | A | 96.6 | Very high | 96 | Very high | 3 Ų | 3 | 4 Ų | 4 | 3% | 0.025 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -58.7 | -39.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y112 F114 L126 Q151 Q157 D158 F159 | Y112-A155 WeakPolarHBondContact O-CA 3.26Å; Y112-A155 VanDerWaalsContact O-CB 3.27Å; Y112-A155 WeakPolarHBondContact O-CB 3.37Å; F114-A155 HydrophobicContact CD2-CB 4.23Å; F114-A155 WeakPolarHBondContact CD2-O 3.41Å; F114-A155 HydrophobicContact CE2-CB 3.95Å; F114-A155 WeakPolarHBondContact CE2-O 3.48Å; L126-A155 HydrophobicContact CD1-CB 4.29Å; Q151-A155 PolarHBondContact O-N 2.75Å; A155-Q157 VanDerWaalsContact C-N 3.28Å; A155-Q157 PolarHBondContact O-N 2.9Å; A155-D158 PolarHBondContact O-N 2.86Å; A155-F159 PolarHBondContact O-N 3.16Å |
| 156 | L | 97.4 | Very high | 96.1 | Very high | 4 Ų | 4 | 4.3 Ų | 4.3 | 2% | 0.021 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -64.9 | -31.2 | 176.5 | -176.3 | 59.7 | 0 | 0 | 0 | 113 | L126 L152 F153 H154 Y160 L177 A279 A283 | L126-L156 HydrophobicContact CD1-CB 3.93Å; L126-L156 HydrophobicContact CD1-CD1 4.19Å; L152-L156 HydrophobicContact CD2-CD2 4.18Å; L152-L156 WeakPolarHBondContact O-CB 3.37Å; L152-L156 PolarHBondContact O-N 2.89Å; F153-L156 PolarHBondContact O-N 3.13Å; H154-L156 VanDerWaalsContact C-N 3.29Å; H154-L156 PolarHBondContact O-N 3.15Å; L156-Y160 VanDerWaalsContact O-CD2 3.26Å; L156-Y160 WeakPolarHBondContact O-CD2 3.35Å; L156-Y160 WeakPolarHBondContact O-CE2 3.38Å; L156-L177 HydrophobicContact CD1-CD1 3.77Å; L156-A279 HydrophobicContact CD1-CB 4.11Å; L156-A279 HydrophobicContact CD2-CB 4.07Å; L156-A279 HydrophobicContact CG-CB 4.02Å; L156-A283 HydrophobicContact CD2-CB 4.06Å |
| 157 | Q | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -78.5 | -45.2 | 177.4 | -72.6 | 156.5 | 12.4 | 0 | 0 | 110.2 | F31 H49 I52 T53 N97 F153 H154 A155 F159 Y160 A276 T280 | F31-Q157 HydrophobicContact CD1-CB 4.33Å; F31-Q157 HydrophobicContact CE1-CB 3.88Å; F31-Q157 HydrophobicContact CE1-CG 4.37Å; H49-Q157 WeakPolarHBondContact ND1-CB 3.46Å; H49-Q157 PolarHBondContact ND1-OE1 2.75Å; I52-Q157 HydrophobicContact CG2-CG 4.4Å; T53-Q157 PolarHBondContact OG1-NE2 2.94Å; N97-Q157 PolarHBondContact ND2-OE1 3.43Å; F153-Q157 VanDerWaalsContact O-CB 3.26Å; F153-Q157 WeakPolarHBondContact O-CB 3.34Å; F153-Q157 WeakPolarHBondContact O-CG 3.37Å; F153-Q157 PolarHBondContact O-N 3.01Å; F153-Q157 PolarHBondContact O-OE1 3.14Å; H154-Q157 WeakPolarHBondContact O-CA 3.33Å; H154-Q157 WeakPolarHBondContact O-CB 3.33Å; H154-Q157 PolarHBondContact O-N 3.24Å; A155-Q157 VanDerWaalsContact C-N 3.28Å; A155-Q157 PolarHBondContact O-N 2.9Å; Q157-F159 VanDerWaalsContact C-N 3.29Å; Q157-F159 PolarHBondContact O-N 3.38Å; Q157-Y160 PolarHBondContact O-N 3.11Å; Q157-A276 HydrophobicContact CB-CB 4.22Å; Q157-A276 HydrophobicContact CG-CB 4.01Å; Q157-T280 PolarHBondContact NE2-OG1 2.92Å |
| 158 | D | 95.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -57 | -36.1 | 178.4 | -79.5 | 11.9 | 0 | 0 | 0 | 113.7 | H49 H113 H154 A155 Y160 S161 H162 | H49-D158 IonicContact CE1-OD1 2.71Å; H49-D158 PolarHBondContact CE1-OD1 2.89Å; H49-D158 IonicContact NE2-OD1 3.31Å; H113-D158 VanDerWaalsContact CA-OD2 3.25Å; H113-D158 WeakPolarHBondContact CA-OD2 3.45Å; H113-D158 WeakPolarHBondContact CB-OD2 3.47Å; H113-D158 IonicContact CG-OD2 3.52Å; H113-D158 IonicContact ND1-OD2 3.27Å; H113-D158 PolarHBondContact ND1-OD2 2.9Å; H154-D158 IonicContact CD2-OD2 2.66Å; H154-D158 PolarHBondContact CD2-OD2 2.91Å; H154-D158 IonicContact NE2-OD1 3.85Å; H154-D158 IonicContact NE2-OD2 3.87Å; H154-D158 PolarHBondContact NE2-OD2 3.23Å; H154-D158 PolarHBondContact O-N 2.89Å; A155-D158 PolarHBondContact O-N 2.86Å; D158-Y160 PolarHBondContact O-N 2.84Å; D158-Y160 VanDerWaalsContact O-N 3.11Å; D158-S161 WeakPolarHBondContact CA-OG 3.17Å; D158-S161 PolarHBondContact O-N 2.81Å; D158-S161 VanDerWaalsContact O-N 3.13Å; D158-S161 PolarHBondContact O-OG 3.48Å; D158-S161 VanDerWaalsContact O-OG 3.14Å; D158-H162 WeakPolarHBondContact O-CB 3.12Å; D158-H162 PolarHBondContact O-N 3.36Å; D158-H162 IonicContact OD1-NE2 2.75Å; D158-H162 PolarHBondContact OD1-NE2 3.19Å; D158-H162 IonicContact OD2-CE1 3.74Å; D158-H162 IonicContact OD2-ND1 3.85Å; D158-H162 IonicContact OD2-NE2 3.84Å; D158-H162 PolarHBondContact OD2-NE2 3.48Å |
| 159 | F | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -51.5 | -38.6 | 173.8 | 174.1 | -94.7 | 0 | 0 | 0 | 112.5 | F114 A155 Q157 S163 W165 Y174 L177 L217 | F114-F159 HydrophobicContact CD1-CB 4.14Å; F114-F159 AromaticContact CD1-CD2 3.67Å; F114-F159 HydrophobicContact CD1-CD2 3.67Å; F114-F159 HydrophobicContact CD1-CG 4.39Å; F114-F159 HydrophobicContact CD2-CB 4.08Å; F114-F159 HydrophobicContact CE1-CB 4.34Å; F114-F159 AromaticContact CE1-CD2 3.84Å; F114-F159 HydrophobicContact CE1-CD2 3.84Å; F114-F159 HydrophobicContact CE1-CG 4.48Å; F114-F159 HydrophobicContact CE2-CB 4.29Å; F114-F159 HydrophobicContact CG-CB 3.99Å; F114-F159 HydrophobicContact CG-CD2 4.3Å; F114-F159 HydrophobicContact CZ-CB 4.42Å; A155-F159 PolarHBondContact O-N 3.16Å; Q157-F159 VanDerWaalsContact C-N 3.29Å; Q157-F159 PolarHBondContact O-N 3.38Å; F159-S163 WeakPolarHBondContact O-CB 3.35Å; F159-S163 PolarHBondContact O-N 2.69Å; F159-S163 PolarHBondContact O-OG 2.97Å; F159-W165 HydrophobicContact CE1-CB 3.92Å; F159-W165 AromaticContact CE1-CD2 3.97Å; F159-W165 HydrophobicContact CE1-CD2 3.97Å; F159-W165 HydrophobicContact CE1-CE3 4.19Å; F159-W165 AromaticContact CE1-CG 3.85Å; F159-W165 HydrophobicContact CE1-CG 3.85Å; F159-W165 HydrophobicContact CZ-CB 4.14Å; F159-W165 HydrophobicContact CZ-CD2 4.14Å; F159-W165 AromaticContact CZ-CE3 3.89Å; F159-W165 HydrophobicContact CZ-CE3 3.89Å; F159-W165 HydrophobicContact CZ-CG 4.27Å; F159-Y174 AromaticContact CE1-CD1 3.87Å; F159-Y174 HydrophobicContact CE1-CD1 3.87Å; F159-Y174 HydrophobicContact CE1-CG 4.29Å; F159-Y174 AromaticContact CE2-CD1 3.87Å; F159-Y174 HydrophobicContact CE2-CD1 3.87Å; F159-Y174 HydrophobicContact CE2-CE1 4.27Å; F159-Y174 AromaticContact CZ-CD1 3.35Å; F159-Y174 HydrophobicContact CZ-CD1 3.35Å; F159-Y174 HydrophobicContact CZ-CE1 4.07Å; F159-Y174 HydrophobicContact CZ-CG 4.1Å; F159-L177 HydrophobicContact CB-CD1 4.19Å; F159-L177 HydrophobicContact CD1-CD1 3.68Å; F159-L177 HydrophobicContact CD2-CD1 4.41Å; F159-L177 HydrophobicContact CD2-CD2 3.89Å; F159-L177 HydrophobicContact CE1-CD1 4.19Å; F159-L177 HydrophobicContact CE2-CD2 4.12Å; F159-L177 HydrophobicContact CG-CD1 3.8Å; F159-L177 HydrophobicContact CG-CD2 4.11Å; F159-L217 HydrophobicContact CE2-CD1 4.44Å; F159-L217 HydrophobicContact CZ-CD2 4.47Å |
| 160 | Y | 97.7 | Very high | 95.9 | Very high | 2 Ų | 2 | 9.5 Ų | 9.5 | 1% | 0.008 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -82.7 | -27.6 | -178.3 | -63.3 | -80.3 | 0 | 0 | 0 | 113.2 | L156 Q157 D158 W165 I173 Y174 K255 A272 L275 A276 A279 | L156-Y160 VanDerWaalsContact O-CD2 3.26Å; L156-Y160 WeakPolarHBondContact O-CD2 3.35Å; L156-Y160 WeakPolarHBondContact O-CE2 3.38Å; Q157-Y160 PolarHBondContact O-N 3.11Å; D158-Y160 PolarHBondContact O-N 2.84Å; D158-Y160 VanDerWaalsContact O-N 3.11Å; Y160-W165 AromaticContact CD1-CD1 3.78Å; Y160-W165 HydrophobicContact CD1-CG 4.44Å; Y160-W165 AromaticContact CE1-CD1 3.7Å; Y160-W165 HydrophobicContact CE1-CG 4.42Å; Y160-W165 AromaticContact CE1-NE1 3.85Å; Y160-I173 WeakPolarHBondContact OH-CA 3.44Å; Y160-I173 WeakPolarHBondContact OH-CB 3.48Å; Y160-Y174 PolarHBondContact OH-N 2.68Å; Y160-K255 WeakPolarHBondContact O-CE 3.21Å; Y160-A272 VanDerWaalsContact O-CB 3.26Å; Y160-A272 WeakPolarHBondContact O-CB 3.42Å; Y160-L275 HydrophobicContact CD1-CB 3.49Å; Y160-L275 VanDerWaalsContact CD1-CB 3.49Å; Y160-L275 HydrophobicContact CD1-CD1 3.86Å; Y160-L275 HydrophobicContact CD1-CG 4.34Å; Y160-L275 HydrophobicContact CE1-CB 3.69Å; Y160-L275 HydrophobicContact CE1-CD1 4.1Å; Y160-L275 HydrophobicContact CE1-CG 4.47Å; Y160-L275 HydrophobicContact CG-CB 4.02Å; Y160-A276 HydrophobicContact CD2-CB 3.83Å; Y160-A276 HydrophobicContact CG-CB 4.3Å; Y160-A279 HydrophobicContact CE2-CB 3.75Å |
| 161 | S | 95.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -82.8 | -38.3 | 176.2 | 49.4 | 0 | 0 | 0 | 0 | 113.1 | D158 N254 K255 | D158-S161 WeakPolarHBondContact CA-OG 3.17Å; D158-S161 PolarHBondContact O-N 2.81Å; D158-S161 VanDerWaalsContact O-N 3.13Å; D158-S161 PolarHBondContact O-OG 3.48Å; D158-S161 VanDerWaalsContact O-OG 3.14Å; S161-N254 WeakPolarHBondContact O-CA 3.49Å; S161-K255 WeakPolarHBondContact O-CE 3.38Å; S161-K255 PolarHBondContact O-N 3.14Å; S161-K255 PolarHBondContact O-NZ 3.3Å |
| 162 | H | 95.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.009 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -99.6 | -20.5 | -169.6 | -53.7 | 164.7 | 0 | 0 | 0 | 114.2 | H113 D115 D158 T219 G220 H237 D256 H612 | H113-H162 VanDerWaalsContact CB-CE1 3.43Å; H113-H162 WeakPolarHBondContact CB-CE1 3.37Å; H113-H162 AromaticContact ND1-NE2 3.84Å; H113-H162 CovalentContact O-CE1 1.87Å; H113-H162 PolarHBondContact O-CE1 3.08Å; H113-H162 PolarHBondContact O-ND1 3.3Å; D115-H162 IonicContact OD1-CE1 3.6Å; D115-H162 IonicContact OD1-ND1 3.3Å; D158-H162 WeakPolarHBondContact O-CB 3.12Å; D158-H162 PolarHBondContact O-N 3.36Å; D158-H162 IonicContact OD1-NE2 2.75Å; D158-H162 PolarHBondContact OD1-NE2 3.19Å; D158-H162 IonicContact OD2-CE1 3.74Å; D158-H162 IonicContact OD2-ND1 3.85Å; D158-H162 IonicContact OD2-NE2 3.84Å; D158-H162 PolarHBondContact OD2-NE2 3.48Å; H162-T219 WeakPolarHBondContact O-CA 3.36Å; H162-G220 PolarHBondContact O-N 2.72Å; H162-H237 AromaticContact CD2-CD2 3.79Å; H162-H237 AromaticContact CD2-NE2 3.32Å; H162-H237 PolarHBondContact CD2-NE2 3.48Å; H162-H237 VanDerWaalsContact CD2-NE2 3.32Å; H162-H237 AromaticContact CG-CD2 3.92Å; H162-H237 AromaticContact CG-NE2 3.88Å; H162-D256 IonicContact CD2-OD1 3.58Å; H162-D256 PolarHBondContact CD2-OD1 3.49Å; H162-D256 VanDerWaalsContact CD2-OD1 3.27Å; H162-H612 AromaticContact NE2-CE1 3.74Å |
| 163 | S | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | B | Isolated β-bridge | trans | -87.8 | 169.9 | 173.4 | 82.3 | 0 | 0 | 0 | 0 | 113.5 | F159 W165 T218 K255 | F159-S163 WeakPolarHBondContact O-CB 3.35Å; F159-S163 PolarHBondContact O-N 2.69Å; F159-S163 PolarHBondContact O-OG 2.97Å; S163-W165 VanDerWaalsContact C-N 3.31Å; S163-W165 PolarHBondContact O-N 2.81Å; S163-W165 WeakPolarHBondContact OG-CB 3.27Å; S163-W165 PolarHBondContact OG-N 2.91Å; S163-T218 CarbonylContact C-O 3.55Å; S163-T218 WeakPolarHBondContact CA-O 3.39Å; S163-K255 WeakPolarHBondContact O-CE 3.49Å; S163-K255 PolarHBondContact O-NZ 2.94Å |
| 164 | N | 96.6 | Very high | 95.4 | Very high | 3 Ų | 3 | 21.6 Ų | 21.6 | 2% | 0.016 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -83.9 | 14.5 | 171.6 | 69.9 | -33.4 | 0 | 0 | 0 | 115.1 | V166 E167 M168 L207 L216 L217 T218 | N164-V166 VanDerWaalsContact C-N 3.31Å; N164-V166 PolarHBondContact O-N 3.47Å; N164-E167 VanDerWaalsContact C-OE2 3.28Å; N164-E167 VanDerWaalsContact CA-OE2 3.32Å; N164-E167 WeakPolarHBondContact CA-OE2 3.45Å; N164-E167 HydrophobicContact CB-CB 4.35Å; N164-E167 WeakPolarHBondContact O-CB 3.5Å; N164-E167 PolarHBondContact O-N 2.83Å; N164-E167 VanDerWaalsContact O-N 3.12Å; N164-M168 WeakPolarHBondContact O-CG 3.34Å; N164-M168 PolarHBondContact O-N 3.25Å; N164-L207 HydrophobicContact CB-CD1 3.94Å; N164-L207 HydrophobicContact CB-CD2 4.29Å; N164-L216 PolarHBondContact ND2-O 3.31Å; N164-L217 VanDerWaalsContact OD1-CA 3.3Å; N164-L217 WeakPolarHBondContact OD1-CA 3.32Å; N164-T218 HydrophobicContact CB-CG2 3.93Å; N164-T218 PolarHBondContact N-O 2.83Å; N164-T218 PolarHBondContact OD1-N 2.83Å; N164-T218 PolarHBondContact OD1-O 2.93Å |
| 165 | W | 96.7 | Very high | 95.1 | Very high | 13 Ų | 13 | 24.7 Ų | 24.7 | 5% | 0.049 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -43.4 | -174 | -175.4 | -101.8 | 0 | 0 | 0 | 113.6 | F159 Y160 S163 K170 S172 Y174 V185 L217 | F159-W165 HydrophobicContact CE1-CB 3.92Å; F159-W165 AromaticContact CE1-CD2 3.97Å; F159-W165 HydrophobicContact CE1-CD2 3.97Å; F159-W165 HydrophobicContact CE1-CE3 4.19Å; F159-W165 AromaticContact CE1-CG 3.85Å; F159-W165 HydrophobicContact CE1-CG 3.85Å; F159-W165 HydrophobicContact CZ-CB 4.14Å; F159-W165 HydrophobicContact CZ-CD2 4.14Å; F159-W165 AromaticContact CZ-CE3 3.89Å; F159-W165 HydrophobicContact CZ-CE3 3.89Å; F159-W165 HydrophobicContact CZ-CG 4.27Å; Y160-W165 AromaticContact CD1-CD1 3.78Å; Y160-W165 HydrophobicContact CD1-CG 4.44Å; Y160-W165 AromaticContact CE1-CD1 3.7Å; Y160-W165 HydrophobicContact CE1-CG 4.42Å; Y160-W165 AromaticContact CE1-NE1 3.85Å; S163-W165 VanDerWaalsContact C-N 3.31Å; S163-W165 PolarHBondContact O-N 2.81Å; S163-W165 WeakPolarHBondContact OG-CB 3.27Å; S163-W165 PolarHBondContact OG-N 2.91Å; W165-K170 HydrophobicContact CD2-CB 3.86Å; W165-K170 HydrophobicContact CD2-CG 3.82Å; W165-K170 HydrophobicContact CE3-CG 4.07Å; W165-K170 HydrophobicContact CG-CB 4.15Å; W165-K170 HydrophobicContact CG-CG 4.38Å; W165-K170 HydrophobicContact CH2-CB 4.43Å; W165-K170 HydrophobicContact CH2-CD 4.3Å; W165-K170 HydrophobicContact CH2-CG 4.05Å; W165-K170 HydrophobicContact CZ2-CB 3.68Å; W165-K170 HydrophobicContact CZ2-CD 4.31Å; W165-K170 HydrophobicContact CZ2-CG 3.8Å; W165-K170 HydrophobicContact CZ3-CG 4.19Å; W165-K170 WeakPolarHBondContact O-CB 3.47Å; W165-K170 WeakPolarHBondContact O-CG 3.17Å; W165-K170 PolarHBondContact O-N 3.35Å; W165-S172 PolarHBondContact NE1-O 2.9Å; W165-Y174 HydrophobicContact CE3-CD1 4.5Å; W165-Y174 HydrophobicContact CE3-CD2 4.49Å; W165-Y174 HydrophobicContact CE3-CG 4.17Å; W165-Y174 AromaticContact CH2-CD2 3.35Å; W165-Y174 HydrophobicContact CH2-CD2 3.35Å; W165-Y174 HydrophobicContact CH2-CE2 4.17Å; W165-Y174 AromaticContact CH2-CG 3.64Å; W165-Y174 HydrophobicContact CH2-CG 3.64Å; W165-Y174 HydrophobicContact CZ2-CD2 4.21Å; W165-Y174 HydrophobicContact CZ2-CG 4.19Å; W165-Y174 HydrophobicContact CZ3-CD1 4.2Å; W165-Y174 AromaticContact CZ3-CD2 3.51Å; W165-Y174 HydrophobicContact CZ3-CD2 3.51Å; W165-Y174 HydrophobicContact CZ3-CE2 4.04Å; W165-Y174 AromaticContact CZ3-CG 3.61Å; W165-Y174 HydrophobicContact CZ3-CG 3.61Å; W165-V185 HydrophobicContact CZ3-CG2 3.97Å; W165-L217 HydrophobicContact CE3-CD2 3.98Å |
| 166 | V | 95.1 | Very high | 94.8 | Very high | 6 Ų | 6 | 25.6 Ų | 25.6 | 4% | 0.036 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -39.9 | 179.2 | 175.6 | 0 | 0 | 0 | 0 | 110.9 | N164 M168 G169 K255 L268 E271 A272 L275 | N164-V166 VanDerWaalsContact C-N 3.31Å; N164-V166 PolarHBondContact O-N 3.47Å; V166-M168 VanDerWaalsContact C-N 3.28Å; V166-M168 PolarHBondContact O-N 3.43Å; V166-G169 WeakPolarHBondContact O-CA 3.44Å; V166-G169 PolarHBondContact O-N 3.48Å; V166-K255 HydrophobicContact CB-CD 4.47Å; V166-L268 HydrophobicContact CG1-CB 4.05Å; V166-L268 HydrophobicContact CG1-CD1 4.18Å; V166-L268 HydrophobicContact CG1-CD2 4.1Å; V166-L268 HydrophobicContact CG1-CG 4.33Å; V166-E271 HydrophobicContact CG1-CB 4.06Å; V166-E271 HydrophobicContact CG1-CG 3.85Å; V166-E271 HydrophobicContact CG2-CG 4.47Å; V166-A272 HydrophobicContact CG2-CB 4.07Å; V166-L275 HydrophobicContact CG2-CD1 4.04Å |
| 167 | E | 95.1 | Very high | 94.5 | Very high | 37 Ų | 37 | 25.5 Ų | 25.5 | 17% | 0.173 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -28.5 | 178.4 | -65.5 | 88 | 153.1 | 0 | 0 | 112.8 | N164 G169 L207 K255 H265 L268 | N164-E167 VanDerWaalsContact C-OE2 3.28Å; N164-E167 VanDerWaalsContact CA-OE2 3.32Å; N164-E167 WeakPolarHBondContact CA-OE2 3.45Å; N164-E167 HydrophobicContact CB-CB 4.35Å; N164-E167 WeakPolarHBondContact O-CB 3.5Å; N164-E167 PolarHBondContact O-N 2.83Å; N164-E167 VanDerWaalsContact O-N 3.12Å; E167-G169 PolarHBondContact O-N 2.79Å; E167-L207 HydrophobicContact CB-CD1 3.46Å; E167-L207 VanDerWaalsContact CB-CD1 3.46Å; E167-L207 HydrophobicContact CG-CD1 3.54Å; E167-K255 IonicContact OE1-NZ 2.8Å; E167-K255 PolarHBondContact OE1-NZ 3.18Å; E167-K255 IonicContact OE2-NZ 3.7Å; E167-K255 PolarHBondContact OE2-NZ 3.36Å; E167-H265 IonicContact OE1-CE1 3.4Å; E167-H265 IonicContact OE1-CG 2.76Å; E167-H265 IonicContact OE1-ND1 3.11Å; E167-H265 PolarHBondContact OE1-ND1 2.89Å; E167-L268 HydrophobicContact CG-CD1 3.48Å; E167-L268 VanDerWaalsContact CG-CD1 3.48Å |
| 168 | M | 93.4 | Very high | 94.1 | Very high | 18 Ų | 18 | 27.2 Ų | 27.2 | 9% | 0.089 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -8.5 | 168.6 | -66.5 | 172.4 | 75.3 | 0 | 0 | 112.9 | N164 V166 K170 V185 N215 L217 | N164-M168 WeakPolarHBondContact O-CG 3.34Å; N164-M168 PolarHBondContact O-N 3.25Å; V166-M168 VanDerWaalsContact C-N 3.28Å; V166-M168 PolarHBondContact O-N 3.43Å; M168-K170 HydrophobicContact CB-CG 4.1Å; M168-V185 HydrophobicContact CE-CG1 4.02Å; M168-N215 HydrophobicContact CE-CB 4.23Å; M168-N215 WeakPolarHBondContact CE-OD1 3.24Å; M168-L217 HydrophobicContact SD-CD2 3.84Å |
| 169 | G | 91.8 | Very high | 93.5 | Very high | 42 Ų | 42 | 28 Ų | 28 | 43% | 0.433 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 16 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | V166 E167 K171 | V166-G169 WeakPolarHBondContact O-CA 3.44Å; V166-G169 PolarHBondContact O-N 3.48Å; E167-G169 PolarHBondContact O-N 2.79Å; G169-K171 PolarHBondContact O-N 2.83Å |
| 170 | K | 93.1 | Very high | 92.7 | Very high | 60 Ų | 60 | 29.4 Ų | 29.4 | 26% | 0.261 | 16% | 0.16 | S | C | . | . | trans | -73.8 | 123.9 | -179.6 | -54.1 | -66.2 | -176.9 | -177.1 | 0 | 109.8 | W165 M168 N215 | W165-K170 HydrophobicContact CD2-CB 3.86Å; W165-K170 HydrophobicContact CD2-CG 3.82Å; W165-K170 HydrophobicContact CE3-CG 4.07Å; W165-K170 HydrophobicContact CG-CB 4.15Å; W165-K170 HydrophobicContact CG-CG 4.38Å; W165-K170 HydrophobicContact CH2-CB 4.43Å; W165-K170 HydrophobicContact CH2-CD 4.3Å; W165-K170 HydrophobicContact CH2-CG 4.05Å; W165-K170 HydrophobicContact CZ2-CB 3.68Å; W165-K170 HydrophobicContact CZ2-CD 4.31Å; W165-K170 HydrophobicContact CZ2-CG 3.8Å; W165-K170 HydrophobicContact CZ3-CG 4.19Å; W165-K170 WeakPolarHBondContact O-CB 3.47Å; W165-K170 WeakPolarHBondContact O-CG 3.17Å; W165-K170 PolarHBondContact O-N 3.35Å; M168-K170 HydrophobicContact CB-CG 4.1Å; K170-N215 WeakPolarHBondContact CE-OD1 3.27Å; K170-N215 PolarHBondContact NZ-OD1 3.23Å | ||
| 171 | K | 91.7 | Very high | 91.6 | Very high | 142 Ų | 142 | 32.9 Ų | 32.9 | 62% | 0.617 | 18% | 0.178 | S | C | * | . | trans | -104.1 | 3.5 | -179.2 | -57.3 | -58.4 | -174.8 | -174.8 | 0 | 114.2 | G169 E271 | G169-K171 PolarHBondContact O-N 2.83Å; K171-E271 VanDerWaalsContact CD-OE1 3.29Å; K171-E271 WeakPolarHBondContact CD-OE1 3.39Å; K171-E271 WeakPolarHBondContact CE-OE1 3.31Å; K171-E271 IonicContact NZ-OE1 2.72Å; K171-E271 PolarHBondContact NZ-OE1 2.95Å; K171-E271 IonicContact NZ-OE2 3.77Å; K171-E271 PolarHBondContact NZ-OE2 2.89Å | ||
| 172 | S | 93.6 | Very high | 91 | Very high | 77 Ų | 77 | 35.5 Ų | 35.5 | 54% | 0.538 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -117.5 | 162.1 | 177.4 | 52.8 | 0 | 0 | 0 | 0 | 110.9 | W165 | W165-S172 PolarHBondContact NE1-O 2.9Š|
| 173 | I | 95.6 | Very high | 90.4 | Very high | 30 Ų | 30 | 40.5 Ų | 40.5 | 15% | 0.154 | 22% | 0.223 | C | C | . | . | trans | -69.3 | 145.5 | 173.8 | 58.8 | 171.1 | 0 | 0 | 0 | 110.9 | Y160 L175 L275 I278 A279 T282 | Y160-I173 WeakPolarHBondContact OH-CA 3.44Å; Y160-I173 WeakPolarHBondContact OH-CB 3.48Å; I173-L175 HydrophobicContact CD1-CD2 3.7Å; I173-L175 HydrophobicContact CG1-CD2 3.82Å; I173-L175 HydrophobicContact CG1-CG 4.5Å; I173-L175 PolarHBondContact O-N 3.27Å; I173-L175 VanDerWaalsContact O-N 3.14Å; I173-L275 WeakPolarHBondContact CG2-O 3.45Å; I173-I278 HydrophobicContact CG2-CB 4.03Å; I173-I278 HydrophobicContact CG2-CG2 3.74Å; I173-A279 HydrophobicContact CB-CB 4.45Å; I173-A279 HydrophobicContact CG2-CB 3.89Å; I173-T282 HydrophobicContact CD1-CG2 4.08Å | ||
| 174 | Y | 95 | Very high | 90.1 | Very high | 14 Ų | 14 | 43.5 Ų | 43.5 | 6% | 0.055 | 25% | 0.248 | C | C | . | . | trans | -81 | 92.2 | 176.9 | -174.9 | -146.5 | 0 | 0 | 0 | 109.8 | F159 Y160 W165 H176 L177 A184 V185 L217 | F159-Y174 AromaticContact CE1-CD1 3.87Å; F159-Y174 HydrophobicContact CE1-CD1 3.87Å; F159-Y174 HydrophobicContact CE1-CG 4.29Å; F159-Y174 AromaticContact CE2-CD1 3.87Å; F159-Y174 HydrophobicContact CE2-CD1 3.87Å; F159-Y174 HydrophobicContact CE2-CE1 4.27Å; F159-Y174 AromaticContact CZ-CD1 3.35Å; F159-Y174 HydrophobicContact CZ-CD1 3.35Å; F159-Y174 HydrophobicContact CZ-CE1 4.07Å; F159-Y174 HydrophobicContact CZ-CG 4.1Å; Y160-Y174 PolarHBondContact OH-N 2.68Å; W165-Y174 HydrophobicContact CE3-CD1 4.5Å; W165-Y174 HydrophobicContact CE3-CD2 4.49Å; W165-Y174 HydrophobicContact CE3-CG 4.17Å; W165-Y174 AromaticContact CH2-CD2 3.35Å; W165-Y174 HydrophobicContact CH2-CD2 3.35Å; W165-Y174 HydrophobicContact CH2-CE2 4.17Å; W165-Y174 AromaticContact CH2-CG 3.64Å; W165-Y174 HydrophobicContact CH2-CG 3.64Å; W165-Y174 HydrophobicContact CZ2-CD2 4.21Å; W165-Y174 HydrophobicContact CZ2-CG 4.19Å; W165-Y174 HydrophobicContact CZ3-CD1 4.2Å; W165-Y174 AromaticContact CZ3-CD2 3.51Å; W165-Y174 HydrophobicContact CZ3-CD2 3.51Å; W165-Y174 HydrophobicContact CZ3-CE2 4.04Å; W165-Y174 AromaticContact CZ3-CG 3.61Å; W165-Y174 HydrophobicContact CZ3-CG 3.61Å; Y174-H176 HydrophobicContact CD2-CB 4.01Å; Y174-H176 HydrophobicContact CE1-CB 4.26Å; Y174-H176 HydrophobicContact CE2-CB 3.47Å; Y174-H176 VanDerWaalsContact CE2-CB 3.47Å; Y174-H176 PolarHBondContact O-N 3.5Å; Y174-L177 HydrophobicContact CD1-CD1 4.34Å; Y174-L177 HydrophobicContact CD1-CD2 3.64Å; Y174-L177 HydrophobicContact CD1-CG 3.66Å; Y174-L177 HydrophobicContact CE1-CD2 4.03Å; Y174-L177 HydrophobicContact CE1-CG 4.41Å; Y174-L177 HydrophobicContact CG-CG 4.24Å; Y174-L177 WeakPolarHBondContact O-CG 3.33Å; Y174-L177 PolarHBondContact O-N 3.47Å; Y174-A184 WeakPolarHBondContact OH-CA 3.29Å; Y174-V185 HydrophobicContact CE2-CB 4.36Å; Y174-V185 HydrophobicContact CE2-CG2 3.89Å; Y174-V185 PolarHBondContact OH-N 2.73Å; Y174-L217 HydrophobicContact CE1-CD1 4.05Å | ||
| 175 | L | 89.7 | Confident | 89.9 | Confident | 65 Ų | 65 | 44.1 Ų | 44.1 | 34% | 0.34 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -60.5 | -28.7 | -173.9 | -62.4 | 174.6 | 0 | 0 | 0 | 113.3 | I173 L177 L178 Q179 E182 | I173-L175 HydrophobicContact CD1-CD2 3.7Å; I173-L175 HydrophobicContact CG1-CD2 3.82Å; I173-L175 HydrophobicContact CG1-CG 4.5Å; I173-L175 PolarHBondContact O-N 3.27Å; I173-L175 VanDerWaalsContact O-N 3.14Å; L175-L177 PolarHBondContact O-N 2.81Å; L175-L177 VanDerWaalsContact O-N 3.08Å; L175-L178 PolarHBondContact O-N 3.45Å; L175-Q179 WeakPolarHBondContact O-CB 3.26Å; L175-Q179 PolarHBondContact O-N 3.3Å; L175-E182 HydrophobicContact CB-CB 4.12Å; L175-E182 HydrophobicContact CB-CG 3.69Å; L175-E182 HydrophobicContact CD1-CG 4.45Å |
| 176 | H | 90.1 | Very high | 89.8 | Confident | 22 Ų | 22 | 46.9 Ų | 46.9 | 10% | 0.102 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -57.1 | -26.1 | 179.9 | -173 | 81.4 | 0 | 0 | 0 | 113.7 | R127 Y174 L178 Q179 P180 E182 | R127-H176 PolarHBondContact NH2-NE2 2.73Å; R127-H176 PolarHBondContact NH2-O 2.6Å; Y174-H176 HydrophobicContact CD2-CB 4.01Å; Y174-H176 HydrophobicContact CE1-CB 4.26Å; Y174-H176 HydrophobicContact CE2-CB 3.47Å; Y174-H176 VanDerWaalsContact CE2-CB 3.47Å; Y174-H176 PolarHBondContact O-N 3.5Å; H176-L178 VanDerWaalsContact C-N 3.26Å; H176-L178 PolarHBondContact O-N 2.91Å; H176-Q179 WeakPolarHBondContact CA-O 3.48Å; H176-Q179 PolarHBondContact O-N 2.73Å; H176-P180 PolarHBondContact CE1-O 3.44Å; H176-P180 PolarHBondContact ND1-O 3.35Å; H176-P180 VanDerWaalsContact ND1-O 3.1Å; H176-E182 HydrophobicContact CB-CB 4.23Å; H176-E182 PolarHBondContact ND1-O 2.92Å |
| 177 | L | 92 | Very high | 89.8 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -52.5 | -44.7 | 177.1 | -62 | 176 | 0 | 0 | 0 | 112.1 | F114 I123 R127 L156 F159 Y174 L175 | F114-L177 HydrophobicContact CE1-CD2 3.85Å; F114-L177 HydrophobicContact CZ-CD2 3.96Å; I123-L177 HydrophobicContact CD1-CD2 4.06Å; I123-L177 HydrophobicContact CG1-CD2 3.74Å; R127-L177 PolarHBondContact NE-O 3.24Å; L156-L177 HydrophobicContact CD1-CD1 3.77Å; F159-L177 HydrophobicContact CB-CD1 4.19Å; F159-L177 HydrophobicContact CD1-CD1 3.68Å; F159-L177 HydrophobicContact CD2-CD1 4.41Å; F159-L177 HydrophobicContact CD2-CD2 3.89Å; F159-L177 HydrophobicContact CE1-CD1 4.19Å; F159-L177 HydrophobicContact CE2-CD2 4.12Å; F159-L177 HydrophobicContact CG-CD1 3.8Å; F159-L177 HydrophobicContact CG-CD2 4.11Å; Y174-L177 HydrophobicContact CD1-CD1 4.34Å; Y174-L177 HydrophobicContact CD1-CD2 3.64Å; Y174-L177 HydrophobicContact CD1-CG 3.66Å; Y174-L177 HydrophobicContact CE1-CD2 4.03Å; Y174-L177 HydrophobicContact CE1-CG 4.41Å; Y174-L177 HydrophobicContact CG-CG 4.24Å; Y174-L177 WeakPolarHBondContact O-CG 3.33Å; Y174-L177 PolarHBondContact O-N 3.47Å; L175-L177 PolarHBondContact O-N 2.81Å; L175-L177 VanDerWaalsContact O-N 3.08Å |
| 178 | L | 88.6 | Confident | 89.7 | Confident | 36 Ų | 36 | 46.6 Ų | 46.6 | 19% | 0.188 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -12.4 | 178.5 | -77.7 | 166 | 0 | 0 | 0 | 113.9 | L126 W130 L152 L175 H176 A283 | L126-L178 HydrophobicContact CD2-CD1 4.48Å; L126-L178 HydrophobicContact CD2-CD2 3.36Å; L126-L178 HydrophobicContact CD2-CG 3.59Å; W130-L178 HydrophobicContact CB-CD2 4.25Å; W130-L178 HydrophobicContact CD2-CD2 4.25Å; W130-L178 HydrophobicContact CE3-CD2 4Å; W130-L178 HydrophobicContact CG-CD2 4.38Å; L152-L178 HydrophobicContact CD1-CD2 4.48Å; L175-L178 PolarHBondContact O-N 3.45Å; H176-L178 VanDerWaalsContact C-N 3.26Å; H176-L178 PolarHBondContact O-N 2.91Å; L178-A283 HydrophobicContact CD1-CB 3.98Å |
| 179 | Q | 83.7 | Confident | 89.7 | Confident | 17 Ų | 17 | 53 Ų | 53 | 8% | 0.079 | 30% | 0.3 | C | S | . | . | trans | -129.7 | 90.7 | -174.2 | -56.7 | -173.1 | 23.1 | 0 | 0 | 111.5 | L175 H176 D181 E182 | L175-Q179 WeakPolarHBondContact O-CB 3.26Å; L175-Q179 PolarHBondContact O-N 3.3Å; H176-Q179 WeakPolarHBondContact CA-O 3.48Å; H176-Q179 PolarHBondContact O-N 2.73Å; Q179-D181 PolarHBondContact O-N 3.19Å; Q179-D181 VanDerWaalsContact O-N 3.11Å; Q179-E182 HydrophobicContact CB-CB 4.48Å; Q179-E182 HydrophobicContact CB-CG 3.69Å; Q179-E182 WeakPolarHBondContact O-CB 3.48Å; Q179-E182 PolarHBondContact O-N 2.96Å | ||
| 180 | P | 79.6 | Confident | 89.5 | Confident | 30 Ų | 30 | 58 Ų | 58 | 20% | 0.195 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -32.5 | -175.8 | 16.5 | -30.9 | 0 | 0 | 0 | 116 | H176 E182 P823 | H176-P180 PolarHBondContact CE1-O 3.44Å; H176-P180 PolarHBondContact ND1-O 3.35Å; H176-P180 VanDerWaalsContact ND1-O 3.1Å; P180-E182 PolarHBondContact O-N 3.09Å; P180-P823 HydrophobicContact CG-CG 4.03Å |
| 181 | D | 74.1 | Confident | 89.3 | Confident | 75 Ų | 75 | 61.3 Ų | 61.3 | 40% | 0.401 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -19.1 | 179 | -55.4 | -12.8 | 0 | 0 | 0 | 113.7 | Q179 S825 | Q179-D181 PolarHBondContact O-N 3.19Å; Q179-D181 VanDerWaalsContact O-N 3.11Å; D181-S825 WeakPolarHBondContact OD2-CA 3.17Å |
| 182 | E | 83.3 | Confident | 89.4 | Confident | 55 Ų | 55 | 56.4 Ų | 56.4 | 26% | 0.257 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -71.5 | 146.3 | 177.1 | -64.6 | -66.1 | 138.2 | 0 | 0 | 110.2 | L175 H176 Q179 P180 A184 K959 | L175-E182 HydrophobicContact CB-CB 4.12Å; L175-E182 HydrophobicContact CB-CG 3.69Å; L175-E182 HydrophobicContact CD1-CG 4.45Å; H176-E182 HydrophobicContact CB-CB 4.23Å; H176-E182 PolarHBondContact ND1-O 2.92Å; Q179-E182 HydrophobicContact CB-CB 4.48Å; Q179-E182 HydrophobicContact CB-CG 3.69Å; Q179-E182 WeakPolarHBondContact O-CB 3.48Å; Q179-E182 PolarHBondContact O-N 2.96Å; P180-E182 PolarHBondContact O-N 3.09Å; E182-A184 PolarHBondContact O-N 2.75Å; E182-K959 IonicContact OE1-NZ 2.68Å; E182-K959 PolarHBondContact OE1-NZ 3.32Å |
| 183 | P | 83 | Confident | 89.5 | Confident | 106 Ų | 106 | 55.9 Ų | 55.9 | 69% | 0.688 | 31% | 0.309 | S | S | * | . | trans | -56.7 | 116 | -174.3 | -27.5 | 35.6 | 0 | 0 | 0 | 113.5 | ||||
| 184 | A | 90.1 | Very high | 89.5 | Confident | 64 Ų | 64 | 54.4 Ų | 54.4 | 53% | 0.529 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 134.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y174 E182 | Y174-A184 WeakPolarHBondContact OH-CA 3.29Å; E182-A184 PolarHBondContact O-N 2.75Å |
| 185 | V | 92.9 | Very high | 89.5 | Confident | 16 Ų | 16 | 54 Ų | 54 | 10% | 0.097 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -89.4 | 125.4 | 169.7 | -180 | 0 | 0 | 0 | 0 | 108.5 | W165 M168 Y174 N215 L217 | W165-V185 HydrophobicContact CZ3-CG2 3.97Å; M168-V185 HydrophobicContact CE-CG1 4.02Å; Y174-V185 HydrophobicContact CE2-CB 4.36Å; Y174-V185 HydrophobicContact CE2-CG2 3.89Å; Y174-V185 PolarHBondContact OH-N 2.73Å; V185-N215 WeakPolarHBondContact CG1-O 3.47Å; V185-L217 HydrophobicContact CB-CD1 3.96Å; V185-L217 HydrophobicContact CB-CG 4.04Å; V185-L217 HydrophobicContact CG1-CD1 4.18Å; V185-L217 HydrophobicContact CG1-CD2 4.25Å; V185-L217 HydrophobicContact CG1-CG 3.69Å |
| 186 | P | 94 | Very high | 89.8 | Confident | 70 Ų | 70 | 56 Ų | 56 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 142.1 | -175.7 | 23.8 | -32.7 | 0 | 0 | 0 | 112.5 | L216 L217 | P186-L216 HydrophobicContact CB-CD2 3.96Å; P186-L216 HydrophobicContact CG-CD2 3.97Å; P186-L216 CarbonylContact O-C 3.26Å; P186-L216 VanDerWaalsContact O-CA 3.29Å; P186-L216 WeakPolarHBondContact O-CA 3.42Å; P186-L217 PolarHBondContact O-N 2.89Å |
| 187 | V | 94.9 | Very high | 90.1 | Very high | 34 Ų | 34 | 58 Ų | 58 | 21% | 0.206 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -87.2 | 143.8 | 176.8 | -171.9 | 0 | 0 | 0 | 0 | 110.4 | E117 I119 K189 | E117-V187 HydrophobicContact CB-CG1 4.16Å; I119-V187 HydrophobicContact CB-CG2 4.02Å; I119-V187 HydrophobicContact CD1-CG1 4.06Å; I119-V187 HydrophobicContact CD1-CG2 4.06Å; I119-V187 HydrophobicContact CG2-CG2 4.32Å; V187-K189 PolarHBondContact O-N 2.72Å |
| 188 | A | 94.1 | Very high | 90.2 | Very high | 4 Ų | 4 | 59 Ų | 59 | 3% | 0.033 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 125.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | T192 T194 L211 L216 L217 K234 | A188-T192 HydrophobicContact CB-CG2 4.37Å; A188-T194 HydrophobicContact CB-CG2 3.62Å; A188-L211 HydrophobicContact CB-CD2 4.16Å; A188-L216 HydrophobicContact CB-CB 4.48Å; A188-L217 WeakPolarHBondContact CB-O 3.37Å; A188-L217 PolarHBondContact N-O 3.02Å; A188-K234 PolarHBondContact O-NZ 2.87Å |
| 189 | K | 92.1 | Very high | 90.2 | Very high | 152 Ų | 152 | 66.2 Ų | 66.2 | 66% | 0.661 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 156.1 | 178.3 | -63 | 179.9 | -179.6 | -177.8 | 0 | 111.8 | V187 D191 T192 K234 | V187-K189 PolarHBondContact O-N 2.72Å; K189-D191 WeakPolarHBondContact CB-OD1 3.5Å; K189-D191 PolarHBondContact O-N 3.15Å; K189-D191 VanDerWaalsContact O-N 3.1Å; K189-T192 VanDerWaalsContact O-CB 3.28Å; K189-T192 WeakPolarHBondContact O-CB 3.31Å; K189-T192 PolarHBondContact O-N 3.03Å; K189-K234 WeakPolarHBondContact O-CE 3.32Å; K189-K234 PolarHBondContact O-NZ 2.81Å |
| 190 | E | 87.9 | Confident | 90.5 | Very high | 146 Ų | 146 | 69.5 Ų | 69.5 | 68% | 0.682 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | -37.5 | -177.9 | -168.4 | -176.4 | 173.5 | 0 | 0 | 113.8 | P231 K234 | E190-P231 HydrophobicContact CG-CB 4.23Å; E190-P231 HydrophobicContact CG-CG 3.72Å; E190-K234 WeakPolarHBondContact O-CE 3.35Å |
| 191 | D | 90.2 | Very high | 90.8 | Very high | 131 Ų | 131 | 72.1 Ų | 72.1 | 70% | 0.701 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -13.7 | 179.1 | 69.5 | -20.6 | 0 | 0 | 0 | 114.6 | K189 P193 | K189-D191 WeakPolarHBondContact CB-OD1 3.5Å; K189-D191 PolarHBondContact O-N 3.15Å; K189-D191 VanDerWaalsContact O-N 3.1Å; D191-P193 VanDerWaalsContact O-CD 3.28Å; D191-P193 WeakPolarHBondContact O-CD 2.85Å |
| 192 | T | 93.8 | Very high | 91.6 | Very high | 39 Ų | 39 | 70.2 Ų | 70.2 | 24% | 0.239 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -87.5 | 110.4 | -175.1 | -59.7 | 0 | 0 | 0 | 0 | 109.7 | A188 K189 T194 L216 K234 | A188-T192 HydrophobicContact CB-CG2 4.37Å; K189-T192 VanDerWaalsContact O-CB 3.28Å; K189-T192 WeakPolarHBondContact O-CB 3.31Å; K189-T192 PolarHBondContact O-N 3.03Å; T192-T194 VanDerWaalsContact O-CG2 3.3Å; T192-T194 WeakPolarHBondContact O-CG2 3.24Å; T192-L216 HydrophobicContact CG2-CD1 4.46Å; T192-K234 VanDerWaalsContact O-CE 3.23Å; T192-K234 WeakPolarHBondContact O-CE 3.11Å; T192-K234 PolarHBondContact O-NZ 3.36Å |
| 193 | P | 94.8 | Very high | 92.1 | Very high | 65 Ų | 65 | 67.9 Ų | 67.9 | 42% | 0.422 | 37% | 0.374 | S | S | . | . | trans | -64.4 | 139.5 | 179.9 | -20.3 | 34.8 | 0 | 0 | 0 | 110.7 | D191 L208 | D191-P193 VanDerWaalsContact O-CD 3.28Å; D191-P193 WeakPolarHBondContact O-CD 2.85Å; P193-L208 HydrophobicContact CB-CD1 3.74Å | ||
| 194 | T | 96 | Very high | 92.5 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 37% | 0.371 | C | S | . | . | trans | -121.3 | -28 | -174.2 | 65.1 | 0 | 0 | 0 | 0 | 113.4 | E117 A188 T192 L207 L208 L211 T218 G233 K234 C235 | E117-T194 WeakPolarHBondContact OE1-CG2 3.44Å; A188-T194 HydrophobicContact CB-CG2 3.62Å; T192-T194 VanDerWaalsContact O-CG2 3.3Å; T192-T194 WeakPolarHBondContact O-CG2 3.24Å; T194-L207 WeakPolarHBondContact O-CA 3.35Å; T194-L208 PolarHBondContact O-N 3.39Å; T194-L211 HydrophobicContact CG2-CD1 4.5Å; T194-L211 HydrophobicContact CG2-CD2 3.81Å; T194-L211 WeakPolarHBondContact O-CD1 3.47Å; T194-T218 WeakPolarHBondContact CB-OG1 3.35Å; T194-T218 HydrophobicContact CG2-CG2 4.47Å; T194-T218 WeakPolarHBondContact CG2-OG1 3.26Å; T194-T218 PolarHBondContact OG1-OG1 2.8Å; T194-T218 VanDerWaalsContact OG1-OG1 3.08Å; T194-G233 PolarHBondContact N-O 3.36Å; T194-K234 HydrophobicContact CG2-CD 3.81Å; T194-K234 WeakPolarHBondContact OG1-CA 3.5Å; T194-C235 PolarHBondContact OG1-N 3.03Å; T194-C235 VanDerWaalsContact OG1-N 3.16Å; T194-C235 PolarHBondContact OG1-SG 2.85Å | ||
| 195 | C | 95 | Very high | 92.5 | Very high | 6 Ų | 6 | 73.6 Ų | 73.6 | 4% | 0.041 | 38% | 0.378 | C | S | . | . | B | Isolated β-bridge | trans | -129.9 | 158.2 | 177.5 | -85 | 0 | 0 | 0 | 0 | 113.1 | N206 G233 C235 A249 I253 | C195-N206 CarbonylContact C-O 3.54Å; C195-N206 WeakPolarHBondContact CA-O 3.23Å; C195-G233 PolarHBondContact N-O 2.9Å; C195-C235 HydrophobicContact CB-CB 3.95Å; C195-C235 WeakPolarHBondContact CB-SG 3.2Å; C195-C235 VanDerWaalsContact SG-CA 3.54Å; C195-C235 WeakPolarHBondContact SG-CB 3.49Å; C195-C235 CovalentContact SG-SG 2.04Å; C195-C235 PolarHBondContact SG-SG 2.96Å; C195-A249 HydrophobicContact CB-CB 3.8Å; C195-A249 WeakPolarHBondContact O-CB 3.43Å; C195-I253 VanDerWaalsContact SG-CG2 3.58Å |
| 196 | K | 95.6 | Very high | 92.6 | Very high | 106 Ų | 106 | 73 Ų | 73 | 46% | 0.461 | 38% | 0.375 | S | S | . | . | trans | -109.8 | 169.3 | 161.3 | 77.8 | -160 | 180 | -158.3 | 0 | 110.5 | N205 N206 L208 | K196-N205 WeakPolarHBondContact CE-O 2.87Å; K196-N205 PolarHBondContact NZ-O 3.46Å; K196-N206 WeakPolarHBondContact CG-O 3.35Å; K196-N206 PolarHBondContact N-O 3.39Å; K196-L208 HydrophobicContact CB-CD2 4.14Å | ||
| 197 | D | 95.7 | Very high | 92.6 | Very high | 64 Ų | 64 | 71.2 Ų | 71.2 | 34% | 0.342 | 36% | 0.361 | S | S | . | . | trans | -60.7 | 138.3 | 178.3 | -62.4 | -36.9 | 0 | 0 | 0 | 112.9 | F199 A249 T250 | D197-F199 HydrophobicContact CB-CZ 4.35Å; D197-A249 WeakPolarHBondContact OD1-CA 3.41Å; D197-A249 PolarHBondContact OD1-N 2.76Å; D197-T250 WeakPolarHBondContact CA-OG1 3.42Å; D197-T250 WeakPolarHBondContact CB-OG1 2.96Å; D197-T250 PolarHBondContact OD1-N 3.08Å | ||
| 198 | C | 93.9 | Very high | 92.7 | Very high | 22 Ų | 22 | 71.8 Ų | 71.8 | 15% | 0.149 | 36% | 0.363 | C | S | . | . | trans | -90.9 | 133.6 | 170.8 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | C203 N206 T250 | C198-C203 HydrophobicContact CB-CB 4.18Å; C198-C203 WeakPolarHBondContact CB-SG 3.35Å; C198-C203 WeakPolarHBondContact SG-CB 3.46Å; C198-C203 CovalentContact SG-SG 2.02Å; C198-C203 PolarHBondContact SG-SG 3.11Å; C198-N206 PolarHBondContact SG-ND2 3.14Å; C198-N206 VanDerWaalsContact SG-ND2 3.43Å; C198-T250 WeakPolarHBondContact CB-O 3.24Å; C198-T250 PolarHBondContact N-O 3.44Å; C198-T250 PolarHBondContact N-OG1 3.18Å; C198-T250 PolarHBondContact SG-O 2.95Å | ||
| 199 | F | 89.4 | Confident | 92.4 | Very high | 188 Ų | 188 | 75.9 Ų | 75.9 | 83% | 0.825 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -99.5 | -3.6 | 178.2 | -54.5 | -72.7 | 0 | 0 | 0 | 113.9 | D197 | D197-F199 HydrophobicContact CB-CZ 4.35Š|
| 200 | T | 89.3 | Confident | 92.2 | Very high | 86 Ų | 86 | 72 Ų | 72 | 53% | 0.528 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -141.4 | 161.8 | 175 | 79.4 | 0 | 0 | 0 | 0 | 109.6 | T202 | T200-T202 PolarHBondContact O-N 2.62Å; T200-T202 PolarHBondContact OG1-N 2.86Å; T200-T202 PolarHBondContact OG1-O 2.85Å |
| 201 | P | 86.1 | Confident | 92.3 | Very high | 86 Ų | 86 | 65.2 Ų | 65.2 | 56% | 0.558 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -58.2 | -29.6 | 175.4 | -24 | 34.4 | 0 | 0 | 0 | 113.3 | C203 S260 P264 | P201-C203 PolarHBondContact O-N 3.45Å; P201-S260 VanDerWaalsContact CB-O 3.24Å; P201-S260 WeakPolarHBondContact CB-O 3.34Å; P201-P264 WeakPolarHBondContact O-CA 3.21Å |
| 202 | T | 92.4 | Very high | 91.9 | Very high | 35 Ų | 35 | 65.7 Ų | 65.7 | 22% | 0.215 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -87.6 | 98.3 | 173.3 | -56.7 | 0 | 0 | 0 | 0 | 110.1 | T200 R204 P264 H266 Y267 | T200-T202 PolarHBondContact O-N 2.62Å; T200-T202 PolarHBondContact OG1-N 2.86Å; T200-T202 PolarHBondContact OG1-O 2.85Å; T202-R204 HydrophobicContact CG2-CG 4.03Å; T202-R204 PolarHBondContact O-N 3.13Å; T202-P264 CarbonylContact C-O 3.56Å; T202-H266 WeakPolarHBondContact CG2-NE2 3.48Å; T202-H266 PolarHBondContact OG1-NE2 3.43Å; T202-Y267 HydrophobicContact CG2-CD1 3.7Å; T202-Y267 HydrophobicContact CG2-CE1 3.89Å |
| 203 | C | 92.9 | Very high | 91.5 | Very high | 5 Ų | 5 | 70.5 Ų | 70.5 | 3% | 0.034 | 37% | 0.366 | C | S | . | . | trans | -71.5 | 36 | -171.8 | -89.3 | 0 | 0 | 0 | 0 | 115.8 | C198 P201 N205 N206 G252 P264 H265 | C198-C203 HydrophobicContact CB-CB 4.18Å; C198-C203 WeakPolarHBondContact CB-SG 3.35Å; C198-C203 WeakPolarHBondContact SG-CB 3.46Å; C198-C203 CovalentContact SG-SG 2.02Å; C198-C203 PolarHBondContact SG-SG 3.11Å; P201-C203 PolarHBondContact O-N 3.45Å; C203-N205 PolarHBondContact O-N 2.84Å; C203-N206 HydrophobicContact CB-CB 4.39Å; C203-N206 WeakPolarHBondContact O-CB 3.47Å; C203-N206 PolarHBondContact O-N 3.02Å; C203-N206 PolarHBondContact O-OD1 3.23Å; C203-G252 WeakPolarHBondContact CB-O 3.45Å; C203-G252 PolarHBondContact SG-N 3.37Å; C203-G252 VanDerWaalsContact SG-N 3.4Å; C203-G252 PolarHBondContact SG-O 2.98Å; C203-P264 HydrophobicContact CB-CB 3.62Å; C203-P264 PolarHBondContact N-O 2.79Å; C203-P264 VanDerWaalsContact SG-CB 3.57Å; C203-H265 PolarHBondContact O-NE2 2.84Å | ||
| 204 | R | 91.9 | Very high | 91.1 | Very high | 163 Ų | 163 | 71 Ų | 71 | 62% | 0.615 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 125.3 | -176.2 | -85.1 | 177.8 | -176.2 | -162.6 | 2.4 | 112.7 | T202 N206 Y267 | T202-R204 HydrophobicContact CG2-CG 4.03Å; T202-R204 PolarHBondContact O-N 3.13Å; R204-N206 VanDerWaalsContact C-N 3.31Å; R204-N206 PolarHBondContact O-N 3.02Å; R204-Y267 HydrophobicContact CG-CD1 4.17Å; R204-Y267 HydrophobicContact CG-CE1 3.52Å; R204-Y267 HydrophobicContact CG-CE2 4.24Å |
| 205 | N | 89 | Confident | 90.9 | Very high | 128 Ų | 128 | 73.8 Ų | 73.8 | 68% | 0.684 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 34.7 | 176.1 | -48.8 | -41.3 | 0 | 0 | 0 | 113.7 | K196 C203 | K196-N205 WeakPolarHBondContact CE-O 2.87Å; K196-N205 PolarHBondContact NZ-O 3.46Å; C203-N205 PolarHBondContact O-N 2.84Å |
| 206 | N | 94.9 | Very high | 90.9 | Very high | 3 Ų | 3 | 74.8 Ų | 74.8 | 2% | 0.016 | 39% | 0.391 | C | S | . | . | trans | -74.1 | -32 | 171.9 | 68.9 | -15.6 | 0 | 0 | 0 | 113.2 | C195 K196 C198 C203 R204 G252 H265 | C195-N206 CarbonylContact C-O 3.54Å; C195-N206 WeakPolarHBondContact CA-O 3.23Å; K196-N206 WeakPolarHBondContact CG-O 3.35Å; K196-N206 PolarHBondContact N-O 3.39Å; C198-N206 PolarHBondContact SG-ND2 3.14Å; C198-N206 VanDerWaalsContact SG-ND2 3.43Å; C203-N206 HydrophobicContact CB-CB 4.39Å; C203-N206 WeakPolarHBondContact O-CB 3.47Å; C203-N206 PolarHBondContact O-N 3.02Å; C203-N206 PolarHBondContact O-OD1 3.23Å; R204-N206 VanDerWaalsContact C-N 3.31Å; R204-N206 PolarHBondContact O-N 3.02Å; N206-G252 PolarHBondContact ND2-O 3.33Å; N206-H265 PolarHBondContact OD1-CE1 2.81Å; N206-H265 VanDerWaalsContact OD1-CE1 3.26Å; N206-H265 PolarHBondContact OD1-NE2 3.07Å | ||
| 207 | L | 95.7 | Very high | 90.9 | Very high | 32 Ų | 32 | 69.8 Ų | 69.8 | 17% | 0.168 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | -58.4 | 138.4 | 174.2 | -72.2 | 166.9 | 0 | 0 | 0 | 111.2 | N164 E167 T194 L211 T218 C235 I253 | N164-L207 HydrophobicContact CB-CD1 3.94Å; N164-L207 HydrophobicContact CB-CD2 4.29Å; E167-L207 HydrophobicContact CB-CD1 3.46Å; E167-L207 VanDerWaalsContact CB-CD1 3.46Å; E167-L207 HydrophobicContact CG-CD1 3.54Å; T194-L207 WeakPolarHBondContact O-CA 3.35Å; L207-L211 HydrophobicContact CB-CD1 4.31Å; L207-L211 HydrophobicContact CD2-CD1 3.57Å; L207-T218 HydrophobicContact CD2-CG2 3.72Å; L207-C235 VanDerWaalsContact CD2-SG 3.54Å; L207-I253 HydrophobicContact CD2-CG2 4.14Å; L207-I253 HydrophobicContact CG-CG2 4.3Å |
| 208 | L | 95.1 | Very high | 91 | Very high | 46 Ų | 46 | 66.7 Ų | 66.7 | 24% | 0.241 | 35% | 0.353 | C | S | . | . | trans | -79.4 | 140.7 | -178.4 | -63.1 | -176.3 | 0 | 0 | 0 | 111.8 | P193 T194 K196 T210 L211 | P193-L208 HydrophobicContact CB-CD1 3.74Å; T194-L208 PolarHBondContact O-N 3.39Å; K196-L208 HydrophobicContact CB-CD2 4.14Å; L208-T210 WeakPolarHBondContact CB-OG1 3.41Å; L208-T210 PolarHBondContact O-N 3.34Å; L208-T210 VanDerWaalsContact O-N 3.07Å; L208-L211 PolarHBondContact O-N 2.94Å; L208-L211 VanDerWaalsContact O-N 3.07Å | ||
| 209 | P | 88.8 | Confident | 91 | Very high | 90 Ų | 90 | 65.7 Ų | 65.7 | 58% | 0.584 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -58.2 | -25.1 | -178.6 | -26.5 | 35 | 0 | 0 | 0 | 114.7 | L211 K212 N213 | P209-L211 PolarHBondContact O-N 2.84Å; P209-K212 PolarHBondContact O-N 3.11Å; P209-K212 VanDerWaalsContact O-N 3.14Å; P209-N213 VanDerWaalsContact O-CG 3.29Å; P209-N213 PolarHBondContact O-N 2.88Å; P209-N213 PolarHBondContact O-OD1 2.87Å |
| 210 | T | 87.6 | Confident | 91.2 | Very high | 70 Ų | 70 | 56.7 Ų | 56.7 | 43% | 0.429 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -53.1 | -36.3 | 174.3 | 43 | 0 | 0 | 0 | 0 | 112.6 | L208 S214 | L208-T210 WeakPolarHBondContact CB-OG1 3.41Å; L208-T210 PolarHBondContact O-N 3.34Å; L208-T210 VanDerWaalsContact O-N 3.07Å; T210-S214 VanDerWaalsContact O-CB 3.23Å; T210-S214 WeakPolarHBondContact O-CB 3.41Å; T210-S214 PolarHBondContact O-N 3.07Å; T210-S214 PolarHBondContact O-OG 2.85Å; T210-S214 VanDerWaalsContact O-OG 3.12Å |
| 211 | L | 89.7 | Confident | 91.3 | Very high | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 178.4 | -60.2 | 175.5 | 0 | 0 | 0 | 112.3 | A188 T194 L207 L208 P209 N215 L216 T218 | A188-L211 HydrophobicContact CB-CD2 4.16Å; T194-L211 HydrophobicContact CG2-CD1 4.5Å; T194-L211 HydrophobicContact CG2-CD2 3.81Å; T194-L211 WeakPolarHBondContact O-CD1 3.47Å; L207-L211 HydrophobicContact CB-CD1 4.31Å; L207-L211 HydrophobicContact CD2-CD1 3.57Å; L208-L211 PolarHBondContact O-N 2.94Å; L208-L211 VanDerWaalsContact O-N 3.07Å; P209-L211 PolarHBondContact O-N 2.84Å; L211-N215 CarbonylContact O-C 3.42Å; L211-N215 VanDerWaalsContact O-CA 3.31Å; L211-N215 WeakPolarHBondContact O-CA 3.46Å; L211-N215 PolarHBondContact O-N 2.81Å; L211-L216 HydrophobicContact CD2-CB 3.92Å; L211-L216 HydrophobicContact CD2-CD1 4.36Å; L211-L216 PolarHBondContact O-N 2.87Å; L211-T218 HydrophobicContact CD1-CG2 3.69Å |
| 212 | K | 83.3 | Confident | 91.2 | Very high | 142 Ų | 142 | 49.6 Ų | 49.6 | 62% | 0.617 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -73.1 | -42.5 | 180 | -171.4 | 171.1 | -178 | 173 | 0 | 111.1 | P209 S214 N215 | P209-K212 PolarHBondContact O-N 3.11Å; P209-K212 VanDerWaalsContact O-N 3.14Å; K212-S214 VanDerWaalsContact C-N 3.34Å; K212-S214 PolarHBondContact O-N 2.77Å; K212-N215 PolarHBondContact O-N 3.31Å |
| 213 | N | 85.4 | Confident | 90 | Very high | 139 Ų | 139 | 51 Ų | 51 | 74% | 0.743 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -66.5 | -35.4 | -179.8 | -66.7 | 0.9 | 0 | 0 | 0 | 112.5 | P209 | P209-N213 VanDerWaalsContact O-CG 3.29Å; P209-N213 PolarHBondContact O-N 2.88Å; P209-N213 PolarHBondContact O-OD1 2.87Å |
| 214 | S | 86 | Confident | 88.3 | Confident | 76 Ų | 76 | 51.4 Ų | 51.4 | 53% | 0.531 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 3.2 | 179 | -53.4 | 0 | 0 | 0 | 0 | 113.5 | T210 K212 L216 | T210-S214 VanDerWaalsContact O-CB 3.23Å; T210-S214 WeakPolarHBondContact O-CB 3.41Å; T210-S214 PolarHBondContact O-N 3.07Å; T210-S214 PolarHBondContact O-OG 2.85Å; T210-S214 VanDerWaalsContact O-OG 3.12Å; K212-S214 VanDerWaalsContact C-N 3.34Å; K212-S214 PolarHBondContact O-N 2.77Å; S214-L216 PolarHBondContact O-N 3.48Å |
| 215 | N | 90.8 | Very high | 86.1 | Confident | 58 Ų | 58 | 49 Ų | 49 | 31% | 0.31 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 54 | -175.9 | -174.2 | 78.1 | 0 | 0 | 0 | 112.4 | M168 K170 V185 L211 K212 | M168-N215 HydrophobicContact CE-CB 4.23Å; M168-N215 WeakPolarHBondContact CE-OD1 3.24Å; K170-N215 WeakPolarHBondContact CE-OD1 3.27Å; K170-N215 PolarHBondContact NZ-OD1 3.23Å; V185-N215 WeakPolarHBondContact CG1-O 3.47Å; L211-N215 CarbonylContact O-C 3.42Å; L211-N215 VanDerWaalsContact O-CA 3.31Å; L211-N215 WeakPolarHBondContact O-CA 3.46Å; L211-N215 PolarHBondContact O-N 2.81Å; K212-N215 PolarHBondContact O-N 3.31Å |
| 216 | L | 95.4 | Very high | 84.3 | Confident | 28 Ų | 28 | 46.9 Ų | 46.9 | 15% | 0.147 | 28% | 0.276 | C | S | . | . | trans | -101.1 | 138.7 | -178.5 | -67.8 | 167.2 | 0 | 0 | 0 | 112.6 | N164 P186 A188 T192 L211 S214 | N164-L216 PolarHBondContact ND2-O 3.31Å; P186-L216 HydrophobicContact CB-CD2 3.96Å; P186-L216 HydrophobicContact CG-CD2 3.97Å; P186-L216 CarbonylContact O-C 3.26Å; P186-L216 VanDerWaalsContact O-CA 3.29Å; P186-L216 WeakPolarHBondContact O-CA 3.42Å; A188-L216 HydrophobicContact CB-CB 4.48Å; T192-L216 HydrophobicContact CG2-CD1 4.46Å; L211-L216 HydrophobicContact CD2-CB 3.92Å; L211-L216 HydrophobicContact CD2-CD1 4.36Å; L211-L216 PolarHBondContact O-N 2.87Å; S214-L216 PolarHBondContact O-N 3.48Å | ||
| 217 | L | 96.5 | Very high | 82.6 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -80.8 | 145.2 | 168.2 | -67.3 | 173.6 | 0 | 0 | 0 | 112.1 | I119 F159 N164 W165 M168 Y174 V185 P186 A188 | I119-L217 HydrophobicContact CD1-CB 3.65Å; I119-L217 HydrophobicContact CD1-CD1 4.13Å; I119-L217 HydrophobicContact CD1-CG 4.46Å; I119-L217 HydrophobicContact CG2-CD1 4.45Å; F159-L217 HydrophobicContact CE2-CD1 4.44Å; F159-L217 HydrophobicContact CZ-CD2 4.47Å; N164-L217 VanDerWaalsContact OD1-CA 3.3Å; N164-L217 WeakPolarHBondContact OD1-CA 3.32Å; W165-L217 HydrophobicContact CE3-CD2 3.98Å; M168-L217 HydrophobicContact SD-CD2 3.84Å; Y174-L217 HydrophobicContact CE1-CD1 4.05Å; V185-L217 HydrophobicContact CB-CD1 3.96Å; V185-L217 HydrophobicContact CB-CG 4.04Å; V185-L217 HydrophobicContact CG1-CD1 4.18Å; V185-L217 HydrophobicContact CG1-CD2 4.25Å; V185-L217 HydrophobicContact CG1-CG 3.69Å; P186-L217 PolarHBondContact O-N 2.89Å; A188-L217 WeakPolarHBondContact CB-O 3.37Å; A188-L217 PolarHBondContact N-O 3.02Å |
| 218 | T | 96.6 | Very high | 81.2 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | -145.5 | 151.2 | 167.2 | -170.4 | 0 | 0 | 0 | 0 | 108.3 | E117 S163 N164 T194 L207 L211 I253 | E117-T218 WeakPolarHBondContact OE1-CB 3.26Å; E117-T218 PolarHBondContact OE1-OG1 2.92Å; S163-T218 CarbonylContact C-O 3.55Å; S163-T218 WeakPolarHBondContact CA-O 3.39Å; N164-T218 HydrophobicContact CB-CG2 3.93Å; N164-T218 PolarHBondContact N-O 2.83Å; N164-T218 PolarHBondContact OD1-N 2.83Å; N164-T218 PolarHBondContact OD1-O 2.93Å; T194-T218 WeakPolarHBondContact CB-OG1 3.35Å; T194-T218 HydrophobicContact CG2-CG2 4.47Å; T194-T218 WeakPolarHBondContact CG2-OG1 3.26Å; T194-T218 PolarHBondContact OG1-OG1 2.8Å; T194-T218 VanDerWaalsContact OG1-OG1 3.08Å; L207-T218 HydrophobicContact CD2-CG2 3.72Å; L211-T218 HydrophobicContact CD1-CG2 3.69Å; T218-I253 HydrophobicContact CG2-CD1 4.32Å | ||
| 219 | T | 95.4 | Very high | 80.6 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -130 | 168.5 | 175 | 64.6 | 0 | 0 | 0 | 0 | 110.8 | F114 S116 E117 I119 H162 | F114-T219 WeakPolarHBondContact O-CB 3.5Å; F114-T219 WeakPolarHBondContact O-CG2 3.48Å; F114-T219 PolarHBondContact O-OG1 2.89Å; S116-T219 PolarHBondContact N-OG1 3.13Å; E117-T219 WeakPolarHBondContact CA-OG1 3.28Å; E117-T219 PolarHBondContact N-OG1 3.35Å; I119-T219 HydrophobicContact CD1-CG2 3.71Å; I119-T219 HydrophobicContact CG1-CG2 3.81Å; H162-T219 WeakPolarHBondContact O-CA 3.36Å |
| 220 | G | 92 | Very high | 80.7 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | trans | -70.9 | 132 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D115 S116 H162 S236 H237 | D115-G220 CarbonylContact C-O 3.6Å; D115-G220 WeakPolarHBondContact CA-O 3.27Å; D115-G220 WeakPolarHBondContact CB-O 3.24Å; S116-G220 PolarHBondContact N-O 3.43Å; H162-G220 PolarHBondContact O-N 2.72Å; G220-S236 VanDerWaalsContact CA-C 3.45Å; G220-H237 VanDerWaalsContact CA-N 3.3Å | ||
| 221 | Y | 91.6 | Very high | 80.9 | Confident | 11 Ų | 11 | 54.2 Ų | 54.2 | 4% | 0.043 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -82 | 139.5 | 166.1 | -75.8 | -102.6 | 0 | 0 | 0 | 110.7 | S116 E117 P228 K230 P231 K234 C235 H237 S244 | S116-Y221 VanDerWaalsContact CB-CD1 3.45Å; E117-Y221 HydrophobicContact CB-CE2 4.41Å; E117-Y221 HydrophobicContact CG-CE2 3.84Å; E117-Y221 PolarHBondContact OE2-OH 2.82Å; Y221-P228 HydrophobicContact CD1-CG 4.42Å; Y221-P228 HydrophobicContact CE1-CG 4.09Å; Y221-K230 HydrophobicContact CD1-CB 4.31Å; Y221-K230 HydrophobicContact CG-CB 4.14Å; Y221-K230 HydrophobicContact CG-CG 4.15Å; Y221-P231 HydrophobicContact CE1-CG 4.2Å; Y221-P231 VanDerWaalsContact CZ-CD 3.47Å; Y221-K234 HydrophobicContact CD2-CB 3.8Å; Y221-K234 HydrophobicContact CD2-CG 4.48Å; Y221-K234 HydrophobicContact CE2-CB 3.62Å; Y221-K234 HydrophobicContact CE2-CD 4.19Å; Y221-K234 HydrophobicContact CE2-CG 3.81Å; Y221-C235 WeakPolarHBondContact CD2-O 3.46Å; Y221-C235 PolarHBondContact N-O 2.83Å; Y221-H237 PolarHBondContact O-N 2.81Å; Y221-S244 PolarHBondContact O-OG 2.79Å |
| 222 | T | 83.9 | Confident | 80.9 | Confident | 12 Ų | 12 | 62.7 Ų | 62.7 | 7% | 0.074 | 33% | 0.332 | C | S | . | . | trans | -106.6 | -179.3 | 174.8 | 51.6 | 0 | 0 | 0 | 0 | 111.3 | D115 S224 H237 | D115-T222 WeakPolarHBondContact OD2-CG2 3.16Å; T222-S224 PolarHBondContact OG1-OG 3.44Å; T222-H237 HydrophobicContact CG2-CB 3.59Å | ||
| 223 | T | 67.4 | Low | 81.3 | Confident | 63 Ų | 63 | 56.4 Ų | 56.4 | 39% | 0.387 | 31% | 0.308 | S | S | . | . | trans | -120.3 | 23.6 | -178.4 | 28 | 0 | 0 | 0 | 0 | 114 | S225 D242 K243 S244 | T223-S225 VanDerWaalsContact C-N 3.29Å; T223-S225 PolarHBondContact O-N 3.01Å; T223-D242 PolarHBondContact OG1-OD1 3.4Å; T223-K243 HydrophobicContact CG2-CB 4.21Å; T223-K243 WeakPolarHBondContact OG1-CB 3.13Å; T223-K243 PolarHBondContact OG1-N 2.78Å; T223-S244 PolarHBondContact OG1-N 2.67Å | ||
| 224 | S | 57 | Low | 81.8 | Confident | 15 Ų | 15 | 49.8 Ų | 49.8 | 11% | 0.105 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -76.1 | 60.2 | -169.6 | 51.2 | 0 | 0 | 0 | 0 | 115.3 | D108 T222 S226 | D108-S224 WeakPolarHBondContact O-CB 3.28Å; D108-S224 PolarHBondContact O-OG 3.22Å; D108-S224 VanDerWaalsContact OD1-CB 3.23Å; D108-S224 WeakPolarHBondContact OD1-CB 3.17Å; T222-S224 PolarHBondContact OG1-OG 3.44Å; S224-S226 PolarHBondContact O-N 2.95Å |
| 225 | S | 46.1 | Very low | 82.1 | Confident | 112 Ų | 112 | 46.2 Ų | 46.2 | 78% | 0.783 | 25% | 0.247 | S | C | * | . | S | Bend | trans | 56.9 | -4.7 | 164.7 | 32.5 | 0 | 0 | 0 | 0 | 119.3 | T223 | T223-S225 VanDerWaalsContact C-N 3.29Å; T223-S225 PolarHBondContact O-N 3.01Å |
| 226 | S | 51.9 | Low | 82.3 | Confident | 84 Ų | 84 | 43.4 Ų | 43.4 | 59% | 0.587 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -128.9 | 154.1 | -178.8 | -52.3 | 0 | 0 | 0 | 0 | 109.9 | S224 | S224-S226 PolarHBondContact O-N 2.95Š|
| 227 | F | 57.7 | Low | 82.1 | Confident | 159 Ų | 159 | 42.2 Ų | 42.2 | 70% | 0.697 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -58.9 | 147.9 | 174 | -81.8 | -100.6 | 0 | 0 | 0 | 111.6 | F229 | F227-F229 AromaticContact CD1-CD2 3.88Å; F227-F229 HydrophobicContact CD1-CD2 3.88Å; F227-F229 HydrophobicContact CD1-CE2 4.09Å; F227-F229 HydrophobicContact CD2-CE2 4.43Å; F227-F229 AromaticContact CE1-CD2 3.59Å; F227-F229 HydrophobicContact CE1-CD2 3.59Å; F227-F229 AromaticContact CE1-CE2 3.58Å; F227-F229 HydrophobicContact CE1-CE2 3.58Å; F227-F229 AromaticContact CE2-CE2 3.96Å; F227-F229 HydrophobicContact CE2-CE2 3.96Å; F227-F229 HydrophobicContact CG-CE2 4.5Å; F227-F229 HydrophobicContact CZ-CD2 4.05Å; F227-F229 AromaticContact CZ-CE2 3.52Å; F227-F229 HydrophobicContact CZ-CE2 3.52Å |
| 228 | P | 68.1 | Low | 81.8 | Confident | 36 Ų | 36 | 42.2 Ų | 42.2 | 23% | 0.234 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | cis | -93.6 | 148 | 12.9 | 36.5 | -35.7 | 0 | 0 | 0 | 114.6 | Y221 | Y221-P228 HydrophobicContact CD1-CG 4.42Å; Y221-P228 HydrophobicContact CE1-CG 4.09Å |
| 229 | F | 82.1 | Confident | 81.2 | Confident | 156 Ų | 156 | 42.6 Ų | 42.6 | 68% | 0.684 | 23% | 0.23 | S | C | * | . | P | Polyproline II helix | trans | -71.9 | 140.6 | 166.5 | -67.1 | -73.1 | 0 | 0 | 0 | 110.6 | F227 P231 | F227-F229 AromaticContact CD1-CD2 3.88Å; F227-F229 HydrophobicContact CD1-CD2 3.88Å; F227-F229 HydrophobicContact CD1-CE2 4.09Å; F227-F229 HydrophobicContact CD2-CE2 4.43Å; F227-F229 AromaticContact CE1-CD2 3.59Å; F227-F229 HydrophobicContact CE1-CD2 3.59Å; F227-F229 AromaticContact CE1-CE2 3.58Å; F227-F229 HydrophobicContact CE1-CE2 3.58Å; F227-F229 AromaticContact CE2-CE2 3.96Å; F227-F229 HydrophobicContact CE2-CE2 3.96Å; F227-F229 HydrophobicContact CG-CE2 4.5Å; F227-F229 HydrophobicContact CZ-CD2 4.05Å; F227-F229 AromaticContact CZ-CE2 3.52Å; F227-F229 HydrophobicContact CZ-CE2 3.52Å; F229-P231 WeakPolarHBondContact O-CD 3.48Å |
| 230 | K | 89.9 | Confident | 80.7 | Confident | 22 Ų | 22 | 47.9 Ų | 47.9 | 10% | 0.096 | 25% | 0.253 | C | S | . | . | trans | -54.7 | 113.7 | 173.4 | -179.1 | -175.3 | 173.8 | -169.7 | 0 | 111.8 | Y221 K234 S236 S244 L247 S248 A249 | Y221-K230 HydrophobicContact CD1-CB 4.31Å; Y221-K230 HydrophobicContact CG-CB 4.14Å; Y221-K230 HydrophobicContact CG-CG 4.15Å; K230-K234 WeakPolarHBondContact CE-O 3.31Å; K230-K234 HydrophobicContact CG-CB 4.4Å; K230-S236 WeakPolarHBondContact CD-OG 3.46Å; K230-S236 WeakPolarHBondContact CE-OG 3.5Å; K230-S236 PolarHBondContact NZ-OG 3.23Å; K230-S244 PolarHBondContact NZ-O 3.06Å; K230-L247 HydrophobicContact CB-CD1 4.25Å; K230-L247 HydrophobicContact CD-CB 4.14Å; K230-L247 HydrophobicContact CD-CD1 4.35Å; K230-L247 PolarHBondContact NZ-O 3.16Å; K230-S248 WeakPolarHBondContact CE-O 3.15Å; K230-S248 PolarHBondContact NZ-O 3.15Å; K230-S248 VanDerWaalsContact NZ-O 3.07Å; K230-A249 PolarHBondContact NZ-O 2.96Å | ||
| 231 | P | 91.5 | Very high | 80.2 | Confident | 22 Ų | 22 | 51.4 Ų | 51.4 | 14% | 0.143 | 27% | 0.269 | C | S | . | . | trans | -68.5 | 157.3 | 174.4 | -15.3 | 28.7 | 0 | 0 | 0 | 112.2 | E190 Y221 F229 G233 K234 | E190-P231 HydrophobicContact CG-CB 4.23Å; E190-P231 HydrophobicContact CG-CG 3.72Å; Y221-P231 HydrophobicContact CE1-CG 4.2Å; Y221-P231 VanDerWaalsContact CZ-CD 3.47Å; F229-P231 WeakPolarHBondContact O-CD 3.48Å; P231-G233 PolarHBondContact O-N 2.84Å; P231-K234 HydrophobicContact CB-CG 3.73Å; P231-K234 HydrophobicContact CG-CG 3.84Å; P231-K234 WeakPolarHBondContact O-CB 3.35Å; P231-K234 PolarHBondContact O-N 3.02Å | ||
| 232 | K | 90.6 | Very high | 79.9 | Confident | 181 Ų | 181 | 50.9 Ų | 50.9 | 79% | 0.787 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 126.1 | -178.1 | -175.8 | 179.1 | 178.3 | -178.6 | 0 | 111.1 | K234 | K232-K234 VanDerWaalsContact C-N 3.34Š|
| 233 | G | 92.3 | Very high | 80.1 | Confident | 11 Ų | 11 | 57.9 Ų | 57.9 | 11% | 0.113 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85 | 4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | T194 C195 P231 | T194-G233 PolarHBondContact N-O 3.36Å; C195-G233 PolarHBondContact N-O 2.9Å; P231-G233 PolarHBondContact O-N 2.84Å |
| 234 | K | 94.4 | Very high | 81 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -83.7 | 153.3 | 171 | -67.1 | -61.2 | -164.2 | 166.9 | 0 | 112 | E117 A188 K189 E190 T192 T194 Y221 K230 P231 K232 A249 | E117-K234 IonicContact OE1-NZ 2.86Å; E117-K234 PolarHBondContact OE1-NZ 3.41Å; E117-K234 WeakPolarHBondContact OE2-CE 3.43Å; E117-K234 IonicContact OE2-NZ 3.24Å; E117-K234 PolarHBondContact OE2-NZ 3.02Å; A188-K234 PolarHBondContact O-NZ 2.87Å; K189-K234 WeakPolarHBondContact O-CE 3.32Å; K189-K234 PolarHBondContact O-NZ 2.81Å; E190-K234 WeakPolarHBondContact O-CE 3.35Å; T192-K234 VanDerWaalsContact O-CE 3.23Å; T192-K234 WeakPolarHBondContact O-CE 3.11Å; T192-K234 PolarHBondContact O-NZ 3.36Å; T194-K234 HydrophobicContact CG2-CD 3.81Å; T194-K234 WeakPolarHBondContact OG1-CA 3.5Å; Y221-K234 HydrophobicContact CD2-CB 3.8Å; Y221-K234 HydrophobicContact CD2-CG 4.48Å; Y221-K234 HydrophobicContact CE2-CB 3.62Å; Y221-K234 HydrophobicContact CE2-CD 4.19Å; Y221-K234 HydrophobicContact CE2-CG 3.81Å; K230-K234 WeakPolarHBondContact CE-O 3.31Å; K230-K234 HydrophobicContact CG-CB 4.4Å; P231-K234 HydrophobicContact CB-CG 3.73Å; P231-K234 HydrophobicContact CG-CG 3.84Å; P231-K234 WeakPolarHBondContact O-CB 3.35Å; P231-K234 PolarHBondContact O-N 3.02Å; K232-K234 VanDerWaalsContact C-N 3.34Å; K234-A249 VanDerWaalsContact O-CB 3.24Å; K234-A249 WeakPolarHBondContact O-CB 3.36Å |
| 235 | C | 94 | Very high | 82.6 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 138.3 | 176.1 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | T194 C195 L207 Y221 I253 | T194-C235 PolarHBondContact OG1-N 3.03Å; T194-C235 VanDerWaalsContact OG1-N 3.16Å; T194-C235 PolarHBondContact OG1-SG 2.85Å; C195-C235 HydrophobicContact CB-CB 3.95Å; C195-C235 WeakPolarHBondContact CB-SG 3.2Å; C195-C235 VanDerWaalsContact SG-CA 3.54Å; C195-C235 WeakPolarHBondContact SG-CB 3.49Å; C195-C235 CovalentContact SG-SG 2.04Å; C195-C235 PolarHBondContact SG-SG 2.96Å; L207-C235 VanDerWaalsContact CD2-SG 3.54Å; Y221-C235 WeakPolarHBondContact CD2-O 3.46Å; Y221-C235 PolarHBondContact N-O 2.83Å; C235-I253 HydrophobicContact CB-CD1 3.87Å; C235-I253 HydrophobicContact CB-CG1 4.02Å; C235-I253 HydrophobicContact CB-CG2 3.81Å |
| 236 | S | 93.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -77.6 | 157.8 | 162.2 | -79.2 | 0 | 0 | 0 | 0 | 110.9 | G220 K230 S244 R245 G251 G252 I253 | G220-S236 VanDerWaalsContact CA-C 3.45Å; K230-S236 WeakPolarHBondContact CD-OG 3.46Å; K230-S236 WeakPolarHBondContact CE-OG 3.5Å; K230-S236 PolarHBondContact NZ-OG 3.23Å; S236-S244 WeakPolarHBondContact CB-OG 3.3Å; S236-S244 PolarHBondContact OG-O 2.97Å; S236-S244 PolarHBondContact OG-OG 3.14Å; S236-R245 WeakPolarHBondContact OG-CA 3.25Å; S236-R245 PolarHBondContact OG-N 3.48Å; S236-G251 WeakPolarHBondContact CB-O 3.49Å; S236-G252 CarbonylContact O-C 3.55Å; S236-G252 WeakPolarHBondContact O-CA 3.41Å; S236-I253 PolarHBondContact O-N 3.45Å |
| 237 | H | 92.4 | Very high | 86.5 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.009 | 28% | 0.275 | C | S | . | . | trans | -58.4 | -55.2 | 157.9 | -179.4 | -84.9 | 0 | 0 | 0 | 108.9 | D115 H162 G220 Y221 T222 I253 N254 D256 H612 | D115-H237 IonicContact OD1-CD2 3.63Å; H162-H237 AromaticContact CD2-CD2 3.79Å; H162-H237 AromaticContact CD2-NE2 3.32Å; H162-H237 PolarHBondContact CD2-NE2 3.48Å; H162-H237 VanDerWaalsContact CD2-NE2 3.32Å; H162-H237 AromaticContact CG-CD2 3.92Å; H162-H237 AromaticContact CG-NE2 3.88Å; G220-H237 VanDerWaalsContact CA-N 3.3Å; Y221-H237 PolarHBondContact O-N 2.81Å; T222-H237 HydrophobicContact CG2-CB 3.59Å; H237-I253 PolarHBondContact O-N 2.84Å; H237-I253 VanDerWaalsContact O-N 3.16Å; H237-N254 VanDerWaalsContact CE1-CB 3.47Å; H237-N254 WeakPolarHBondContact CE1-CB 3.39Å; H237-N254 PolarHBondContact CE1-ND2 2.91Å; H237-N254 PolarHBondContact ND1-ND2 3.21Å; H237-N254 WeakPolarHBondContact NE2-CB 3.36Å; H237-N254 WeakPolarHBondContact O-CB 3.29Å; H237-N254 PolarHBondContact O-N 3.03Å; H237-N254 PolarHBondContact O-ND2 2.92Å; H237-D256 IonicContact CE1-OD2 3.8Å; H237-D256 PolarHBondContact CE1-OD2 2.86Å; H237-D256 IonicContact NE2-OD1 2.7Å; H237-D256 IonicContact NE2-OD2 3.9Å; H237-D256 PolarHBondContact NE2-OD2 2.97Å; H237-H612 AromaticContact CE1-CE1 3.57Å; H237-H612 AromaticContact NE2-CE1 3.57Å | ||
| 238 | G | 88.5 | Confident | 87.9 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | trans | 84.4 | -167.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D242 G251 N254 | G238-D242 PolarHBondContact N-OD2 2.74Å; G238-D242 WeakPolarHBondContact O-CB 3.23Å; G238-G251 WeakPolarHBondContact CA-O 3.36Å; G238-N254 PolarHBondContact O-ND2 2.86Å | ||
| 239 | G | 85.4 | Confident | 89.1 | Confident | 8 Ų | 8 | 52.5 Ų | 52.5 | 8% | 0.082 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 89.1 | 164 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | F241 D242 R245 F262 | G239-F241 VanDerWaalsContact C-N 3.28Å; G239-F241 PolarHBondContact O-N 2.85Å; G239-F241 VanDerWaalsContact O-N 3.17Å; G239-D242 PolarHBondContact O-N 2.84Å; G239-R245 WeakPolarHBondContact O-CD 3.49Å; G239-R245 PolarHBondContact O-NE 3.24Å; G239-R245 VanDerWaalsContact O-NE 3.11Å; G239-F262 WeakPolarHBondContact CA-O 3.47Å |
| 240 | F | 84.4 | Confident | 89.6 | Confident | 111 Ų | 111 | 47 Ų | 47 | 49% | 0.487 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -37.8 | -169.8 | -175.6 | -97.6 | 0 | 0 | 0 | 114.5 | R245 I261 F262 | F240-R245 PolarHBondContact O-NE 3.17Å; F240-R245 PolarHBondContact O-NH2 2.95Å; F240-I261 HydrophobicContact CB-CG2 4.2Å; F240-I261 HydrophobicContact CD2-CG2 4.48Å; F240-I261 PolarHBondContact N-O 3.07Å; F240-F262 HydrophobicContact CB-CD1 3.97Å; F240-F262 HydrophobicContact CB-CE1 3.79Å |
| 241 | F | 81.1 | Confident | 89.7 | Confident | 73 Ų | 73 | 46.8 Ų | 46.8 | 32% | 0.32 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -20.8 | -174.3 | -64.1 | -65.9 | 0 | 0 | 0 | 114.9 | G239 K243 F262 N610 P613 | G239-F241 VanDerWaalsContact C-N 3.28Å; G239-F241 PolarHBondContact O-N 2.85Å; G239-F241 VanDerWaalsContact O-N 3.17Å; F241-K243 PolarHBondContact O-N 3.39Å; F241-F262 HydrophobicContact CD2-CD1 4.39Å; F241-F262 HydrophobicContact CD2-CE1 4.2Å; F241-F262 HydrophobicContact CE2-CD1 4.29Å; F241-F262 AromaticContact CE2-CE1 3.69Å; F241-F262 HydrophobicContact CE2-CE1 3.69Å; F241-F262 HydrophobicContact CZ-CE1 4.49Å; F241-N610 WeakPolarHBondContact CB-O 3.33Å; F241-N610 WeakPolarHBondContact CG-O 3.38Å; F241-P613 HydrophobicContact CD2-CG 4.26Å; F241-P613 HydrophobicContact CE2-CB 4.28Å; F241-P613 HydrophobicContact CE2-CG 3.89Å |
| 242 | D | 85.7 | Confident | 89.8 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | trans | -72.7 | 122.7 | 174.2 | 177.5 | 25.3 | 0 | 0 | 0 | 110.4 | T223 G238 G239 S244 R245 T611 | T223-D242 PolarHBondContact OG1-OD1 3.4Å; G238-D242 PolarHBondContact N-OD2 2.74Å; G238-D242 WeakPolarHBondContact O-CB 3.23Å; G239-D242 PolarHBondContact O-N 2.84Å; D242-S244 VanDerWaalsContact CG-OG 3.3Å; D242-S244 WeakPolarHBondContact OD1-CB 3.38Å; D242-S244 PolarHBondContact OD1-N 2.7Å; D242-S244 PolarHBondContact OD1-OG 3.38Å; D242-S244 WeakPolarHBondContact OD2-CB 3.49Å; D242-S244 PolarHBondContact OD2-OG 3.4Å; D242-R245 WeakPolarHBondContact O-CD 3.24Å; D242-R245 WeakPolarHBondContact O-CG 3.46Å; D242-R245 PolarHBondContact O-NE 3.49Å; D242-R245 VanDerWaalsContact O-NE 3.16Å; D242-T611 HydrophobicContact CB-CG2 4.41Å | ||
| 243 | K | 86.7 | Confident | 90.1 | Very high | 158 Ų | 158 | 37.1 Ų | 37.1 | 69% | 0.687 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -80.3 | -20 | 176.2 | -62.2 | 174.3 | -177.7 | 169.6 | 0 | 112 | T223 F241 R245 L246 | T223-K243 HydrophobicContact CG2-CB 4.21Å; T223-K243 WeakPolarHBondContact OG1-CB 3.13Å; T223-K243 PolarHBondContact OG1-N 2.78Å; F241-K243 PolarHBondContact O-N 3.39Å; K243-R245 PolarHBondContact O-N 3.37Å; K243-L246 PolarHBondContact O-N 2.89Å |
| 244 | S | 88.1 | Confident | 90.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -62 | -27.6 | -178.3 | 95.8 | 0 | 0 | 0 | 0 | 111.6 | Y221 T223 K230 S236 D242 L246 L247 | Y221-S244 PolarHBondContact O-OG 2.79Å; T223-S244 PolarHBondContact OG1-N 2.67Å; K230-S244 PolarHBondContact NZ-O 3.06Å; S236-S244 WeakPolarHBondContact CB-OG 3.3Å; S236-S244 PolarHBondContact OG-O 2.97Å; S236-S244 PolarHBondContact OG-OG 3.14Å; D242-S244 VanDerWaalsContact CG-OG 3.3Å; D242-S244 WeakPolarHBondContact OD1-CB 3.38Å; D242-S244 PolarHBondContact OD1-N 2.7Å; D242-S244 PolarHBondContact OD1-OG 3.38Å; D242-S244 WeakPolarHBondContact OD2-CB 3.49Å; D242-S244 PolarHBondContact OD2-OG 3.4Å; S244-L246 PolarHBondContact O-N 3.35Å; S244-L247 VanDerWaalsContact O-CB 3.31Å; S244-L247 WeakPolarHBondContact O-CB 3.24Å; S244-L247 PolarHBondContact O-N 3.45Å |
| 245 | R | 89.4 | Confident | 90.2 | Very high | 79 Ų | 79 | 36.7 Ų | 36.7 | 30% | 0.298 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -56.2 | -18.9 | 177.1 | 78.2 | -169.6 | 168.4 | 116.7 | -7 | 115.1 | S236 G239 F240 D242 K243 T250 G251 | S236-R245 WeakPolarHBondContact OG-CA 3.25Å; S236-R245 PolarHBondContact OG-N 3.48Å; G239-R245 WeakPolarHBondContact O-CD 3.49Å; G239-R245 PolarHBondContact O-NE 3.24Å; G239-R245 VanDerWaalsContact O-NE 3.11Å; F240-R245 PolarHBondContact O-NE 3.17Å; F240-R245 PolarHBondContact O-NH2 2.95Å; D242-R245 WeakPolarHBondContact O-CD 3.24Å; D242-R245 WeakPolarHBondContact O-CG 3.46Å; D242-R245 PolarHBondContact O-NE 3.49Å; D242-R245 VanDerWaalsContact O-NE 3.16Å; K243-R245 PolarHBondContact O-N 3.37Å; R245-T250 CarbonylContact O-C 3.49Å; R245-T250 WeakPolarHBondContact O-CA 3.21Å; R245-T250 VanDerWaalsContact O-CB 3.27Å; R245-T250 WeakPolarHBondContact O-CB 3.33Å; R245-G251 WeakPolarHBondContact CA-O 3.46Å; R245-G251 WeakPolarHBondContact CB-O 3.19Å; R245-G251 PolarHBondContact O-N 2.69Å |
| 246 | L | 89.9 | Confident | 89.9 | Confident | 130 Ų | 130 | 36.9 Ų | 36.9 | 68% | 0.681 | 19% | 0.187 | S | C | * | . | G | 310 helix | trans | -88.8 | -11.6 | 179 | -55.6 | 178.9 | 0 | 0 | 0 | 112.6 | K243 S244 | K243-L246 PolarHBondContact O-N 2.89Å; S244-L246 PolarHBondContact O-N 3.35Å |
| 247 | L | 89.4 | Confident | 89.6 | Confident | 86 Ų | 86 | 36.9 Ų | 36.9 | 45% | 0.45 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -87.1 | 152 | 176.2 | -53.2 | 175.7 | 0 | 0 | 0 | 110.5 | K230 S244 A249 T250 | K230-L247 HydrophobicContact CB-CD1 4.25Å; K230-L247 HydrophobicContact CD-CB 4.14Å; K230-L247 HydrophobicContact CD-CD1 4.35Å; K230-L247 PolarHBondContact NZ-O 3.16Å; S244-L247 VanDerWaalsContact O-CB 3.31Å; S244-L247 WeakPolarHBondContact O-CB 3.24Å; S244-L247 PolarHBondContact O-N 3.45Å; L247-A249 CarbonylContact O-C 3.59Å; L247-T250 WeakPolarHBondContact O-CA 3.29Å; L247-T250 WeakPolarHBondContact O-CG2 3.44Å; L247-T250 PolarHBondContact O-N 3.35Å |
| 248 | S | 89 | Confident | 89.4 | Confident | 59 Ų | 59 | 38.2 Ų | 38.2 | 41% | 0.413 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -42.4 | 141.1 | -179.1 | -175.8 | 0 | 0 | 0 | 0 | 113.7 | K230 | K230-S248 WeakPolarHBondContact CE-O 3.15Å; K230-S248 PolarHBondContact NZ-O 3.15Å; K230-S248 VanDerWaalsContact NZ-O 3.07Å |
| 249 | A | 92.4 | Very high | 89.4 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 3% | 0.025 | 20% | 0.202 | C | C | . | . | S | Bend | trans | 60.4 | 57.1 | -149.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | C195 D197 K230 K234 L247 | C195-A249 HydrophobicContact CB-CB 3.8Å; C195-A249 WeakPolarHBondContact O-CB 3.43Å; D197-A249 WeakPolarHBondContact OD1-CA 3.41Å; D197-A249 PolarHBondContact OD1-N 2.76Å; K230-A249 PolarHBondContact NZ-O 2.96Å; K234-A249 VanDerWaalsContact O-CB 3.24Å; K234-A249 WeakPolarHBondContact O-CB 3.36Å; L247-A249 CarbonylContact O-C 3.59Å |
| 250 | T | 92.4 | Very high | 89.5 | Confident | 39 Ų | 39 | 41 Ų | 41 | 24% | 0.239 | 21% | 0.213 | C | C | . | . | trans | -63.5 | 156.4 | -176.8 | 60.7 | 0 | 0 | 0 | 0 | 112.9 | D197 C198 R245 L247 | D197-T250 WeakPolarHBondContact CA-OG1 3.42Å; D197-T250 WeakPolarHBondContact CB-OG1 2.96Å; D197-T250 PolarHBondContact OD1-N 3.08Å; C198-T250 WeakPolarHBondContact CB-O 3.24Å; C198-T250 PolarHBondContact N-O 3.44Å; C198-T250 PolarHBondContact N-OG1 3.18Å; C198-T250 PolarHBondContact SG-O 2.95Å; R245-T250 CarbonylContact O-C 3.49Å; R245-T250 WeakPolarHBondContact O-CA 3.21Å; R245-T250 VanDerWaalsContact O-CB 3.27Å; R245-T250 WeakPolarHBondContact O-CB 3.33Å; L247-T250 WeakPolarHBondContact O-CA 3.29Å; L247-T250 WeakPolarHBondContact O-CG2 3.44Å; L247-T250 PolarHBondContact O-N 3.35Å | ||
| 251 | G | 92.7 | Very high | 89.5 | Confident | 18 Ų | 18 | 40.2 Ų | 40.2 | 19% | 0.186 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 96.2 | -122.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112 | S236 G238 R245 | S236-G251 WeakPolarHBondContact CB-O 3.49Å; G238-G251 WeakPolarHBondContact CA-O 3.36Å; R245-G251 WeakPolarHBondContact CA-O 3.46Å; R245-G251 WeakPolarHBondContact CB-O 3.19Å; R245-G251 PolarHBondContact O-N 2.69Å |
| 252 | G | 94.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | trans | 164.7 | -169.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | C203 N206 S236 P264 | C203-G252 WeakPolarHBondContact CB-O 3.45Å; C203-G252 PolarHBondContact SG-N 3.37Å; C203-G252 VanDerWaalsContact SG-N 3.4Å; C203-G252 PolarHBondContact SG-O 2.98Å; N206-G252 PolarHBondContact ND2-O 3.33Å; S236-G252 CarbonylContact O-C 3.55Å; S236-G252 WeakPolarHBondContact O-CA 3.41Å; G252-P264 WeakPolarHBondContact O-CB 3.39Å | ||
| 253 | I | 95.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -132.4 | 3.2 | -175.3 | 66.5 | 167.7 | 0 | 0 | 0 | 115 | C195 L207 T218 C235 S236 H237 K255 H265 | C195-I253 VanDerWaalsContact SG-CG2 3.58Å; L207-I253 HydrophobicContact CD2-CG2 4.14Å; L207-I253 HydrophobicContact CG-CG2 4.3Å; T218-I253 HydrophobicContact CG2-CD1 4.32Å; C235-I253 HydrophobicContact CB-CD1 3.87Å; C235-I253 HydrophobicContact CB-CG1 4.02Å; C235-I253 HydrophobicContact CB-CG2 3.81Å; S236-I253 PolarHBondContact O-N 3.45Å; H237-I253 PolarHBondContact O-N 2.84Å; H237-I253 VanDerWaalsContact O-N 3.16Å; I253-K255 PolarHBondContact O-NZ 2.89Å; I253-H265 PolarHBondContact O-ND1 2.77Å | ||
| 254 | N | 93.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | trans | -62.5 | 148.6 | 179.2 | 94 | 53.8 | 0 | 0 | 0 | 111.7 | S161 H237 G238 D256 F262 S263 P264 H265 | S161-N254 WeakPolarHBondContact O-CA 3.49Å; H237-N254 VanDerWaalsContact CE1-CB 3.47Å; H237-N254 WeakPolarHBondContact CE1-CB 3.39Å; H237-N254 PolarHBondContact CE1-ND2 2.91Å; H237-N254 PolarHBondContact ND1-ND2 3.21Å; H237-N254 WeakPolarHBondContact NE2-CB 3.36Å; H237-N254 WeakPolarHBondContact O-CB 3.29Å; H237-N254 PolarHBondContact O-N 3.03Å; H237-N254 PolarHBondContact O-ND2 2.92Å; G238-N254 PolarHBondContact O-ND2 2.86Å; N254-D256 WeakPolarHBondContact CB-OD1 3.41Å; N254-D256 PolarHBondContact OD1-N 2.75Å; N254-D256 VanDerWaalsContact OD1-N 3.09Å; N254-D256 PolarHBondContact OD1-OD1 3.41Å; N254-D256 PolarHBondContact OD1-OD2 3.02Å; N254-F262 PolarHBondContact ND2-O 3.5Å; N254-F262 PolarHBondContact OD1-O 3.32Å; N254-S263 WeakPolarHBondContact OD1-CA 3.48Å; N254-S263 WeakPolarHBondContact OD1-CB 3.21Å; N254-S263 PolarHBondContact OD1-OG 2.97Å; N254-P264 WeakPolarHBondContact ND2-CD 3.5Å; N254-H265 WeakPolarHBondContact O-CB 3.36Å; N254-H265 PolarHBondContact O-N 2.67Å | ||
| 255 | K | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -122.4 | 32.2 | -178.7 | -66.3 | 163.8 | -76.9 | -64.7 | 0 | 110.1 | Y160 S161 S163 V166 E167 I253 T257 H265 L268 H269 A272 | Y160-K255 WeakPolarHBondContact O-CE 3.21Å; S161-K255 WeakPolarHBondContact O-CE 3.38Å; S161-K255 PolarHBondContact O-N 3.14Å; S161-K255 PolarHBondContact O-NZ 3.3Å; S163-K255 WeakPolarHBondContact O-CE 3.49Å; S163-K255 PolarHBondContact O-NZ 2.94Å; V166-K255 HydrophobicContact CB-CD 4.47Å; E167-K255 IonicContact OE1-NZ 2.8Å; E167-K255 PolarHBondContact OE1-NZ 3.18Å; E167-K255 IonicContact OE2-NZ 3.7Å; E167-K255 PolarHBondContact OE2-NZ 3.36Å; I253-K255 PolarHBondContact O-NZ 2.89Å; K255-T257 PolarHBondContact O-N 3.48Å; K255-H265 HydrophobicContact CD-CB 4.37Å; K255-H265 HydrophobicContact CG-CB 3.5Å; K255-H265 VanDerWaalsContact CG-CB 3.5Å; K255-L268 HydrophobicContact CD-CB 3.65Å; K255-L268 HydrophobicContact CD-CD1 4.24Å; K255-L268 HydrophobicContact CG-CB 4Å; K255-H269 PolarHBondContact O-ND1 3.06Å; K255-A272 HydrophobicContact CB-CB 4.32Å; K255-A272 HydrophobicContact CD-CB 4.3Å | ||
| 256 | D | 89.4 | Confident | 91 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -64 | -47.4 | -169.5 | -52.3 | -6.7 | 0 | 0 | 0 | 109.4 | G30 F31 F32 H162 H237 N254 S263 H269 H612 | G30-D256 CarbonylContact C-O 3.54Å; F31-D256 CarbonylContact C-O 3.57Å; F31-D256 VanDerWaalsContact CA-O 3.23Å; F31-D256 WeakPolarHBondContact CA-O 3.27Å; F31-D256 WeakPolarHBondContact CB-O 3.47Å; F31-D256 PolarHBondContact N-O 2.9Å; F31-D256 CarbonylContact O-C 3.59Å; F31-D256 VanDerWaalsContact O-C 3.27Å; F32-D256 HydrophobicContact CE1-CB 4.43Å; F32-D256 HydrophobicContact CE2-CB 4.42Å; F32-D256 HydrophobicContact CZ-CB 4.27Å; H162-D256 IonicContact CD2-OD1 3.58Å; H162-D256 PolarHBondContact CD2-OD1 3.49Å; H162-D256 VanDerWaalsContact CD2-OD1 3.27Å; H237-D256 IonicContact CE1-OD2 3.8Å; H237-D256 PolarHBondContact CE1-OD2 2.86Å; H237-D256 IonicContact NE2-OD1 2.7Å; H237-D256 IonicContact NE2-OD2 3.9Å; H237-D256 PolarHBondContact NE2-OD2 2.97Å; N254-D256 WeakPolarHBondContact CB-OD1 3.41Å; N254-D256 PolarHBondContact OD1-N 2.75Å; N254-D256 VanDerWaalsContact OD1-N 3.09Å; N254-D256 PolarHBondContact OD1-OD1 3.41Å; N254-D256 PolarHBondContact OD1-OD2 3.02Å; D256-S263 WeakPolarHBondContact CB-OG 3.26Å; D256-S263 PolarHBondContact N-OG 2.78Å; D256-S263 VanDerWaalsContact N-OG 3.17Å; D256-H269 PolarHBondContact O-ND1 2.88Å; D256-H612 IonicContact OD2-CE1 3.09Å; D256-H612 IonicContact OD2-ND1 2.69Å |
| 257 | T | 87.5 | Confident | 91.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -130.9 | 170.5 | -177.7 | 56.7 | 0 | 0 | 0 | 0 | 114.4 | F32 I41 K255 S259 S263 H266 | F32-T257 HydrophobicContact CD2-CG2 3.2Å; F32-T257 HydrophobicContact CE2-CG2 3.33Å; F32-T257 HydrophobicContact CG-CG2 4.33Å; I41-T257 HydrophobicContact CD1-CG2 3.83Å; K255-T257 PolarHBondContact O-N 3.48Å; T257-S259 PolarHBondContact O-N 3.12Å; T257-S259 PolarHBondContact OG1-N 2.94Å; T257-S263 PolarHBondContact N-OG 3.23Å; T257-S263 VanDerWaalsContact O-CB 3.3Å; T257-S263 WeakPolarHBondContact O-CB 3.49Å; T257-S263 PolarHBondContact OG1-OG 2.66Å; T257-S263 VanDerWaalsContact OG1-OG 3.14Å; T257-H266 WeakPolarHBondContact O-CA 3.26Å; T257-H266 WeakPolarHBondContact O-CB 3.42Å | ||
| 258 | T | 88.2 | Confident | 91.5 | Very high | 30 Ų | 30 | 23.8 Ų | 23.8 | 18% | 0.184 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -65.7 | -10 | 163.2 | 53.4 | 0 | 0 | 0 | 0 | 113.7 | M29 S43 D45 S260 H266 | M29-T258 VanDerWaalsContact O-CG2 3.23Å; M29-T258 WeakPolarHBondContact O-CG2 3.42Å; S43-T258 WeakPolarHBondContact CB-OG1 3.19Å; D45-T258 HydrophobicContact CB-CG2 4.49Å; D45-T258 VanDerWaalsContact O-CG2 3.29Å; D45-T258 WeakPolarHBondContact O-CG2 3.39Å; D45-T258 PolarHBondContact O-OG1 2.96Å; D45-T258 PolarHBondContact OD1-OG1 3.18Å; D45-T258 WeakPolarHBondContact OD2-CB 3.3Å; D45-T258 PolarHBondContact OD2-OG1 3.12Å; T258-S260 PolarHBondContact O-N 2.88Å; T258-H266 PolarHBondContact O-ND1 3.48Å |
| 259 | S | 86.8 | Confident | 91.7 | Very high | 22 Ų | 22 | 21 Ų | 21 | 15% | 0.154 | 12% | 0.116 | C | C | . | . | trans | -87.4 | 112.7 | -177.9 | -174.3 | 0 | 0 | 0 | 0 | 112.6 | T257 I261 F262 S263 | T257-S259 PolarHBondContact O-N 3.12Å; T257-S259 PolarHBondContact OG1-N 2.94Å; S259-I261 PolarHBondContact O-N 2.78Å; S259-F262 PolarHBondContact O-N 2.98Å; S259-S263 PolarHBondContact O-N 3.25Å | ||
| 260 | S | 88.4 | Confident | 91.6 | Very high | 45 Ų | 45 | 24 Ų | 24 | 32% | 0.315 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -11.3 | 175.5 | 70.2 | 0 | 0 | 0 | 0 | 116.3 | P201 T258 H266 | P201-S260 VanDerWaalsContact CB-O 3.24Å; P201-S260 WeakPolarHBondContact CB-O 3.34Å; T258-S260 PolarHBondContact O-N 2.88Å; S260-H266 VanDerWaalsContact CA-CD2 3.45Å; S260-H266 WeakPolarHBondContact CA-CD2 3.27Å; S260-H266 VanDerWaalsContact CB-CD2 3.43Å; S260-H266 WeakPolarHBondContact CB-CD2 3.44Å; S260-H266 WeakPolarHBondContact CB-NE2 3.27Å |
| 261 | I | 85.3 | Confident | 91.7 | Very high | 96 Ų | 96 | 25 Ų | 25 | 49% | 0.492 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -36.5 | 177.3 | -64.8 | 171.8 | 0 | 0 | 0 | 111.2 | F240 S259 | F240-I261 HydrophobicContact CB-CG2 4.2Å; F240-I261 HydrophobicContact CD2-CG2 4.48Å; F240-I261 PolarHBondContact N-O 3.07Å; S259-I261 PolarHBondContact O-N 2.78Å |
| 262 | F | 86.2 | Confident | 91.9 | Very high | 26 Ų | 26 | 24.1 Ų | 24.1 | 11% | 0.114 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -25 | -176.5 | -60.8 | -81.8 | 0 | 0 | 0 | 112.1 | F32 I41 G239 F240 F241 N254 S259 | F32-F262 HydrophobicContact CE2-CB 4.3Å; F32-F262 HydrophobicContact CZ-CB 4.32Å; I41-F262 HydrophobicContact CB-CD2 3.64Å; I41-F262 HydrophobicContact CB-CE1 4.45Å; I41-F262 HydrophobicContact CB-CE2 3.48Å; I41-F262 VanDerWaalsContact CB-CE2 3.48Å; I41-F262 HydrophobicContact CB-CG 4.2Å; I41-F262 HydrophobicContact CB-CZ 3.92Å; I41-F262 HydrophobicContact CG2-CD1 3.99Å; I41-F262 HydrophobicContact CG2-CD2 3.97Å; I41-F262 HydrophobicContact CG2-CE1 3.83Å; I41-F262 HydrophobicContact CG2-CE2 3.81Å; I41-F262 HydrophobicContact CG2-CG 4.07Å; I41-F262 HydrophobicContact CG2-CZ 3.73Å; G239-F262 WeakPolarHBondContact CA-O 3.47Å; F240-F262 HydrophobicContact CB-CD1 3.97Å; F240-F262 HydrophobicContact CB-CE1 3.79Å; F241-F262 HydrophobicContact CD2-CD1 4.39Å; F241-F262 HydrophobicContact CD2-CE1 4.2Å; F241-F262 HydrophobicContact CE2-CD1 4.29Å; F241-F262 AromaticContact CE2-CE1 3.69Å; F241-F262 HydrophobicContact CE2-CE1 3.69Å; F241-F262 HydrophobicContact CZ-CE1 4.49Å; N254-F262 PolarHBondContact ND2-O 3.5Å; N254-F262 PolarHBondContact OD1-O 3.32Å; S259-F262 PolarHBondContact O-N 2.98Å |
| 263 | S | 92.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -129.3 | 105.4 | -177.4 | -61.6 | 0 | 0 | 0 | 0 | 111.8 | N254 D256 T257 S259 H265 H266 | N254-S263 WeakPolarHBondContact OD1-CA 3.48Å; N254-S263 WeakPolarHBondContact OD1-CB 3.21Å; N254-S263 PolarHBondContact OD1-OG 2.97Å; D256-S263 WeakPolarHBondContact CB-OG 3.26Å; D256-S263 PolarHBondContact N-OG 2.78Å; D256-S263 VanDerWaalsContact N-OG 3.17Å; T257-S263 PolarHBondContact N-OG 3.23Å; T257-S263 VanDerWaalsContact O-CB 3.3Å; T257-S263 WeakPolarHBondContact O-CB 3.49Å; T257-S263 PolarHBondContact OG1-OG 2.66Å; T257-S263 VanDerWaalsContact OG1-OG 3.14Å; S259-S263 PolarHBondContact O-N 3.25Å; S263-H265 PolarHBondContact O-N 3.08Å; S263-H266 WeakPolarHBondContact O-CB 3.43Å; S263-H266 PolarHBondContact O-CD2 3.45Å; S263-H266 PolarHBondContact O-N 3.16Å | ||
| 264 | P | 94.7 | Very high | 91.8 | Very high | 8 Ų | 8 | 25.7 Ų | 25.7 | 5% | 0.052 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -29.6 | -177.7 | -22.7 | 32.7 | 0 | 0 | 0 | 113.4 | P201 T202 C203 G252 N254 | P201-P264 WeakPolarHBondContact O-CA 3.21Å; T202-P264 CarbonylContact C-O 3.56Å; C203-P264 HydrophobicContact CB-CB 3.62Å; C203-P264 PolarHBondContact N-O 2.79Å; C203-P264 VanDerWaalsContact SG-CB 3.57Å; G252-P264 WeakPolarHBondContact O-CB 3.39Å; N254-P264 WeakPolarHBondContact ND2-CD 3.5Å |
| 265 | H | 95.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 28.4 | 176.6 | -71.2 | -170.8 | 0 | 0 | 0 | 113.1 | E167 C203 N206 I253 N254 K255 S263 Y267 L268 | E167-H265 IonicContact OE1-CE1 3.4Å; E167-H265 IonicContact OE1-CG 2.76Å; E167-H265 IonicContact OE1-ND1 3.11Å; E167-H265 PolarHBondContact OE1-ND1 2.89Å; C203-H265 PolarHBondContact O-NE2 2.84Å; N206-H265 PolarHBondContact OD1-CE1 2.81Å; N206-H265 VanDerWaalsContact OD1-CE1 3.26Å; N206-H265 PolarHBondContact OD1-NE2 3.07Å; I253-H265 PolarHBondContact O-ND1 2.77Å; N254-H265 WeakPolarHBondContact O-CB 3.36Å; N254-H265 PolarHBondContact O-N 2.67Å; K255-H265 HydrophobicContact CD-CB 4.37Å; K255-H265 HydrophobicContact CG-CB 3.5Å; K255-H265 VanDerWaalsContact CG-CB 3.5Å; S263-H265 PolarHBondContact O-N 3.08Å; H265-Y267 HydrophobicContact CB-CE1 4.43Å; H265-Y267 PolarHBondContact O-N 3.19Å; H265-L268 PolarHBondContact O-N 3.41Å |
| 266 | H | 93.4 | Very high | 92.1 | Very high | 41 Ų | 41 | 26 Ų | 26 | 19% | 0.19 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -44 | -34 | -179.3 | 67.8 | 95.1 | 0 | 0 | 0 | 116.1 | T202 T257 T258 S260 S263 L268 H269 | T202-H266 WeakPolarHBondContact CG2-NE2 3.48Å; T202-H266 PolarHBondContact OG1-NE2 3.43Å; T257-H266 WeakPolarHBondContact O-CA 3.26Å; T257-H266 WeakPolarHBondContact O-CB 3.42Å; T258-H266 PolarHBondContact O-ND1 3.48Å; S260-H266 VanDerWaalsContact CA-CD2 3.45Å; S260-H266 WeakPolarHBondContact CA-CD2 3.27Å; S260-H266 VanDerWaalsContact CB-CD2 3.43Å; S260-H266 WeakPolarHBondContact CB-CD2 3.44Å; S260-H266 WeakPolarHBondContact CB-NE2 3.27Å; S263-H266 WeakPolarHBondContact O-CB 3.43Å; S263-H266 PolarHBondContact O-CD2 3.45Å; S263-H266 PolarHBondContact O-N 3.16Å; H266-L268 PolarHBondContact O-N 3.16Å; H266-L268 VanDerWaalsContact O-N 3.14Å; H266-H269 WeakPolarHBondContact O-CB 3.35Å; H266-H269 PolarHBondContact O-N 3.39Å |
| 267 | Y | 94 | Very high | 92.4 | Very high | 74 Ų | 74 | 26.9 Ų | 26.9 | 29% | 0.29 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -67.6 | -10 | 179.4 | 62.3 | -88.5 | 0 | 0 | 0 | 114.5 | T202 R204 H265 | T202-Y267 HydrophobicContact CG2-CD1 3.7Å; T202-Y267 HydrophobicContact CG2-CE1 3.89Å; R204-Y267 HydrophobicContact CG-CD1 4.17Å; R204-Y267 HydrophobicContact CG-CE1 3.52Å; R204-Y267 HydrophobicContact CG-CE2 4.24Å; H265-Y267 HydrophobicContact CB-CE1 4.43Å; H265-Y267 PolarHBondContact O-N 3.19Å |
| 268 | L | 95.4 | Very high | 92.8 | Very high | 31 Ų | 31 | 31 Ų | 31 | 16% | 0.162 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -105.1 | -2.7 | 172.5 | -62.4 | 177.6 | 0 | 0 | 0 | 113 | V166 E167 K255 H265 H266 V270 E271 A272 | V166-L268 HydrophobicContact CG1-CB 4.05Å; V166-L268 HydrophobicContact CG1-CD1 4.18Å; V166-L268 HydrophobicContact CG1-CD2 4.1Å; V166-L268 HydrophobicContact CG1-CG 4.33Å; E167-L268 HydrophobicContact CG-CD1 3.48Å; E167-L268 VanDerWaalsContact CG-CD1 3.48Å; K255-L268 HydrophobicContact CD-CB 3.65Å; K255-L268 HydrophobicContact CD-CD1 4.24Å; K255-L268 HydrophobicContact CG-CB 4Å; H265-L268 PolarHBondContact O-N 3.41Å; H266-L268 PolarHBondContact O-N 3.16Å; H266-L268 VanDerWaalsContact O-N 3.14Å; L268-V270 PolarHBondContact O-N 3.03Å; L268-E271 PolarHBondContact O-N 2.97Å; L268-A272 PolarHBondContact O-N 3.24Å; L268-A272 VanDerWaalsContact O-N 3.14Å |
| 269 | H | 92.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -50.2 | -54.7 | -175.4 | 170.3 | 60.4 | 0 | 0 | 0 | 111.5 | M29 G30 F31 Y47 K255 D256 H266 E271 A272 A273 | M29-H269 PolarHBondContact O-CD2 2.83Å; M29-H269 PolarHBondContact O-NE2 3.25Å; G30-H269 WeakPolarHBondContact CA-CD2 3.48Å; G30-H269 WeakPolarHBondContact CA-CE1 3.44Å; G30-H269 WeakPolarHBondContact CA-NE2 3.38Å; G30-H269 PolarHBondContact N-CD2 3.09Å; G30-H269 VanDerWaalsContact N-CD2 3.26Å; G30-H269 PolarHBondContact N-NE2 2.86Å; F31-H269 AromaticContact CD2-CE1 3.24Å; F31-H269 WeakPolarHBondContact CD2-CE1 3.5Å; F31-H269 AromaticContact CD2-ND1 3.59Å; F31-H269 AromaticContact CE2-CE1 3.6Å; F31-H269 AromaticContact CG-CE1 3.97Å; F31-H269 PolarHBondContact N-CE1 3.03Å; Y47-H269 AromaticContact CD2-NE2 3.58Å; K255-H269 PolarHBondContact O-ND1 3.06Å; D256-H269 PolarHBondContact O-ND1 2.88Å; H266-H269 WeakPolarHBondContact O-CB 3.35Å; H266-H269 PolarHBondContact O-N 3.39Å; H269-E271 PolarHBondContact O-N 2.85Å; H269-E271 VanDerWaalsContact O-N 3.14Å; H269-A272 WeakPolarHBondContact O-CA 3.42Å; H269-A272 WeakPolarHBondContact O-CB 3.41Å; H269-A272 PolarHBondContact O-N 2.88Å; H269-A273 VanDerWaalsContact CE1-CB 3.49Å; H269-A273 WeakPolarHBondContact CE1-CB 3.33Å; H269-A273 VanDerWaalsContact NE2-CB 3.26Å; H269-A273 WeakPolarHBondContact NE2-CB 3.42Å; H269-A273 PolarHBondContact O-N 3.21Å |
| 270 | V | 91.6 | Very high | 93.7 | Very high | 67 Ų | 67 | 28.8 Ų | 28.8 | 41% | 0.406 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61 | -32.1 | -171.4 | 176.1 | 0 | 0 | 0 | 0 | 111.6 | Y47 L268 G274 | Y47-V270 HydrophobicContact CE2-CG1 4.43Å; L268-V270 PolarHBondContact O-N 3.03Å; V270-G274 PolarHBondContact O-N 3Å |
| 271 | E | 94.4 | Very high | 94.1 | Very high | 59 Ų | 59 | 28 Ų | 28 | 28% | 0.276 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -72.2 | -43.6 | 175.8 | -173.8 | 169.6 | 150.5 | 0 | 0 | 111.8 | V166 K171 L268 H269 G274 L275 | V166-E271 HydrophobicContact CG1-CB 4.06Å; V166-E271 HydrophobicContact CG1-CG 3.85Å; V166-E271 HydrophobicContact CG2-CG 4.47Å; K171-E271 VanDerWaalsContact CD-OE1 3.29Å; K171-E271 WeakPolarHBondContact CD-OE1 3.39Å; K171-E271 WeakPolarHBondContact CE-OE1 3.31Å; K171-E271 IonicContact NZ-OE1 2.72Å; K171-E271 PolarHBondContact NZ-OE1 2.95Å; K171-E271 IonicContact NZ-OE2 3.77Å; K171-E271 PolarHBondContact NZ-OE2 2.89Å; L268-E271 PolarHBondContact O-N 2.97Å; H269-E271 PolarHBondContact O-N 2.85Å; H269-E271 VanDerWaalsContact O-N 3.14Å; E271-G274 PolarHBondContact O-N 3.22Å; E271-L275 PolarHBondContact O-N 3.06Å; E271-L275 VanDerWaalsContact O-N 3.08Å |
| 272 | A | 95.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.9 | -46.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F31 Y160 V166 K255 L268 H269 G274 L275 A276 | F31-A272 HydrophobicContact CE2-CB 3.81Å; F31-A272 HydrophobicContact CZ-CB 4.43Å; Y160-A272 VanDerWaalsContact O-CB 3.26Å; Y160-A272 WeakPolarHBondContact O-CB 3.42Å; V166-A272 HydrophobicContact CG2-CB 4.07Å; K255-A272 HydrophobicContact CB-CB 4.32Å; K255-A272 HydrophobicContact CD-CB 4.3Å; L268-A272 PolarHBondContact O-N 3.24Å; L268-A272 VanDerWaalsContact O-N 3.14Å; H269-A272 WeakPolarHBondContact O-CA 3.42Å; H269-A272 WeakPolarHBondContact O-CB 3.41Å; H269-A272 PolarHBondContact O-N 2.88Å; A272-G274 PolarHBondContact O-N 3.28Å; A272-L275 PolarHBondContact O-N 2.83Å; A272-A276 WeakPolarHBondContact O-CB 3.48Å; A272-A276 PolarHBondContact O-N 2.92Å |
| 273 | A | 93.7 | Very high | 95 | Very high | 2 Ų | 2 | 24 Ų | 24 | 2% | 0.017 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.2 | -37.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F31 Y47 I52 H269 A276 A277 | F31-A273 HydrophobicContact CE2-CB 4.05Å; F31-A273 HydrophobicContact CZ-CB 4.01Å; Y47-A273 HydrophobicContact CD2-CB 3.27Å; Y47-A273 HydrophobicContact CE2-CB 3.95Å; Y47-A273 HydrophobicContact CG-CB 3.93Å; I52-A273 HydrophobicContact CD1-CB 4.2Å; H269-A273 VanDerWaalsContact CE1-CB 3.49Å; H269-A273 WeakPolarHBondContact CE1-CB 3.33Å; H269-A273 VanDerWaalsContact NE2-CB 3.26Å; H269-A273 WeakPolarHBondContact NE2-CB 3.42Å; H269-A273 PolarHBondContact O-N 3.21Å; A273-A276 PolarHBondContact O-N 2.99Å; A273-A277 WeakPolarHBondContact O-CB 3.32Å; A273-A277 PolarHBondContact O-N 2.86Å |
| 274 | G | 94.3 | Very high | 95.2 | Very high | 32 Ų | 32 | 24 Ų | 24 | 33% | 0.33 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -57.5 | -48.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V270 E271 A272 A277 I278 | V270-G274 PolarHBondContact O-N 3Å; E271-G274 PolarHBondContact O-N 3.22Å; A272-G274 PolarHBondContact O-N 3.28Å; G274-A277 PolarHBondContact O-N 2.66Å; G274-I278 WeakPolarHBondContact O-CD1 3.37Å; G274-I278 VanDerWaalsContact O-CG1 3.27Å; G274-I278 WeakPolarHBondContact O-CG1 3.38Å; G274-I278 PolarHBondContact O-N 2.87Å; G274-I278 VanDerWaalsContact O-N 3.07Å |
| 275 | L | 96.9 | Very high | 95.2 | Very high | 8 Ų | 8 | 26.6 Ų | 26.6 | 4% | 0.042 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.3 | -45 | 177.5 | -67.8 | 177.6 | 0 | 0 | 0 | 112.5 | Y160 V166 I173 E271 A272 A277 I278 A279 | Y160-L275 HydrophobicContact CD1-CB 3.49Å; Y160-L275 VanDerWaalsContact CD1-CB 3.49Å; Y160-L275 HydrophobicContact CD1-CD1 3.86Å; Y160-L275 HydrophobicContact CD1-CG 4.34Å; Y160-L275 HydrophobicContact CE1-CB 3.69Å; Y160-L275 HydrophobicContact CE1-CD1 4.1Å; Y160-L275 HydrophobicContact CE1-CG 4.47Å; Y160-L275 HydrophobicContact CG-CB 4.02Å; V166-L275 HydrophobicContact CG2-CD1 4.04Å; I173-L275 WeakPolarHBondContact CG2-O 3.45Å; E271-L275 PolarHBondContact O-N 3.06Å; E271-L275 VanDerWaalsContact O-N 3.08Å; A272-L275 PolarHBondContact O-N 2.83Å; L275-A277 VanDerWaalsContact C-N 3.34Å; L275-A277 PolarHBondContact O-N 2.72Å; L275-I278 PolarHBondContact O-N 3.44Å; L275-A279 WeakPolarHBondContact O-CB 3.38Å; L275-A279 PolarHBondContact O-N 2.92Å |
| 276 | A | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.7 | -37 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | F31 Q157 Y160 A272 A273 A279 T280 | F31-A276 HydrophobicContact CE1-CB 3.55Å; F31-A276 HydrophobicContact CZ-CB 3.46Å; F31-A276 VanDerWaalsContact CZ-CB 3.46Å; Q157-A276 HydrophobicContact CB-CB 4.22Å; Q157-A276 HydrophobicContact CG-CB 4.01Å; Y160-A276 HydrophobicContact CD2-CB 3.83Å; Y160-A276 HydrophobicContact CG-CB 4.3Å; A272-A276 WeakPolarHBondContact O-CB 3.48Å; A272-A276 PolarHBondContact O-N 2.92Å; A273-A276 PolarHBondContact O-N 2.99Å; A276-A279 PolarHBondContact O-N 3.01Å; A276-T280 WeakPolarHBondContact O-CB 3.33Å; A276-T280 PolarHBondContact O-N 2.94Å; A276-T280 PolarHBondContact O-OG1 3.46Å |
| 277 | A | 95.6 | Very high | 95 | Very high | 23 Ų | 23 | 25.1 Ų | 25.1 | 19% | 0.19 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68.3 | -36.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I52 A273 G274 L275 Q281 | I52-A277 HydrophobicContact CG2-CB 3.88Å; A273-A277 WeakPolarHBondContact O-CB 3.32Å; A273-A277 PolarHBondContact O-N 2.86Å; G274-A277 PolarHBondContact O-N 2.66Å; L275-A277 VanDerWaalsContact C-N 3.34Å; L275-A277 PolarHBondContact O-N 2.72Å; A277-Q281 WeakPolarHBondContact O-CB 3.35Å; A277-Q281 VanDerWaalsContact O-CG 3.26Å; A277-Q281 WeakPolarHBondContact O-CG 3.41Å; A277-Q281 PolarHBondContact O-N 3.03Å; A277-Q281 VanDerWaalsContact O-N 3.12Å; A277-Q281 PolarHBondContact O-NE2 2.84Å |
| 278 | I | 96.2 | Very high | 95 | Very high | 86 Ų | 86 | 23.7 Ų | 23.7 | 44% | 0.441 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -66.2 | -45.9 | 171.8 | -67.1 | 164 | 0 | 0 | 0 | 109.9 | I173 G274 L275 Q281 T282 | I173-I278 HydrophobicContact CG2-CB 4.03Å; I173-I278 HydrophobicContact CG2-CG2 3.74Å; G274-I278 WeakPolarHBondContact O-CD1 3.37Å; G274-I278 VanDerWaalsContact O-CG1 3.27Å; G274-I278 WeakPolarHBondContact O-CG1 3.38Å; G274-I278 PolarHBondContact O-N 2.87Å; G274-I278 VanDerWaalsContact O-N 3.07Å; L275-I278 PolarHBondContact O-N 3.44Å; I278-Q281 PolarHBondContact O-N 3.3Å; I278-T282 WeakPolarHBondContact O-CB 3.42Å; I278-T282 PolarHBondContact O-N 3Å; I278-T282 PolarHBondContact O-OG1 3.26Å |
| 279 | A | 96.7 | Very high | 94.6 | Very high | 5 Ų | 5 | 23.1 Ų | 23.1 | 4% | 0.041 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.1 | -46.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L156 Y160 I173 L275 A276 Q281 T282 A283 | L156-A279 HydrophobicContact CD1-CB 4.11Å; L156-A279 HydrophobicContact CD2-CB 4.07Å; L156-A279 HydrophobicContact CG-CB 4.02Å; Y160-A279 HydrophobicContact CE2-CB 3.75Å; I173-A279 HydrophobicContact CB-CB 4.45Å; I173-A279 HydrophobicContact CG2-CB 3.89Å; L275-A279 WeakPolarHBondContact O-CB 3.38Å; L275-A279 PolarHBondContact O-N 2.92Å; A276-A279 PolarHBondContact O-N 3.01Å; A279-Q281 PolarHBondContact O-N 3.26Å; A279-T282 PolarHBondContact O-N 3.26Å; A279-A283 PolarHBondContact O-N 3.45Å |
| 280 | T | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.3 | -45.7 | 176.5 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | A56 F153 Q157 A276 L284 | A56-T280 HydrophobicContact CB-CG2 3.62Å; F153-T280 HydrophobicContact CD1-CG2 3.78Å; F153-T280 HydrophobicContact CD2-CG2 4.14Å; F153-T280 HydrophobicContact CE1-CG2 3.89Å; F153-T280 HydrophobicContact CE2-CG2 4.21Å; F153-T280 HydrophobicContact CG-CG2 3.93Å; F153-T280 HydrophobicContact CZ-CG2 4.11Å; Q157-T280 PolarHBondContact NE2-OG1 2.92Å; A276-T280 WeakPolarHBondContact O-CB 3.33Å; A276-T280 PolarHBondContact O-N 2.94Å; A276-T280 PolarHBondContact O-OG1 3.46Å; T280-L284 PolarHBondContact O-N 3.17Å; T280-L284 VanDerWaalsContact O-N 3.12Å |
| 281 | Q | 97 | Very high | 94.2 | Very high | 28 Ų | 28 | 21.8 Ų | 21.8 | 13% | 0.131 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.4 | -37.6 | 175.6 | -73.6 | 167.7 | 62.3 | 0 | 0 | 112.7 | A56 V60 A277 I278 A279 L284 R285 | A56-Q281 HydrophobicContact CB-CG 3.75Å; V60-Q281 HydrophobicContact CG2-CB 4.43Å; A277-Q281 WeakPolarHBondContact O-CB 3.35Å; A277-Q281 VanDerWaalsContact O-CG 3.26Å; A277-Q281 WeakPolarHBondContact O-CG 3.41Å; A277-Q281 PolarHBondContact O-N 3.03Å; A277-Q281 VanDerWaalsContact O-N 3.12Å; A277-Q281 PolarHBondContact O-NE2 2.84Å; I278-Q281 PolarHBondContact O-N 3.3Å; A279-Q281 PolarHBondContact O-N 3.26Å; Q281-L284 PolarHBondContact O-N 3.22Å; Q281-R285 WeakPolarHBondContact O-CG 3.43Å; Q281-R285 PolarHBondContact O-N 3.15Å |
| 282 | T | 94.6 | Very high | 93.9 | Very high | 36 Ų | 36 | 20.1 Ų | 20.1 | 22% | 0.221 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.1 | -46.4 | 177.4 | -61.4 | 0 | 0 | 0 | 0 | 110.8 | I173 I278 A279 L284 R285 D286 | I173-T282 HydrophobicContact CD1-CG2 4.08Å; I278-T282 WeakPolarHBondContact O-CB 3.42Å; I278-T282 PolarHBondContact O-N 3Å; I278-T282 PolarHBondContact O-OG1 3.26Å; A279-T282 PolarHBondContact O-N 3.26Å; T282-L284 VanDerWaalsContact C-N 3.29Å; T282-L284 PolarHBondContact O-N 2.88Å; T282-R285 PolarHBondContact O-N 3.1Å; T282-D286 PolarHBondContact O-N 2.84Å |
| 283 | A | 95.7 | Very high | 93.6 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 2% | 0.017 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.2 | -39.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | W130 L152 F153 L156 L178 A279 L287 | W130-A283 HydrophobicContact CZ3-CB 4.45Å; L152-A283 HydrophobicContact CD2-CB 4.41Å; F153-A283 HydrophobicContact CE1-CB 4.33Å; L156-A283 HydrophobicContact CD2-CB 4.06Å; L178-A283 HydrophobicContact CD1-CB 3.98Å; A279-A283 PolarHBondContact O-N 3.45Å; A283-L287 VanDerWaalsContact O-CB 3.24Å; A283-L287 WeakPolarHBondContact O-CB 3.41Å; A283-L287 PolarHBondContact O-N 2.86Å |
| 284 | L | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.5 | -39.5 | 172.9 | -79.2 | 168.2 | 0 | 0 | 0 | 113.5 | A56 I57 V60 L149 F153 T280 Q281 T282 L287 K288 F296 F300 | A56-L284 VanDerWaalsContact C-CD1 3.43Å; A56-L284 HydrophobicContact CB-CD1 3.75Å; A56-L284 WeakPolarHBondContact O-CD1 3.49Å; I57-L284 HydrophobicContact CG1-CD1 4.03Å; I57-L284 HydrophobicContact CG1-CD2 4.44Å; V60-L284 HydrophobicContact CB-CB 4.15Å; V60-L284 HydrophobicContact CB-CD1 4.4Å; V60-L284 HydrophobicContact CG1-CB 4.07Å; V60-L284 HydrophobicContact CG2-CB 3.96Å; V60-L284 HydrophobicContact CG2-CD1 4.25Å; L149-L284 HydrophobicContact CD2-CD2 4.33Å; F153-L284 HydrophobicContact CE1-CG 4.27Å; F153-L284 HydrophobicContact CE2-CD2 4.41Å; F153-L284 HydrophobicContact CE2-CG 4.49Å; F153-L284 HydrophobicContact CZ-CD1 4.08Å; F153-L284 HydrophobicContact CZ-CD2 3.67Å; F153-L284 HydrophobicContact CZ-CG 3.6Å; T280-L284 PolarHBondContact O-N 3.17Å; T280-L284 VanDerWaalsContact O-N 3.12Å; Q281-L284 PolarHBondContact O-N 3.22Å; T282-L284 VanDerWaalsContact C-N 3.29Å; T282-L284 PolarHBondContact O-N 2.88Å; L284-L287 PolarHBondContact O-N 2.92Å; L284-K288 WeakPolarHBondContact O-CB 3.14Å; L284-K288 PolarHBondContact O-N 2.92Å; L284-F296 HydrophobicContact CB-CE2 4.43Å; L284-F296 HydrophobicContact CD2-CE2 3.93Å; L284-F296 HydrophobicContact CD2-CZ 4.08Å; L284-F296 WeakPolarHBondContact O-CE2 3.43Å; L284-F300 HydrophobicContact CD2-CE2 3.98Å; L284-F300 HydrophobicContact CD2-CZ 3.74Å |
| 285 | R | 93.8 | Very high | 93.2 | Very high | 64 Ų | 64 | 28.8 Ų | 28.8 | 24% | 0.242 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.4 | -41.4 | 177.1 | -71 | -177 | -166 | 101.6 | 6.9 | 111.6 | V60 E63 Q281 T282 L287 K288 D289 | V60-R285 HydrophobicContact CG1-CG 4.07Å; V60-R285 HydrophobicContact CG2-CG 4.15Å; E63-R285 IonicContact OE1-CZ 3.7Å; E63-R285 IonicContact OE1-NE 3.87Å; E63-R285 IonicContact OE1-NH2 3.5Å; E63-R285 PolarHBondContact OE1-NH2 3.47Å; E63-R285 IonicContact OE2-CZ 3.6Å; E63-R285 IonicContact OE2-NE 3.15Å; E63-R285 PolarHBondContact OE2-NE 2.72Å; E63-R285 IonicContact OE2-NH2 3.86Å; E63-R285 PolarHBondContact OE2-NH2 2.69Å; E63-R285 VanDerWaalsContact OE2-NH2 3.16Å; Q281-R285 WeakPolarHBondContact O-CG 3.43Å; Q281-R285 PolarHBondContact O-N 3.15Å; T282-R285 PolarHBondContact O-N 3.1Å; R285-L287 VanDerWaalsContact C-N 3.31Å; R285-K288 WeakPolarHBondContact O-CB 3.42Å; R285-K288 PolarHBondContact O-N 2.71Å; R285-D289 WeakPolarHBondContact O-CB 3.42Å; R285-D289 PolarHBondContact O-N 2.93Å |
| 286 | D | 91.1 | Very high | 93.1 | Very high | 10 Ų | 10 | 28.4 Ų | 28.4 | 5% | 0.053 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.2 | -36.4 | 174.3 | -68.8 | -22.9 | 0 | 0 | 0 | 110.9 | W130 T282 D289 T290 M958 R960 | W130-D286 HydrophobicContact CH2-CB 3.84Å; W130-D286 HydrophobicContact CZ2-CB 4.46Å; T282-D286 PolarHBondContact O-N 2.84Å; D286-D289 PolarHBondContact O-N 2.9Å; D286-T290 VanDerWaalsContact O-CB 3.27Å; D286-T290 WeakPolarHBondContact O-CB 3.45Å; D286-T290 PolarHBondContact O-N 2.81Å; D286-T290 PolarHBondContact O-OG1 2.82Å; D286-M958 HydrophobicContact CB-CE 3.62Å; D286-M958 WeakPolarHBondContact OD1-CE 2.97Å; D286-R960 IonicContact OD1-CZ 2.7Å; D286-R960 IonicContact OD1-NE 3.59Å; D286-R960 IonicContact OD1-NH2 3.91Å; D286-R960 PolarHBondContact OD1-NH2 3.19Å |
| 287 | L | 93.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.9 | -49.3 | 173.4 | 176 | 61.1 | 0 | 0 | 0 | 110.5 | W130 I133 I134 L149 A283 L284 R285 D289 T290 V291 F296 L299 | W130-L287 HydrophobicContact CH2-CB 4.03Å; W130-L287 HydrophobicContact CZ3-CB 4.3Å; I133-L287 HydrophobicContact CG2-CD1 3.74Å; I133-L287 HydrophobicContact CG2-CD2 4.08Å; I134-L287 HydrophobicContact CD1-CD1 3.47Å; I134-L287 VanDerWaalsContact CD1-CD1 3.47Å; L149-L287 HydrophobicContact CD1-CD2 4.1Å; L149-L287 HydrophobicContact CD2-CD2 4.43Å; A283-L287 VanDerWaalsContact O-CB 3.24Å; A283-L287 WeakPolarHBondContact O-CB 3.41Å; A283-L287 PolarHBondContact O-N 2.86Å; L284-L287 PolarHBondContact O-N 2.92Å; R285-L287 VanDerWaalsContact C-N 3.31Å; L287-D289 VanDerWaalsContact C-N 3.33Å; L287-D289 PolarHBondContact O-N 2.77Å; L287-T290 PolarHBondContact O-N 2.81Å; L287-V291 HydrophobicContact CD1-CG1 3.83Å; L287-V291 WeakPolarHBondContact O-CG2 3.46Å; L287-V291 PolarHBondContact O-N 2.98Å; L287-F296 HydrophobicContact CG-CD2 4.37Å; L287-L299 HydrophobicContact CD2-CD2 3.8Å |
| 288 | K | 92.9 | Very high | 92.6 | Very high | 44 Ų | 44 | 28.2 Ų | 28.2 | 19% | 0.191 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -55.8 | -44.7 | 174.3 | 177.7 | -154.9 | 71.5 | 69.4 | 0 | 112.2 | V64 L284 R285 T290 G292 F296 | V64-K288 HydrophobicContact CB-CD 4.35Å; V64-K288 HydrophobicContact CG1-CD 4.35Å; V64-K288 HydrophobicContact CG2-CD 3.33Å; V64-K288 HydrophobicContact CG2-CG 3.84Å; L284-K288 WeakPolarHBondContact O-CB 3.14Å; L284-K288 PolarHBondContact O-N 2.92Å; R285-K288 WeakPolarHBondContact O-CB 3.42Å; R285-K288 PolarHBondContact O-N 2.71Å; K288-T290 VanDerWaalsContact C-N 3.28Å; K288-G292 CarbonylContact O-C 3.59Å; K288-G292 WeakPolarHBondContact O-CA 3.35Å; K288-G292 PolarHBondContact O-N 2.95Å; K288-F296 HydrophobicContact CB-CB 4.29Å; K288-F296 HydrophobicContact CB-CD1 4.49Å; K288-F296 HydrophobicContact CB-CD2 3.57Å; K288-F296 HydrophobicContact CB-CE2 3.96Å; K288-F296 HydrophobicContact CB-CG 3.86Å; K288-F296 HydrophobicContact CG-CB 4.28Å; K288-F296 HydrophobicContact CG-CD1 4.46Å; K288-F296 HydrophobicContact CG-CD2 4.33Å; K288-F296 HydrophobicContact CG-CG 4.1Å |
| 289 | D | 87.5 | Confident | 92.5 | Very high | 19 Ų | 19 | 24.1 Ų | 24.1 | 10% | 0.102 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65 | -34.2 | 176.8 | -74.7 | -14.8 | 0 | 0 | 0 | 110.8 | R285 D286 L287 Q864 L950 W952 R960 | R285-D289 WeakPolarHBondContact O-CB 3.42Å; R285-D289 PolarHBondContact O-N 2.93Å; D286-D289 PolarHBondContact O-N 2.9Å; L287-D289 VanDerWaalsContact C-N 3.33Å; L287-D289 PolarHBondContact O-N 2.77Å; D289-Q864 PolarHBondContact OD1-NE2 3.12Å; D289-L950 HydrophobicContact CB-CD1 4.03Å; D289-W952 WeakPolarHBondContact O-CZ2 3.45Å; D289-R960 IonicContact OD2-CZ 3.48Å; D289-R960 IonicContact OD2-NH1 2.69Å; D289-R960 IonicContact OD2-NH2 3.14Å; D289-R960 PolarHBondContact OD2-NH2 2.84Å |
| 290 | T | 86.2 | Confident | 92.3 | Very high | 13 Ų | 13 | 23.9 Ų | 23.9 | 8% | 0.08 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -80.1 | -38.3 | -177.3 | -57.5 | 0 | 0 | 0 | 0 | 115 | I134 D286 L287 K288 G956 M958 | I134-T290 HydrophobicContact CD1-CG2 3.59Å; I134-T290 HydrophobicContact CG1-CG2 4.22Å; I134-T290 HydrophobicContact CG2-CG2 4.39Å; D286-T290 VanDerWaalsContact O-CB 3.27Å; D286-T290 WeakPolarHBondContact O-CB 3.45Å; D286-T290 PolarHBondContact O-N 2.81Å; D286-T290 PolarHBondContact O-OG1 2.82Å; L287-T290 PolarHBondContact O-N 2.81Å; K288-T290 VanDerWaalsContact C-N 3.28Å; T290-G956 WeakPolarHBondContact CG2-O 3.5Å; T290-M958 WeakPolarHBondContact OG1-CB 3.35Å |
| 291 | V | 89.4 | Confident | 91.9 | Very high | 27 Ų | 27 | 24.7 Ų | 24.7 | 16% | 0.164 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -100 | -11.5 | -179.3 | -51.5 | 0 | 0 | 0 | 0 | 113.1 | I134 V137 L287 A295 F296 | I134-V291 HydrophobicContact CD1-CG1 3.78Å; V137-V291 HydrophobicContact CB-CG1 4.15Å; V137-V291 HydrophobicContact CG1-CB 3.73Å; V137-V291 HydrophobicContact CG1-CG1 3.68Å; V137-V291 HydrophobicContact CG1-CG2 3.96Å; L287-V291 HydrophobicContact CD1-CG1 3.83Å; L287-V291 WeakPolarHBondContact O-CG2 3.46Å; L287-V291 PolarHBondContact O-N 2.98Å; V291-A295 HydrophobicContact CB-CB 4.08Å; V291-A295 HydrophobicContact CG2-CB 3.95Å; V291-A295 WeakPolarHBondContact O-CB 3.33Å; V291-F296 HydrophobicContact CG2-CB 4.16Å |
| 292 | G | 88.6 | Confident | 91.4 | Very high | 23 Ų | 23 | 23.4 Ų | 23.4 | 24% | 0.237 | 13% | 0.128 | C | C | . | . | trans | 81.6 | 155.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | K288 K294 A295 F296 | K288-G292 CarbonylContact O-C 3.59Å; K288-G292 WeakPolarHBondContact O-CA 3.35Å; K288-G292 PolarHBondContact O-N 2.95Å; G292-K294 VanDerWaalsContact C-N 3.33Å; G292-K294 PolarHBondContact O-N 3.25Å; G292-A295 PolarHBondContact O-N 2.98Å; G292-F296 WeakPolarHBondContact O-CB 3.49Å; G292-F296 PolarHBondContact O-N 2.91Å | ||
| 293 | P | 89.5 | Confident | 90.7 | Very high | 63 Ų | 63 | 26 Ų | 26 | 41% | 0.409 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -62.3 | -34.9 | -172.1 | 24.1 | -34.3 | 0 | 0 | 0 | 113.4 | V64 F296 L297 | V64-P293 HydrophobicContact CG1-CB 3.69Å; P293-F296 PolarHBondContact O-N 3.22Å; P293-L297 WeakPolarHBondContact O-CB 3.32Å; P293-L297 VanDerWaalsContact O-CG 3.27Å; P293-L297 WeakPolarHBondContact O-CG 3.23Å; P293-L297 PolarHBondContact O-N 2.97Å |
| 294 | K | 87.9 | Confident | 89.9 | Confident | 132 Ų | 132 | 27.4 Ų | 27.4 | 57% | 0.574 | 14% | 0.14 | S | C | * | . | H | α-helix | trans | -63.9 | -47.3 | 177.9 | -172.8 | -179.5 | 178.5 | -175.2 | 0 | 111.7 | G292 K298 | G292-K294 VanDerWaalsContact C-N 3.33Å; G292-K294 PolarHBondContact O-N 3.25Å; K294-K298 WeakPolarHBondContact O-CB 3.27Å; K294-K298 WeakPolarHBondContact O-CG 3.23Å; K294-K298 PolarHBondContact O-N 3.32Å |
| 295 | A | 91.3 | Very high | 89 | Confident | 22 Ų | 22 | 27.8 Ų | 27.8 | 18% | 0.182 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -71.3 | -33.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | V137 V291 G292 K298 L299 | V137-A295 HydrophobicContact CG1-CB 4.01Å; V291-A295 HydrophobicContact CB-CB 4.08Å; V291-A295 HydrophobicContact CG2-CB 3.95Å; V291-A295 WeakPolarHBondContact O-CB 3.33Å; G292-A295 PolarHBondContact O-N 2.98Å; A295-K298 PolarHBondContact O-N 2.84Å; A295-L299 PolarHBondContact O-N 3.45Å |
| 296 | F | 94.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.9 | -48.4 | 173.5 | -177 | -86.8 | 0 | 0 | 0 | 112.4 | V60 V64 L284 L287 K288 V291 G292 P293 K298 L299 F300 | V60-F296 HydrophobicContact CB-CZ 4.32Å; V60-F296 HydrophobicContact CG1-CE1 4.19Å; V60-F296 HydrophobicContact CG1-CE2 4.42Å; V60-F296 HydrophobicContact CG1-CZ 3.68Å; V64-F296 HydrophobicContact CB-CD1 4.43Å; V64-F296 HydrophobicContact CG1-CD1 4.49Å; V64-F296 HydrophobicContact CG2-CD1 3.65Å; V64-F296 HydrophobicContact CG2-CE1 3.62Å; V64-F296 HydrophobicContact CG2-CZ 4.48Å; L284-F296 HydrophobicContact CB-CE2 4.43Å; L284-F296 HydrophobicContact CD2-CE2 3.93Å; L284-F296 HydrophobicContact CD2-CZ 4.08Å; L284-F296 WeakPolarHBondContact O-CE2 3.43Å; L287-F296 HydrophobicContact CG-CD2 4.37Å; K288-F296 HydrophobicContact CB-CB 4.29Å; K288-F296 HydrophobicContact CB-CD1 4.49Å; K288-F296 HydrophobicContact CB-CD2 3.57Å; K288-F296 HydrophobicContact CB-CE2 3.96Å; K288-F296 HydrophobicContact CB-CG 3.86Å; K288-F296 HydrophobicContact CG-CB 4.28Å; K288-F296 HydrophobicContact CG-CD1 4.46Å; K288-F296 HydrophobicContact CG-CD2 4.33Å; K288-F296 HydrophobicContact CG-CG 4.1Å; V291-F296 HydrophobicContact CG2-CB 4.16Å; G292-F296 WeakPolarHBondContact O-CB 3.49Å; G292-F296 PolarHBondContact O-N 2.91Å; P293-F296 PolarHBondContact O-N 3.22Å; F296-K298 PolarHBondContact O-N 2.79Å; F296-L299 PolarHBondContact O-N 3.3Å; F296-F300 HydrophobicContact CD1-CD2 4.37Å; F296-F300 HydrophobicContact CD2-CE2 4.28Å; F296-F300 AromaticContact CE1-CD2 4Å; F296-F300 HydrophobicContact CE1-CD2 4Å; F296-F300 HydrophobicContact CE1-CE2 4.06Å; F296-F300 HydrophobicContact CE2-CD2 4.4Å; F296-F300 AromaticContact CE2-CE2 3.73Å; F296-F300 HydrophobicContact CE2-CE2 3.73Å; F296-F300 HydrophobicContact CZ-CD2 4.02Å; F296-F300 AromaticContact CZ-CE2 3.6Å; F296-F300 HydrophobicContact CZ-CE2 3.6Å; F296-F300 WeakPolarHBondContact O-CD2 3.45Å; F296-F300 PolarHBondContact O-N 3.23Å |
| 297 | L | 91.9 | Very high | 88 | Confident | 6 Ų | 6 | 26.1 Ų | 26.1 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.5 | -30 | 173.9 | -68 | 174.5 | 0 | 0 | 0 | 111.5 | V64 L65 P293 S301 V302 | V64-L297 HydrophobicContact CB-CD2 4.17Å; V64-L297 HydrophobicContact CG1-CD1 4.2Å; V64-L297 HydrophobicContact CG1-CD2 4.02Å; V64-L297 HydrophobicContact CG1-CG 3.95Å; L65-L297 HydrophobicContact CD2-CD1 4.06Å; L65-L297 HydrophobicContact CD2-CD2 3.89Å; L65-L297 HydrophobicContact CG-CD2 4Å; P293-L297 WeakPolarHBondContact O-CB 3.32Å; P293-L297 VanDerWaalsContact O-CG 3.27Å; P293-L297 WeakPolarHBondContact O-CG 3.23Å; P293-L297 PolarHBondContact O-N 2.97Å; L297-S301 PolarHBondContact O-N 3.43Å; L297-V302 HydrophobicContact CB-CB 4.3Å; L297-V302 HydrophobicContact CD2-CB 3.94Å; L297-V302 HydrophobicContact CD2-CG1 4Å; L297-V302 HydrophobicContact CD2-CG2 3.9Å; L297-V302 PolarHBondContact O-N 3.12Å |
| 298 | K | 90.7 | Very high | 87.7 | Confident | 12 Ų | 12 | 26.1 Ų | 26.1 | 5% | 0.052 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -70.9 | -41.4 | 174.1 | -81.1 | -164.3 | 156 | -152.1 | 0 | 114.5 | Y142 K294 A295 F296 F300 S301 Q304 D363 | Y142-K298 HydrophobicContact CE1-CB 4.1Å; Y142-K298 HydrophobicContact CE2-CB 4Å; Y142-K298 HydrophobicContact CE2-CD 4.33Å; Y142-K298 WeakPolarHBondContact OH-CB 3.28Å; Y142-K298 WeakPolarHBondContact OH-CD 3.37Å; K294-K298 WeakPolarHBondContact O-CB 3.27Å; K294-K298 WeakPolarHBondContact O-CG 3.23Å; K294-K298 PolarHBondContact O-N 3.32Å; A295-K298 PolarHBondContact O-N 2.84Å; F296-K298 PolarHBondContact O-N 2.79Å; K298-F300 PolarHBondContact O-N 2.89Å; K298-S301 PolarHBondContact O-N 3.46Å; K298-Q304 VanDerWaalsContact CA-NE2 3.31Å; K298-Q304 PolarHBondContact O-NE2 3.19Å; K298-D363 IonicContact NZ-OD1 3.67Å; K298-D363 PolarHBondContact NZ-OD1 2.79Å; K298-D363 IonicContact NZ-OD2 2.66Å; K298-D363 PolarHBondContact NZ-OD2 2.87Å |
| 299 | L | 93.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -54.4 | -36 | 175.8 | 174.2 | 62.6 | 0 | 0 | 0 | 112.4 | V137 Y142 A145 R146 L149 L287 A295 F296 | V137-L299 HydrophobicContact CG2-CD1 4.07Å; V137-L299 HydrophobicContact CG2-CD2 4.12Å; Y142-L299 HydrophobicContact CD1-CB 4.06Å; Y142-L299 HydrophobicContact CD1-CD1 4.09Å; Y142-L299 HydrophobicContact CE1-CB 4.49Å; A145-L299 HydrophobicContact CB-CD1 3.54Å; R146-L299 WeakPolarHBondContact CD-O 3.47Å; R146-L299 HydrophobicContact CG-CD1 3.79Å; R146-L299 HydrophobicContact CG-CG 4.47Å; L149-L299 HydrophobicContact CD2-CD2 4.41Å; L287-L299 HydrophobicContact CD2-CD2 3.8Å; A295-L299 PolarHBondContact O-N 3.45Å; F296-L299 PolarHBondContact O-N 3.3Å |
| 300 | F | 93.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 18.3 | 177.9 | -60.9 | -71.1 | 0 | 0 | 0 | 113.9 | I57 F86 V93 L149 L284 F296 K298 V302 | I57-F300 HydrophobicContact CB-CE1 4.34Å; I57-F300 HydrophobicContact CD1-CE1 3.79Å; I57-F300 HydrophobicContact CD1-CZ 4.4Å; I57-F300 HydrophobicContact CG1-CE1 3.82Å; I57-F300 HydrophobicContact CG1-CZ 4.01Å; I57-F300 HydrophobicContact CG2-CD1 3.53Å; I57-F300 HydrophobicContact CG2-CD2 4.33Å; I57-F300 HydrophobicContact CG2-CE1 3.52Å; I57-F300 HydrophobicContact CG2-CE2 4.32Å; I57-F300 HydrophobicContact CG2-CG 3.95Å; I57-F300 HydrophobicContact CG2-CZ 3.94Å; F86-F300 WeakPolarHBondContact CA-O 3.35Å; F86-F300 WeakPolarHBondContact CB-O 3.41Å; F86-F300 HydrophobicContact CD2-CB 3.93Å; F86-F300 WeakPolarHBondContact CD2-O 3.11Å; F86-F300 HydrophobicContact CE2-CB 4.13Å; V93-F300 HydrophobicContact CG2-CE1 4.13Å; L149-F300 HydrophobicContact CD2-CE1 4.11Å; L149-F300 HydrophobicContact CD2-CZ 3.64Å; L284-F300 HydrophobicContact CD2-CE2 3.98Å; L284-F300 HydrophobicContact CD2-CZ 3.74Å; F296-F300 HydrophobicContact CD1-CD2 4.37Å; F296-F300 HydrophobicContact CD2-CE2 4.28Å; F296-F300 AromaticContact CE1-CD2 4Å; F296-F300 HydrophobicContact CE1-CD2 4Å; F296-F300 HydrophobicContact CE1-CE2 4.06Å; F296-F300 HydrophobicContact CE2-CD2 4.4Å; F296-F300 AromaticContact CE2-CE2 3.73Å; F296-F300 HydrophobicContact CE2-CE2 3.73Å; F296-F300 HydrophobicContact CZ-CD2 4.02Å; F296-F300 AromaticContact CZ-CE2 3.6Å; F296-F300 HydrophobicContact CZ-CE2 3.6Å; F296-F300 WeakPolarHBondContact O-CD2 3.45Å; F296-F300 PolarHBondContact O-N 3.23Å; K298-F300 PolarHBondContact O-N 2.89Å; F300-V302 HydrophobicContact CB-CG2 3.97Å; F300-V302 PolarHBondContact O-N 3.48Å |
| 301 | S | 89.1 | Confident | 88.7 | Confident | 17 Ų | 17 | 22.5 Ų | 22.5 | 12% | 0.119 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 31.5 | 175.9 | -60.6 | 0 | 0 | 0 | 0 | 115.7 | G85 L297 K298 R303 Q304 | G85-S301 VanDerWaalsContact C-CB 3.49Å; G85-S301 WeakPolarHBondContact O-CB 3.27Å; L297-S301 PolarHBondContact O-N 3.43Å; K298-S301 PolarHBondContact O-N 3.46Å; S301-R303 PolarHBondContact O-N 2.87Å; S301-Q304 PolarHBondContact O-N 3.43Å |
| 302 | V | 87.6 | Confident | 89 | Confident | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.012 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | 116.6 | -171.9 | -179.4 | 0 | 0 | 0 | 0 | 110.1 | L65 L82 F86 L297 F300 Q304 | L65-V302 HydrophobicContact CD1-CG1 3.71Å; L65-V302 HydrophobicContact CD2-CG1 3.9Å; L65-V302 HydrophobicContact CG-CG1 4.05Å; L82-V302 HydrophobicContact CD2-CG1 4.14Å; F86-V302 HydrophobicContact CD2-CG2 3.62Å; F86-V302 HydrophobicContact CE2-CG2 4.19Å; L297-V302 HydrophobicContact CB-CB 4.3Å; L297-V302 HydrophobicContact CD2-CB 3.94Å; L297-V302 HydrophobicContact CD2-CG1 4Å; L297-V302 HydrophobicContact CD2-CG2 3.9Å; L297-V302 PolarHBondContact O-N 3.12Å; F300-V302 HydrophobicContact CB-CG2 3.97Å; F300-V302 PolarHBondContact O-N 3.48Å; V302-Q304 PolarHBondContact O-N 2.95Å; V302-Q304 VanDerWaalsContact O-N 3.17Å |
| 303 | R | 79.8 | Confident | 89.3 | Confident | 90 Ų | 90 | 20.1 Ų | 20.1 | 34% | 0.34 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 32.5 | -179.1 | -60.2 | 178.7 | 169.5 | -165.5 | -8.7 | 114.2 | Y81 L82 S301 Q342 | Y81-R303 WeakPolarHBondContact O-CG 3.29Å; Y81-R303 PolarHBondContact O-NE 2.99Å; Y81-R303 PolarHBondContact O-NH2 3.3Å; L82-R303 PolarHBondContact O-N 3.07Å; S301-R303 PolarHBondContact O-N 2.87Å; R303-Q342 PolarHBondContact O-N 3.12Å |
| 304 | Q | 78.4 | Confident | 89.5 | Confident | 32 Ų | 32 | 17.7 Ų | 17.7 | 15% | 0.15 | 9% | 0.089 | C | C | . | . | B | Isolated β-bridge | trans | -81.3 | 136.3 | 170.9 | -72.6 | -175.2 | 30 | 0 | 0 | 110.5 | K298 S301 V302 | K298-Q304 VanDerWaalsContact CA-NE2 3.31Å; K298-Q304 PolarHBondContact O-NE2 3.19Å; S301-Q304 PolarHBondContact O-N 3.43Å; V302-Q304 PolarHBondContact O-N 2.95Å; V302-Q304 VanDerWaalsContact O-N 3.17Å |
| 305 | A | 77.1 | Confident | 89.7 | Confident | 7 Ų | 7 | 11.8 Ų | 11.8 | 6% | 0.058 | 6% | 0.063 | C | C | . | . | P | Polyproline II helix | trans | -68.3 | 152.1 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q342 G344 V496 | A305-Q342 PolarHBondContact N-O 2.77Å; A305-G344 VanDerWaalsContact O-CA 3.29Å; A305-G344 WeakPolarHBondContact O-CA 3.25Å; A305-V496 HydrophobicContact CB-CG2 4.08Å |
| 306 | P | 78.2 | Confident | 89.6 | Confident | 34 Ų | 34 | 13 Ų | 13 | 22% | 0.221 | 8% | 0.078 | C | C | . | . | P | Polyproline II helix | trans | -54 | 144.3 | 174.7 | -26.8 | 34.4 | 0 | 0 | 0 | 112 | R336 | P306-R336 VanDerWaalsContact O-CZ 3.31Å; P306-R336 PolarHBondContact O-NH1 3.14Å; P306-R336 PolarHBondContact O-NH2 2.94Å |
| 307 | A | 85.9 | Confident | 89.3 | Confident | 5 Ų | 5 | 15.6 Ų | 15.6 | 4% | 0.041 | 10% | 0.096 | C | C | . | . | P | Polyproline II helix | trans | -61.5 | 142.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | V309 T345 L347 P399 | A307-V309 HydrophobicContact CB-CG2 4.12Å; A307-T345 CarbonylContact C-O 3.59Å; A307-T345 WeakPolarHBondContact CA-O 3.46Å; A307-T345 WeakPolarHBondContact CB-O 3.26Å; A307-L347 HydrophobicContact CB-CD1 4.31Å; A307-P399 HydrophobicContact CB-CG 4.06Å |
| 308 | L | 87.9 | Confident | 89.3 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 109.1 | 174.2 | -178.8 | 61.8 | 0 | 0 | 0 | 107.6 | F310 I332 T345 F346 L347 F405 V490 T494 | L308-F310 HydrophobicContact CD1-CD2 4.5Å; L308-F310 HydrophobicContact CD1-CE2 3.83Å; L308-F310 HydrophobicContact CD1-CZ 4.35Å; L308-F310 HydrophobicContact CD2-CE2 3.78Å; L308-F310 HydrophobicContact CG-CD2 4.12Å; L308-F310 HydrophobicContact CG-CE2 3.61Å; L308-I332 HydrophobicContact CD1-CD1 3.94Å; L308-I332 HydrophobicContact CD2-CB 4.21Å; L308-I332 HydrophobicContact CD2-CD1 4.22Å; L308-I332 HydrophobicContact CD2-CG2 3.86Å; L308-T345 PolarHBondContact N-O 3.07Å; L308-F346 HydrophobicContact CB-CD1 3.88Å; L308-F346 HydrophobicContact CB-CE1 4.3Å; L308-F346 HydrophobicContact CD2-CD1 3.85Å; L308-F346 HydrophobicContact CD2-CE1 3.93Å; L308-F346 HydrophobicContact CG-CD1 4.36Å; L308-L347 PolarHBondContact O-N 2.88Å; L308-F405 HydrophobicContact CD1-CE2 4.43Å; L308-V490 HydrophobicContact CD1-CG1 4.23Å; L308-T494 HydrophobicContact CD1-CG2 3.54Å |
| 309 | V | 94.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 115.7 | -171.3 | -171 | 0 | 0 | 0 | 0 | 110.3 | A307 L347 A394 I404 F405 | A307-V309 HydrophobicContact CB-CG2 4.12Å; V309-L347 WeakPolarHBondContact CA-O 3.16Å; V309-L347 HydrophobicContact CB-CB 4.42Å; V309-L347 HydrophobicContact CG1-CB 4.04Å; V309-L347 HydrophobicContact CG2-CB 4.22Å; V309-L347 HydrophobicContact CG2-CD1 4.17Å; V309-A394 HydrophobicContact CG1-CB 3.93Å; V309-I404 HydrophobicContact CB-CB 4.49Å; V309-I404 HydrophobicContact CB-CG1 4.09Å; V309-I404 HydrophobicContact CG1-CB 4.46Å; V309-I404 HydrophobicContact CG1-CG1 4.05Å; V309-I404 HydrophobicContact CG1-CG2 4.1Å; V309-I404 HydrophobicContact CG2-CG1 4.48Å; V309-F405 PolarHBondContact O-N 3.45Å |
| 310 | F | 96.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 131.8 | 173.1 | -72.7 | -91.6 | 0 | 0 | 0 | 110.4 | L308 M312 A325 A329 L347 L348 V349 F368 F407 V490 | L308-F310 HydrophobicContact CD1-CD2 4.5Å; L308-F310 HydrophobicContact CD1-CE2 3.83Å; L308-F310 HydrophobicContact CD1-CZ 4.35Å; L308-F310 HydrophobicContact CD2-CE2 3.78Å; L308-F310 HydrophobicContact CG-CD2 4.12Å; L308-F310 HydrophobicContact CG-CE2 3.61Å; F310-M312 HydrophobicContact CB-CG 4.07Å; F310-M312 HydrophobicContact CB-SD 4.15Å; F310-M312 HydrophobicContact CD1-SD 3.97Å; F310-A325 HydrophobicContact CD1-CB 4.08Å; F310-A325 HydrophobicContact CE1-CB 3.91Å; F310-A329 HydrophobicContact CE2-CB 4.09Å; F310-A329 HydrophobicContact CZ-CB 4.22Å; F310-L347 PolarHBondContact N-O 2.66Å; F310-L348 HydrophobicContact CB-CD1 4.1Å; F310-L348 CarbonylContact O-C 3.5Å; F310-L348 WeakPolarHBondContact O-CA 3.41Å; F310-V349 PolarHBondContact O-N 2.7Å; F310-F368 HydrophobicContact CD2-CE1 4.37Å; F310-F368 AromaticContact CD2-CZ 3.86Å; F310-F368 HydrophobicContact CD2-CZ 3.86Å; F310-F368 HydrophobicContact CE2-CE1 4.39Å; F310-F368 HydrophobicContact CE2-CZ 4.32Å; F310-F407 HydrophobicContact CD1-CD2 4.25Å; F310-F407 AromaticContact CD1-CE2 3.68Å; F310-F407 HydrophobicContact CD1-CE2 3.68Å; F310-F407 AromaticContact CE1-CE2 3.76Å; F310-F407 HydrophobicContact CE1-CE2 3.76Å; F310-F407 HydrophobicContact CE1-CZ 4.2Å; F310-V490 HydrophobicContact CE1-CG1 4.28Å; F310-V490 HydrophobicContact CZ-CG1 4Å |
| 311 | V | 97.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 110 | 169.9 | -173.9 | 0 | 0 | 0 | 0 | 106.4 | V349 F351 A390 I391 A394 I404 F405 V406 F407 | V311-V349 CarbonylContact C-O 3.57Å; V311-V349 WeakPolarHBondContact CA-O 3.43Å; V311-F351 HydrophobicContact CG1-CD1 3.84Å; V311-F351 HydrophobicContact CG1-CE1 3.81Å; V311-A390 HydrophobicContact CG1-CB 3.63Å; V311-I391 HydrophobicContact CG1-CG1 4.15Å; V311-A394 HydrophobicContact CG2-CB 3.58Å; V311-I404 HydrophobicContact CG2-CG2 3.69Å; V311-F405 PolarHBondContact N-O 2.94Å; V311-V406 HydrophobicContact CB-CB 4.48Å; V311-V406 HydrophobicContact CB-CG1 4.31Å; V311-V406 HydrophobicContact CB-CG2 4.18Å; V311-V406 HydrophobicContact CG1-CG1 4.37Å; V311-V406 CarbonylContact O-C 3.53Å; V311-V406 WeakPolarHBondContact O-CA 3.46Å; V311-F407 PolarHBondContact O-N 3.23Å |
| 312 | M | 96.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 116.8 | -164 | -63.2 | -58.8 | -55.6 | 0 | 0 | 110.5 | F310 I322 A325 L348 V349 P350 F351 L375 F407 | F310-M312 HydrophobicContact CB-CG 4.07Å; F310-M312 HydrophobicContact CB-SD 4.15Å; F310-M312 HydrophobicContact CD1-SD 3.97Å; M312-I322 HydrophobicContact CE-CG1 3.95Å; M312-A325 HydrophobicContact CE-CB 3.57Å; M312-A325 HydrophobicContact SD-CB 3.78Å; M312-L348 HydrophobicContact CB-CD1 4.08Å; M312-L348 HydrophobicContact CG-CD1 3.47Å; M312-L348 VanDerWaalsContact CG-CD1 3.47Å; M312-V349 PolarHBondContact N-O 3.33Å; M312-P350 CarbonylContact O-C 3.59Å; M312-P350 VanDerWaalsContact O-CA 3.26Å; M312-P350 WeakPolarHBondContact O-CA 3.4Å; M312-F351 WeakPolarHBondContact O-CD1 3.38Å; M312-F351 PolarHBondContact O-N 2.98Å; M312-L375 HydrophobicContact CB-CD1 4.47Å; M312-L375 HydrophobicContact CG-CD1 4.28Å; M312-F407 HydrophobicContact CE-CB 3.65Å; M312-F407 HydrophobicContact CE-CD1 4.34Å; M312-F407 HydrophobicContact CE-CD2 4.13Å; M312-F407 HydrophobicContact CE-CG 3.82Å; M312-F407 HydrophobicContact SD-CB 3.81Å; M312-F407 HydrophobicContact SD-CD2 3.47Å; M312-F407 WeakPolarHBondContact SD-CD2 3.47Å; M312-F407 HydrophobicContact SD-CE2 4.17Å; M312-F407 HydrophobicContact SD-CG 3.78Å |
| 313 | D | 94.8 | Very high | 90 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 136.8 | 161.6 | -168.5 | -37.8 | 0 | 0 | 0 | 108.9 | T315 M318 F351 F407 T408 | D313-T315 WeakPolarHBondContact OD1-CB 3.48Å; D313-T315 WeakPolarHBondContact OD1-CG2 3.36Å; D313-T315 PolarHBondContact OD1-N 3.19Å; D313-T315 PolarHBondContact OD1-OG1 2.87Å; D313-M318 HydrophobicContact CB-CE 3.81Å; D313-M318 HydrophobicContact CB-CG 3.78Å; D313-M318 HydrophobicContact CB-SD 3.91Å; D313-M318 WeakPolarHBondContact O-CB 3.4Å; D313-F351 CarbonylContact C-O 3.57Å; D313-F351 WeakPolarHBondContact CA-O 3.4Å; D313-F351 HydrophobicContact CB-CE1 3.98Å; D313-F351 HydrophobicContact CB-CE2 3.92Å; D313-F351 HydrophobicContact CB-CZ 3.61Å; D313-F351 VanDerWaalsContact N-CE1 3.28Å; D313-F407 VanDerWaalsContact CB-O 3.25Å; D313-F407 WeakPolarHBondContact CB-O 3.32Å; D313-F407 PolarHBondContact N-O 2.83Å; D313-T408 PolarHBondContact OD2-OG1 2.83Å |
| 314 | T | 93.8 | Very high | 90.6 | Very high | 13 Ų | 13 | 20.6 Ų | 20.6 | 8% | 0.08 | 12% | 0.122 | C | C | . | . | trans | -119 | 8.1 | -173 | 49.1 | 0 | 0 | 0 | 0 | 113.5 | P350 F351 H352 L375 A377 L378 | T314-P350 HydrophobicContact CG2-CB 3.69Å; T314-F351 PolarHBondContact N-O 2.83Å; T314-F351 PolarHBondContact OG1-O 2.8Å; T314-H352 PolarHBondContact OG1-ND1 2.88Å; T314-L375 HydrophobicContact CG2-CD2 4.01Å; T314-A377 WeakPolarHBondContact O-CA 3.49Å; T314-L378 PolarHBondContact O-N 2.85Å | ||
| 315 | T | 91.3 | Very high | 91.4 | Very high | 7 Ų | 7 | 19.1 Ų | 19.1 | 4% | 0.043 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -59.2 | 162.1 | 175.4 | 56.5 | 0 | 0 | 0 | 0 | 113.1 | D313 S317 M318 H352 A377 E385 | D313-T315 WeakPolarHBondContact OD1-CB 3.48Å; D313-T315 WeakPolarHBondContact OD1-CG2 3.36Å; D313-T315 PolarHBondContact OD1-N 3.19Å; D313-T315 PolarHBondContact OD1-OG1 2.87Å; T315-S317 PolarHBondContact O-N 2.7Å; T315-M318 WeakPolarHBondContact O-CB 3.35Å; T315-M318 PolarHBondContact O-N 2.88Å; T315-M318 VanDerWaalsContact O-N 3.11Å; T315-M318 WeakPolarHBondContact OG1-CG 3.27Å; T315-H352 HydrophobicContact CG2-CB 3.89Å; T315-A377 WeakPolarHBondContact O-CA 3.07Å; T315-A377 WeakPolarHBondContact O-CB 3.32Å; T315-E385 VanDerWaalsContact CG2-CD 3.46Å; T315-E385 HydrophobicContact CG2-CG 4.27Å; T315-E385 WeakPolarHBondContact CG2-OE2 3.5Å |
| 316 | G | 88.2 | Confident | 92.2 | Very high | 47 Ų | 47 | 20.8 Ų | 20.8 | 49% | 0.485 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -14.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | G379 | G316-G379 PolarHBondContact N-O 2.85Å; G316-G379 VanDerWaalsContact N-O 3.08Å |
| 317 | S | 88.7 | Confident | 92.9 | Very high | 55 Ų | 55 | 23.9 Ų | 23.9 | 39% | 0.385 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -24.2 | 176.2 | 33.8 | 0 | 0 | 0 | 0 | 113.8 | T315 F319 D409 | T315-S317 PolarHBondContact O-N 2.7Å; S317-F319 PolarHBondContact O-N 3.37Å; S317-D409 WeakPolarHBondContact CB-OD2 3.4Å; S317-D409 PolarHBondContact OG-OD2 2.89Å |
| 318 | M | 93 | Very high | 93.2 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | 20.6 | -169.2 | -70.9 | -64.9 | -61.1 | 0 | 0 | 116.1 | D313 T315 E321 I322 F407 D409 | D313-M318 HydrophobicContact CB-CE 3.81Å; D313-M318 HydrophobicContact CB-CG 3.78Å; D313-M318 HydrophobicContact CB-SD 3.91Å; D313-M318 WeakPolarHBondContact O-CB 3.4Å; T315-M318 WeakPolarHBondContact O-CB 3.35Å; T315-M318 PolarHBondContact O-N 2.88Å; T315-M318 VanDerWaalsContact O-N 3.11Å; T315-M318 WeakPolarHBondContact OG1-CG 3.27Å; M318-E321 VanDerWaalsContact CA-OE2 3.32Å; M318-E321 WeakPolarHBondContact CA-OE2 3.32Å; M318-E321 HydrophobicContact CE-CB 3.32Å; M318-E321 HydrophobicContact CE-CG 3.64Å; M318-E321 HydrophobicContact SD-CB 4.18Å; M318-E321 HydrophobicContact SD-CG 3.97Å; M318-I322 HydrophobicContact CB-CD1 4.07Å; M318-I322 HydrophobicContact CB-CG1 4.32Å; M318-I322 WeakPolarHBondContact O-CB 3.35Å; M318-I322 WeakPolarHBondContact O-CD1 3.41Å; M318-I322 WeakPolarHBondContact O-CG1 3.15Å; M318-I322 PolarHBondContact O-N 2.86Å; M318-F407 VanDerWaalsContact CE-C 3.49Å; M318-F407 HydrophobicContact CE-CB 3.83Å; M318-F407 WeakPolarHBondContact CE-O 3.3Å; M318-D409 HydrophobicContact SD-CB 4.28Å |
| 319 | F | 92.1 | Very high | 93.3 | Very high | 124 Ų | 124 | 25.5 Ų | 25.5 | 54% | 0.544 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -65.5 | -43.4 | -172 | 177.4 | -93.9 | 0 | 0 | 0 | 113.5 | S317 T323 A377 | S317-F319 PolarHBondContact O-N 3.37Å; F319-T323 WeakPolarHBondContact O-CB 3.5Å; F319-T323 PolarHBondContact O-N 2.89Å; F319-T323 VanDerWaalsContact O-N 3.17Å; F319-T323 PolarHBondContact O-OG1 2.86Å; F319-A377 HydrophobicContact CB-CB 4.18Å |
| 320 | E | 92.9 | Very high | 93.1 | Very high | 68 Ų | 68 | 29.7 Ų | 29.7 | 32% | 0.318 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -74.9 | -35.2 | -177.2 | -65.5 | -62.3 | 164.8 | 0 | 0 | 110.9 | T323 A324 N480 I483 H484 | E320-T323 PolarHBondContact O-N 3.38Å; E320-A324 WeakPolarHBondContact O-CB 3.28Å; E320-A324 PolarHBondContact O-N 3.29Å; E320-N480 HydrophobicContact CB-CB 4.31Å; E320-N480 HydrophobicContact CG-CB 4.14Å; E320-I483 HydrophobicContact CB-CG2 3.97Å; E320-H484 PolarHBondContact O-CE1 3.24Å; E320-H484 IonicContact OE2-CD2 3.76Å; E320-H484 IonicContact OE2-CE1 3.62Å; E320-H484 IonicContact OE2-NE2 2.88Å; E320-H484 PolarHBondContact OE2-NE2 2.84Å |
| 321 | E | 94.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.6 | -47.9 | 178.7 | -63.6 | 70.7 | -160 | 0 | 0 | 111.4 | M318 T323 A324 A325 F407 T437 N480 I483 | M318-E321 VanDerWaalsContact CA-OE2 3.32Å; M318-E321 WeakPolarHBondContact CA-OE2 3.32Å; M318-E321 HydrophobicContact CE-CB 3.32Å; M318-E321 HydrophobicContact CE-CG 3.64Å; M318-E321 HydrophobicContact SD-CB 4.18Å; M318-E321 HydrophobicContact SD-CG 3.97Å; E321-T323 VanDerWaalsContact C-N 3.3Å; E321-T323 PolarHBondContact O-N 3.16Å; E321-A324 PolarHBondContact O-N 3.01Å; E321-A325 WeakPolarHBondContact O-CB 3.47Å; E321-A325 PolarHBondContact O-N 2.91Å; E321-F407 HydrophobicContact CB-CD1 4.2Å; E321-T437 HydrophobicContact CG-CG2 4.17Å; E321-T437 VanDerWaalsContact OE1-CB 3.29Å; E321-T437 WeakPolarHBondContact OE1-CB 3.46Å; E321-T437 WeakPolarHBondContact OE1-CG2 3.38Å; E321-T437 PolarHBondContact OE1-OG1 2.99Å; E321-N480 PolarHBondContact OE1-ND2 2.66Å; E321-I483 HydrophobicContact CG-CG1 4.25Å |
| 322 | I | 94.7 | Very high | 92.2 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.015 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.4 | -41.5 | 173.2 | -69.8 | 168.5 | 0 | 0 | 0 | 110.2 | M312 M318 A325 R326 L375 A377 | M312-I322 HydrophobicContact CE-CG1 3.95Å; M318-I322 HydrophobicContact CB-CD1 4.07Å; M318-I322 HydrophobicContact CB-CG1 4.32Å; M318-I322 WeakPolarHBondContact O-CB 3.35Å; M318-I322 WeakPolarHBondContact O-CD1 3.41Å; M318-I322 WeakPolarHBondContact O-CG1 3.15Å; M318-I322 PolarHBondContact O-N 2.86Å; I322-A325 PolarHBondContact O-N 2.86Å; I322-R326 WeakPolarHBondContact O-CG 3.44Å; I322-R326 PolarHBondContact O-N 2.89Å; I322-L375 HydrophobicContact CG2-CB 3.91Å; I322-L375 HydrophobicContact CG2-CD1 4.25Å; I322-A377 HydrophobicContact CD1-CB 4.18Å |
| 323 | T | 94.1 | Very high | 91.6 | Very high | 38 Ų | 38 | 32.9 Ų | 32.9 | 23% | 0.233 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.2 | -41.6 | 178.1 | -57 | 0 | 0 | 0 | 0 | 111.4 | F319 E320 E321 R326 L327 | F319-T323 WeakPolarHBondContact O-CB 3.5Å; F319-T323 PolarHBondContact O-N 2.89Å; F319-T323 VanDerWaalsContact O-N 3.17Å; F319-T323 PolarHBondContact O-OG1 2.86Å; E320-T323 PolarHBondContact O-N 3.38Å; E321-T323 VanDerWaalsContact C-N 3.3Å; E321-T323 PolarHBondContact O-N 3.16Å; T323-R326 PolarHBondContact O-N 3.37Å; T323-L327 WeakPolarHBondContact O-CG 3.33Å; T323-L327 PolarHBondContact O-N 3.45Å; T323-L327 VanDerWaalsContact O-N 3.14Å |
| 324 | A | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.2 | -44.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E320 E321 R326 L327 R328 I483 | E320-A324 WeakPolarHBondContact O-CB 3.28Å; E320-A324 PolarHBondContact O-N 3.29Å; E321-A324 PolarHBondContact O-N 3.01Å; A324-R326 PolarHBondContact O-N 3.44Å; A324-L327 PolarHBondContact O-N 3.12Å; A324-R328 WeakPolarHBondContact O-CG 3.45Å; A324-R328 PolarHBondContact O-N 2.92Å; A324-I483 HydrophobicContact CB-CG1 4.03Å; A324-I483 HydrophobicContact CB-CG2 4.38Å |
| 325 | A | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.8 | -41.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F310 M312 E321 I322 R328 A329 M372 F407 | F310-A325 HydrophobicContact CD1-CB 4.08Å; F310-A325 HydrophobicContact CE1-CB 3.91Å; M312-A325 HydrophobicContact CE-CB 3.57Å; M312-A325 HydrophobicContact SD-CB 3.78Å; E321-A325 WeakPolarHBondContact O-CB 3.47Å; E321-A325 PolarHBondContact O-N 2.91Å; I322-A325 PolarHBondContact O-N 2.86Å; A325-R328 PolarHBondContact O-N 3.38Å; A325-A329 WeakPolarHBondContact O-CB 3.32Å; A325-A329 PolarHBondContact O-N 3.04Å; A325-M372 HydrophobicContact CB-CE 3.93Å; A325-F407 HydrophobicContact CB-CE1 4.2Å; A325-F407 HydrophobicContact CB-CE2 4.21Å; A325-F407 HydrophobicContact CB-CZ 3.98Å |
| 326 | R | 94.3 | Very high | 89.8 | Confident | 42 Ų | 42 | 41.9 Ų | 41.9 | 16% | 0.158 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58 | -49.3 | 172.2 | -75.9 | 172.5 | 179.2 | 148.2 | -0.8 | 112.6 | I322 T323 A324 R328 A329 H330 M372 E373 L375 | I322-R326 WeakPolarHBondContact O-CG 3.44Å; I322-R326 PolarHBondContact O-N 2.89Å; T323-R326 PolarHBondContact O-N 3.37Å; A324-R326 PolarHBondContact O-N 3.44Å; R326-R328 VanDerWaalsContact C-N 3.28Å; R326-R328 PolarHBondContact O-N 2.61Å; R326-A329 PolarHBondContact O-N 2.98Å; R326-H330 WeakPolarHBondContact O-CB 3.49Å; R326-H330 PolarHBondContact O-N 2.83Å; R326-M372 HydrophobicContact CG-CB 4.28Å; R326-M372 HydrophobicContact CG-CE 4.3Å; R326-M372 VanDerWaalsContact CZ-O 3.31Å; R326-M372 PolarHBondContact NE-O 2.86Å; R326-M372 PolarHBondContact NH2-O 3.44Å; R326-E373 IonicContact CZ-OE2 3.97Å; R326-E373 IonicContact NE-OE1 3.98Å; R326-E373 IonicContact NE-OE2 3.57Å; R326-E373 PolarHBondContact NH2-O 3.46Å; R326-E373 VanDerWaalsContact NH2-O 3.1Å; R326-L375 PolarHBondContact NH2-O 3.31Å |
| 327 | L | 92.6 | Very high | 89 | Confident | 100 Ų | 100 | 43.8 Ų | 43.8 | 52% | 0.524 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.6 | -40.7 | 179.8 | -69.4 | 171.8 | 0 | 0 | 0 | 111.3 | T323 A324 S331 | T323-L327 WeakPolarHBondContact O-CG 3.33Å; T323-L327 PolarHBondContact O-N 3.45Å; T323-L327 VanDerWaalsContact O-N 3.14Å; A324-L327 PolarHBondContact O-N 3.12Å; L327-S331 VanDerWaalsContact O-CB 3.28Å; L327-S331 WeakPolarHBondContact O-CB 3.2Å; L327-S331 PolarHBondContact O-N 3.5Å |
| 328 | R | 92.4 | Very high | 87.7 | Confident | 39 Ų | 39 | 46 Ų | 46 | 15% | 0.147 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.5 | -44 | 176.1 | -61.2 | -60.2 | 160.1 | -158.5 | -2.7 | 113.1 | A324 A325 R326 H330 S331 I332 H484 S487 V490 E491 | A324-R328 WeakPolarHBondContact O-CG 3.45Å; A324-R328 PolarHBondContact O-N 2.92Å; A325-R328 PolarHBondContact O-N 3.38Å; R326-R328 VanDerWaalsContact C-N 3.28Å; R326-R328 PolarHBondContact O-N 2.61Å; R328-H330 VanDerWaalsContact C-N 3.31Å; R328-H330 PolarHBondContact O-N 3.15Å; R328-S331 PolarHBondContact O-N 3.22Å; R328-I332 WeakPolarHBondContact O-CB 3.33Å; R328-I332 WeakPolarHBondContact O-CD1 3.28Å; R328-I332 VanDerWaalsContact O-CG1 3.23Å; R328-I332 WeakPolarHBondContact O-CG1 3.48Å; R328-I332 PolarHBondContact O-N 3.07Å; R328-H484 PolarHBondContact NH2-O 2.77Å; R328-S487 VanDerWaalsContact CD-O 3.23Å; R328-S487 WeakPolarHBondContact CD-O 3.48Å; R328-S487 WeakPolarHBondContact CG-O 3.39Å; R328-S487 VanDerWaalsContact NE-C 3.34Å; R328-S487 PolarHBondContact NE-O 2.71Å; R328-S487 PolarHBondContact NE-OG 2.79Å; R328-V490 HydrophobicContact CB-CB 4.39Å; R328-E491 VanDerWaalsContact CD-OE1 3.24Å; R328-E491 WeakPolarHBondContact CD-OE1 3.41Å; R328-E491 IonicContact CZ-OE1 2.73Å; R328-E491 IonicContact NE-OE1 3.16Å; R328-E491 IonicContact NH1-OE1 3.41Å; R328-E491 PolarHBondContact NH1-OE1 3.26Å; R328-E491 IonicContact NH1-OE2 2.95Å; R328-E491 PolarHBondContact NH1-OE2 2.96Å |
| 329 | A | 91 | Very high | 86.4 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.3 | -48.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | F310 A325 R326 I332 I333 F368 M369 M372 | F310-A329 HydrophobicContact CE2-CB 4.09Å; F310-A329 HydrophobicContact CZ-CB 4.22Å; A325-A329 WeakPolarHBondContact O-CB 3.32Å; A325-A329 PolarHBondContact O-N 3.04Å; R326-A329 PolarHBondContact O-N 2.98Å; A329-I332 PolarHBondContact O-N 3.37Å; A329-I333 WeakPolarHBondContact O-CB 3.16Å; A329-I333 VanDerWaalsContact O-CG1 3.26Å; A329-I333 WeakPolarHBondContact O-CG1 3.06Å; A329-I333 PolarHBondContact O-N 2.93Å; A329-F368 HydrophobicContact CB-CE1 3.93Å; A329-M369 HydrophobicContact CB-SD 3.84Å; A329-M372 HydrophobicContact CB-CE 4.09Å; A329-M372 HydrophobicContact CB-CG 4.43Å |
| 330 | H | 90 | Very high | 84.4 | Confident | 87 Ų | 87 | 50.9 Ų | 50.9 | 40% | 0.403 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.2 | -47 | 177.9 | -175.1 | -96.9 | 0 | 0 | 0 | 112.4 | R326 R328 I332 I333 Q334 M369 | R326-H330 WeakPolarHBondContact O-CB 3.49Å; R326-H330 PolarHBondContact O-N 2.83Å; R328-H330 VanDerWaalsContact C-N 3.31Å; R328-H330 PolarHBondContact O-N 3.15Å; H330-I332 PolarHBondContact O-N 3.36Å; H330-I333 PolarHBondContact O-N 3.14Å; H330-Q334 PolarHBondContact CE1-NE2 3.06Å; H330-Q334 WeakPolarHBondContact O-CG 3.39Å; H330-Q334 PolarHBondContact O-N 2.97Å; H330-M369 HydrophobicContact CB-CE 4.07Å; H330-M369 HydrophobicContact CB-SD 4.34Å |
| 331 | S | 88.1 | Confident | 82.8 | Confident | 43 Ų | 43 | 50.9 Ų | 50.9 | 30% | 0.301 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.1 | -48.7 | 175.7 | 178 | 0 | 0 | 0 | 0 | 112.5 | L327 R328 I333 Q334 S335 E491 | L327-S331 VanDerWaalsContact O-CB 3.28Å; L327-S331 WeakPolarHBondContact O-CB 3.2Å; L327-S331 PolarHBondContact O-N 3.5Å; R328-S331 PolarHBondContact O-N 3.22Å; S331-I333 PolarHBondContact O-N 3Å; S331-Q334 PolarHBondContact O-N 3.44Å; S331-S335 PolarHBondContact O-N 2.96Å; S331-E491 WeakPolarHBondContact CB-OE1 3.44Å; S331-E491 PolarHBondContact OG-OE1 2.73Å |
| 332 | I | 85.7 | Confident | 81.1 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.015 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64 | -44.3 | 178.9 | -66.5 | 163.8 | 0 | 0 | 0 | 110.5 | L308 R328 A329 H330 Q334 S335 R336 V490 E491 T494 | L308-I332 HydrophobicContact CD1-CD1 3.94Å; L308-I332 HydrophobicContact CD2-CB 4.21Å; L308-I332 HydrophobicContact CD2-CD1 4.22Å; L308-I332 HydrophobicContact CD2-CG2 3.86Å; R328-I332 WeakPolarHBondContact O-CB 3.33Å; R328-I332 WeakPolarHBondContact O-CD1 3.28Å; R328-I332 VanDerWaalsContact O-CG1 3.23Å; R328-I332 WeakPolarHBondContact O-CG1 3.48Å; R328-I332 PolarHBondContact O-N 3.07Å; A329-I332 PolarHBondContact O-N 3.37Å; H330-I332 PolarHBondContact O-N 3.36Å; I332-Q334 PolarHBondContact O-N 3.4Å; I332-S335 PolarHBondContact O-N 2.94Å; I332-S335 PolarHBondContact O-OG 3.42Å; I332-R336 HydrophobicContact CG2-CG 4.38Å; I332-R336 WeakPolarHBondContact O-CB 3.22Å; I332-R336 WeakPolarHBondContact O-CG 3.45Å; I332-R336 PolarHBondContact O-N 2.68Å; I332-V490 HydrophobicContact CD1-CB 4.37Å; I332-V490 HydrophobicContact CD1-CG1 3.62Å; I332-E491 HydrophobicContact CD1-CG 4.18Å; I332-E491 HydrophobicContact CG1-CG 3.78Å; I332-T494 HydrophobicContact CD1-CG2 4.38Å |
| 333 | I | 85.3 | Confident | 79.7 | Confident | 21 Ų | 21 | 56.9 Ų | 56.9 | 11% | 0.108 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.2 | -47.3 | 176.3 | -77.4 | 169.1 | 0 | 0 | 0 | 111.6 | A329 H330 S331 S335 R336 A337 F346 P365 F368 M369 | A329-I333 WeakPolarHBondContact O-CB 3.16Å; A329-I333 VanDerWaalsContact O-CG1 3.26Å; A329-I333 WeakPolarHBondContact O-CG1 3.06Å; A329-I333 PolarHBondContact O-N 2.93Å; H330-I333 PolarHBondContact O-N 3.14Å; S331-I333 PolarHBondContact O-N 3Å; I333-S335 PolarHBondContact O-N 2.84Å; I333-R336 PolarHBondContact O-N 3.31Å; I333-A337 WeakPolarHBondContact O-CB 3.26Å; I333-A337 PolarHBondContact O-N 2.84Å; I333-F346 HydrophobicContact CD1-CD1 4.43Å; I333-F346 HydrophobicContact CD1-CE1 3.96Å; I333-F346 HydrophobicContact CD1-CZ 4.35Å; I333-F346 HydrophobicContact CG1-CD1 4.45Å; I333-F346 HydrophobicContact CG1-CE1 3.54Å; I333-F346 HydrophobicContact CG1-CZ 3.81Å; I333-P365 HydrophobicContact CB-CB 4.38Å; I333-P365 HydrophobicContact CD1-CB 3.9Å; I333-P365 HydrophobicContact CG1-CB 3.98Å; I333-P365 HydrophobicContact CG2-CB 3.54Å; I333-P365 HydrophobicContact CG2-CG 4.42Å; I333-F368 HydrophobicContact CD1-CD1 3.98Å; I333-M369 HydrophobicContact CD1-CG 3.71Å; I333-M369 HydrophobicContact CD1-SD 3.83Å |
| 334 | Q | 84.3 | Confident | 78.7 | Confident | 119 Ų | 119 | 55.1 Ų | 55.1 | 56% | 0.556 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.7 | -42.6 | 176.8 | -73.3 | -171.4 | -26.8 | 0 | 0 | 112 | H330 S331 I332 R336 A337 | H330-Q334 PolarHBondContact CE1-NE2 3.06Å; H330-Q334 WeakPolarHBondContact O-CG 3.39Å; H330-Q334 PolarHBondContact O-N 2.97Å; S331-Q334 PolarHBondContact O-N 3.44Å; I332-Q334 PolarHBondContact O-N 3.4Å; Q334-R336 VanDerWaalsContact C-N 3.34Å; Q334-R336 PolarHBondContact O-N 3.01Å; Q334-A337 PolarHBondContact O-N 2.85Å |
| 335 | S | 79.6 | Confident | 78.3 | Confident | 59 Ų | 59 | 55.8 Ų | 55.8 | 41% | 0.413 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.9 | -39 | 176.6 | 79.1 | 0 | 0 | 0 | 0 | 112.5 | S331 I332 I333 S338 | S331-S335 PolarHBondContact O-N 2.96Å; I332-S335 PolarHBondContact O-N 2.94Å; I332-S335 PolarHBondContact O-OG 3.42Å; I333-S335 PolarHBondContact O-N 2.84Å; S335-S338 PolarHBondContact O-OG 3.01Å |
| 336 | R | 77.4 | Confident | 78.1 | Confident | 32 Ų | 32 | 55.8 Ų | 55.8 | 12% | 0.121 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -71.3 | -37.6 | 178.3 | -73.3 | 175.6 | 176.9 | -152.5 | -8.4 | 111.9 | P306 I332 I333 Q334 S338 R339 T494 | P306-R336 VanDerWaalsContact O-CZ 3.31Å; P306-R336 PolarHBondContact O-NH1 3.14Å; P306-R336 PolarHBondContact O-NH2 2.94Å; I332-R336 HydrophobicContact CG2-CG 4.38Å; I332-R336 WeakPolarHBondContact O-CB 3.22Å; I332-R336 WeakPolarHBondContact O-CG 3.45Å; I332-R336 PolarHBondContact O-N 2.68Å; I333-R336 PolarHBondContact O-N 3.31Å; Q334-R336 VanDerWaalsContact C-N 3.34Å; Q334-R336 PolarHBondContact O-N 3.01Å; R336-S338 PolarHBondContact O-N 3.3Å; R336-S338 VanDerWaalsContact O-N 3.14Å; R336-R339 WeakPolarHBondContact O-CB 3.47Å; R336-R339 PolarHBondContact O-N 2.78Å; R336-T494 PolarHBondContact NH2-O 3.26Å |
| 337 | A | 72.3 | Confident | 78.1 | Confident | 86 Ų | 86 | 53.8 Ų | 53.8 | 71% | 0.711 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -60.7 | -22.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I333 Q334 R339 | I333-A337 WeakPolarHBondContact O-CB 3.26Å; I333-A337 PolarHBondContact O-N 2.84Å; Q334-A337 PolarHBondContact O-N 2.85Å; A337-R339 VanDerWaalsContact C-N 3.3Å |
| 338 | S | 60.8 | Low | 78.2 | Confident | 101 Ų | 101 | 49.1 Ų | 49.1 | 71% | 0.706 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -10.3 | 174.5 | 75.7 | 0 | 0 | 0 | 0 | 114.7 | S335 R336 | S335-S338 PolarHBondContact O-OG 3.01Å; R336-S338 PolarHBondContact O-N 3.3Å; R336-S338 VanDerWaalsContact O-N 3.14Å |
| 339 | R | 64.8 | Low | 78.5 | Confident | 115 Ų | 115 | 47.2 Ų | 47.2 | 43% | 0.434 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -102.4 | 149.2 | -173.8 | -57.5 | -174.4 | -179.3 | -154.9 | -2.2 | 111.8 | R336 A337 E341 | R336-R339 WeakPolarHBondContact O-CB 3.47Å; R336-R339 PolarHBondContact O-N 2.78Å; A337-R339 VanDerWaalsContact C-N 3.3Å; R339-E341 WeakPolarHBondContact CD-OE2 3.22Å; R339-E341 IonicContact NH1-OE2 3.83Å; R339-E341 PolarHBondContact O-N 3.17Å; R339-E341 VanDerWaalsContact O-N 3.14Å |
| 340 | A | 51.8 | Low | 78.7 | Confident | 112 Ų | 112 | 48 Ų | 48 | 93% | 0.926 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -80.1 | 18.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 341 | E | 58.4 | Low | 78.9 | Confident | 68 Ų | 68 | 43.8 Ų | 43.8 | 32% | 0.318 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -94.8 | 161.4 | -176.1 | -64.5 | 173.2 | 138.2 | 0 | 0 | 110.3 | R339 | R339-E341 WeakPolarHBondContact CD-OE2 3.22Å; R339-E341 IonicContact NH1-OE2 3.83Å; R339-E341 PolarHBondContact O-N 3.17Å; R339-E341 VanDerWaalsContact O-N 3.14Å |
| 342 | Q | 58.2 | Low | 78.9 | Confident | 67 Ų | 67 | 44.1 Ų | 44.1 | 31% | 0.313 | 26% | 0.259 | S | S | . | . | B | Isolated β-bridge | trans | -74.2 | 138.6 | 172.4 | -67.1 | -162.2 | 15.6 | 0 | 0 | 109.5 | R303 A305 G344 | R303-Q342 PolarHBondContact O-N 3.12Å; A305-Q342 PolarHBondContact N-O 2.77Å; Q342-G344 PolarHBondContact O-N 3.35Å |
| 343 | P | 65.2 | Low | 78.7 | Confident | 63 Ų | 63 | 45.6 Ų | 45.6 | 41% | 0.409 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -57 | 128.7 | 171.5 | 24.8 | -32.8 | 0 | 0 | 0 | 109 | F346 P365 | P343-F346 HydrophobicContact CB-CE2 4.32Å; P343-P365 HydrophobicContact CB-CG 4.46Å |
| 344 | G | 73.3 | Confident | 78.6 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 163.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111 | A305 Q342 F346 | A305-G344 VanDerWaalsContact O-CA 3.29Å; A305-G344 WeakPolarHBondContact O-CA 3.25Å; Q342-G344 PolarHBondContact O-N 3.35Å; G344-F346 VanDerWaalsContact O-CD2 3.3Å; G344-F346 WeakPolarHBondContact O-CD2 3.44Å; G344-F346 VanDerWaalsContact O-CE2 3.25Å; G344-F346 WeakPolarHBondContact O-CE2 3.45Å |
| 345 | T | 84.3 | Confident | 78.8 | Confident | 14 Ų | 14 | 50 Ų | 50 | 9% | 0.086 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 137.2 | 177.1 | -41.9 | 0 | 0 | 0 | 0 | 110.8 | A307 L308 L347 E361 | A307-T345 CarbonylContact C-O 3.59Å; A307-T345 WeakPolarHBondContact CA-O 3.46Å; A307-T345 WeakPolarHBondContact CB-O 3.26Å; L308-T345 PolarHBondContact N-O 3.07Å; T345-L347 HydrophobicContact CG2-CD1 3.63Å; T345-L347 HydrophobicContact CG2-CG 4.5Å; T345-E361 HydrophobicContact CG2-CG 3.55Å |
| 346 | F | 89.9 | Confident | 79.4 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 0% | 0.004 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 134.2 | 170.9 | -56.7 | -93.7 | 0 | 0 | 0 | 109.4 | L308 I333 P343 G344 E361 A362 P365 F368 | L308-F346 HydrophobicContact CB-CD1 3.88Å; L308-F346 HydrophobicContact CB-CE1 4.3Å; L308-F346 HydrophobicContact CD2-CD1 3.85Å; L308-F346 HydrophobicContact CD2-CE1 3.93Å; L308-F346 HydrophobicContact CG-CD1 4.36Å; I333-F346 HydrophobicContact CD1-CD1 4.43Å; I333-F346 HydrophobicContact CD1-CE1 3.96Å; I333-F346 HydrophobicContact CD1-CZ 4.35Å; I333-F346 HydrophobicContact CG1-CD1 4.45Å; I333-F346 HydrophobicContact CG1-CE1 3.54Å; I333-F346 HydrophobicContact CG1-CZ 3.81Å; P343-F346 HydrophobicContact CB-CE2 4.32Å; G344-F346 VanDerWaalsContact O-CD2 3.3Å; G344-F346 WeakPolarHBondContact O-CD2 3.44Å; G344-F346 VanDerWaalsContact O-CE2 3.25Å; G344-F346 WeakPolarHBondContact O-CE2 3.45Å; F346-E361 WeakPolarHBondContact O-CA 3.17Å; F346-A362 PolarHBondContact N-O 3.49Å; F346-A362 PolarHBondContact O-N 3.45Å; F346-P365 HydrophobicContact CE2-CB 4.27Å; F346-P365 HydrophobicContact CE2-CG 3.81Å; F346-P365 HydrophobicContact CZ-CB 4.28Å; F346-P365 HydrophobicContact CZ-CG 4.02Å; F346-F368 HydrophobicContact CB-CB 3.84Å; F346-F368 HydrophobicContact CB-CD1 4.01Å; F346-F368 HydrophobicContact CB-CD2 3.29Å; F346-F368 HydrophobicContact CB-CE1 4.41Å; F346-F368 HydrophobicContact CB-CE2 3.77Å; F346-F368 HydrophobicContact CB-CG 3.41Å; F346-F368 VanDerWaalsContact CB-CG 3.41Å; F346-F368 HydrophobicContact CB-CZ 4.31Å; F346-F368 AromaticContact CD1-CD1 3.87Å; F346-F368 HydrophobicContact CD1-CD1 3.87Å; F346-F368 HydrophobicContact CD1-CE1 4.22Å; F346-F368 HydrophobicContact CD1-CG 4.09Å; F346-F368 HydrophobicContact CD2-CB 4.44Å; F346-F368 HydrophobicContact CG-CB 4.05Å; F346-F368 HydrophobicContact CG-CD1 4.14Å; F346-F368 HydrophobicContact CG-CD2 4.24Å; F346-F368 AromaticContact CG-CG 3.86Å; F346-F368 HydrophobicContact CG-CG 3.86Å |
| 347 | L | 94 | Very high | 80 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 132.8 | 178.7 | -70.4 | 90.8 | 0 | 0 | 0 | 110 | A307 L308 V309 F310 T345 V359 H360 E361 R397 | A307-L347 HydrophobicContact CB-CD1 4.31Å; L308-L347 PolarHBondContact O-N 2.88Å; V309-L347 WeakPolarHBondContact CA-O 3.16Å; V309-L347 HydrophobicContact CB-CB 4.42Å; V309-L347 HydrophobicContact CG1-CB 4.04Å; V309-L347 HydrophobicContact CG2-CB 4.22Å; V309-L347 HydrophobicContact CG2-CD1 4.17Å; F310-L347 PolarHBondContact N-O 2.66Å; T345-L347 HydrophobicContact CG2-CD1 3.63Å; T345-L347 HydrophobicContact CG2-CG 4.5Å; L347-V359 HydrophobicContact CD2-CG1 4.21Å; L347-H360 WeakPolarHBondContact CA-O 3.2Å; L347-E361 HydrophobicContact CG-CG 4.36Å; L347-R397 HydrophobicContact CD2-CB 3.47Å; L347-R397 VanDerWaalsContact CD2-CB 3.47Å |
| 348 | L | 96.3 | Very high | 80.9 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 129.6 | 170.4 | 166.4 | 66.7 | 0 | 0 | 0 | 108.9 | F310 M312 H360 F368 H371 M372 L375 | F310-L348 HydrophobicContact CB-CD1 4.1Å; F310-L348 CarbonylContact O-C 3.5Å; F310-L348 WeakPolarHBondContact O-CA 3.41Å; M312-L348 HydrophobicContact CB-CD1 4.08Å; M312-L348 HydrophobicContact CG-CD1 3.47Å; M312-L348 VanDerWaalsContact CG-CD1 3.47Å; L348-H360 HydrophobicContact CB-CB 4.24Å; L348-H360 PolarHBondContact N-O 2.91Å; L348-H360 PolarHBondContact O-N 2.68Å; L348-F368 HydrophobicContact CB-CE2 3.74Å; L348-F368 HydrophobicContact CB-CZ 4.32Å; L348-H371 HydrophobicContact CD2-CB 4.14Å; L348-M372 HydrophobicContact CD1-SD 4.07Å; L348-M372 HydrophobicContact CD2-SD 3.89Å; L348-M372 HydrophobicContact CG-SD 4.41Å; L348-L375 HydrophobicContact CD1-CD1 4.08Å; L348-L375 HydrophobicContact CD2-CD1 4.02Å; L348-L375 HydrophobicContact CD2-CD2 4.12Å; L348-L375 HydrophobicContact CD2-CG 4.15Å |
| 349 | V | 96.8 | Very high | 82.3 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 101.3 | 172.7 | -169.7 | 0 | 0 | 0 | 0 | 108.6 | F310 V311 M312 V359 A390 L393 A394 | F310-V349 PolarHBondContact O-N 2.7Å; V311-V349 CarbonylContact C-O 3.57Å; V311-V349 WeakPolarHBondContact CA-O 3.43Å; M312-V349 PolarHBondContact N-O 3.33Å; V349-V359 HydrophobicContact CG2-CB 4.49Å; V349-V359 HydrophobicContact CG2-CG1 4.23Å; V349-V359 HydrophobicContact CG2-CG2 4.04Å; V349-A390 HydrophobicContact CG1-CB 3.94Å; V349-L393 HydrophobicContact CG1-CD2 4.09Å; V349-A394 HydrophobicContact CG2-CB 3.84Å |
| 350 | P | 95.4 | Very high | 83.7 | Confident | 15 Ų | 15 | 44.6 Ų | 44.6 | 10% | 0.097 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 153.3 | 171.8 | 31.7 | -32.8 | 0 | 0 | 0 | 110.5 | M312 T314 G357 P358 L375 | M312-P350 CarbonylContact O-C 3.59Å; M312-P350 VanDerWaalsContact O-CA 3.26Å; M312-P350 WeakPolarHBondContact O-CA 3.4Å; T314-P350 HydrophobicContact CG2-CB 3.69Å; P350-G357 WeakPolarHBondContact O-CA 3.22Å; P350-G357 PolarHBondContact O-N 2.89Å; P350-P358 WeakPolarHBondContact CD-O 3.37Å; P350-L375 HydrophobicContact CB-CD2 4.07Å |
| 351 | F | 94 | Very high | 85.6 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 159 | 170.1 | 72.4 | -86.8 | 0 | 0 | 0 | 113.2 | V311 M312 D313 T314 F356 E385 C387 A390 | V311-F351 HydrophobicContact CG1-CD1 3.84Å; V311-F351 HydrophobicContact CG1-CE1 3.81Å; M312-F351 WeakPolarHBondContact O-CD1 3.38Å; M312-F351 PolarHBondContact O-N 2.98Å; D313-F351 CarbonylContact C-O 3.57Å; D313-F351 WeakPolarHBondContact CA-O 3.4Å; D313-F351 HydrophobicContact CB-CE1 3.98Å; D313-F351 HydrophobicContact CB-CE2 3.92Å; D313-F351 HydrophobicContact CB-CZ 3.61Å; D313-F351 VanDerWaalsContact N-CE1 3.28Å; T314-F351 PolarHBondContact N-O 2.83Å; T314-F351 PolarHBondContact OG1-O 2.8Å; F351-F356 HydrophobicContact CB-CB 3.77Å; F351-E385 HydrophobicContact CD2-CB 4.39Å; F351-E385 HydrophobicContact CE2-CB 4.08Å; F351-C387 HydrophobicContact CD2-CB 4.41Å; F351-C387 HydrophobicContact CE2-CB 3.66Å; F351-C387 HydrophobicContact CZ-CB 3.78Å; F351-A390 HydrophobicContact CB-CB 3.72Å; F351-A390 HydrophobicContact CD1-CB 3.7Å; F351-A390 HydrophobicContact CG-CB 3.84Å |
| 352 | H | 89.3 | Confident | 87 | Confident | 49 Ų | 49 | 39 Ų | 39 | 23% | 0.227 | 21% | 0.213 | C | C | . | . | trans | -162.1 | -170.7 | 164.8 | 53.6 | -89.8 | 0 | 0 | 0 | 108 | T314 T315 E355 E385 | T314-H352 PolarHBondContact OG1-ND1 2.88Å; T315-H352 HydrophobicContact CG2-CB 3.89Å; H352-E355 CarbonylContact C-O 3.48Å; H352-E355 PolarHBondContact N-O 2.97Å; H352-E355 CarbonylContact O-C 3.53Å; H352-E355 PolarHBondContact O-N 2.03Å; H352-E385 WeakPolarHBondContact CA-OE2 3.29Å | ||
| 353 | D | 81.3 | Confident | 88.3 | Confident | 34 Ų | 34 | 37.7 Ų | 37.7 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -100.7 | 129.2 | 173.2 | -175.3 | 64.7 | 0 | 0 | 0 | 111 | E385 K413 | D353-E385 WeakPolarHBondContact CB-OE2 3.38Å; D353-E385 PolarHBondContact N-OE2 2.89Å; D353-K413 WeakPolarHBondContact OD1-CD 3.41Å; D353-K413 IonicContact OD1-NZ 3.74Å; D353-K413 PolarHBondContact OD1-NZ 3.48Å; D353-K413 IonicContact OD2-NZ 2.72Å; D353-K413 PolarHBondContact OD2-NZ 3.35Å |
| 354 | P | 84.1 | Confident | 89.4 | Confident | 97 Ų | 97 | 38 Ų | 38 | 63% | 0.63 | 21% | 0.207 | S | C | * | . | S | Bend | cis | -93.4 | 5.5 | 2.2 | 37.6 | -35.4 | 0 | 0 | 0 | 115 | ||
| 355 | E | 88.1 | Confident | 90.1 | Very high | 135 Ų | 135 | 39.5 Ų | 39.5 | 63% | 0.631 | 22% | 0.216 | S | C | * | . | trans | -108 | 133.2 | -168.2 | -61 | -172.5 | -173.3 | 0 | 0 | 114 | H352 | H352-E355 CarbonylContact C-O 3.48Å; H352-E355 PolarHBondContact N-O 2.97Å; H352-E355 CarbonylContact O-C 3.53Å; H352-E355 PolarHBondContact O-N 2.03Å | ||
| 356 | F | 91.1 | Very high | 90.3 | Very high | 87 Ų | 87 | 44.1 Ų | 44.1 | 38% | 0.382 | 24% | 0.24 | S | C | . | . | B | Isolated β-bridge | trans | -130.3 | 150.3 | 175.3 | 63.3 | -89.6 | 0 | 0 | 0 | 111.9 | F351 M386 A390 L393 | F351-F356 HydrophobicContact CB-CB 3.77Å; F356-M386 HydrophobicContact CB-CB 4.28Å; F356-M386 HydrophobicContact CD1-CB 3.98Å; F356-M386 HydrophobicContact CD1-CE 4.03Å; F356-M386 HydrophobicContact CD1-CG 4.43Å; F356-M386 HydrophobicContact CE1-CE 3.91Å; F356-A390 HydrophobicContact CB-CB 4.45Å; F356-L393 HydrophobicContact CD2-CD2 4.44Å |
| 357 | G | 89.9 | Confident | 90.4 | Very high | 18 Ų | 18 | 48.2 Ų | 48.2 | 19% | 0.186 | 26% | 0.259 | C | S | . | . | trans | 73.3 | -163.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | P350 | P350-G357 WeakPolarHBondContact O-CA 3.22Å; P350-G357 PolarHBondContact O-N 2.89Å | ||
| 358 | P | 91.8 | Very high | 90.4 | Very high | 90 Ų | 90 | 48.2 Ų | 48.2 | 58% | 0.584 | 26% | 0.259 | S | S | * | . | cis | -70.2 | 172.4 | -1.7 | 32.2 | -37.4 | 0 | 0 | 0 | 112.8 | P350 | P350-P358 WeakPolarHBondContact CD-O 3.37Š| ||
| 359 | V | 91.2 | Very high | 90.2 | Very high | 36 Ų | 36 | 49.4 Ų | 49.4 | 22% | 0.218 | 27% | 0.265 | C | S | . | . | trans | -73.8 | 129.4 | 169.7 | -172.2 | 0 | 0 | 0 | 0 | 110.1 | L347 V349 L393 R397 | L347-V359 HydrophobicContact CD2-CG1 4.21Å; V349-V359 HydrophobicContact CG2-CB 4.49Å; V349-V359 HydrophobicContact CG2-CG1 4.23Å; V349-V359 HydrophobicContact CG2-CG2 4.04Å; V359-L393 HydrophobicContact CG2-CD1 3.72Å; V359-L393 HydrophobicContact CG2-CD2 3.65Å; V359-L393 HydrophobicContact CG2-CG 3.33Å; V359-R397 HydrophobicContact CG1-CG 4.32Å; V359-R397 HydrophobicContact CG2-CG 4.07Å | ||
| 360 | H | 93.4 | Very high | 90.1 | Very high | 50 Ų | 50 | 55.8 Ų | 55.8 | 23% | 0.231 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 99.3 | 165.3 | -60.9 | -74.9 | 0 | 0 | 0 | 109 | L347 L348 H371 | L347-H360 WeakPolarHBondContact CA-O 3.2Å; L348-H360 HydrophobicContact CB-CB 4.24Å; L348-H360 PolarHBondContact N-O 2.91Å; L348-H360 PolarHBondContact O-N 2.68Å; H360-H371 HydrophobicContact CB-CB 4.24Å; H360-H371 AromaticContact CE1-ND1 3.93Å; H360-H371 AromaticContact CG-CG 3.93Å; H360-H371 AromaticContact CG-ND1 3.87Å; H360-H371 AromaticContact ND1-CE1 3.42Å; H360-H371 PolarHBondContact ND1-CE1 3.41Å; H360-H371 AromaticContact ND1-CG 3.86Å; H360-H371 AromaticContact ND1-ND1 3.35Å; H360-H371 PolarHBondContact ND1-ND1 3.05Å; H360-H371 AromaticContact ND1-NE2 3.91Å |
| 361 | E | 91.3 | Very high | 90 | Very high | 62 Ų | 62 | 57.2 Ų | 57.2 | 29% | 0.29 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 126.1 | 173.6 | -169.7 | -152.7 | 124.6 | 0 | 0 | 110 | K140 T345 F346 L347 | K140-E361 WeakPolarHBondContact CD-OE1 3.13Å; K140-E361 WeakPolarHBondContact CE-OE1 3.48Å; K140-E361 IonicContact NZ-OE1 3.36Å; K140-E361 PolarHBondContact NZ-OE1 3.42Å; T345-E361 HydrophobicContact CG2-CG 3.55Å; F346-E361 WeakPolarHBondContact O-CA 3.17Å; L347-E361 HydrophobicContact CG-CG 4.36Å |
| 362 | A | 89.3 | Confident | 89.9 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 140.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F346 Q367 F368 | F346-A362 PolarHBondContact N-O 3.49Å; F346-A362 PolarHBondContact O-N 3.45Å; A362-Q367 HydrophobicContact CB-CB 4.29Å; A362-Q367 HydrophobicContact CB-CG 4.3Å; A362-F368 HydrophobicContact CB-CB 3.94Å |
| 363 | D | 85.4 | Confident | 90.1 | Very high | 39 Ų | 39 | 60.1 Ų | 60.1 | 21% | 0.209 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -98.8 | -17.7 | 170.2 | -78.7 | -37.2 | 0 | 0 | 0 | 112.3 | K140 K298 | K140-D363 IonicContact NZ-OD2 2.69Å; K140-D363 PolarHBondContact NZ-OD2 3.33Å; K298-D363 IonicContact NZ-OD1 3.67Å; K298-D363 PolarHBondContact NZ-OD1 2.79Å; K298-D363 IonicContact NZ-OD2 2.66Å; K298-D363 PolarHBondContact NZ-OD2 2.87Å |
| 364 | D | 86.3 | Confident | 90.6 | Very high | 71 Ų | 71 | 63 Ų | 63 | 38% | 0.38 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -99.3 | 121.5 | 175.1 | 179.7 | 4.7 | 0 | 0 | 0 | 109.2 | N366 Q367 F368 | D364-N366 PolarHBondContact O-N 2.77Å; D364-N366 PolarHBondContact OD1-N 2.75Å; D364-N366 PolarHBondContact OD1-ND2 2.86Å; D364-Q367 HydrophobicContact CB-CB 4.07Å; D364-Q367 PolarHBondContact O-N 3.33Å; D364-F368 PolarHBondContact O-N 2.93Å |
| 365 | P | 88.2 | Confident | 90.9 | Very high | 30 Ų | 30 | 59.2 Ų | 59.2 | 20% | 0.195 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -54.2 | -31.3 | 174.5 | -25.4 | 33 | 0 | 0 | 0 | 114.3 | I333 P343 F346 F368 M369 | I333-P365 HydrophobicContact CB-CB 4.38Å; I333-P365 HydrophobicContact CD1-CB 3.9Å; I333-P365 HydrophobicContact CG1-CB 3.98Å; I333-P365 HydrophobicContact CG2-CB 3.54Å; I333-P365 HydrophobicContact CG2-CG 4.42Å; P343-P365 HydrophobicContact CB-CG 4.46Å; F346-P365 HydrophobicContact CE2-CB 4.27Å; F346-P365 HydrophobicContact CE2-CG 3.81Å; F346-P365 HydrophobicContact CZ-CB 4.28Å; F346-P365 HydrophobicContact CZ-CG 4.02Å; P365-F368 PolarHBondContact O-N 2.93Å; P365-M369 WeakPolarHBondContact O-CG 3.24Å; P365-M369 PolarHBondContact O-N 3.35Å |
| 366 | N | 89.9 | Confident | 90.9 | Very high | 111 Ų | 111 | 58.8 Ų | 58.8 | 59% | 0.594 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -69.9 | -47.7 | 179.5 | -56.4 | -68.2 | 0 | 0 | 0 | 110.9 | D364 F368 M369 E370 | D364-N366 PolarHBondContact O-N 2.77Å; D364-N366 PolarHBondContact OD1-N 2.75Å; D364-N366 PolarHBondContact OD1-ND2 2.86Å; N366-F368 VanDerWaalsContact C-N 3.26Å; N366-F368 PolarHBondContact O-N 3.26Å; N366-M369 PolarHBondContact O-N 3.18Å; N366-M369 VanDerWaalsContact O-N 3.1Å; N366-E370 PolarHBondContact O-N 3.09Å |
| 367 | Q | 92.2 | Very high | 90.7 | Very high | 87 Ų | 87 | 55.8 Ų | 55.8 | 41% | 0.407 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.8 | -37.7 | 174.3 | -173.4 | -177.5 | 20.4 | 0 | 0 | 111.9 | A362 D364 E370 H371 | A362-Q367 HydrophobicContact CB-CB 4.29Å; A362-Q367 HydrophobicContact CB-CG 4.3Å; D364-Q367 HydrophobicContact CB-CB 4.07Å; D364-Q367 PolarHBondContact O-N 3.33Å; Q367-E370 PolarHBondContact O-N 3.01Å; Q367-H371 PolarHBondContact O-CD2 2.87Å; Q367-H371 PolarHBondContact O-N 3.08Å |
| 368 | F | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.6 | -45.5 | 173.6 | -176 | -108.4 | 0 | 0 | 0 | 112.2 | F310 A329 I333 F346 L348 A362 D364 P365 N366 E370 H371 M372 | F310-F368 HydrophobicContact CD2-CE1 4.37Å; F310-F368 AromaticContact CD2-CZ 3.86Å; F310-F368 HydrophobicContact CD2-CZ 3.86Å; F310-F368 HydrophobicContact CE2-CE1 4.39Å; F310-F368 HydrophobicContact CE2-CZ 4.32Å; A329-F368 HydrophobicContact CB-CE1 3.93Å; I333-F368 HydrophobicContact CD1-CD1 3.98Å; F346-F368 HydrophobicContact CB-CB 3.84Å; F346-F368 HydrophobicContact CB-CD1 4.01Å; F346-F368 HydrophobicContact CB-CD2 3.29Å; F346-F368 HydrophobicContact CB-CE1 4.41Å; F346-F368 HydrophobicContact CB-CE2 3.77Å; F346-F368 HydrophobicContact CB-CG 3.41Å; F346-F368 VanDerWaalsContact CB-CG 3.41Å; F346-F368 HydrophobicContact CB-CZ 4.31Å; F346-F368 AromaticContact CD1-CD1 3.87Å; F346-F368 HydrophobicContact CD1-CD1 3.87Å; F346-F368 HydrophobicContact CD1-CE1 4.22Å; F346-F368 HydrophobicContact CD1-CG 4.09Å; F346-F368 HydrophobicContact CD2-CB 4.44Å; F346-F368 HydrophobicContact CG-CB 4.05Å; F346-F368 HydrophobicContact CG-CD1 4.14Å; F346-F368 HydrophobicContact CG-CD2 4.24Å; F346-F368 AromaticContact CG-CG 3.86Å; F346-F368 HydrophobicContact CG-CG 3.86Å; L348-F368 HydrophobicContact CB-CE2 3.74Å; L348-F368 HydrophobicContact CB-CZ 4.32Å; A362-F368 HydrophobicContact CB-CB 3.94Å; D364-F368 PolarHBondContact O-N 2.93Å; P365-F368 PolarHBondContact O-N 2.93Å; N366-F368 VanDerWaalsContact C-N 3.26Å; N366-F368 PolarHBondContact O-N 3.26Å; F368-E370 VanDerWaalsContact C-N 3.33Å; F368-E370 PolarHBondContact O-N 3.09Å; F368-H371 PolarHBondContact O-N 2.84Å; F368-M372 HydrophobicContact CD1-CG 4.02Å; F368-M372 HydrophobicContact CE1-CG 3.59Å; F368-M372 HydrophobicContact CE1-SD 4.01Å; F368-M372 HydrophobicContact CE2-CG 4.45Å; F368-M372 HydrophobicContact CE2-SD 4.49Å; F368-M372 HydrophobicContact CZ-CG 3.83Å; F368-M372 HydrophobicContact CZ-SD 3.75Å; F368-M372 WeakPolarHBondContact O-CG 3.32Å; F368-M372 PolarHBondContact O-N 3.31Å |
| 369 | M | 92.9 | Very high | 89.1 | Confident | 27 Ų | 27 | 58.9 Ų | 58.9 | 13% | 0.133 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.6 | -36 | 176.9 | -72.4 | -56 | -53.3 | 0 | 0 | 112.3 | A329 H330 I333 P365 N366 H371 M372 E373 | A329-M369 HydrophobicContact CB-SD 3.84Å; H330-M369 HydrophobicContact CB-CE 4.07Å; H330-M369 HydrophobicContact CB-SD 4.34Å; I333-M369 HydrophobicContact CD1-CG 3.71Å; I333-M369 HydrophobicContact CD1-SD 3.83Å; P365-M369 WeakPolarHBondContact O-CG 3.24Å; P365-M369 PolarHBondContact O-N 3.35Å; N366-M369 PolarHBondContact O-N 3.18Å; N366-M369 VanDerWaalsContact O-N 3.1Å; M369-H371 VanDerWaalsContact C-N 3.32Å; M369-H371 PolarHBondContact O-N 3.04Å; M369-M372 HydrophobicContact CE-CB 4.4Å; M369-M372 PolarHBondContact O-N 2.84Å; M369-E373 WeakPolarHBondContact O-CG 3.34Å; M369-E373 PolarHBondContact O-N 2.94Å |
| 370 | E | 93.7 | Very high | 87.8 | Confident | 133 Ų | 133 | 58.9 Ų | 58.9 | 62% | 0.621 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -55.5 | -46.8 | 171.5 | -72.8 | 176.1 | -179.8 | 0 | 0 | 111.2 | N366 Q367 F368 E373 T374 | N366-E370 PolarHBondContact O-N 3.09Å; Q367-E370 PolarHBondContact O-N 3.01Å; F368-E370 VanDerWaalsContact C-N 3.33Å; F368-E370 PolarHBondContact O-N 3.09Å; E370-E373 PolarHBondContact O-N 2.69Å; E370-T374 WeakPolarHBondContact O-CG2 3.45Å; E370-T374 PolarHBondContact O-N 2.94Å; E370-T374 VanDerWaalsContact O-N 3.07Å; E370-T374 PolarHBondContact O-OG1 3.29Å |
| 371 | H | 93.4 | Very high | 86.3 | Confident | 45 Ų | 45 | 59.4 Ų | 59.4 | 21% | 0.208 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 174.8 | -69.5 | -54.8 | 0 | 0 | 0 | 112.6 | L348 H360 Q367 F368 M369 E373 T374 L375 | L348-H371 HydrophobicContact CD2-CB 4.14Å; H360-H371 HydrophobicContact CB-CB 4.24Å; H360-H371 AromaticContact CE1-ND1 3.93Å; H360-H371 AromaticContact CG-CG 3.93Å; H360-H371 AromaticContact CG-ND1 3.87Å; H360-H371 AromaticContact ND1-CE1 3.42Å; H360-H371 PolarHBondContact ND1-CE1 3.41Å; H360-H371 AromaticContact ND1-CG 3.86Å; H360-H371 AromaticContact ND1-ND1 3.35Å; H360-H371 PolarHBondContact ND1-ND1 3.05Å; H360-H371 AromaticContact ND1-NE2 3.91Å; Q367-H371 PolarHBondContact O-CD2 2.87Å; Q367-H371 PolarHBondContact O-N 3.08Å; F368-H371 PolarHBondContact O-N 2.84Å; M369-H371 VanDerWaalsContact C-N 3.32Å; M369-H371 PolarHBondContact O-N 3.04Å; H371-E373 PolarHBondContact O-N 3.36Å; H371-T374 PolarHBondContact O-N 2.76Å; H371-T374 PolarHBondContact O-OG1 2.94Å; H371-L375 PolarHBondContact O-N 3Å |
| 372 | M | 92.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.9 | -41.6 | 176.2 | -68.5 | -67.6 | -67.4 | 0 | 0 | 112.5 | A325 R326 A329 L348 F368 M369 T374 L375 | A325-M372 HydrophobicContact CB-CE 3.93Å; R326-M372 HydrophobicContact CG-CB 4.28Å; R326-M372 HydrophobicContact CG-CE 4.3Å; R326-M372 VanDerWaalsContact CZ-O 3.31Å; R326-M372 PolarHBondContact NE-O 2.86Å; R326-M372 PolarHBondContact NH2-O 3.44Å; A329-M372 HydrophobicContact CB-CE 4.09Å; A329-M372 HydrophobicContact CB-CG 4.43Å; L348-M372 HydrophobicContact CD1-SD 4.07Å; L348-M372 HydrophobicContact CD2-SD 3.89Å; L348-M372 HydrophobicContact CG-SD 4.41Å; F368-M372 HydrophobicContact CD1-CG 4.02Å; F368-M372 HydrophobicContact CE1-CG 3.59Å; F368-M372 HydrophobicContact CE1-SD 4.01Å; F368-M372 HydrophobicContact CE2-CG 4.45Å; F368-M372 HydrophobicContact CE2-SD 4.49Å; F368-M372 HydrophobicContact CZ-CG 3.83Å; F368-M372 HydrophobicContact CZ-SD 3.75Å; F368-M372 WeakPolarHBondContact O-CG 3.32Å; F368-M372 PolarHBondContact O-N 3.31Å; M369-M372 HydrophobicContact CE-CB 4.4Å; M369-M372 PolarHBondContact O-N 2.84Å; M372-T374 VanDerWaalsContact C-N 3.33Å; M372-T374 PolarHBondContact O-N 3.36Å; M372-L375 PolarHBondContact O-N 2.97Å; M372-L375 HydrophobicContact SD-CD1 4.32Å |
| 373 | E | 92.9 | Very high | 85.2 | Confident | 110 Ų | 110 | 63.4 Ų | 63.4 | 51% | 0.514 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -71.1 | -25 | 177.6 | -65.9 | -51.5 | 141.1 | 0 | 0 | 113 | R326 M369 E370 H371 L375 | R326-E373 IonicContact CZ-OE2 3.97Å; R326-E373 IonicContact NE-OE1 3.98Å; R326-E373 IonicContact NE-OE2 3.57Å; R326-E373 PolarHBondContact NH2-O 3.46Å; R326-E373 VanDerWaalsContact NH2-O 3.1Å; M369-E373 WeakPolarHBondContact O-CG 3.34Å; M369-E373 PolarHBondContact O-N 2.94Å; E370-E373 PolarHBondContact O-N 2.69Å; H371-E373 PolarHBondContact O-N 3.36Å; E373-L375 VanDerWaalsContact C-N 3.33Å; E373-L375 PolarHBondContact O-N 2.86Å |
| 374 | T | 92.1 | Very high | 85.3 | Confident | 95 Ų | 95 | 63.4 Ų | 63.4 | 58% | 0.583 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -74.5 | -15.6 | 174 | 57.1 | 0 | 0 | 0 | 0 | 115.1 | E370 H371 M372 M376 | E370-T374 WeakPolarHBondContact O-CG2 3.45Å; E370-T374 PolarHBondContact O-N 2.94Å; E370-T374 VanDerWaalsContact O-N 3.07Å; E370-T374 PolarHBondContact O-OG1 3.29Å; H371-T374 PolarHBondContact O-N 2.76Å; H371-T374 PolarHBondContact O-OG1 2.94Å; M372-T374 VanDerWaalsContact C-N 3.33Å; M372-T374 PolarHBondContact O-N 3.36Å; T374-M376 PolarHBondContact O-N 2.91Å |
| 375 | L | 90.8 | Very high | 85.5 | Confident | 18 Ų | 18 | 60.5 Ų | 60.5 | 9% | 0.094 | 35% | 0.354 | C | S | . | . | trans | -58.8 | 137.3 | 176.5 | -66.1 | 175.8 | 0 | 0 | 0 | 111.6 | M312 T314 I322 R326 L348 P350 H371 M372 E373 | M312-L375 HydrophobicContact CB-CD1 4.47Å; M312-L375 HydrophobicContact CG-CD1 4.28Å; T314-L375 HydrophobicContact CG2-CD2 4.01Å; I322-L375 HydrophobicContact CG2-CB 3.91Å; I322-L375 HydrophobicContact CG2-CD1 4.25Å; R326-L375 PolarHBondContact NH2-O 3.31Å; L348-L375 HydrophobicContact CD1-CD1 4.08Å; L348-L375 HydrophobicContact CD2-CD1 4.02Å; L348-L375 HydrophobicContact CD2-CD2 4.12Å; L348-L375 HydrophobicContact CD2-CG 4.15Å; P350-L375 HydrophobicContact CB-CD2 4.07Å; H371-L375 PolarHBondContact O-N 3Å; M372-L375 PolarHBondContact O-N 2.97Å; M372-L375 HydrophobicContact SD-CD1 4.32Å; E373-L375 VanDerWaalsContact C-N 3.33Å; E373-L375 PolarHBondContact O-N 2.86Å | ||
| 376 | M | 87.1 | Confident | 85.7 | Confident | 126 Ų | 126 | 60.3 Ų | 60.3 | 62% | 0.621 | 35% | 0.351 | S | S | * | . | trans | -133.2 | 132.4 | 174 | -59.4 | -170.2 | -177.4 | 0 | 0 | 108.9 | T374 L378 | T374-M376 PolarHBondContact O-N 2.91Å; M376-L378 VanDerWaalsContact C-N 3.31Å; M376-L378 HydrophobicContact CB-CB 4.42Å; M376-L378 HydrophobicContact CB-CD1 3.61Å; M376-L378 HydrophobicContact CB-CG 3.78Å; M376-L378 HydrophobicContact CG-CD1 4.29Å; M376-L378 PolarHBondContact O-N 3.04Å; M376-L378 HydrophobicContact SD-CD1 3.74Å | ||
| 377 | A | 87.4 | Confident | 86 | Confident | 24 Ų | 24 | 55 Ų | 55 | 20% | 0.198 | 32% | 0.323 | C | S | . | . | trans | -71.4 | 88.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | T314 T315 F319 I322 | T314-A377 WeakPolarHBondContact O-CA 3.49Å; T315-A377 WeakPolarHBondContact O-CA 3.07Å; T315-A377 WeakPolarHBondContact O-CB 3.32Å; F319-A377 HydrophobicContact CB-CB 4.18Å; I322-A377 HydrophobicContact CD1-CB 4.18Å | ||
| 378 | L | 80.8 | Confident | 86.2 | Confident | 111 Ų | 111 | 50.9 Ų | 50.9 | 58% | 0.581 | 30% | 0.304 | S | S | * | . | trans | -145.5 | 143 | -173 | -72.1 | 177.9 | 0 | 0 | 0 | 110.4 | T314 M376 | T314-L378 PolarHBondContact O-N 2.85Å; M376-L378 VanDerWaalsContact C-N 3.31Å; M376-L378 HydrophobicContact CB-CB 4.42Å; M376-L378 HydrophobicContact CB-CD1 3.61Å; M376-L378 HydrophobicContact CB-CG 3.78Å; M376-L378 HydrophobicContact CG-CD1 4.29Å; M376-L378 PolarHBondContact O-N 3.04Å; M376-L378 HydrophobicContact SD-CD1 3.74Å | ||
| 379 | G | 68.1 | Low | 86.2 | Confident | 61 Ų | 61 | 51.1 Ų | 51.1 | 63% | 0.629 | 31% | 0.305 | S | S | * | . | trans | 76.9 | -146.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G316 | G316-G379 PolarHBondContact N-O 2.85Å; G316-G379 VanDerWaalsContact N-O 3.08Å | ||
| 380 | G | 62.4 | Low | 86.4 | Confident | 37 Ų | 37 | 49.9 Ų | 49.9 | 38% | 0.381 | 30% | 0.299 | S | S | . | . | trans | 90.5 | 134.5 | -161.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 381 | G | 63.8 | Low | 86.5 | Confident | 61 Ų | 61 | 43.5 Ų | 43.5 | 63% | 0.629 | 27% | 0.269 | S | S | * | . | trans | -97.2 | -110.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 382 | D | 73.1 | Confident | 86.6 | Confident | 105 Ų | 105 | 42.1 Ų | 42.1 | 56% | 0.561 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -109.2 | 140.2 | 161.1 | 67.1 | -12.9 | 0 | 0 | 0 | 110.6 | P384 K413 | D382-P384 VanDerWaalsContact O-O 3.07Å; D382-K413 PolarHBondContact O-NZ 3.45Å; D382-K413 IonicContact OD1-NZ 2.73Å; D382-K413 PolarHBondContact OD1-NZ 2.98Å |
| 383 | E | 82.4 | Confident | 86.5 | Confident | 41 Ų | 41 | 43.8 Ų | 43.8 | 19% | 0.192 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -57.3 | 130.6 | 162.5 | -178.4 | -165.1 | 157.8 | 0 | 0 | 107.8 | A410 S411 L456 R460 | E383-A410 HydrophobicContact CG-CB 4.22Å; E383-S411 WeakPolarHBondContact OE1-CB 3.47Å; E383-S411 PolarHBondContact OE1-N 3.12Å; E383-S411 PolarHBondContact OE1-OG 3.2Å; E383-L456 HydrophobicContact CG-CD2 4.45Å; E383-L456 VanDerWaalsContact OE2-CD1 3.27Å; E383-L456 WeakPolarHBondContact OE2-CD1 3.4Å; E383-R460 IonicContact OE1-CZ 3.59Å; E383-R460 IonicContact OE1-NE 2.66Å; E383-R460 PolarHBondContact OE1-NE 2.94Å; E383-R460 IonicContact OE1-NH1 3.63Å; E383-R460 PolarHBondContact OE1-NH1 2.86Å; E383-R460 IonicContact OE1-NH2 2.83Å; E383-R460 PolarHBondContact OE1-NH2 3.28Å; E383-R460 VanDerWaalsContact OE1-NH2 3.11Å; E383-R460 IonicContact OE2-CZ 3.57Å; E383-R460 VanDerWaalsContact OE2-CZ 3.26Å; E383-R460 IonicContact OE2-NH1 3.83Å; E383-R460 PolarHBondContact OE2-NH1 3.41Å; E383-R460 IonicContact OE2-NH2 3.58Å; E383-R460 PolarHBondContact OE2-NH2 3.16Å |
| 384 | P | 88.3 | Confident | 86.6 | Confident | 39 Ų | 39 | 38.5 Ų | 38.5 | 25% | 0.253 | 25% | 0.247 | S | C | . | . | cis | -93 | 168.1 | 19.5 | 34.5 | -36 | 0 | 0 | 0 | 117.4 | D382 S411 K413 | D382-P384 VanDerWaalsContact O-O 3.07Å; P384-S411 CarbonylContact C-O 3.54Å; P384-S411 VanDerWaalsContact CA-O 3.27Å; P384-S411 WeakPolarHBondContact CA-O 3.21Å; P384-S411 WeakPolarHBondContact CB-O 3.41Å; P384-K413 HydrophobicContact CB-CB 3.9Å; P384-K413 HydrophobicContact CG-CB 3.72Å; P384-K413 HydrophobicContact CG-CD 4.42Å; P384-K413 HydrophobicContact CG-CG 3.94Å; P384-K413 VanDerWaalsContact O-CD 3.23Å; P384-K413 WeakPolarHBondContact O-CD 3.39Å; P384-K413 WeakPolarHBondContact O-CE 3.25Å; P384-K413 PolarHBondContact O-NZ 3.16Å | ||
| 385 | E | 90.9 | Very high | 86.7 | Confident | 9 Ų | 9 | 34 Ų | 34 | 4% | 0.042 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -115.9 | 162.1 | -172 | -58.3 | -69.8 | 147.9 | 0 | 0 | 113.4 | T315 F351 H352 D353 C387 A410 S411 P412 K413 | T315-E385 VanDerWaalsContact CG2-CD 3.46Å; T315-E385 HydrophobicContact CG2-CG 4.27Å; T315-E385 WeakPolarHBondContact CG2-OE2 3.5Å; F351-E385 HydrophobicContact CD2-CB 4.39Å; F351-E385 HydrophobicContact CE2-CB 4.08Å; H352-E385 WeakPolarHBondContact CA-OE2 3.29Å; D353-E385 WeakPolarHBondContact CB-OE2 3.38Å; D353-E385 PolarHBondContact N-OE2 2.89Å; E385-C387 VanDerWaalsContact C-N 3.27Å; E385-C387 PolarHBondContact O-N 3.26Å; E385-A410 HydrophobicContact CB-CB 4.03Å; E385-A410 HydrophobicContact CG-CB 3.34Å; E385-S411 PolarHBondContact N-O 2.65Å; E385-P412 CarbonylContact O-C 3.42Å; E385-P412 WeakPolarHBondContact O-CA 3.46Å; E385-K413 WeakPolarHBondContact O-CB 3.11Å; E385-K413 PolarHBondContact O-N 2.8Å |
| 386 | M | 92.6 | Very high | 86.6 | Confident | 27 Ų | 27 | 33.5 Ų | 33.5 | 13% | 0.133 | 22% | 0.217 | C | C | . | . | trans | -81.7 | 51.7 | -172.6 | -65.4 | -64.3 | -67.8 | 0 | 0 | 115.1 | F356 S389 K413 D414 | F356-M386 HydrophobicContact CB-CB 4.28Å; F356-M386 HydrophobicContact CD1-CB 3.98Å; F356-M386 HydrophobicContact CD1-CE 4.03Å; F356-M386 HydrophobicContact CD1-CG 4.43Å; F356-M386 HydrophobicContact CE1-CE 3.91Å; M386-S389 WeakPolarHBondContact CE-OG 3.47Å; M386-K413 HydrophobicContact SD-CB 4.13Å; M386-K413 HydrophobicContact SD-CD 4.45Å; M386-K413 HydrophobicContact SD-CG 4.32Å; M386-D414 HydrophobicContact CE-CB 4.02Å; M386-D414 HydrophobicContact SD-CB 4.15Å | ||
| 387 | C | 95.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.8 | -44.3 | -170.6 | -177.4 | 0 | 0 | 0 | 0 | 114.3 | F351 E385 S389 A390 I391 P412 D414 Y464 | F351-C387 HydrophobicContact CD2-CB 4.41Å; F351-C387 HydrophobicContact CE2-CB 3.66Å; F351-C387 HydrophobicContact CZ-CB 3.78Å; E385-C387 VanDerWaalsContact C-N 3.27Å; E385-C387 PolarHBondContact O-N 3.26Å; C387-S389 VanDerWaalsContact C-N 3.35Å; C387-S389 PolarHBondContact O-N 3.05Å; C387-A390 WeakPolarHBondContact O-CB 3.14Å; C387-A390 PolarHBondContact O-N 3.42Å; C387-I391 WeakPolarHBondContact O-CG1 3.14Å; C387-I391 PolarHBondContact O-N 2.59Å; C387-P412 HydrophobicContact CB-CB 4.24Å; C387-D414 PolarHBondContact N-OD1 3.13Å; C387-Y464 HydrophobicContact CB-CE1 4.22Å; C387-Y464 VanDerWaalsContact CB-OH 3.28Å; C387-Y464 WeakPolarHBondContact CB-OH 3.44Å; C387-Y464 PolarHBondContact SG-OH 3.41Å; C387-Y464 VanDerWaalsContact SG-OH 3.38Å |
| 388 | F | 95.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.9 | -30 | -175.6 | -72.2 | -50 | 0 | 0 | 0 | 113.4 | A390 I391 Q392 P412 D414 L417 F418 V421 L463 Y464 L467 | F388-A390 VanDerWaalsContact C-N 3.33Å; F388-I391 HydrophobicContact CD1-CD1 4.04Å; F388-I391 HydrophobicContact CE1-CD1 4.39Å; F388-I391 PolarHBondContact O-N 2.81Å; F388-Q392 WeakPolarHBondContact O-CB 3.44Å; F388-Q392 PolarHBondContact O-N 2.82Å; F388-P412 HydrophobicContact CD2-CB 3.64Å; F388-P412 HydrophobicContact CD2-CG 4.09Å; F388-P412 HydrophobicContact CE2-CB 3.51Å; F388-P412 HydrophobicContact CE2-CG 3.42Å; F388-P412 VanDerWaalsContact CE2-CG 3.42Å; F388-P412 HydrophobicContact CG-CB 4.47Å; F388-P412 HydrophobicContact CZ-CB 4.23Å; F388-P412 HydrophobicContact CZ-CG 3.96Å; F388-D414 WeakPolarHBondContact CB-OD1 3.02Å; F388-D414 PolarHBondContact N-OD1 3.39Å; F388-D414 PolarHBondContact N-OD2 2.98Å; F388-D414 VanDerWaalsContact N-OD2 3.11Å; F388-L417 HydrophobicContact CB-CB 3.93Å; F388-F418 HydrophobicContact CE1-CD2 4.42Å; F388-F418 HydrophobicContact CE2-CB 4.43Å; F388-F418 HydrophobicContact CE2-CD2 4.37Å; F388-F418 AromaticContact CZ-CD2 3.94Å; F388-F418 HydrophobicContact CZ-CD2 3.94Å; F388-V421 HydrophobicContact CB-CG2 4.07Å; F388-V421 HydrophobicContact CD1-CG1 4.3Å; F388-V421 HydrophobicContact CD1-CG2 4.39Å; F388-V421 WeakPolarHBondContact O-CG2 3.28Å; F388-L463 HydrophobicContact CE2-CB 4.13Å; F388-L463 HydrophobicContact CE2-CD1 3.99Å; F388-L463 HydrophobicContact CZ-CB 3.78Å; F388-L463 HydrophobicContact CZ-CD1 4.49Å; F388-Y464 HydrophobicContact CE1-CD1 4.06Å; F388-Y464 HydrophobicContact CE1-CE1 4.16Å; F388-Y464 AromaticContact CZ-CD1 3.9Å; F388-Y464 HydrophobicContact CZ-CD1 3.9Å; F388-Y464 AromaticContact CZ-CE1 3.99Å; F388-Y464 HydrophobicContact CZ-CE1 3.99Å; F388-L467 HydrophobicContact CD1-CD2 4.24Å; F388-L467 HydrophobicContact CE1-CD2 3.73Å |
| 389 | S | 94.1 | Very high | 87 | Confident | 5 Ų | 5 | 26.6 Ų | 26.6 | 4% | 0.035 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.5 | -42.1 | 172.8 | -52.1 | 0 | 0 | 0 | 0 | 110.6 | M386 C387 Q392 L393 D414 L417 | M386-S389 WeakPolarHBondContact CE-OG 3.47Å; C387-S389 VanDerWaalsContact C-N 3.35Å; C387-S389 PolarHBondContact O-N 3.05Å; S389-Q392 PolarHBondContact O-N 3.3Å; S389-L393 VanDerWaalsContact O-CB 3.26Å; S389-L393 WeakPolarHBondContact O-CB 3.2Å; S389-L393 PolarHBondContact O-N 3.05Å; S389-D414 VanDerWaalsContact CB-OD2 3.28Å; S389-D414 WeakPolarHBondContact CB-OD2 3.49Å; S389-D414 PolarHBondContact N-OD2 3.31Å; S389-D414 PolarHBondContact OG-OD2 3.38Å; S389-L417 VanDerWaalsContact OG-CD1 3.25Å; S389-L417 WeakPolarHBondContact OG-CD1 3.45Å |
| 390 | A | 95.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.5 | -41.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V311 V349 F351 F356 C387 F388 L393 A394 | V311-A390 HydrophobicContact CG1-CB 3.63Å; V349-A390 HydrophobicContact CG1-CB 3.94Å; F351-A390 HydrophobicContact CB-CB 3.72Å; F351-A390 HydrophobicContact CD1-CB 3.7Å; F351-A390 HydrophobicContact CG-CB 3.84Å; F356-A390 HydrophobicContact CB-CB 4.45Å; C387-A390 WeakPolarHBondContact O-CB 3.14Å; C387-A390 PolarHBondContact O-N 3.42Å; F388-A390 VanDerWaalsContact C-N 3.33Å; A390-L393 PolarHBondContact O-N 3.38Å; A390-A394 WeakPolarHBondContact O-CB 3.47Å; A390-A394 PolarHBondContact O-N 2.98Å |
| 391 | I | 96.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.6 | -41.9 | 175.4 | -64.7 | 168.7 | 0 | 0 | 0 | 111.4 | V311 C387 F388 L393 A394 L395 V406 V421 I432 F434 | V311-I391 HydrophobicContact CG1-CG1 4.15Å; C387-I391 WeakPolarHBondContact O-CG1 3.14Å; C387-I391 PolarHBondContact O-N 2.59Å; F388-I391 HydrophobicContact CD1-CD1 4.04Å; F388-I391 HydrophobicContact CE1-CD1 4.39Å; F388-I391 PolarHBondContact O-N 2.81Å; I391-L393 VanDerWaalsContact C-N 3.31Å; I391-L393 PolarHBondContact O-N 2.95Å; I391-A394 PolarHBondContact O-N 3.14Å; I391-L395 HydrophobicContact CG2-CD1 3.97Å; I391-L395 HydrophobicContact CG2-CG 4.38Å; I391-L395 WeakPolarHBondContact O-CB 3.33Å; I391-L395 WeakPolarHBondContact O-CG 3.28Å; I391-L395 PolarHBondContact O-N 2.8Å; I391-V406 HydrophobicContact CD1-CG1 4.3Å; I391-V406 HydrophobicContact CD1-CG2 3.88Å; I391-V406 HydrophobicContact CG1-CG2 3.94Å; I391-V421 HydrophobicContact CB-CG1 4.32Å; I391-V421 HydrophobicContact CG2-CG1 3.56Å; I391-I432 HydrophobicContact CG2-CD1 3.81Å; I391-F434 HydrophobicContact CD1-CE1 3.74Å; I391-F434 HydrophobicContact CD1-CZ 3.69Å |
| 392 | Q | 94.5 | Very high | 90.1 | Very high | 16 Ų | 16 | 22.9 Ų | 22.9 | 8% | 0.075 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.8 | -45.8 | 175 | -177.7 | 180 | 28.8 | 0 | 0 | 111.1 | F388 S389 L395 S396 V421 L424 D751 | F388-Q392 WeakPolarHBondContact O-CB 3.44Å; F388-Q392 PolarHBondContact O-N 2.82Å; S389-Q392 PolarHBondContact O-N 3.3Å; Q392-L395 CarbonylContact O-C 3.59Å; Q392-L395 WeakPolarHBondContact O-CB 3.33Å; Q392-L395 PolarHBondContact O-N 2.88Å; Q392-S396 PolarHBondContact O-N 3.07Å; Q392-V421 HydrophobicContact CB-CG2 3.91Å; Q392-L424 HydrophobicContact CG-CD1 3.91Å; Q392-D751 PolarHBondContact NE2-OD2 2.97Å |
| 393 | L | 92.4 | Very high | 90.9 | Very high | 34 Ų | 34 | 18.6 Ų | 18.6 | 18% | 0.178 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -67.3 | -35.6 | 179.3 | -176.6 | 61.9 | 0 | 0 | 0 | 112.1 | V349 F356 V359 S389 A390 I391 S396 R397 | V349-L393 HydrophobicContact CG1-CD2 4.09Å; F356-L393 HydrophobicContact CD2-CD2 4.44Å; V359-L393 HydrophobicContact CG2-CD1 3.72Å; V359-L393 HydrophobicContact CG2-CD2 3.65Å; V359-L393 HydrophobicContact CG2-CG 3.33Å; S389-L393 VanDerWaalsContact O-CB 3.26Å; S389-L393 WeakPolarHBondContact O-CB 3.2Å; S389-L393 PolarHBondContact O-N 3.05Å; A390-L393 PolarHBondContact O-N 3.38Å; I391-L393 VanDerWaalsContact C-N 3.31Å; I391-L393 PolarHBondContact O-N 2.95Å; L393-S396 PolarHBondContact O-OG 2.8Å; L393-R397 PolarHBondContact O-N 2.9Å |
| 394 | A | 94.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.3 | -44.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V309 V311 V349 A390 I391 R397 S398 | V309-A394 HydrophobicContact CG1-CB 3.93Å; V311-A394 HydrophobicContact CG2-CB 3.58Å; V349-A394 HydrophobicContact CG2-CB 3.84Å; A390-A394 WeakPolarHBondContact O-CB 3.47Å; A390-A394 PolarHBondContact O-N 2.98Å; I391-A394 PolarHBondContact O-N 3.14Å; A394-R397 PolarHBondContact O-N 2.87Å; A394-S398 VanDerWaalsContact O-CB 3.3Å; A394-S398 WeakPolarHBondContact O-CB 3.34Å; A394-S398 PolarHBondContact O-N 2.85Å; A394-S398 PolarHBondContact O-OG 2.79Å |
| 395 | L | 93 | Very high | 91.9 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63.5 | -37.6 | 176.2 | -81 | 167.6 | 0 | 0 | 0 | 112.4 | I391 Q392 R397 S398 I404 V421 L424 A425 K428 I432 | I391-L395 HydrophobicContact CG2-CD1 3.97Å; I391-L395 HydrophobicContact CG2-CG 4.38Å; I391-L395 WeakPolarHBondContact O-CB 3.33Å; I391-L395 WeakPolarHBondContact O-CG 3.28Å; I391-L395 PolarHBondContact O-N 2.8Å; Q392-L395 CarbonylContact O-C 3.59Å; Q392-L395 WeakPolarHBondContact O-CB 3.33Å; Q392-L395 PolarHBondContact O-N 2.88Å; L395-R397 VanDerWaalsContact C-N 3.35Å; L395-R397 PolarHBondContact O-N 2.94Å; L395-S398 PolarHBondContact O-OG 2.89Å; L395-I404 HydrophobicContact CD2-CD1 3.54Å; L395-I404 HydrophobicContact CG-CD1 3.77Å; L395-V421 HydrophobicContact CD1-CG1 3.93Å; L395-V421 WeakPolarHBondContact CD1-O 3.3Å; L395-L424 HydrophobicContact CB-CB 4.36Å; L395-L424 HydrophobicContact CD1-CB 3.96Å; L395-A425 HydrophobicContact CD1-CB 4.19Å; L395-A425 HydrophobicContact CD2-CB 4.28Å; L395-K428 VanDerWaalsContact O-CD 3.24Å; L395-K428 WeakPolarHBondContact O-CD 3.39Å; L395-K428 VanDerWaalsContact O-CE 3.23Å; L395-K428 WeakPolarHBondContact O-CE 3.4Å; L395-K428 PolarHBondContact O-NZ 3.32Å; L395-I432 HydrophobicContact CD1-CD1 4.21Å |
| 396 | S | 88.8 | Confident | 92.2 | Very high | 8 Ų | 8 | 14.4 Ų | 14.4 | 6% | 0.056 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.2 | -42.4 | 179.3 | 66.5 | 0 | 0 | 0 | 0 | 111.3 | Q392 L393 K428 D753 | Q392-S396 PolarHBondContact O-N 3.07Å; L393-S396 PolarHBondContact O-OG 2.8Å; S396-K428 PolarHBondContact O-NZ 2.95Å; S396-D753 VanDerWaalsContact CB-OD2 3.23Å; S396-D753 WeakPolarHBondContact CB-OD2 3.28Å |
| 397 | R | 87.6 | Confident | 92.4 | Very high | 74 Ų | 74 | 13.1 Ų | 13.1 | 28% | 0.279 | 7% | 0.067 | S | C | . | . | H | α-helix | trans | -84.6 | -22.2 | -178.2 | -58.7 | -54.6 | -177.4 | 163.3 | -12.7 | 115.4 | E141 L347 V359 L393 A394 L395 | E141-R397 IonicContact OE1-CZ 3.26Å; E141-R397 IonicContact OE1-NH1 3.33Å; E141-R397 PolarHBondContact OE1-NH1 3.38Å; L347-R397 HydrophobicContact CD2-CB 3.47Å; L347-R397 VanDerWaalsContact CD2-CB 3.47Å; V359-R397 HydrophobicContact CG1-CG 4.32Å; V359-R397 HydrophobicContact CG2-CG 4.07Å; L393-R397 PolarHBondContact O-N 2.9Å; A394-R397 PolarHBondContact O-N 2.87Å; L395-R397 VanDerWaalsContact C-N 3.35Å; L395-R397 PolarHBondContact O-N 2.94Å |
| 398 | S | 88.9 | Confident | 92.3 | Very high | 3 Ų | 3 | 13.1 Ų | 13.1 | 2% | 0.021 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -69.9 | 145.5 | 179.7 | 71.2 | 0 | 0 | 0 | 0 | 112.5 | A394 L395 K428 | A394-S398 VanDerWaalsContact O-CB 3.3Å; A394-S398 WeakPolarHBondContact O-CB 3.34Å; A394-S398 PolarHBondContact O-N 2.85Å; A394-S398 PolarHBondContact O-OG 2.79Å; L395-S398 PolarHBondContact O-OG 2.89Å; S398-K428 PolarHBondContact O-NZ 2.79Å |
| 399 | P | 86.8 | Confident | 92.1 | Very high | 39 Ų | 39 | 14.9 Ų | 14.9 | 25% | 0.253 | 8% | 0.076 | S | C | . | . | P | Polyproline II helix | trans | -58.8 | 153 | 161.2 | -23.3 | 34.7 | 0 | 0 | 0 | 111.3 | A307 S402 | A307-P399 HydrophobicContact CB-CG 4.06Å; P399-S402 WeakPolarHBondContact O-CB 3.2Å; P399-S402 PolarHBondContact O-N 2.86Å; P399-S402 PolarHBondContact O-OG 2.88Å |
| 400 | P | 85.4 | Confident | 92 | Very high | 26 Ų | 26 | 14.8 Ų | 14.8 | 17% | 0.169 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 153.8 | 166.8 | -22.9 | 34.3 | 0 | 0 | 0 | 112.3 | S402 K428 | P400-S402 PolarHBondContact O-N 2.95Å; P400-K428 CarbonylContact C-O 3.57Å; P400-K428 VanDerWaalsContact CA-O 3.29Å; P400-K428 WeakPolarHBondContact CA-O 3.17Å; P400-K428 WeakPolarHBondContact CB-O 3.46Å |
| 401 | E | 85.4 | Confident | 91.8 | Very high | 53 Ų | 53 | 15.5 Ų | 15.5 | 25% | 0.248 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 26 | -174.3 | -59.3 | 174.6 | 173.2 | 0 | 0 | 114.3 | R88 K428 R429 L601 | R88-E401 VanDerWaalsContact CD-CD 3.41Å; R88-E401 WeakPolarHBondContact CD-OE1 3.37Å; R88-E401 IonicContact CZ-OE1 3.27Å; R88-E401 IonicContact NE-OE1 3.91Å; R88-E401 VanDerWaalsContact NH1-CD 3.31Å; R88-E401 VanDerWaalsContact NH1-CG 3.25Å; R88-E401 IonicContact NH1-OE1 2.74Å; R88-E401 PolarHBondContact NH1-OE1 3.44Å; E401-K428 PolarHBondContact N-O 3.05Å; E401-R429 HydrophobicContact CG-CB 4.32Å; E401-L601 WeakPolarHBondContact OE1-CD2 3.29Å |
| 402 | S | 88.4 | Confident | 91.7 | Very high | 2 Ų | 2 | 16.1 Ų | 16.1 | 1% | 0.014 | 9% | 0.085 | C | C | . | . | trans | -77.4 | 148.2 | 173.1 | -65.8 | 0 | 0 | 0 | 0 | 112.3 | P399 P400 S430 K431 | P399-S402 WeakPolarHBondContact O-CB 3.2Å; P399-S402 PolarHBondContact O-N 2.86Å; P399-S402 PolarHBondContact O-OG 2.88Å; P400-S402 PolarHBondContact O-N 2.95Å; S402-S430 PolarHBondContact N-OG 3.36Å; S402-S430 CarbonylContact O-C 3.59Å; S402-S430 VanDerWaalsContact O-CA 3.24Å; S402-S430 WeakPolarHBondContact O-CA 3.44Å; S402-S430 WeakPolarHBondContact O-CB 3.21Å; S402-K431 PolarHBondContact O-N 2.9Å | ||
| 403 | E | 90.1 | Very high | 91.5 | Very high | 15 Ų | 15 | 18.5 Ų | 18.5 | 7% | 0.07 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 122.4 | 165.5 | -62.5 | -70.5 | 157.8 | 0 | 0 | 108.8 | F405 K431 N493 | E403-F405 HydrophobicContact CB-CE2 3.59Å; E403-F405 HydrophobicContact CB-CZ 3.66Å; E403-F405 HydrophobicContact CG-CZ 4.4Å; E403-K431 VanDerWaalsContact OE1-CD 3.26Å; E403-K431 WeakPolarHBondContact OE1-CD 3.44Å; E403-K431 WeakPolarHBondContact OE1-CE 3.31Å; E403-K431 IonicContact OE1-NZ 2.82Å; E403-K431 PolarHBondContact OE1-NZ 3Å; E403-K431 WeakPolarHBondContact OE2-CB 3.49Å; E403-N493 HydrophobicContact CG-CB 4.28Å |
| 404 | I | 95.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 120.7 | 178.7 | -56.6 | -176.9 | 0 | 0 | 0 | 108.7 | V309 V311 L395 V406 K431 I432 T433 | V309-I404 HydrophobicContact CB-CB 4.49Å; V309-I404 HydrophobicContact CB-CG1 4.09Å; V309-I404 HydrophobicContact CG1-CB 4.46Å; V309-I404 HydrophobicContact CG1-CG1 4.05Å; V309-I404 HydrophobicContact CG1-CG2 4.1Å; V309-I404 HydrophobicContact CG2-CG1 4.48Å; V311-I404 HydrophobicContact CG2-CG2 3.69Å; L395-I404 HydrophobicContact CD2-CD1 3.54Å; L395-I404 HydrophobicContact CG-CD1 3.77Å; I404-V406 HydrophobicContact CG2-CG2 4.31Å; I404-K431 PolarHBondContact N-O 3.38Å; I404-I432 HydrophobicContact CB-CG1 4.39Å; I404-I432 WeakPolarHBondContact O-CA 3.27Å; I404-T433 PolarHBondContact O-N 3.11Å |
| 405 | F | 96.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 116.3 | 179.6 | -57.2 | -81 | 0 | 0 | 0 | 109.9 | L308 V309 V311 E403 F407 T433 V490 N493 T494 | L308-F405 HydrophobicContact CD1-CE2 4.43Å; V309-F405 PolarHBondContact O-N 3.45Å; V311-F405 PolarHBondContact N-O 2.94Å; E403-F405 HydrophobicContact CB-CE2 3.59Å; E403-F405 HydrophobicContact CB-CZ 3.66Å; E403-F405 HydrophobicContact CG-CZ 4.4Å; F405-F407 HydrophobicContact CB-CE2 4.05Å; F405-T433 WeakPolarHBondContact CA-O 3.25Å; F405-T433 HydrophobicContact CD1-CG2 4.32Å; F405-V490 HydrophobicContact CB-CG2 4.45Å; F405-V490 HydrophobicContact CD1-CB 4.3Å; F405-V490 HydrophobicContact CD1-CG1 4.24Å; F405-V490 HydrophobicContact CD1-CG2 3.79Å; F405-V490 HydrophobicContact CD2-CG1 3.76Å; F405-V490 HydrophobicContact CE1-CB 4.27Å; F405-V490 HydrophobicContact CE1-CG1 4.28Å; F405-V490 HydrophobicContact CE1-CG2 4.2Å; F405-V490 HydrophobicContact CE2-CG1 3.8Å; F405-V490 HydrophobicContact CG-CB 4.48Å; F405-V490 HydrophobicContact CG-CG1 3.98Å; F405-V490 HydrophobicContact CG-CG2 4.01Å; F405-V490 HydrophobicContact CZ-CB 4.43Å; F405-V490 HydrophobicContact CZ-CG1 4.06Å; F405-N493 HydrophobicContact CE1-CB 4.39Å; F405-N493 HydrophobicContact CZ-CB 4.01Å; F405-T494 HydrophobicContact CE2-CG2 3.48Å; F405-T494 VanDerWaalsContact CE2-CG2 3.48Å; F405-T494 HydrophobicContact CZ-CG2 3.77Å |
| 406 | V | 97.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 122.9 | -179 | -169.7 | 0 | 0 | 0 | 0 | 108.8 | V311 I391 I404 T408 I432 T433 F434 L435 | V311-V406 HydrophobicContact CB-CB 4.48Å; V311-V406 HydrophobicContact CB-CG1 4.31Å; V311-V406 HydrophobicContact CB-CG2 4.18Å; V311-V406 HydrophobicContact CG1-CG1 4.37Å; V311-V406 CarbonylContact O-C 3.53Å; V311-V406 WeakPolarHBondContact O-CA 3.46Å; I391-V406 HydrophobicContact CD1-CG1 4.3Å; I391-V406 HydrophobicContact CD1-CG2 3.88Å; I391-V406 HydrophobicContact CG1-CG2 3.94Å; I404-V406 HydrophobicContact CG2-CG2 4.31Å; V406-T408 HydrophobicContact CG1-CG2 4.42Å; V406-I432 HydrophobicContact CG2-CG2 3.71Å; V406-T433 PolarHBondContact N-O 2.83Å; V406-F434 HydrophobicContact CB-CD1 3.62Å; V406-F434 HydrophobicContact CB-CE1 3.89Å; V406-F434 HydrophobicContact CB-CG 4.22Å; V406-F434 HydrophobicContact CG1-CD1 3.75Å; V406-F434 HydrophobicContact CG1-CE1 3.81Å; V406-F434 HydrophobicContact CG2-CD1 4.1Å; V406-F434 HydrophobicContact CG2-CE1 3.95Å; V406-F434 HydrophobicContact CG2-CZ 4.32Å; V406-F434 CarbonylContact O-C 3.43Å; V406-F434 WeakPolarHBondContact O-CA 3.44Å; V406-L435 PolarHBondContact O-N 3.48Å |
| 407 | F | 96.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 122 | 174.8 | -69.9 | -111.7 | 0 | 0 | 0 | 108.5 | F310 V311 M312 D313 M318 E321 A325 F405 L435 I483 V490 | F310-F407 HydrophobicContact CD1-CD2 4.25Å; F310-F407 AromaticContact CD1-CE2 3.68Å; F310-F407 HydrophobicContact CD1-CE2 3.68Å; F310-F407 AromaticContact CE1-CE2 3.76Å; F310-F407 HydrophobicContact CE1-CE2 3.76Å; F310-F407 HydrophobicContact CE1-CZ 4.2Å; V311-F407 PolarHBondContact O-N 3.23Å; M312-F407 HydrophobicContact CE-CB 3.65Å; M312-F407 HydrophobicContact CE-CD1 4.34Å; M312-F407 HydrophobicContact CE-CD2 4.13Å; M312-F407 HydrophobicContact CE-CG 3.82Å; M312-F407 HydrophobicContact SD-CB 3.81Å; M312-F407 HydrophobicContact SD-CD2 3.47Å; M312-F407 WeakPolarHBondContact SD-CD2 3.47Å; M312-F407 HydrophobicContact SD-CE2 4.17Å; M312-F407 HydrophobicContact SD-CG 3.78Å; D313-F407 VanDerWaalsContact CB-O 3.25Å; D313-F407 WeakPolarHBondContact CB-O 3.32Å; D313-F407 PolarHBondContact N-O 2.83Å; M318-F407 VanDerWaalsContact CE-C 3.49Å; M318-F407 HydrophobicContact CE-CB 3.83Å; M318-F407 WeakPolarHBondContact CE-O 3.3Å; E321-F407 HydrophobicContact CB-CD1 4.2Å; A325-F407 HydrophobicContact CB-CE1 4.2Å; A325-F407 HydrophobicContact CB-CE2 4.21Å; A325-F407 HydrophobicContact CB-CZ 3.98Å; F405-F407 HydrophobicContact CB-CE2 4.05Å; F407-L435 HydrophobicContact CD1-CB 4.06Å; F407-L435 HydrophobicContact CD1-CD1 4.14Å; F407-L435 HydrophobicContact CD2-CD1 4.31Å; F407-L435 HydrophobicContact CE1-CB 4.26Å; F407-L435 HydrophobicContact CE1-CD1 3.53Å; F407-L435 HydrophobicContact CE2-CD1 3.71Å; F407-L435 HydrophobicContact CG-CB 4.31Å; F407-L435 HydrophobicContact CZ-CD1 3.29Å; F407-I483 HydrophobicContact CD1-CD1 4.25Å; F407-I483 HydrophobicContact CE1-CD1 4.14Å; F407-I483 HydrophobicContact CE1-CG1 4.48Å; F407-V490 HydrophobicContact CZ-CG2 4.2Å |
| 408 | T | 94.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 147.6 | 177.1 | -179.8 | 0 | 0 | 0 | 0 | 111 | D313 V406 A410 L435 L436 T437 Y464 | D313-T408 PolarHBondContact OD2-OG1 2.83Å; V406-T408 HydrophobicContact CG1-CG2 4.42Å; T408-A410 PolarHBondContact OG1-N 3.37Å; T408-A410 PolarHBondContact OG1-O 2.8Å; T408-L435 PolarHBondContact N-O 2.92Å; T408-L436 HydrophobicContact CG2-CD2 3.68Å; T408-L436 WeakPolarHBondContact O-CA 3.32Å; T408-T437 PolarHBondContact O-N 2.81Å; T408-Y464 HydrophobicContact CG2-CE2 3.82Å |
| 409 | D | 91.5 | Very high | 91.6 | Very high | 37 Ų | 37 | 26.6 Ų | 26.6 | 20% | 0.198 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -101.1 | 9 | 168.7 | 70.9 | -17.1 | 0 | 0 | 0 | 112 | S317 M318 T437 R460 | S317-D409 WeakPolarHBondContact CB-OD2 3.4Å; S317-D409 PolarHBondContact OG-OD2 2.89Å; M318-D409 HydrophobicContact SD-CB 4.28Å; D409-T437 WeakPolarHBondContact CA-O 3.32Å; D409-T437 WeakPolarHBondContact CB-O 3.42Å; D409-R460 PolarHBondContact O-NH2 3.34Å |
| 410 | A | 91.1 | Very high | 91.8 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 3% | 0.033 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -126.2 | 148.8 | -166.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | E383 E385 T408 Y464 | E383-A410 HydrophobicContact CG-CB 4.22Å; E385-A410 HydrophobicContact CB-CB 4.03Å; E385-A410 HydrophobicContact CG-CB 3.34Å; T408-A410 PolarHBondContact OG1-N 3.37Å; T408-A410 PolarHBondContact OG1-O 2.8Å; A410-Y464 VanDerWaalsContact O-CE2 3.26Å; A410-Y464 WeakPolarHBondContact O-CE2 3.34Å; A410-Y464 PolarHBondContact O-OH 2.83Å |
| 411 | S | 92.4 | Very high | 92.3 | Very high | 14 Ų | 14 | 23.9 Ų | 23.9 | 10% | 0.098 | 12% | 0.119 | C | C | . | . | trans | -79.1 | 157.9 | 175.2 | 59 | 0 | 0 | 0 | 0 | 112.6 | E383 P384 E385 R460 | E383-S411 WeakPolarHBondContact OE1-CB 3.47Å; E383-S411 PolarHBondContact OE1-N 3.12Å; E383-S411 PolarHBondContact OE1-OG 3.2Å; P384-S411 CarbonylContact C-O 3.54Å; P384-S411 VanDerWaalsContact CA-O 3.27Å; P384-S411 WeakPolarHBondContact CA-O 3.21Å; P384-S411 WeakPolarHBondContact CB-O 3.41Å; E385-S411 PolarHBondContact N-O 2.65Å; S411-R460 VanDerWaalsContact CB-O 3.23Å; S411-R460 WeakPolarHBondContact CB-O 3.19Å | ||
| 412 | P | 93.2 | Very high | 92.7 | Very high | 14 Ų | 14 | 22.4 Ų | 22.4 | 9% | 0.091 | 11% | 0.112 | C | C | . | . | B | Isolated β-bridge | trans | -85.4 | 127 | -172.1 | 31.2 | -32.3 | 0 | 0 | 0 | 113.3 | E385 C387 F388 L463 Y464 | E385-P412 CarbonylContact O-C 3.42Å; E385-P412 WeakPolarHBondContact O-CA 3.46Å; C387-P412 HydrophobicContact CB-CB 4.24Å; F388-P412 HydrophobicContact CD2-CB 3.64Å; F388-P412 HydrophobicContact CD2-CG 4.09Å; F388-P412 HydrophobicContact CE2-CB 3.51Å; F388-P412 HydrophobicContact CE2-CG 3.42Å; F388-P412 VanDerWaalsContact CE2-CG 3.42Å; F388-P412 HydrophobicContact CG-CB 4.47Å; F388-P412 HydrophobicContact CZ-CB 4.23Å; F388-P412 HydrophobicContact CZ-CG 3.96Å; P412-L463 HydrophobicContact CG-CD1 4.2Å; P412-Y464 HydrophobicContact CB-CE1 3.85Å; P412-Y464 HydrophobicContact CG-CD1 4.4Å; P412-Y464 HydrophobicContact CG-CE1 3.67Å |
| 413 | K | 92.1 | Very high | 92.9 | Very high | 66 Ų | 66 | 22.4 Ų | 22.4 | 29% | 0.287 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -29.4 | 178.7 | -169.3 | 162.1 | -107.9 | 154.3 | 0 | 111.5 | D353 D382 P384 E385 M386 A415 | D353-K413 WeakPolarHBondContact OD1-CD 3.41Å; D353-K413 IonicContact OD1-NZ 3.74Å; D353-K413 PolarHBondContact OD1-NZ 3.48Å; D353-K413 IonicContact OD2-NZ 2.72Å; D353-K413 PolarHBondContact OD2-NZ 3.35Å; D382-K413 PolarHBondContact O-NZ 3.45Å; D382-K413 IonicContact OD1-NZ 2.73Å; D382-K413 PolarHBondContact OD1-NZ 2.98Å; P384-K413 HydrophobicContact CB-CB 3.9Å; P384-K413 HydrophobicContact CG-CB 3.72Å; P384-K413 HydrophobicContact CG-CD 4.42Å; P384-K413 HydrophobicContact CG-CG 3.94Å; P384-K413 VanDerWaalsContact O-CD 3.23Å; P384-K413 WeakPolarHBondContact O-CD 3.39Å; P384-K413 WeakPolarHBondContact O-CE 3.25Å; P384-K413 PolarHBondContact O-NZ 3.16Å; E385-K413 WeakPolarHBondContact O-CB 3.11Å; E385-K413 PolarHBondContact O-N 2.8Å; M386-K413 HydrophobicContact SD-CB 4.13Å; M386-K413 HydrophobicContact SD-CD 4.45Å; M386-K413 HydrophobicContact SD-CG 4.32Å; K413-A415 PolarHBondContact O-N 2.89Å |
| 414 | D | 92.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 34.9 | -176.5 | 52.6 | 4.4 | 0 | 0 | 0 | 113.2 | M386 C387 F388 S389 Y416 L417 | M386-D414 HydrophobicContact CE-CB 4.02Å; M386-D414 HydrophobicContact SD-CB 4.15Å; C387-D414 PolarHBondContact N-OD1 3.13Å; F388-D414 WeakPolarHBondContact CB-OD1 3.02Å; F388-D414 PolarHBondContact N-OD1 3.39Å; F388-D414 PolarHBondContact N-OD2 2.98Å; F388-D414 VanDerWaalsContact N-OD2 3.11Å; S389-D414 VanDerWaalsContact CB-OD2 3.28Å; S389-D414 WeakPolarHBondContact CB-OD2 3.49Å; S389-D414 PolarHBondContact N-OD2 3.31Å; S389-D414 PolarHBondContact OG-OD2 3.38Å; D414-Y416 HydrophobicContact CB-CD1 4.48Å; D414-Y416 HydrophobicContact CB-CE1 3.91Å; D414-Y416 PolarHBondContact O-N 3.16Å; D414-L417 HydrophobicContact CB-CD1 4.22Å; D414-L417 WeakPolarHBondContact O-CB 3.18Å; D414-L417 PolarHBondContact O-N 3.27Å |
| 415 | A | 91.9 | Very high | 93 | Very high | 42 Ų | 42 | 21.8 Ų | 21.8 | 35% | 0.347 | 11% | 0.109 | S | C | . | . | G | 310 helix | trans | -52.1 | -20.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | K413 L417 F418 L463 | K413-A415 PolarHBondContact O-N 2.89Å; A415-L417 PolarHBondContact O-N 2.75Å; A415-F418 VanDerWaalsContact O-CB 3.26Å; A415-F418 WeakPolarHBondContact O-CB 3.28Å; A415-F418 PolarHBondContact O-N 3.18Å; A415-L463 HydrophobicContact CB-CD1 3.66Å |
| 416 | Y | 88.6 | Confident | 92.8 | Very high | 163 Ų | 163 | 22.5 Ų | 22.5 | 64% | 0.639 | 11% | 0.113 | S | C | * | . | G | 310 helix | trans | -66.8 | -19.7 | 173.9 | 69.5 | -91.1 | 0 | 0 | 0 | 113.8 | D414 F418 | D414-Y416 HydrophobicContact CB-CD1 4.48Å; D414-Y416 HydrophobicContact CB-CE1 3.91Å; D414-Y416 PolarHBondContact O-N 3.16Å; Y416-F418 VanDerWaalsContact C-N 3.33Å |
| 417 | L | 91.5 | Very high | 92.4 | Very high | 5 Ų | 5 | 24.1 Ų | 24.1 | 3% | 0.026 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -82.5 | -6.2 | 174.7 | -67.5 | 178.3 | 0 | 0 | 0 | 113.6 | F388 S389 D414 A415 D419 A420 V421 | F388-L417 HydrophobicContact CB-CB 3.93Å; S389-L417 VanDerWaalsContact OG-CD1 3.25Å; S389-L417 WeakPolarHBondContact OG-CD1 3.45Å; D414-L417 HydrophobicContact CB-CD1 4.22Å; D414-L417 WeakPolarHBondContact O-CB 3.18Å; D414-L417 PolarHBondContact O-N 3.27Å; A415-L417 PolarHBondContact O-N 2.75Å; L417-D419 VanDerWaalsContact C-N 3.32Å; L417-D419 PolarHBondContact O-N 3.11Å; L417-A420 PolarHBondContact O-N 3.5Å; L417-V421 HydrophobicContact CB-CG2 4.42Å; L417-V421 PolarHBondContact O-N 2.76Å |
| 418 | F | 92.3 | Very high | 92 | Very high | 33 Ų | 33 | 24.8 Ų | 24.8 | 15% | 0.145 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -50.7 | -47.4 | -173.7 | 175 | -94.7 | 0 | 0 | 0 | 113.1 | F388 A415 Y416 V421 K422 L463 L467 | F388-F418 HydrophobicContact CE1-CD2 4.42Å; F388-F418 HydrophobicContact CE2-CB 4.43Å; F388-F418 HydrophobicContact CE2-CD2 4.37Å; F388-F418 AromaticContact CZ-CD2 3.94Å; F388-F418 HydrophobicContact CZ-CD2 3.94Å; A415-F418 VanDerWaalsContact O-CB 3.26Å; A415-F418 WeakPolarHBondContact O-CB 3.28Å; A415-F418 PolarHBondContact O-N 3.18Å; Y416-F418 VanDerWaalsContact C-N 3.33Å; F418-V421 PolarHBondContact O-N 2.88Å; F418-K422 HydrophobicContact CE1-CD 4.02Å; F418-K422 WeakPolarHBondContact O-CB 3.31Å; F418-K422 PolarHBondContact O-N 3.14Å; F418-L463 HydrophobicContact CD2-CB 4.07Å; F418-L463 HydrophobicContact CD2-CD2 4.06Å; F418-L463 HydrophobicContact CE2-CB 4.21Å; F418-L463 HydrophobicContact CE2-CD2 4.2Å; F418-L463 WeakPolarHBondContact CE2-O 3.12Å; F418-L463 HydrophobicContact CG-CD2 4.39Å; F418-L467 HydrophobicContact CE2-CB 3.95Å |
| 419 | D | 90.3 | Very high | 91.8 | Very high | 45 Ų | 45 | 27 Ų | 27 | 24% | 0.241 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69.4 | -33.9 | -179.2 | -74.4 | -42.4 | 0 | 0 | 0 | 112.9 | L417 A423 T796 | L417-D419 VanDerWaalsContact C-N 3.32Å; L417-D419 PolarHBondContact O-N 3.11Å; D419-A423 VanDerWaalsContact O-CB 3.24Å; D419-A423 WeakPolarHBondContact O-CB 3.38Å; D419-A423 PolarHBondContact O-N 2.82Å; D419-T796 HydrophobicContact CB-CG2 4.13Å |
| 420 | A | 91.1 | Very high | 91.8 | Very high | 8 Ų | 8 | 25.2 Ų | 25.2 | 7% | 0.066 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -69.6 | -44.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | L417 A423 L424 D751 T794 | L417-A420 PolarHBondContact O-N 3.5Å; A420-A423 PolarHBondContact O-N 3.36Å; A420-L424 WeakPolarHBondContact O-CB 3.42Å; A420-L424 WeakPolarHBondContact O-CG 3.24Å; A420-L424 PolarHBondContact O-N 2.89Å; A420-D751 HydrophobicContact CB-CB 4.09Å; A420-T794 HydrophobicContact CB-CG2 4.2Å |
| 421 | V | 95.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.1 | -45.2 | 173.9 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | F388 I391 Q392 L395 L417 F418 L424 A425 I432 L467 | F388-V421 HydrophobicContact CB-CG2 4.07Å; F388-V421 HydrophobicContact CD1-CG1 4.3Å; F388-V421 HydrophobicContact CD1-CG2 4.39Å; F388-V421 WeakPolarHBondContact O-CG2 3.28Å; I391-V421 HydrophobicContact CB-CG1 4.32Å; I391-V421 HydrophobicContact CG2-CG1 3.56Å; Q392-V421 HydrophobicContact CB-CG2 3.91Å; L395-V421 HydrophobicContact CD1-CG1 3.93Å; L395-V421 WeakPolarHBondContact CD1-O 3.3Å; L417-V421 HydrophobicContact CB-CG2 4.42Å; L417-V421 PolarHBondContact O-N 2.76Å; F418-V421 PolarHBondContact O-N 2.88Å; V421-L424 PolarHBondContact O-N 2.99Å; V421-A425 VanDerWaalsContact O-CB 3.31Å; V421-A425 WeakPolarHBondContact O-CB 3.41Å; V421-A425 PolarHBondContact O-N 3.47Å; V421-I432 HydrophobicContact CG1-CD1 4.32Å; V421-L467 HydrophobicContact CG1-CD1 4.18Å; V421-L467 HydrophobicContact CG1-CD2 3.5Å; V421-L467 HydrophobicContact CG1-CG 4.49Å |
| 422 | K | 94.3 | Very high | 92.1 | Very high | 23 Ų | 23 | 25.1 Ų | 25.1 | 10% | 0.1 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59 | -47 | 175.3 | 174.3 | -172.1 | 170 | -165.5 | 0 | 111.8 | F418 A425 L426 L467 V470 S805 | F418-K422 HydrophobicContact CE1-CD 4.02Å; F418-K422 WeakPolarHBondContact O-CB 3.31Å; F418-K422 PolarHBondContact O-N 3.14Å; K422-A425 PolarHBondContact O-N 3.04Å; K422-L426 HydrophobicContact CG-CD1 4.24Å; K422-L426 WeakPolarHBondContact O-CB 3.3Å; K422-L426 WeakPolarHBondContact O-CG 2.97Å; K422-L426 PolarHBondContact O-N 2.97Å; K422-L467 HydrophobicContact CB-CD1 4.06Å; K422-V470 HydrophobicContact CG-CG1 4.38Å; K422-S805 PolarHBondContact NZ-OG 3.14Å |
| 423 | A | 92.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.008 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.6 | -46.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D419 A420 L426 E427 T794 T796 Y807 | D419-A423 VanDerWaalsContact O-CB 3.24Å; D419-A423 WeakPolarHBondContact O-CB 3.38Å; D419-A423 PolarHBondContact O-N 2.82Å; A420-A423 PolarHBondContact O-N 3.36Å; A423-L426 PolarHBondContact O-N 2.76Å; A423-E427 PolarHBondContact O-N 2.87Å; A423-T794 HydrophobicContact CB-CG2 3.69Å; A423-T796 HydrophobicContact CB-CG2 4.1Å; A423-Y807 VanDerWaalsContact CB-CB 3.49Å; A423-Y807 HydrophobicContact CB-CD1 4.05Å; A423-Y807 HydrophobicContact CB-CD2 3.67Å; A423-Y807 HydrophobicContact CB-CE2 4.42Å; A423-Y807 HydrophobicContact CB-CG 3.45Å; A423-Y807 VanDerWaalsContact CB-CG 3.45Å |
| 424 | L | 92.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65 | -41.5 | 177.7 | -72.5 | 172.6 | 0 | 0 | 0 | 112.6 | Q392 L395 A420 V421 L426 K428 T792 T794 V809 | Q392-L424 HydrophobicContact CG-CD1 3.91Å; L395-L424 HydrophobicContact CB-CB 4.36Å; L395-L424 HydrophobicContact CD1-CB 3.96Å; A420-L424 WeakPolarHBondContact O-CB 3.42Å; A420-L424 WeakPolarHBondContact O-CG 3.24Å; A420-L424 PolarHBondContact O-N 2.89Å; V421-L424 PolarHBondContact O-N 2.99Å; L424-L426 VanDerWaalsContact C-N 3.34Å; L424-L426 PolarHBondContact O-N 2.72Å; L424-K428 WeakPolarHBondContact O-CB 3.37Å; L424-K428 PolarHBondContact O-N 2.58Å; L424-T792 HydrophobicContact CD2-CG2 3.54Å; L424-T794 WeakPolarHBondContact CD2-OG1 3.24Å; L424-T794 HydrophobicContact CG-CG2 4.43Å; L424-V809 HydrophobicContact CD2-CG1 4.05Å; L424-V809 HydrophobicContact CD2-CG2 4.24Å |
| 425 | A | 94.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.008 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.8 | -42.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L395 V421 K422 R429 S430 I432 | L395-A425 HydrophobicContact CD1-CB 4.19Å; L395-A425 HydrophobicContact CD2-CB 4.28Å; V421-A425 VanDerWaalsContact O-CB 3.31Å; V421-A425 WeakPolarHBondContact O-CB 3.41Å; V421-A425 PolarHBondContact O-N 3.47Å; K422-A425 PolarHBondContact O-N 3.04Å; A425-R429 CarbonylContact O-C 3.48Å; A425-R429 VanDerWaalsContact O-CA 3.28Å; A425-R429 WeakPolarHBondContact O-CA 3.5Å; A425-R429 PolarHBondContact O-N 2.94Å; A425-S430 PolarHBondContact O-N 2.87Å; A425-I432 HydrophobicContact CB-CD1 3.76Å |
| 426 | L | 92.3 | Very high | 92.4 | Very high | 15 Ų | 15 | 19.4 Ų | 19.4 | 8% | 0.079 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -69.9 | -46.7 | 177.5 | -71.8 | 173.7 | 0 | 0 | 0 | 112.7 | K422 A423 L424 K428 R429 V470 E708 Y807 | K422-L426 HydrophobicContact CG-CD1 4.24Å; K422-L426 WeakPolarHBondContact O-CB 3.3Å; K422-L426 WeakPolarHBondContact O-CG 2.97Å; K422-L426 PolarHBondContact O-N 2.97Å; A423-L426 PolarHBondContact O-N 2.76Å; L424-L426 VanDerWaalsContact C-N 3.34Å; L424-L426 PolarHBondContact O-N 2.72Å; L426-K428 PolarHBondContact O-N 2.87Å; L426-R429 PolarHBondContact O-N 2.83Å; L426-V470 HydrophobicContact CD1-CG1 3.9Å; L426-V470 HydrophobicContact CD2-CG1 3.79Å; L426-V470 HydrophobicContact CG-CG1 4.06Å; L426-E708 HydrophobicContact CD2-CB 3.84Å; L426-E708 HydrophobicContact CD2-CG 4.22Å; L426-Y807 HydrophobicContact CB-CE1 4.09Å; L426-Y807 VanDerWaalsContact CB-OH 3.27Å; L426-Y807 WeakPolarHBondContact CB-OH 3.43Å; L426-Y807 HydrophobicContact CD1-CE1 3.84Å |
| 427 | E | 89.3 | Confident | 92.4 | Very high | 33 Ų | 33 | 11.7 Ų | 11.7 | 15% | 0.154 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -61 | -44.4 | 177.5 | -177.8 | 57.9 | -148.3 | 0 | 0 | 111.7 | A423 R429 R617 Y807 V809 | A423-E427 PolarHBondContact O-N 2.87Å; E427-R429 VanDerWaalsContact C-N 3.26Å; E427-R429 PolarHBondContact O-N 3.1Å; E427-R617 IonicContact OE1-CZ 2.68Å; E427-R617 IonicContact OE1-NH1 2.97Å; E427-R617 PolarHBondContact OE1-NH1 3.06Å; E427-R617 VanDerWaalsContact OE1-NH1 3.11Å; E427-R617 IonicContact OE1-NH2 3.81Å; E427-R617 PolarHBondContact OE1-NH2 3.17Å; E427-R617 IonicContact OE2-NH2 2.9Å; E427-R617 PolarHBondContact OE2-NH2 2.75Å; E427-Y807 HydrophobicContact CB-CE2 4.16Å; E427-V809 HydrophobicContact CB-CG2 4.02Å; E427-V809 HydrophobicContact CG-CB 4.13Å; E427-V809 HydrophobicContact CG-CG2 4.19Å |
| 428 | K | 88.5 | Confident | 91.9 | Very high | 15 Ų | 15 | 15.6 Ų | 15.6 | 7% | 0.065 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -5.6 | 175.8 | -71 | -162.3 | 173.5 | -168.7 | 0 | 113.7 | L395 S396 S398 P400 E401 L424 L426 S430 | L395-K428 VanDerWaalsContact O-CD 3.24Å; L395-K428 WeakPolarHBondContact O-CD 3.39Å; L395-K428 VanDerWaalsContact O-CE 3.23Å; L395-K428 WeakPolarHBondContact O-CE 3.4Å; L395-K428 PolarHBondContact O-NZ 3.32Å; S396-K428 PolarHBondContact O-NZ 2.95Å; S398-K428 PolarHBondContact O-NZ 2.79Å; P400-K428 CarbonylContact C-O 3.57Å; P400-K428 VanDerWaalsContact CA-O 3.29Å; P400-K428 WeakPolarHBondContact CA-O 3.17Å; P400-K428 WeakPolarHBondContact CB-O 3.46Å; E401-K428 PolarHBondContact N-O 3.05Å; L424-K428 WeakPolarHBondContact O-CB 3.37Å; L424-K428 PolarHBondContact O-N 2.58Å; L426-K428 PolarHBondContact O-N 2.87Å; K428-S430 WeakPolarHBondContact CB-OG 3.2Å; K428-S430 PolarHBondContact O-N 3.17Å; K428-S430 VanDerWaalsContact O-N 3.16Å; K428-S430 PolarHBondContact O-OG 2.9Å |
| 429 | R | 89.9 | Confident | 90.5 | Very high | 45 Ų | 45 | 22.2 Ų | 22.2 | 17% | 0.17 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.3 | 38.8 | -168.9 | -62.5 | -168.8 | 171.2 | 124.2 | 5.9 | 113.3 | E401 A425 L426 E427 Y602 E708 | E401-R429 HydrophobicContact CG-CB 4.32Å; A425-R429 CarbonylContact O-C 3.48Å; A425-R429 VanDerWaalsContact O-CA 3.28Å; A425-R429 WeakPolarHBondContact O-CA 3.5Å; A425-R429 PolarHBondContact O-N 2.94Å; L426-R429 PolarHBondContact O-N 2.83Å; E427-R429 VanDerWaalsContact C-N 3.26Å; E427-R429 PolarHBondContact O-N 3.1Å; R429-Y602 VanDerWaalsContact CZ-O 3.25Å; R429-Y602 PolarHBondContact NH1-O 3.44Å; R429-Y602 PolarHBondContact NH2-O 3.41Å; R429-E708 WeakPolarHBondContact CD-OE1 3.41Å; R429-E708 IonicContact CZ-OE1 2.57Å; R429-E708 IonicContact NE-OE1 3.62Å; R429-E708 PolarHBondContact NE-OE1 2.88Å; R429-E708 IonicContact NH2-OE1 3.48Å |
| 430 | S | 91.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -92.6 | 130.6 | -178.6 | -62.2 | 0 | 0 | 0 | 0 | 109.6 | S402 A425 K428 | S402-S430 PolarHBondContact N-OG 3.36Å; S402-S430 CarbonylContact O-C 3.59Å; S402-S430 VanDerWaalsContact O-CA 3.24Å; S402-S430 WeakPolarHBondContact O-CA 3.44Å; S402-S430 WeakPolarHBondContact O-CB 3.21Å; A425-S430 PolarHBondContact O-N 2.87Å; K428-S430 WeakPolarHBondContact CB-OG 3.2Å; K428-S430 PolarHBondContact O-N 3.17Å; K428-S430 VanDerWaalsContact O-N 3.16Å; K428-S430 PolarHBondContact O-OG 2.9Å | ||
| 431 | K | 92.9 | Very high | 86.2 | Confident | 17 Ų | 17 | 31.2 Ų | 31.2 | 7% | 0.074 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 140.1 | 178.7 | -58.6 | -169.9 | -155.9 | 139.4 | 0 | 109.8 | S402 E403 I404 T707 | S402-K431 PolarHBondContact O-N 2.9Å; E403-K431 VanDerWaalsContact OE1-CD 3.26Å; E403-K431 WeakPolarHBondContact OE1-CD 3.44Å; E403-K431 WeakPolarHBondContact OE1-CE 3.31Å; E403-K431 IonicContact OE1-NZ 2.82Å; E403-K431 PolarHBondContact OE1-NZ 3Å; E403-K431 WeakPolarHBondContact OE2-CB 3.49Å; I404-K431 PolarHBondContact N-O 3.38Å; K431-T707 HydrophobicContact CD-CG2 4.4Å |
| 432 | I | 96 | Very high | 83.5 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 110.1 | 176.9 | -54.1 | 171.2 | 0 | 0 | 0 | 107.9 | I391 L395 I404 V406 V421 A425 F434 L467 S468 S471 G473 | I391-I432 HydrophobicContact CG2-CD1 3.81Å; L395-I432 HydrophobicContact CD1-CD1 4.21Å; I404-I432 HydrophobicContact CB-CG1 4.39Å; I404-I432 WeakPolarHBondContact O-CA 3.27Å; V406-I432 HydrophobicContact CG2-CG2 3.71Å; V421-I432 HydrophobicContact CG1-CD1 4.32Å; A425-I432 HydrophobicContact CB-CD1 3.76Å; I432-F434 HydrophobicContact CB-CE2 4.35Å; I432-F434 HydrophobicContact CG2-CD2 4.13Å; I432-F434 HydrophobicContact CG2-CE2 3.48Å; I432-F434 VanDerWaalsContact CG2-CE2 3.48Å; I432-F434 HydrophobicContact CG2-CZ 3.76Å; I432-L467 HydrophobicContact CD1-CD1 4.14Å; I432-L467 HydrophobicContact CD1-CD2 3.81Å; I432-L467 HydrophobicContact CD1-CG 3.94Å; I432-S468 WeakPolarHBondContact O-CA 3.02Å; I432-S468 WeakPolarHBondContact O-CB 3.11Å; I432-S471 PolarHBondContact N-OG 3.26Å; I432-G473 WeakPolarHBondContact O-CA 3.39Å |
| 433 | T | 95 | Very high | 80.8 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 118.6 | 179.4 | -64.6 | 0 | 0 | 0 | 0 | 109.4 | I404 F405 V406 M474 | I404-T433 PolarHBondContact O-N 3.11Å; F405-T433 WeakPolarHBondContact CA-O 3.25Å; F405-T433 HydrophobicContact CD1-CG2 4.32Å; V406-T433 PolarHBondContact N-O 2.83Å; T433-M474 CarbonylContact C-O 3.42Å; T433-M474 VanDerWaalsContact CA-O 3.27Å; T433-M474 WeakPolarHBondContact CA-O 3.47Å; T433-M474 HydrophobicContact CG2-CB 4.39Å; T433-M474 PolarHBondContact OG1-N 3.29Å |
| 434 | F | 95.3 | Very high | 78.1 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 131.3 | 177.4 | -64.9 | -98.2 | 0 | 0 | 0 | 110.3 | I391 V406 I432 L436 Y464 L467 M474 V476 | I391-F434 HydrophobicContact CD1-CE1 3.74Å; I391-F434 HydrophobicContact CD1-CZ 3.69Å; V406-F434 HydrophobicContact CB-CD1 3.62Å; V406-F434 HydrophobicContact CB-CE1 3.89Å; V406-F434 HydrophobicContact CB-CG 4.22Å; V406-F434 HydrophobicContact CG1-CD1 3.75Å; V406-F434 HydrophobicContact CG1-CE1 3.81Å; V406-F434 HydrophobicContact CG2-CD1 4.1Å; V406-F434 HydrophobicContact CG2-CE1 3.95Å; V406-F434 HydrophobicContact CG2-CZ 4.32Å; V406-F434 CarbonylContact O-C 3.43Å; V406-F434 WeakPolarHBondContact O-CA 3.44Å; I432-F434 HydrophobicContact CB-CE2 4.35Å; I432-F434 HydrophobicContact CG2-CD2 4.13Å; I432-F434 HydrophobicContact CG2-CE2 3.48Å; I432-F434 VanDerWaalsContact CG2-CE2 3.48Å; I432-F434 HydrophobicContact CG2-CZ 3.76Å; F434-L436 HydrophobicContact CB-CD1 4.33Å; F434-L436 HydrophobicContact CB-CD2 3.95Å; F434-L436 HydrophobicContact CB-CG 3.9Å; F434-L436 HydrophobicContact CD1-CD2 4.23Å; F434-Y464 AromaticContact CD1-CD1 3.93Å; F434-Y464 HydrophobicContact CD1-CD1 3.93Å; F434-Y464 AromaticContact CD1-CD2 3.96Å; F434-Y464 HydrophobicContact CD1-CD2 3.96Å; F434-Y464 HydrophobicContact CD1-CE1 4.45Å; F434-Y464 HydrophobicContact CD1-CE2 4.46Å; F434-Y464 AromaticContact CD1-CG 3.65Å; F434-Y464 HydrophobicContact CD1-CG 3.65Å; F434-Y464 AromaticContact CE1-CD1 3.27Å; F434-Y464 HydrophobicContact CE1-CD1 3.27Å; F434-Y464 HydrophobicContact CE1-CD2 4.15Å; F434-Y464 AromaticContact CE1-CE1 3.76Å; F434-Y464 HydrophobicContact CE1-CE1 3.76Å; F434-Y464 AromaticContact CE1-CG 3.5Å; F434-Y464 HydrophobicContact CE1-CG 3.5Å; F434-Y464 HydrophobicContact CG-CG 4.24Å; F434-Y464 AromaticContact CZ-CD1 3.63Å; F434-Y464 HydrophobicContact CZ-CD1 3.63Å; F434-Y464 HydrophobicContact CZ-CE1 4.4Å; F434-Y464 AromaticContact CZ-CG 3.97Å; F434-Y464 HydrophobicContact CZ-CG 3.97Å; F434-L467 HydrophobicContact CE2-CB 4.49Å; F434-L467 HydrophobicContact CE2-CD2 4.34Å; F434-L467 HydrophobicContact CZ-CD2 4.09Å; F434-M474 PolarHBondContact N-O 3.46Å; F434-V476 PolarHBondContact O-N 3.09Å |
| 435 | L | 94.3 | Very high | 75.8 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 98.3 | 168.2 | -75.4 | 162.5 | 0 | 0 | 0 | 106.6 | V406 F407 T408 V476 I483 V486 I489 V490 | V406-L435 PolarHBondContact O-N 3.48Å; F407-L435 HydrophobicContact CD1-CB 4.06Å; F407-L435 HydrophobicContact CD1-CD1 4.14Å; F407-L435 HydrophobicContact CD2-CD1 4.31Å; F407-L435 HydrophobicContact CE1-CB 4.26Å; F407-L435 HydrophobicContact CE1-CD1 3.53Å; F407-L435 HydrophobicContact CE2-CD1 3.71Å; F407-L435 HydrophobicContact CG-CB 4.31Å; F407-L435 HydrophobicContact CZ-CD1 3.29Å; T408-L435 PolarHBondContact N-O 2.92Å; L435-V476 HydrophobicContact CD2-CB 4.22Å; L435-V476 HydrophobicContact CD2-CG1 4.42Å; L435-I483 HydrophobicContact CB-CD1 4.05Å; L435-I483 HydrophobicContact CD2-CD1 4.22Å; L435-V486 HydrophobicContact CD2-CG1 3.69Å; L435-I489 HydrophobicContact CD1-CG2 4.18Å; L435-I489 HydrophobicContact CD2-CG2 3.99Å; L435-I489 HydrophobicContact CG-CG2 4.42Å; L435-V490 HydrophobicContact CD1-CG2 4.05Å |
| 436 | L | 92.5 | Very high | 73.3 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 121 | -172.3 | -57.9 | 176.5 | 0 | 0 | 0 | 109.5 | T408 F434 F461 Y464 V476 F477 T478 | T408-L436 HydrophobicContact CG2-CD2 3.68Å; T408-L436 WeakPolarHBondContact O-CA 3.32Å; F434-L436 HydrophobicContact CB-CD1 4.33Å; F434-L436 HydrophobicContact CB-CD2 3.95Å; F434-L436 HydrophobicContact CB-CG 3.9Å; F434-L436 HydrophobicContact CD1-CD2 4.23Å; L436-F461 HydrophobicContact CD1-CB 4.16Å; L436-F461 HydrophobicContact CD1-CD1 4.22Å; L436-F461 HydrophobicContact CD1-CG 4.18Å; L436-F461 HydrophobicContact CD2-CD1 4.43Å; L436-F461 HydrophobicContact CD2-CE1 4.38Å; L436-Y464 HydrophobicContact CD1-CD2 3.96Å; L436-Y464 HydrophobicContact CD2-CD2 3.56Å; L436-Y464 HydrophobicContact CD2-CE2 3.85Å; L436-Y464 HydrophobicContact CG-CD2 4.42Å; L436-V476 PolarHBondContact N-O 2.9Å; L436-F477 HydrophobicContact CB-CD1 4.2Å; L436-F477 HydrophobicContact CB-CE1 4.46Å; L436-F477 HydrophobicContact CD1-CD1 4.15Å; L436-F477 HydrophobicContact CD1-CE1 3.64Å; L436-F477 HydrophobicContact CD1-CE2 4.38Å; L436-F477 HydrophobicContact CD1-CZ 3.76Å; L436-F477 CarbonylContact O-C 3.58Å; L436-F477 WeakPolarHBondContact O-CA 3.49Å; L436-T478 PolarHBondContact O-N 2.8Å |
| 437 | T | 89.1 | Confident | 71 | Confident | 1 Ų | 1 | 72.1 Ų | 72.1 | 1% | 0.006 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 127.6 | 172.5 | 40.5 | 0 | 0 | 0 | 0 | 111.2 | E321 T408 D409 T478 I483 | E321-T437 HydrophobicContact CG-CG2 4.17Å; E321-T437 VanDerWaalsContact OE1-CB 3.29Å; E321-T437 WeakPolarHBondContact OE1-CB 3.46Å; E321-T437 WeakPolarHBondContact OE1-CG2 3.38Å; E321-T437 PolarHBondContact OE1-OG1 2.99Å; T408-T437 PolarHBondContact O-N 2.81Å; D409-T437 WeakPolarHBondContact CA-O 3.32Å; D409-T437 WeakPolarHBondContact CB-O 3.42Å; T437-T478 WeakPolarHBondContact CA-O 3.39Å; T437-T478 HydrophobicContact CG2-CG2 3.64Å; T437-I483 HydrophobicContact CG2-CB 4.16Å; T437-I483 HydrophobicContact CG2-CD1 4.4Å; T437-I483 HydrophobicContact CG2-CG1 4.42Å |
| 438 | E | 79.5 | Confident | 69.1 | Low | 87 Ų | 87 | 82.1 Ų | 82.1 | 41% | 0.407 | 40% | 0.401 | S | S | . | . | trans | -109.6 | 112.6 | 174.9 | -70.8 | -167.4 | 175 | 0 | 0 | 109.8 | Q440 F461 F477 T478 | E438-Q440 PolarHBondContact O-N 2.72Å; E438-F461 HydrophobicContact CG-CE2 3.88Å; E438-F461 WeakPolarHBondContact OE1-CD2 3.4Å; E438-F461 WeakPolarHBondContact OE1-CE2 3.22Å; E438-F477 HydrophobicContact CG-CD1 4.36Å; E438-F477 WeakPolarHBondContact OE1-CD1 3.34Å; E438-T478 PolarHBondContact N-O 2.97Å; E438-T478 VanDerWaalsContact N-O 3.09Å | ||
| 439 | E | 64.1 | Low | 66.8 | Low | 172 Ų | 172 | 91.3 Ų | 91.3 | 80% | 0.804 | 44% | 0.44 | S | S | * | . | trans | -68.5 | 98.4 | 166.2 | -168 | -178.7 | -145.6 | 0 | 0 | 108.3 | T441 | E439-T441 PolarHBondContact O-N 3.03Š| ||
| 440 | Q | 50 | Low | 64.7 | Low | 110 Ų | 110 | 101.5 Ų | 101.5 | 51% | 0.514 | 48% | 0.479 | S | S | . | . | trans | -55.8 | 109.2 | 170.5 | -71.7 | -178.4 | 36.5 | 0 | 0 | 108.4 | E438 Q442 | E438-Q440 PolarHBondContact O-N 2.72Å; Q440-Q442 PolarHBondContact O-N 2.85Å | ||
| 441 | T | 41.2 | Very low | 62.4 | Low | 133 Ų | 133 | 105.8 Ų | 105.8 | 82% | 0.816 | 51% | 0.509 | S | S | * | . | trans | -63.8 | 87.6 | 163.7 | 56.2 | 0 | 0 | 0 | 0 | 107.3 | E439 K443 | E439-T441 PolarHBondContact O-N 3.03Å; T441-K443 PolarHBondContact O-N 3.04Å | ||
| 442 | Q | 38.7 | Very low | 60 | Low | 150 Ų | 150 | 111.1 Ų | 111.1 | 70% | 0.701 | 55% | 0.548 | S | S | * | . | trans | -51.1 | 145.7 | 175.5 | -73.6 | -168.7 | -6.5 | 0 | 0 | 108.1 | Q440 S444 | Q440-Q442 PolarHBondContact O-N 2.85Å; Q442-S444 PolarHBondContact O-N 3.3Å | ||
| 443 | K | 36.9 | Very low | 57.9 | Low | 213 Ų | 213 | 119 Ų | 119 | 93% | 0.926 | 58% | 0.583 | S | S | * | * | trans | -69.7 | 54 | 166.3 | -65.5 | 172.6 | -179.5 | 169.3 | 0 | 109.6 | T441 S445 | T441-K443 PolarHBondContact O-N 3.04Å; K443-S445 VanDerWaalsContact C-N 3.34Å; K443-S445 PolarHBondContact O-N 3.43Å | ||
| 444 | S | 34.9 | Very low | 55.9 | Low | 91 Ų | 91 | 127.7 Ų | 127.7 | 64% | 0.636 | 62% | 0.62 | S | S | * | * | trans | -74.1 | 91.1 | 178 | 64.6 | 0 | 0 | 0 | 0 | 108.2 | Q442 S446 | Q442-S444 PolarHBondContact O-N 3.3Å; S444-S446 PolarHBondContact O-N 3.12Å | ||
| 445 | S | 45.3 | Very low | 54.2 | Low | 121 Ų | 121 | 133.8 Ų | 133.8 | 85% | 0.846 | 66% | 0.66 | S | S | * | * | trans | -66.6 | 71.9 | 172 | 52.9 | 0 | 0 | 0 | 0 | 111.3 | K443 | K443-S445 VanDerWaalsContact C-N 3.34Å; K443-S445 PolarHBondContact O-N 3.43Å | ||
| 446 | S | 41.1 | Very low | 53.2 | Low | 91 Ų | 91 | 137.8 Ų | 137.8 | 64% | 0.636 | 68% | 0.681 | S | S | * | * | trans | -168 | 126.3 | 143.4 | 56.5 | 0 | 0 | 0 | 0 | 116.1 | S444 | S444-S446 PolarHBondContact O-N 3.12Š| ||
| 447 | R | 45.1 | Very low | 52.4 | Low | 234 Ų | 234 | 141 Ų | 141 | 88% | 0.883 | 70% | 0.704 | S | S | * | * | trans | 63.6 | 97.3 | 138.2 | -62.2 | 173.1 | -173.3 | 165.2 | 3.9 | 119.7 | ||||
| 448 | R | 49 | Very low | 51.7 | Low | 244 Ų | 244 | 147.4 Ų | 147.4 | 92% | 0.921 | 75% | 0.745 | S | S | * | * | trans | 60.5 | 90.9 | 135.7 | -65.6 | -178.4 | 174.2 | 169.9 | -2.1 | 117.7 | ||||
| 449 | K | 40.6 | Very low | 51.8 | Low | 208 Ų | 208 | 148.2 Ų | 148.2 | 90% | 0.904 | 75% | 0.752 | S | S | * | * | -135.3 | 128.2 | 124.1 | -108.8 | 176.3 | 179.8 | 178 | 0 | 109.4 | S451 | K449-S451 PolarHBondContact O-N 3.06Š| |||
| 450 | R | 44.7 | Very low | 53 | Low | 259 Ų | 259 | 142.6 Ų | 142.6 | 98% | 0.977 | 72% | 0.724 | S | S | * | * | trans | -75.1 | 104.2 | 168.7 | -86.1 | 176.4 | 161.7 | 156.4 | -8.1 | 107.2 | ||||
| 451 | S | 43.3 | Very low | 55 | Low | 90 Ų | 90 | 137.8 Ų | 137.8 | 63% | 0.629 | 70% | 0.701 | S | S | * | * | trans | -117 | 130.3 | 157.5 | -175.3 | 0 | 0 | 0 | 0 | 107.9 | K449 K453 | K449-S451 PolarHBondContact O-N 3.06Å; S451-K453 PolarHBondContact O-N 3.42Å; S451-K453 VanDerWaalsContact O-N 3.13Å | ||
| 452 | S | 42.8 | Very low | 57.4 | Low | 129 Ų | 129 | 133.1 Ų | 133.1 | 90% | 0.902 | 67% | 0.674 | S | S | * | * | trans | -85.4 | 42.3 | -178.2 | -174.6 | 0 | 0 | 0 | 0 | 111.7 | K454 | S452-K454 PolarHBondContact O-N 3.17Š| ||
| 453 | K | 53.4 | Low | 60 | Low | 165 Ų | 165 | 128.5 Ų | 128.5 | 72% | 0.717 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 122.5 | 169.6 | -75 | -164.8 | 171.8 | -167.1 | 0 | 108.1 | S451 | S451-K453 PolarHBondContact O-N 3.42Å; S451-K453 VanDerWaalsContact O-N 3.13Å |
| 454 | K | 52.5 | Low | 62.8 | Low | 183 Ų | 183 | 118.3 Ų | 118.3 | 80% | 0.796 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 142.9 | 165.3 | -88.2 | 178.8 | 173.8 | 175.3 | 0 | 108 | S452 L456 | S452-K454 PolarHBondContact O-N 3.17Å; K454-L456 PolarHBondContact O-N 2.87Å |
| 455 | P | 60 | Low | 65.5 | Low | 128 Ų | 128 | 116 Ų | 116 | 83% | 0.831 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 125.6 | 165.8 | 27 | -32.5 | 0 | 0 | 0 | 108.1 | ||
| 456 | L | 71.8 | Confident | 67.8 | Low | 84 Ų | 84 | 112.9 Ų | 112.9 | 44% | 0.44 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -74.4 | 154.2 | 179.3 | -70.1 | 143 | 0 | 0 | 0 | 109.5 | E383 K454 | E383-L456 HydrophobicContact CG-CD2 4.45Å; E383-L456 VanDerWaalsContact OE2-CD1 3.27Å; E383-L456 WeakPolarHBondContact OE2-CD1 3.4Å; K454-L456 PolarHBondContact O-N 2.87Å |
| 457 | S | 76.9 | Confident | 70.3 | Confident | 69 Ų | 69 | 108.5 Ų | 108.5 | 48% | 0.483 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 136.6 | -179.6 | -175.3 | 0 | 0 | 0 | 0 | 110.2 | D459 R460 | S457-D459 PolarHBondContact O-N 2.77Å; S457-D459 PolarHBondContact OG-N 2.96Å; S457-R460 VanDerWaalsContact O-CB 3.24Å; S457-R460 WeakPolarHBondContact O-CB 3.26Å; S457-R460 WeakPolarHBondContact O-CG 3.4Å; S457-R460 PolarHBondContact O-N 2.81Å |
| 458 | P | 74.3 | Confident | 72.6 | Confident | 135 Ų | 135 | 97.5 Ų | 97.5 | 88% | 0.877 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -27.1 | 168.7 | -23.6 | 34.2 | 0 | 0 | 0 | 112.9 | ||
| 459 | D | 81.7 | Confident | 74.6 | Confident | 104 Ų | 104 | 88.6 Ų | 88.6 | 56% | 0.556 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 8.6 | -177.5 | -162.2 | 62.3 | 0 | 0 | 0 | 113.6 | S457 F461 S462 | S457-D459 PolarHBondContact O-N 2.77Å; S457-D459 PolarHBondContact OG-N 2.96Å; D459-F461 PolarHBondContact O-N 2.85Å; D459-S462 VanDerWaalsContact CG-CB 3.45Å; D459-S462 WeakPolarHBondContact O-CB 3.23Å; D459-S462 PolarHBondContact O-N 2.92Å; D459-S462 PolarHBondContact O-OG 2.84Å; D459-S462 VanDerWaalsContact OD1-CB 3.32Å; D459-S462 WeakPolarHBondContact OD1-CB 3.15Å; D459-S462 WeakPolarHBondContact OD2-CB 3.39Å; D459-S462 PolarHBondContact OD2-OG 3.16Å |
| 460 | R | 88.6 | Confident | 77 | Confident | 54 Ų | 54 | 79 Ų | 79 | 20% | 0.204 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -22.1 | -173.6 | 59.6 | 177.9 | -97.7 | 170.7 | 0.7 | 116 | E383 D409 S411 S457 | E383-R460 IonicContact OE1-CZ 3.59Å; E383-R460 IonicContact OE1-NE 2.66Å; E383-R460 PolarHBondContact OE1-NE 2.94Å; E383-R460 IonicContact OE1-NH1 3.63Å; E383-R460 PolarHBondContact OE1-NH1 2.86Å; E383-R460 IonicContact OE1-NH2 2.83Å; E383-R460 PolarHBondContact OE1-NH2 3.28Å; E383-R460 VanDerWaalsContact OE1-NH2 3.11Å; E383-R460 IonicContact OE2-CZ 3.57Å; E383-R460 VanDerWaalsContact OE2-CZ 3.26Å; E383-R460 IonicContact OE2-NH1 3.83Å; E383-R460 PolarHBondContact OE2-NH1 3.41Å; E383-R460 IonicContact OE2-NH2 3.58Å; E383-R460 PolarHBondContact OE2-NH2 3.16Å; D409-R460 PolarHBondContact O-NH2 3.34Å; S411-R460 VanDerWaalsContact CB-O 3.23Å; S411-R460 WeakPolarHBondContact CB-O 3.19Å; S457-R460 VanDerWaalsContact O-CB 3.24Å; S457-R460 WeakPolarHBondContact O-CB 3.26Å; S457-R460 WeakPolarHBondContact O-CG 3.4Å; S457-R460 PolarHBondContact O-N 2.81Å |
| 461 | F | 91.3 | Very high | 79.3 | Confident | 9 Ų | 9 | 66.8 Ų | 66.8 | 4% | 0.039 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 5 | -179 | -62.7 | -61.5 | 0 | 0 | 0 | 114 | L436 E438 D459 L463 Y464 S465 F477 | L436-F461 HydrophobicContact CD1-CB 4.16Å; L436-F461 HydrophobicContact CD1-CD1 4.22Å; L436-F461 HydrophobicContact CD1-CG 4.18Å; L436-F461 HydrophobicContact CD2-CD1 4.43Å; L436-F461 HydrophobicContact CD2-CE1 4.38Å; E438-F461 HydrophobicContact CG-CE2 3.88Å; E438-F461 WeakPolarHBondContact OE1-CD2 3.4Å; E438-F461 WeakPolarHBondContact OE1-CE2 3.22Å; D459-F461 PolarHBondContact O-N 2.85Å; F461-L463 VanDerWaalsContact C-N 3.25Å; F461-L463 PolarHBondContact O-N 2.8Å; F461-Y464 HydrophobicContact CB-CD2 4.32Å; F461-Y464 AromaticContact CD1-CD2 3.61Å; F461-Y464 HydrophobicContact CD1-CD2 3.61Å; F461-Y464 AromaticContact CD1-CE2 3.62Å; F461-Y464 HydrophobicContact CD1-CE2 3.62Å; F461-Y464 HydrophobicContact CE1-CD2 4.39Å; F461-Y464 HydrophobicContact CE1-CE2 4.05Å; F461-Y464 HydrophobicContact CG-CD2 4.42Å; F461-Y464 WeakPolarHBondContact O-CB 3.28Å; F461-Y464 PolarHBondContact O-N 2.88Å; F461-S465 PolarHBondContact O-N 2.83Å; F461-F477 HydrophobicContact CB-CE1 4.01Å; F461-F477 HydrophobicContact CB-CZ 4.16Å; F461-F477 AromaticContact CD2-CE1 3.83Å; F461-F477 HydrophobicContact CD2-CE1 3.83Å; F461-F477 HydrophobicContact CG-CE1 4.19Å |
| 462 | S | 92 | Very high | 81.6 | Confident | 35 Ų | 35 | 62.8 Ų | 62.8 | 25% | 0.245 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.2 | -28.3 | -173.5 | 60.8 | 0 | 0 | 0 | 0 | 114.5 | D459 S465 S466 | D459-S462 VanDerWaalsContact CG-CB 3.45Å; D459-S462 WeakPolarHBondContact O-CB 3.23Å; D459-S462 PolarHBondContact O-N 2.92Å; D459-S462 PolarHBondContact O-OG 2.84Å; D459-S462 VanDerWaalsContact OD1-CB 3.32Å; D459-S462 WeakPolarHBondContact OD1-CB 3.15Å; D459-S462 WeakPolarHBondContact OD2-CB 3.39Å; D459-S462 PolarHBondContact OD2-OG 3.16Å; S462-S465 PolarHBondContact O-N 3.19Å; S462-S466 WeakPolarHBondContact O-CB 3.49Å; S462-S466 PolarHBondContact O-N 3.41Å; S462-S466 PolarHBondContact O-OG 2.66Å |
| 463 | L | 94.4 | Very high | 83.9 | Confident | 52 Ų | 52 | 56.7 Ų | 56.7 | 27% | 0.272 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.7 | -39.1 | 172.9 | -60.7 | 178.7 | 0 | 0 | 0 | 112 | F388 P412 A415 F418 F461 S466 L467 | F388-L463 HydrophobicContact CE2-CB 4.13Å; F388-L463 HydrophobicContact CE2-CD1 3.99Å; F388-L463 HydrophobicContact CZ-CB 3.78Å; F388-L463 HydrophobicContact CZ-CD1 4.49Å; P412-L463 HydrophobicContact CG-CD1 4.2Å; A415-L463 HydrophobicContact CB-CD1 3.66Å; F418-L463 HydrophobicContact CD2-CB 4.07Å; F418-L463 HydrophobicContact CD2-CD2 4.06Å; F418-L463 HydrophobicContact CE2-CB 4.21Å; F418-L463 HydrophobicContact CE2-CD2 4.2Å; F418-L463 WeakPolarHBondContact CE2-O 3.12Å; F418-L463 HydrophobicContact CG-CD2 4.39Å; F461-L463 VanDerWaalsContact C-N 3.25Å; F461-L463 PolarHBondContact O-N 2.8Å; L463-S466 PolarHBondContact O-N 3.45Å; L463-L467 WeakPolarHBondContact O-CB 3.33Å; L463-L467 PolarHBondContact O-N 2.86Å |
| 464 | Y | 95.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66 | -43.5 | 175.1 | -59.4 | -24.3 | 0 | 0 | 0 | 111.4 | C387 F388 T408 A410 P412 F434 L436 F461 S466 L467 S468 | C387-Y464 HydrophobicContact CB-CE1 4.22Å; C387-Y464 VanDerWaalsContact CB-OH 3.28Å; C387-Y464 WeakPolarHBondContact CB-OH 3.44Å; C387-Y464 PolarHBondContact SG-OH 3.41Å; C387-Y464 VanDerWaalsContact SG-OH 3.38Å; F388-Y464 HydrophobicContact CE1-CD1 4.06Å; F388-Y464 HydrophobicContact CE1-CE1 4.16Å; F388-Y464 AromaticContact CZ-CD1 3.9Å; F388-Y464 HydrophobicContact CZ-CD1 3.9Å; F388-Y464 AromaticContact CZ-CE1 3.99Å; F388-Y464 HydrophobicContact CZ-CE1 3.99Å; T408-Y464 HydrophobicContact CG2-CE2 3.82Å; A410-Y464 VanDerWaalsContact O-CE2 3.26Å; A410-Y464 WeakPolarHBondContact O-CE2 3.34Å; A410-Y464 PolarHBondContact O-OH 2.83Å; P412-Y464 HydrophobicContact CB-CE1 3.85Å; P412-Y464 HydrophobicContact CG-CD1 4.4Å; P412-Y464 HydrophobicContact CG-CE1 3.67Å; F434-Y464 AromaticContact CD1-CD1 3.93Å; F434-Y464 HydrophobicContact CD1-CD1 3.93Å; F434-Y464 AromaticContact CD1-CD2 3.96Å; F434-Y464 HydrophobicContact CD1-CD2 3.96Å; F434-Y464 HydrophobicContact CD1-CE1 4.45Å; F434-Y464 HydrophobicContact CD1-CE2 4.46Å; F434-Y464 AromaticContact CD1-CG 3.65Å; F434-Y464 HydrophobicContact CD1-CG 3.65Å; F434-Y464 AromaticContact CE1-CD1 3.27Å; F434-Y464 HydrophobicContact CE1-CD1 3.27Å; F434-Y464 HydrophobicContact CE1-CD2 4.15Å; F434-Y464 AromaticContact CE1-CE1 3.76Å; F434-Y464 HydrophobicContact CE1-CE1 3.76Å; F434-Y464 AromaticContact CE1-CG 3.5Å; F434-Y464 HydrophobicContact CE1-CG 3.5Å; F434-Y464 HydrophobicContact CG-CG 4.24Å; F434-Y464 AromaticContact CZ-CD1 3.63Å; F434-Y464 HydrophobicContact CZ-CD1 3.63Å; F434-Y464 HydrophobicContact CZ-CE1 4.4Å; F434-Y464 AromaticContact CZ-CG 3.97Å; F434-Y464 HydrophobicContact CZ-CG 3.97Å; L436-Y464 HydrophobicContact CD1-CD2 3.96Å; L436-Y464 HydrophobicContact CD2-CD2 3.56Å; L436-Y464 HydrophobicContact CD2-CE2 3.85Å; L436-Y464 HydrophobicContact CG-CD2 4.42Å; F461-Y464 HydrophobicContact CB-CD2 4.32Å; F461-Y464 AromaticContact CD1-CD2 3.61Å; F461-Y464 HydrophobicContact CD1-CD2 3.61Å; F461-Y464 AromaticContact CD1-CE2 3.62Å; F461-Y464 HydrophobicContact CD1-CE2 3.62Å; F461-Y464 HydrophobicContact CE1-CD2 4.39Å; F461-Y464 HydrophobicContact CE1-CE2 4.05Å; F461-Y464 HydrophobicContact CG-CD2 4.42Å; F461-Y464 WeakPolarHBondContact O-CB 3.28Å; F461-Y464 PolarHBondContact O-N 2.88Å; Y464-S466 VanDerWaalsContact C-N 3.31Å; Y464-S466 PolarHBondContact O-N 2.92Å; Y464-L467 PolarHBondContact O-N 3.38Å; Y464-S468 WeakPolarHBondContact O-CB 3.08Å; Y464-S468 PolarHBondContact O-N 3.09Å; Y464-S468 PolarHBondContact O-OG 2.69Å |
| 465 | S | 92.2 | Very high | 87.6 | Confident | 41 Ų | 41 | 41.1 Ų | 41.1 | 29% | 0.287 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.9 | -39.5 | 174.3 | -61.9 | 0 | 0 | 0 | 0 | 112.2 | F461 S462 S468 L469 | F461-S465 PolarHBondContact O-N 2.83Å; S462-S465 PolarHBondContact O-N 3.19Å; S465-S468 PolarHBondContact O-OG 2.9Å; S465-L469 WeakPolarHBondContact O-CB 3.27Å; S465-L469 PolarHBondContact O-N 3.42Å; S465-L469 VanDerWaalsContact O-N 3.09Å |
| 466 | S | 92.1 | Very high | 89.1 | Confident | 56 Ų | 56 | 35.1 Ų | 35.1 | 39% | 0.392 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -70.6 | -44.4 | 178.5 | -61.1 | 0 | 0 | 0 | 0 | 112.4 | S462 L463 Y464 L469 V470 | S462-S466 WeakPolarHBondContact O-CB 3.49Å; S462-S466 PolarHBondContact O-N 3.41Å; S462-S466 PolarHBondContact O-OG 2.66Å; L463-S466 PolarHBondContact O-N 3.45Å; Y464-S466 VanDerWaalsContact C-N 3.31Å; Y464-S466 PolarHBondContact O-N 2.92Å; S466-L469 PolarHBondContact O-N 3.35Å; S466-V470 WeakPolarHBondContact O-CG2 3.04Å; S466-V470 PolarHBondContact O-N 2.93Å; S466-V470 VanDerWaalsContact O-N 3.14Å |
| 467 | L | 94.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.1 | -44.2 | 179.4 | 179.8 | 60.3 | 0 | 0 | 0 | 112.2 | F388 F418 V421 K422 I432 F434 L463 Y464 V470 S471 | F388-L467 HydrophobicContact CD1-CD2 4.24Å; F388-L467 HydrophobicContact CE1-CD2 3.73Å; F418-L467 HydrophobicContact CE2-CB 3.95Å; V421-L467 HydrophobicContact CG1-CD1 4.18Å; V421-L467 HydrophobicContact CG1-CD2 3.5Å; V421-L467 HydrophobicContact CG1-CG 4.49Å; K422-L467 HydrophobicContact CB-CD1 4.06Å; I432-L467 HydrophobicContact CD1-CD1 4.14Å; I432-L467 HydrophobicContact CD1-CD2 3.81Å; I432-L467 HydrophobicContact CD1-CG 3.94Å; F434-L467 HydrophobicContact CE2-CB 4.49Å; F434-L467 HydrophobicContact CE2-CD2 4.34Å; F434-L467 HydrophobicContact CZ-CD2 4.09Å; L463-L467 WeakPolarHBondContact O-CB 3.33Å; L463-L467 PolarHBondContact O-N 2.86Å; Y464-L467 PolarHBondContact O-N 3.38Å; L467-V470 PolarHBondContact O-N 3.34Å; L467-S471 VanDerWaalsContact O-CB 3.3Å; L467-S471 WeakPolarHBondContact O-CB 3.16Å; L467-S471 PolarHBondContact O-N 3.1Å; L467-S471 PolarHBondContact O-OG 2.95Å |
| 468 | S | 93.8 | Very high | 90.4 | Very high | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66 | -37.6 | 176.7 | 54.5 | 0 | 0 | 0 | 0 | 112.4 | I432 Y464 S465 V470 S471 G472 G473 M474 A475 R503 | I432-S468 WeakPolarHBondContact O-CA 3.02Å; I432-S468 WeakPolarHBondContact O-CB 3.11Å; Y464-S468 WeakPolarHBondContact O-CB 3.08Å; Y464-S468 PolarHBondContact O-N 3.09Å; Y464-S468 PolarHBondContact O-OG 2.69Å; S465-S468 PolarHBondContact O-OG 2.9Å; S468-V470 PolarHBondContact O-N 2.63Å; S468-S471 WeakPolarHBondContact CA-OG 3.37Å; S468-S471 PolarHBondContact O-OG 3.11Å; S468-G472 CarbonylContact O-C 3.49Å; S468-G472 PolarHBondContact O-N 3.46Å; S468-G473 CarbonylContact O-C 3.36Å; S468-G473 PolarHBondContact O-N 2.68Å; S468-G473 VanDerWaalsContact O-O 3.12Å; S468-M474 VanDerWaalsContact CB-C 3.48Å; S468-A475 PolarHBondContact OG-N 3.09Å; S468-R503 PolarHBondContact O-NH2 3.36Å; S468-R503 VanDerWaalsContact O-NH2 3.12Å |
| 469 | L | 90.1 | Very high | 91 | Very high | 57 Ų | 57 | 25.7 Ų | 25.7 | 30% | 0.298 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -60.4 | -46.5 | 174.8 | -177.7 | 138.5 | 0 | 0 | 0 | 111.9 | S465 S466 R503 K709 | S465-L469 WeakPolarHBondContact O-CB 3.27Å; S465-L469 PolarHBondContact O-N 3.42Å; S465-L469 VanDerWaalsContact O-N 3.09Å; S466-L469 PolarHBondContact O-N 3.35Å; L469-R503 PolarHBondContact O-NH2 2.96Å; L469-K709 HydrophobicContact CD2-CD 4.13Å |
| 470 | V | 90.9 | Very high | 91.3 | Very high | 7 Ų | 7 | 23.3 Ų | 23.3 | 4% | 0.042 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -71.6 | -44.4 | -178.5 | 171 | 0 | 0 | 0 | 0 | 112.5 | K422 L426 S466 L467 S468 G472 E708 K709 | K422-V470 HydrophobicContact CG-CG1 4.38Å; L426-V470 HydrophobicContact CD1-CG1 3.9Å; L426-V470 HydrophobicContact CD2-CG1 3.79Å; L426-V470 HydrophobicContact CG-CG1 4.06Å; S466-V470 WeakPolarHBondContact O-CG2 3.04Å; S466-V470 PolarHBondContact O-N 2.93Å; S466-V470 VanDerWaalsContact O-N 3.14Å; L467-V470 PolarHBondContact O-N 3.34Å; S468-V470 PolarHBondContact O-N 2.63Å; V470-G472 PolarHBondContact O-N 3.21Å; V470-E708 WeakPolarHBondContact O-CA 3.42Å; V470-K709 PolarHBondContact O-N 2.04Å |
| 471 | S | 93.5 | Very high | 91.1 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.014 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -71.6 | -11.8 | 179.5 | 65 | 0 | 0 | 0 | 0 | 114.6 | I432 L467 S468 | I432-S471 PolarHBondContact N-OG 3.26Å; L467-S471 VanDerWaalsContact O-CB 3.3Å; L467-S471 WeakPolarHBondContact O-CB 3.16Å; L467-S471 PolarHBondContact O-N 3.1Å; L467-S471 PolarHBondContact O-OG 2.95Å; S468-S471 WeakPolarHBondContact CA-OG 3.37Å; S468-S471 PolarHBondContact O-OG 3.11Å |
| 472 | G | 90.4 | Very high | 91 | Very high | 5 Ų | 5 | 26 Ų | 26 | 5% | 0.052 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | -3.4 | -176 | 0 | 0 | 0 | 0 | 0 | 115.4 | S468 V470 R503 T707 | S468-G472 CarbonylContact O-C 3.49Å; S468-G472 PolarHBondContact O-N 3.46Å; V470-G472 PolarHBondContact O-N 3.21Å; G472-R503 VanDerWaalsContact C-NH2 3.32Å; G472-R503 PolarHBondContact O-NH1 3.38Å; G472-R503 VanDerWaalsContact O-NH1 3.09Å; G472-T707 WeakPolarHBondContact CA-O 3.46Å |
| 473 | G | 92.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | trans | -77.7 | -159 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | I432 S468 R503 | I432-G473 WeakPolarHBondContact O-CA 3.39Å; S468-G473 CarbonylContact O-C 3.36Å; S468-G473 PolarHBondContact O-N 2.68Å; S468-G473 VanDerWaalsContact O-O 3.12Å; G473-R503 VanDerWaalsContact O-CZ 3.26Å; G473-R503 PolarHBondContact O-NH1 2.97Å; G473-R503 PolarHBondContact O-NH2 2.54Å | ||
| 474 | M | 90.8 | Very high | 90.7 | Very high | 10 Ų | 10 | 24.3 Ų | 24.3 | 5% | 0.049 | 14% | 0.144 | C | C | . | . | trans | -138 | 151.6 | 177.8 | -68.3 | 168 | -75.9 | 0 | 0 | 111.4 | T433 F434 S468 V476 I489 H528 | T433-M474 CarbonylContact C-O 3.42Å; T433-M474 VanDerWaalsContact CA-O 3.27Å; T433-M474 WeakPolarHBondContact CA-O 3.47Å; T433-M474 HydrophobicContact CG2-CB 4.39Å; T433-M474 PolarHBondContact OG1-N 3.29Å; F434-M474 PolarHBondContact N-O 3.46Å; S468-M474 VanDerWaalsContact CB-C 3.48Å; M474-V476 HydrophobicContact CB-CG2 4.02Å; M474-I489 HydrophobicContact CE-CD1 3.47Å; M474-I489 VanDerWaalsContact CE-CD1 3.47Å; M474-I489 HydrophobicContact CE-CG1 4.06Å; M474-I489 HydrophobicContact SD-CD1 4.2Å; M474-H528 HydrophobicContact CE-CB 4.23Å; M474-H528 HydrophobicContact SD-CB 3.65Å | ||
| 475 | A | 92.1 | Very high | 90.3 | Very high | 12 Ų | 12 | 29.3 Ų | 29.3 | 10% | 0.099 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 111.7 | 162 | 0 | 0 | 0 | 0 | 0 | 108.1 | S468 F477 | S468-A475 PolarHBondContact OG-N 3.09Å; A475-F477 HydrophobicContact CB-CE2 4.11Å |
| 476 | V | 91 | Very high | 90.2 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 107.6 | -177.1 | -174.6 | 0 | 0 | 0 | 0 | 108.4 | F434 L435 L436 M474 V486 I489 T530 F564 | F434-V476 PolarHBondContact O-N 3.09Å; L435-V476 HydrophobicContact CD2-CB 4.22Å; L435-V476 HydrophobicContact CD2-CG1 4.42Å; L436-V476 PolarHBondContact N-O 2.9Å; M474-V476 HydrophobicContact CB-CG2 4.02Å; V476-V486 HydrophobicContact CG1-CG1 3.52Å; V476-I489 HydrophobicContact CG2-CD1 3.81Å; V476-T530 HydrophobicContact CG2-CG2 4.11Å; V476-F564 HydrophobicContact CG1-CB 3.86Å; V476-F564 HydrophobicContact CG1-CD1 4.2Å; V476-F564 HydrophobicContact CG1-CD2 4.09Å; V476-F564 HydrophobicContact CG1-CG 3.79Å; V476-F564 HydrophobicContact CG2-CD2 4.45Å |
| 477 | F | 88.4 | Confident | 90 | Very high | 69 Ų | 69 | 24.7 Ų | 24.7 | 30% | 0.303 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 132.8 | 175.2 | -62.9 | -94.7 | 0 | 0 | 0 | 109.2 | L436 E438 F461 A475 Q562 | L436-F477 HydrophobicContact CB-CD1 4.2Å; L436-F477 HydrophobicContact CB-CE1 4.46Å; L436-F477 HydrophobicContact CD1-CD1 4.15Å; L436-F477 HydrophobicContact CD1-CE1 3.64Å; L436-F477 HydrophobicContact CD1-CE2 4.38Å; L436-F477 HydrophobicContact CD1-CZ 3.76Å; L436-F477 CarbonylContact O-C 3.58Å; L436-F477 WeakPolarHBondContact O-CA 3.49Å; E438-F477 HydrophobicContact CG-CD1 4.36Å; E438-F477 WeakPolarHBondContact OE1-CD1 3.34Å; F461-F477 HydrophobicContact CB-CE1 4.01Å; F461-F477 HydrophobicContact CB-CZ 4.16Å; F461-F477 AromaticContact CD2-CE1 3.83Å; F461-F477 HydrophobicContact CD2-CE1 3.83Å; F461-F477 HydrophobicContact CG-CE1 4.19Å; A475-F477 HydrophobicContact CB-CE2 4.11Å; F477-Q562 VanDerWaalsContact O-O 3.05Å |
| 478 | T | 88.6 | Confident | 89.7 | Confident | 4 Ų | 4 | 25.5 Ų | 25.5 | 3% | 0.025 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | -172 | -178.1 | -162.4 | 0 | 0 | 0 | 0 | 112 | L436 T437 E438 I483 V486 | L436-T478 PolarHBondContact O-N 2.8Å; T437-T478 WeakPolarHBondContact CA-O 3.39Å; T437-T478 HydrophobicContact CG2-CG2 3.64Å; E438-T478 PolarHBondContact N-O 2.97Å; E438-T478 VanDerWaalsContact N-O 3.09Å; T478-I483 HydrophobicContact CG2-CB 4.17Å; T478-I483 HydrophobicContact CG2-CD1 3.76Å; T478-V486 HydrophobicContact CG2-CG1 4.45Å; T478-V486 WeakPolarHBondContact OG1-CG2 3.29Å |
| 479 | T | 87.6 | Confident | 89.4 | Confident | 17 Ų | 17 | 25.3 Ų | 25.3 | 10% | 0.104 | 14% | 0.137 | C | C | . | . | trans | -122.3 | 157.1 | -179.9 | 67.5 | 0 | 0 | 0 | 0 | 110.6 | S481 D482 I483 | T479-S481 PolarHBondContact O-N 2.66Å; T479-S481 VanDerWaalsContact O-N 3.07Å; T479-S481 PolarHBondContact OG1-OG 2.96Å; T479-D482 PolarHBondContact O-N 3.34Å; T479-D482 PolarHBondContact OG1-N 2.05Å; T479-I483 PolarHBondContact O-N 3.2Å | ||
| 480 | N | 86.6 | Confident | 89.4 | Confident | 55 Ų | 55 | 22.6 Ų | 22.6 | 29% | 0.294 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -25.9 | 175.9 | -52.9 | 51.5 | 0 | 0 | 0 | 112.3 | E320 E321 I483 | E320-N480 HydrophobicContact CB-CB 4.31Å; E320-N480 HydrophobicContact CG-CB 4.14Å; E321-N480 PolarHBondContact OE1-ND2 2.66Å; N480-I483 WeakPolarHBondContact O-CG2 3.41Å |
| 481 | S | 85.8 | Confident | 89.2 | Confident | 90 Ų | 90 | 24.9 Ų | 24.9 | 63% | 0.629 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -22.6 | 173.8 | 41.8 | 0 | 0 | 0 | 0 | 115.2 | T479 | T479-S481 PolarHBondContact O-N 2.66Å; T479-S481 VanDerWaalsContact O-N 3.07Å; T479-S481 PolarHBondContact OG1-OG 2.96Å |
| 482 | D | 88.8 | Confident | 89 | Confident | 30 Ų | 30 | 25.2 Ų | 25.2 | 16% | 0.16 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | -15.5 | -176.8 | -77 | -40 | 0 | 0 | 0 | 114.1 | T479 H484 K485 V486 | T479-D482 PolarHBondContact O-N 3.34Å; T479-D482 PolarHBondContact OG1-N 2.05Å; D482-H484 PolarHBondContact O-N 3.26Å; D482-H484 VanDerWaalsContact O-N 3.14Å; D482-K485 WeakPolarHBondContact O-CA 3.48Å; D482-K485 PolarHBondContact O-N 3.17Å; D482-K485 IonicContact OD1-NZ 2.72Å; D482-K485 PolarHBondContact OD1-NZ 2.89Å; D482-V486 HydrophobicContact CB-CG2 4.33Å; D482-V486 PolarHBondContact O-N 2.87Å |
| 483 | I | 89.8 | Confident | 88.7 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -52.9 | -37.5 | -179.9 | -173 | 62.5 | 0 | 0 | 0 | 113 | E320 E321 A324 F407 L435 T437 T478 T479 N480 K485 V486 S487 | E320-I483 HydrophobicContact CB-CG2 3.97Å; E321-I483 HydrophobicContact CG-CG1 4.25Å; A324-I483 HydrophobicContact CB-CG1 4.03Å; A324-I483 HydrophobicContact CB-CG2 4.38Å; F407-I483 HydrophobicContact CD1-CD1 4.25Å; F407-I483 HydrophobicContact CE1-CD1 4.14Å; F407-I483 HydrophobicContact CE1-CG1 4.48Å; L435-I483 HydrophobicContact CB-CD1 4.05Å; L435-I483 HydrophobicContact CD2-CD1 4.22Å; T437-I483 HydrophobicContact CG2-CB 4.16Å; T437-I483 HydrophobicContact CG2-CD1 4.4Å; T437-I483 HydrophobicContact CG2-CG1 4.42Å; T478-I483 HydrophobicContact CG2-CB 4.17Å; T478-I483 HydrophobicContact CG2-CD1 3.76Å; T479-I483 PolarHBondContact O-N 3.2Å; N480-I483 WeakPolarHBondContact O-CG2 3.41Å; I483-K485 PolarHBondContact O-N 2.91Å; I483-V486 PolarHBondContact O-N 3.12Å; I483-S487 WeakPolarHBondContact O-CB 3.44Å; I483-S487 PolarHBondContact O-N 3.21Å; I483-S487 PolarHBondContact O-OG 3.27Å |
| 484 | H | 89.4 | Confident | 88.1 | Confident | 51 Ų | 51 | 25.5 Ų | 25.5 | 24% | 0.236 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58 | -30 | 174.4 | -73.7 | -67.7 | 0 | 0 | 0 | 113.6 | E320 R328 D482 S487 | E320-H484 PolarHBondContact O-CE1 3.24Å; E320-H484 IonicContact OE2-CD2 3.76Å; E320-H484 IonicContact OE2-CE1 3.62Å; E320-H484 IonicContact OE2-NE2 2.88Å; E320-H484 PolarHBondContact OE2-NE2 2.84Å; R328-H484 PolarHBondContact NH2-O 2.77Å; D482-H484 PolarHBondContact O-N 3.26Å; D482-H484 VanDerWaalsContact O-N 3.14Å; H484-S487 PolarHBondContact O-OG 2.92Å |
| 485 | K | 88.3 | Confident | 87.4 | Confident | 105 Ų | 105 | 26.1 Ų | 26.1 | 46% | 0.457 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -94 | -44.2 | 177.5 | -50.6 | 173.8 | -158 | 139.5 | 0 | 111.5 | D482 I483 S487 T488 F561 | D482-K485 WeakPolarHBondContact O-CA 3.48Å; D482-K485 PolarHBondContact O-N 3.17Å; D482-K485 IonicContact OD1-NZ 2.72Å; D482-K485 PolarHBondContact OD1-NZ 2.89Å; I483-K485 PolarHBondContact O-N 2.91Å; K485-S487 PolarHBondContact O-N 2.74Å; K485-T488 WeakPolarHBondContact O-CB 3.13Å; K485-T488 VanDerWaalsContact O-CG2 3.24Å; K485-T488 WeakPolarHBondContact O-CG2 3.13Å; K485-T488 PolarHBondContact O-N 2.96Å; K485-T488 VanDerWaalsContact O-N 3.07Å; K485-T488 PolarHBondContact O-OG1 2.72Å; K485-F561 HydrophobicContact CB-CD1 3.98Å; K485-F561 HydrophobicContact CB-CE1 3.29Å; K485-F561 HydrophobicContact CB-CZ 3.87Å; K485-F561 HydrophobicContact CD-CD1 4.21Å; K485-F561 HydrophobicContact CD-CE1 3.71Å; K485-F561 HydrophobicContact CG-CE1 4.16Å |
| 486 | V | 88.6 | Confident | 86.4 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.2 | -32.6 | -179.2 | 174.4 | 0 | 0 | 0 | 0 | 112.1 | L435 V476 T478 D482 I483 T488 I489 F561 F564 | L435-V486 HydrophobicContact CD2-CG1 3.69Å; V476-V486 HydrophobicContact CG1-CG1 3.52Å; T478-V486 HydrophobicContact CG2-CG1 4.45Å; T478-V486 WeakPolarHBondContact OG1-CG2 3.29Å; D482-V486 HydrophobicContact CB-CG2 4.33Å; D482-V486 PolarHBondContact O-N 2.87Å; I483-V486 PolarHBondContact O-N 3.12Å; V486-T488 PolarHBondContact O-N 2.93Å; V486-I489 WeakPolarHBondContact O-CB 3.5Å; V486-I489 WeakPolarHBondContact O-CG2 3.25Å; V486-I489 PolarHBondContact O-N 2.9Å; V486-I489 VanDerWaalsContact O-N 3.08Å; V486-F561 HydrophobicContact CG2-CB 3.53Å; V486-F561 HydrophobicContact CG2-CD1 3.93Å; V486-F561 HydrophobicContact CG2-CD2 3.86Å; V486-F561 HydrophobicContact CG2-CG 3.47Å; V486-F561 VanDerWaalsContact CG2-CG 3.47Å; V486-F564 HydrophobicContact CG1-CD1 3.93Å; V486-F564 HydrophobicContact CG1-CE1 4.35Å; V486-F564 HydrophobicContact CG2-CD1 4.31Å |
| 487 | S | 88.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -7.9 | 173.9 | 60.3 | 0 | 0 | 0 | 0 | 115 | R328 I483 H484 K485 I489 V490 | R328-S487 VanDerWaalsContact CD-O 3.23Å; R328-S487 WeakPolarHBondContact CD-O 3.48Å; R328-S487 WeakPolarHBondContact CG-O 3.39Å; R328-S487 VanDerWaalsContact NE-C 3.34Å; R328-S487 PolarHBondContact NE-O 2.71Å; R328-S487 PolarHBondContact NE-OG 2.79Å; I483-S487 WeakPolarHBondContact O-CB 3.44Å; I483-S487 PolarHBondContact O-N 3.21Å; I483-S487 PolarHBondContact O-OG 3.27Å; H484-S487 PolarHBondContact O-OG 2.92Å; K485-S487 PolarHBondContact O-N 2.74Å; S487-I489 PolarHBondContact O-N 3.49Å; S487-I489 VanDerWaalsContact O-N 3.12Å; S487-V490 WeakPolarHBondContact O-CB 3.35Å; S487-V490 VanDerWaalsContact O-CG2 3.29Å; S487-V490 WeakPolarHBondContact O-CG2 3.18Å; S487-V490 PolarHBondContact O-N 3.23Å |
| 488 | T | 88.3 | Confident | 85.9 | Confident | 16 Ų | 16 | 26.1 Ų | 26.1 | 10% | 0.098 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -52.9 | -25.9 | 164.5 | 47.7 | 0 | 0 | 0 | 0 | 112.9 | K485 V486 V490 E491 D492 | K485-T488 WeakPolarHBondContact O-CB 3.13Å; K485-T488 VanDerWaalsContact O-CG2 3.24Å; K485-T488 WeakPolarHBondContact O-CG2 3.13Å; K485-T488 PolarHBondContact O-N 2.96Å; K485-T488 VanDerWaalsContact O-N 3.07Å; K485-T488 PolarHBondContact O-OG1 2.72Å; V486-T488 PolarHBondContact O-N 2.93Å; T488-V490 PolarHBondContact O-N 3.38Å; T488-V490 VanDerWaalsContact O-N 3.09Å; T488-E491 WeakPolarHBondContact O-CB 3.13Å; T488-E491 PolarHBondContact O-N 3.3Å; T488-D492 PolarHBondContact O-N 3.3Å |
| 489 | I | 88.1 | Confident | 86 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -56.6 | -25 | 175.4 | -153.6 | 170.7 | 0 | 0 | 0 | 113.4 | L435 M474 V476 V486 S487 N493 F564 | L435-I489 HydrophobicContact CD1-CG2 4.18Å; L435-I489 HydrophobicContact CD2-CG2 3.99Å; L435-I489 HydrophobicContact CG-CG2 4.42Å; M474-I489 HydrophobicContact CE-CD1 3.47Å; M474-I489 VanDerWaalsContact CE-CD1 3.47Å; M474-I489 HydrophobicContact CE-CG1 4.06Å; M474-I489 HydrophobicContact SD-CD1 4.2Å; V476-I489 HydrophobicContact CG2-CD1 3.81Å; V486-I489 WeakPolarHBondContact O-CB 3.5Å; V486-I489 WeakPolarHBondContact O-CG2 3.25Å; V486-I489 PolarHBondContact O-N 2.9Å; V486-I489 VanDerWaalsContact O-N 3.08Å; S487-I489 PolarHBondContact O-N 3.49Å; S487-I489 VanDerWaalsContact O-N 3.12Å; I489-N493 PolarHBondContact O-N 2.72Å; I489-N493 PolarHBondContact O-ND2 2.84Å; I489-F564 HydrophobicContact CD1-CE1 4.34Å; I489-F564 HydrophobicContact CD1-CE2 3.87Å; I489-F564 HydrophobicContact CD1-CZ 3.56Å; I489-F564 HydrophobicContact CG1-CZ 4.16Å |
| 490 | V | 89.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69.6 | -41.5 | 174.9 | -172.2 | 0 | 0 | 0 | 0 | 110.5 | L308 F310 R328 I332 F405 F407 L435 S487 T488 T494 | L308-V490 HydrophobicContact CD1-CG1 4.23Å; F310-V490 HydrophobicContact CE1-CG1 4.28Å; F310-V490 HydrophobicContact CZ-CG1 4Å; R328-V490 HydrophobicContact CB-CB 4.39Å; I332-V490 HydrophobicContact CD1-CB 4.37Å; I332-V490 HydrophobicContact CD1-CG1 3.62Å; F405-V490 HydrophobicContact CB-CG2 4.45Å; F405-V490 HydrophobicContact CD1-CB 4.3Å; F405-V490 HydrophobicContact CD1-CG1 4.24Å; F405-V490 HydrophobicContact CD1-CG2 3.79Å; F405-V490 HydrophobicContact CD2-CG1 3.76Å; F405-V490 HydrophobicContact CE1-CB 4.27Å; F405-V490 HydrophobicContact CE1-CG1 4.28Å; F405-V490 HydrophobicContact CE1-CG2 4.2Å; F405-V490 HydrophobicContact CE2-CG1 3.8Å; F405-V490 HydrophobicContact CG-CB 4.48Å; F405-V490 HydrophobicContact CG-CG1 3.98Å; F405-V490 HydrophobicContact CG-CG2 4.01Å; F405-V490 HydrophobicContact CZ-CB 4.43Å; F405-V490 HydrophobicContact CZ-CG1 4.06Å; F407-V490 HydrophobicContact CZ-CG2 4.2Å; L435-V490 HydrophobicContact CD1-CG2 4.05Å; S487-V490 WeakPolarHBondContact O-CB 3.35Å; S487-V490 VanDerWaalsContact O-CG2 3.29Å; S487-V490 WeakPolarHBondContact O-CG2 3.18Å; S487-V490 PolarHBondContact O-N 3.23Å; T488-V490 PolarHBondContact O-N 3.38Å; T488-V490 VanDerWaalsContact O-N 3.09Å; V490-T494 HydrophobicContact CG1-CG2 4.35Å; V490-T494 WeakPolarHBondContact O-CB 3.38Å; V490-T494 WeakPolarHBondContact O-CG2 3.35Å; V490-T494 PolarHBondContact O-N 3.41Å; V490-T494 PolarHBondContact O-OG1 3Å |
| 491 | E | 87 | Confident | 86.6 | Confident | 54 Ų | 54 | 22.9 Ų | 22.9 | 25% | 0.252 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -68.5 | -39.9 | 175.1 | -67 | 166.8 | -174.6 | 0 | 0 | 111.1 | R328 S331 I332 T488 N493 T494 | R328-E491 VanDerWaalsContact CD-OE1 3.24Å; R328-E491 WeakPolarHBondContact CD-OE1 3.41Å; R328-E491 IonicContact CZ-OE1 2.73Å; R328-E491 IonicContact NE-OE1 3.16Å; R328-E491 IonicContact NH1-OE1 3.41Å; R328-E491 PolarHBondContact NH1-OE1 3.26Å; R328-E491 IonicContact NH1-OE2 2.95Å; R328-E491 PolarHBondContact NH1-OE2 2.96Å; S331-E491 WeakPolarHBondContact CB-OE1 3.44Å; S331-E491 PolarHBondContact OG-OE1 2.73Å; I332-E491 HydrophobicContact CD1-CG 4.18Å; I332-E491 HydrophobicContact CG1-CG 3.78Å; T488-E491 WeakPolarHBondContact O-CB 3.13Å; T488-E491 PolarHBondContact O-N 3.3Å; E491-N493 PolarHBondContact O-N 3.39Å; E491-T494 PolarHBondContact O-N 3.3Å |
| 492 | D | 87.5 | Confident | 86.9 | Confident | 10 Ų | 10 | 19.2 Ų | 19.2 | 5% | 0.053 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.6 | -26.5 | -179.5 | -74.6 | -11.5 | 0 | 0 | 0 | 114.2 | T488 K498 I526 H528 R566 I593 | T488-D492 PolarHBondContact O-N 3.3Å; D492-K498 WeakPolarHBondContact O-CD 3.3Å; D492-K498 WeakPolarHBondContact O-CE 3.2Å; D492-K498 PolarHBondContact O-NZ 2.97Å; D492-I526 HydrophobicContact CB-CD1 4.13Å; D492-I526 VanDerWaalsContact CG-CD1 3.47Å; D492-I526 WeakPolarHBondContact OD1-CD1 3.3Å; D492-H528 IonicContact OD2-CD2 2.73Å; D492-H528 IonicContact OD2-CE1 2.71Å; D492-H528 PolarHBondContact OD2-CE1 3.3Å; D492-H528 IonicContact OD2-NE2 3.3Å; D492-H528 PolarHBondContact OD2-NE2 3.47Å; D492-R566 IonicContact OD1-CZ 3.36Å; D492-R566 IonicContact OD1-NE 2.66Å; D492-R566 PolarHBondContact OD1-NE 3.24Å; D492-R566 IonicContact OD1-NH2 2.67Å; D492-R566 PolarHBondContact OD1-NH2 2.82Å; D492-R566 WeakPolarHBondContact OD2-CD 3.42Å; D492-R566 IonicContact OD2-CZ 2.72Å; D492-R566 IonicContact OD2-NE 2.72Å; D492-R566 PolarHBondContact OD2-NE 2.73Å; D492-R566 IonicContact OD2-NH2 3.67Å; D492-I593 HydrophobicContact CB-CD1 4.23Å; D492-I593 WeakPolarHBondContact O-CD1 3.36Å |
| 493 | N | 84.6 | Confident | 87 | Confident | 6 Ų | 6 | 18.6 Ų | 18.6 | 3% | 0.032 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -106.9 | -12.3 | -175.2 | -73.6 | -79.8 | 0 | 0 | 0 | 113.8 | E403 F405 I489 E491 | E403-N493 HydrophobicContact CG-CB 4.28Å; F405-N493 HydrophobicContact CE1-CB 4.39Å; F405-N493 HydrophobicContact CZ-CB 4.01Å; I489-N493 PolarHBondContact O-N 2.72Å; I489-N493 PolarHBondContact O-ND2 2.84Å; E491-N493 PolarHBondContact O-N 3.39Å |
| 494 | T | 80.1 | Confident | 87 | Confident | 6 Ų | 6 | 18.6 Ų | 18.6 | 4% | 0.037 | 9% | 0.093 | C | C | . | . | trans | -96.6 | 10.5 | -169.8 | 50.7 | 0 | 0 | 0 | 0 | 115.8 | L308 I332 R336 F405 V490 E491 | L308-T494 HydrophobicContact CD1-CG2 3.54Å; I332-T494 HydrophobicContact CD1-CG2 4.38Å; R336-T494 PolarHBondContact NH2-O 3.26Å; F405-T494 HydrophobicContact CE2-CG2 3.48Å; F405-T494 VanDerWaalsContact CE2-CG2 3.48Å; F405-T494 HydrophobicContact CZ-CG2 3.77Å; V490-T494 HydrophobicContact CG1-CG2 4.35Å; V490-T494 WeakPolarHBondContact O-CB 3.38Å; V490-T494 WeakPolarHBondContact O-CG2 3.35Å; V490-T494 PolarHBondContact O-N 3.41Å; V490-T494 PolarHBondContact O-OG1 3Å; E491-T494 PolarHBondContact O-N 3.3Å | ||
| 495 | A | 76.6 | Confident | 86.8 | Confident | 23 Ų | 23 | 19.2 Ų | 19.2 | 19% | 0.19 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -80.9 | 153.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D497 K498 | A495-D497 PolarHBondContact O-N 3.11Å; A495-K498 HydrophobicContact CB-CD 4.45Å; A495-K498 HydrophobicContact CB-CG 4Å; A495-K498 WeakPolarHBondContact O-CG 3.43Å |
| 496 | V | 70.5 | Confident | 86.5 | Confident | 22 Ų | 22 | 14.6 Ų | 14.6 | 13% | 0.133 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -40.3 | -164.3 | -177.5 | 0 | 0 | 0 | 0 | 114.8 | A305 | A305-V496 HydrophobicContact CB-CG2 4.08Š|
| 497 | D | 79.8 | Confident | 85.8 | Confident | 35 Ų | 35 | 18.7 Ų | 18.7 | 19% | 0.187 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | 45.5 | -173 | -72.1 | -36.4 | 0 | 0 | 0 | 110.7 | Y81 A495 D595 S596 | Y81-D497 PolarHBondContact OH-OD1 3.1Å; Y81-D497 PolarHBondContact OH-OD2 3.39Å; Y81-D497 VanDerWaalsContact OH-OD2 3.12Å; A495-D497 PolarHBondContact O-N 3.11Å; D497-D595 CarbonylContact O-C 3.42Å; D497-S596 CarbonylContact O-C 3.59Å; D497-S596 PolarHBondContact O-N 3.39Å; D497-S596 VanDerWaalsContact O-O 3.08Å |
| 498 | K | 88.4 | Confident | 84.9 | Confident | 25 Ų | 25 | 20.9 Ų | 20.9 | 11% | 0.109 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 130.8 | 175.2 | -76 | -74.4 | 172.4 | -178.3 | 0 | 111.4 | R84 D492 A495 G594 D595 | R84-K498 PolarHBondContact NH2-O 2.96Å; R84-K498 VanDerWaalsContact NH2-O 3.15Å; D492-K498 WeakPolarHBondContact O-CD 3.3Å; D492-K498 WeakPolarHBondContact O-CE 3.2Å; D492-K498 PolarHBondContact O-NZ 2.97Å; A495-K498 HydrophobicContact CB-CD 4.45Å; A495-K498 HydrophobicContact CB-CG 4Å; A495-K498 WeakPolarHBondContact O-CG 3.43Å; K498-G594 WeakPolarHBondContact CA-O 3.17Å; K498-D595 WeakPolarHBondContact CD-OD1 3.46Å; K498-D595 WeakPolarHBondContact CE-OD1 3.36Å; K498-D595 IonicContact NZ-OD1 2.86Å; K498-D595 PolarHBondContact NZ-OD1 2.67Å |
| 499 | V | 91.4 | Very high | 83.5 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 150.5 | 177.3 | -61.4 | 0 | 0 | 0 | 0 | 111.3 | L501 I593 G594 S596 D599 | V499-L501 HydrophobicContact CG2-CD2 3.81Å; V499-I593 VanDerWaalsContact O-CA 3.27Å; V499-I593 WeakPolarHBondContact O-CA 3.1Å; V499-G594 WeakPolarHBondContact CG2-O 3.42Å; V499-G594 PolarHBondContact N-O 3.23Å; V499-G594 PolarHBondContact O-N 3.19Å; V499-G594 VanDerWaalsContact O-N 3.1Å; V499-S596 WeakPolarHBondContact CG1-O 3.45Å; V499-D599 HydrophobicContact CG1-CB 3.91Å; V499-D599 WeakPolarHBondContact CG1-OD2 3.32Å |
| 500 | T | 93.1 | Very high | 82.5 | Confident | 5 Ų | 5 | 34.2 Ų | 34.2 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 123 | 170.7 | -52.7 | 0 | 0 | 0 | 0 | 109.1 | R503 V705 | T500-R503 HydrophobicContact CG2-CB 4.49Å; T500-V705 HydrophobicContact CG2-CB 4.49Å; T500-V705 PolarHBondContact O-N 2.96Å |
| 501 | L | 93.9 | Very high | 82 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | -32.6 | -179.4 | -54.6 | 179.5 | 0 | 0 | 0 | 111.8 | V499 V518 V522 I525 V592 V705 | V499-L501 HydrophobicContact CG2-CD2 3.81Å; L501-V518 HydrophobicContact CD1-CG2 4.39Å; L501-V522 HydrophobicContact CD1-CG1 3.92Å; L501-V522 HydrophobicContact CD2-CG1 4.32Å; L501-V522 HydrophobicContact CD2-CG2 4.1Å; L501-I525 HydrophobicContact CD1-CG1 4.34Å; L501-I525 HydrophobicContact CD1-CG2 4.38Å; L501-V592 HydrophobicContact CB-CB 4.4Å; L501-V592 HydrophobicContact CB-CG1 4.22Å; L501-V592 HydrophobicContact CD1-CG1 4.17Å; L501-V592 PolarHBondContact N-O 3.27Å; L501-V705 WeakPolarHBondContact O-CG2 3.34Å |
| 502 | F | 92.3 | Very high | 81.9 | Confident | 13 Ų | 13 | 35.3 Ų | 35.3 | 6% | 0.057 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 145.5 | -178.5 | 179.4 | -99.9 | 0 | 0 | 0 | 111.1 | A504 H514 F516 F590 V592 | F502-A504 HydrophobicContact CE1-CB 3.58Å; F502-A504 HydrophobicContact CE2-CB 4.31Å; F502-A504 HydrophobicContact CZ-CB 3.35Å; F502-H514 HydrophobicContact CE1-CB 3.68Å; F502-H514 AromaticContact CE1-CG 3.86Å; F502-H514 HydrophobicContact CZ-CB 3.59Å; F502-H514 AromaticContact CZ-CG 3.68Å; F502-H514 AromaticContact CZ-ND1 3.6Å; F502-F516 HydrophobicContact CB-CB 3.59Å; F502-F516 HydrophobicContact CG-CB 4.14Å; F502-F590 HydrophobicContact CE1-CB 4.25Å; F502-V592 HydrophobicContact CB-CB 4.1Å; F502-V592 HydrophobicContact CB-CG2 4.03Å; F502-V592 HydrophobicContact CD1-CG2 4.16Å; F502-V592 PolarHBondContact N-O 3.11Å; F502-V592 PolarHBondContact O-N 3.32Å |
| 503 | R | 91.1 | Very high | 81.9 | Confident | 16 Ų | 16 | 39 Ų | 39 | 6% | 0.06 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 129.7 | 172.3 | -177 | 173.5 | 169.3 | 97.9 | -15.4 | 109.8 | S468 L469 G472 G473 T500 F590 T591 | S468-R503 PolarHBondContact O-NH2 3.36Å; S468-R503 VanDerWaalsContact O-NH2 3.12Å; L469-R503 PolarHBondContact O-NH2 2.96Å; G472-R503 VanDerWaalsContact C-NH2 3.32Å; G472-R503 PolarHBondContact O-NH1 3.38Å; G472-R503 VanDerWaalsContact O-NH1 3.09Å; G473-R503 VanDerWaalsContact O-CZ 3.26Å; G473-R503 PolarHBondContact O-NH1 2.97Å; G473-R503 PolarHBondContact O-NH2 2.54Å; T500-R503 HydrophobicContact CG2-CB 4.49Å; R503-F590 VanDerWaalsContact CA-O 3.27Å; R503-F590 WeakPolarHBondContact CA-O 3.24Å; R503-T591 PolarHBondContact NH1-OG1 2.95Å |
| 504 | A | 88.3 | Confident | 82.2 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 158.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F502 F590 E653 | F502-A504 HydrophobicContact CE1-CB 3.58Å; F502-A504 HydrophobicContact CE2-CB 4.31Å; F502-A504 HydrophobicContact CZ-CB 3.35Å; A504-F590 PolarHBondContact N-O 2.91Å; A504-F590 PolarHBondContact O-N 3.37Å; A504-E653 VanDerWaalsContact CB-O 3.3Å; A504-E653 WeakPolarHBondContact CB-O 3.45Å |
| 505 | K | 86.1 | Confident | 82.7 | Confident | 64 Ų | 64 | 41.8 Ų | 41.8 | 28% | 0.278 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 143 | 162.5 | -171.5 | -168.4 | 173.8 | -135.9 | 0 | 107.7 | D507 H587 L588 A652 | K505-D507 IonicContact NZ-OD1 3.94Å; K505-H587 WeakPolarHBondContact CE-CD2 3.42Å; K505-H587 PolarHBondContact NZ-CD2 3.12Å; K505-H587 PolarHBondContact NZ-NE2 3.47Å; K505-H587 VanDerWaalsContact NZ-NE2 3.12Å; K505-L588 CarbonylContact C-O 3.58Å; K505-L588 WeakPolarHBondContact CA-O 3.37Å; K505-A652 PolarHBondContact N-O 3.48Å |
| 506 | S | 82.8 | Confident | 83.5 | Confident | 7 Ų | 7 | 40.9 Ų | 40.9 | 5% | 0.049 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 150.9 | 166.2 | 74.4 | 0 | 0 | 0 | 0 | 111.1 | H587 L588 | S506-H587 WeakPolarHBondContact O-CA 3.46Å; S506-L588 PolarHBondContact N-O 3.39Å; S506-L588 PolarHBondContact O-N 3.22Å |
| 507 | D | 72.4 | Confident | 84.6 | Confident | 87 Ų | 87 | 41.9 Ų | 41.9 | 47% | 0.465 | 22% | 0.217 | S | C | . | . | trans | -81.6 | 162.2 | 169.9 | -78.1 | -4.2 | 0 | 0 | 0 | 111.9 | K505 H587 | K505-D507 IonicContact NZ-OD1 3.94Å; D507-H587 IonicContact OD1-CD2 2.97Å; D507-H587 IonicContact OD1-NE2 2.69Å | ||
| 508 | P | 70.4 | Confident | 85.2 | Confident | 46 Ų | 46 | 40.3 Ų | 40.3 | 30% | 0.299 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -68.5 | 167.6 | -176.6 | -20 | 34.9 | 0 | 0 | 0 | 114.1 | L510 | P508-L510 PolarHBondContact O-N 3.03Š|
| 509 | E | 59 | Low | 85.2 | Confident | 164 Ų | 164 | 39.3 Ų | 39.3 | 77% | 0.766 | 21% | 0.205 | S | C | * | . | S | Bend | trans | 66.9 | -18.9 | 168.6 | -56.1 | -174.7 | 172 | 0 | 0 | 117.1 | S584 | E509-S584 PolarHBondContact N-O 3.46Š|
| 510 | L | 66.5 | Low | 84.9 | Confident | 131 Ų | 131 | 40.6 Ų | 40.6 | 69% | 0.686 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -89.7 | 148.3 | 176.3 | -160.3 | 69.8 | 0 | 0 | 0 | 112.3 | P508 S512 | P508-L510 PolarHBondContact O-N 3.03Å; L510-S512 PolarHBondContact O-N 2.89Å |
| 511 | M | 80.8 | Confident | 84.5 | Confident | 68 Ų | 68 | 42.1 Ų | 42.1 | 34% | 0.335 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 94.8 | 160.8 | -82.9 | -66.9 | -58.1 | 0 | 0 | 108.8 | Q581 K583 | M511-Q581 HydrophobicContact CE-CB 3.84Å; M511-K583 HydrophobicContact SD-CB 3.6Å; M511-K583 HydrophobicContact SD-CD 4.28Å; M511-K583 HydrophobicContact SD-CG 3.99Å |
| 512 | S | 83.8 | Confident | 84.4 | Confident | 10 Ų | 10 | 42.6 Ų | 42.6 | 7% | 0.07 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 134.8 | 172.7 | 65.6 | 0 | 0 | 0 | 0 | 110 | L510 Q581 A582 | L510-S512 PolarHBondContact O-N 2.89Å; S512-Q581 CarbonylContact O-C 3.58Å; S512-Q581 VanDerWaalsContact O-CA 3.26Å; S512-Q581 WeakPolarHBondContact O-CA 3.49Å; S512-A582 PolarHBondContact N-O 2.79Å; S512-A582 PolarHBondContact O-N 3.35Å; S512-A582 PolarHBondContact OG-O 2.96Å |
| 513 | V | 88.8 | Confident | 84.3 | Confident | 88 Ų | 88 | 48.6 Ų | 48.6 | 53% | 0.533 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 107.2 | 178.1 | -178 | 0 | 0 | 0 | 0 | 108.8 | L580 Q581 | V513-L580 WeakPolarHBondContact CA-O 3.42Å; V513-Q581 HydrophobicContact CG1-CG 4.26Å; V513-Q581 HydrophobicContact CG2-CG 4.15Å |
| 514 | H | 89.9 | Confident | 84.3 | Confident | 23 Ų | 23 | 51.9 Ų | 51.9 | 11% | 0.106 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 155.4 | 179.9 | -61.3 | -63.3 | 0 | 0 | 0 | 110.7 | F502 K579 L580 F590 E653 | F502-H514 HydrophobicContact CE1-CB 3.68Å; F502-H514 AromaticContact CE1-CG 3.86Å; F502-H514 HydrophobicContact CZ-CB 3.59Å; F502-H514 AromaticContact CZ-CG 3.68Å; F502-H514 AromaticContact CZ-ND1 3.6Å; H514-K579 WeakPolarHBondContact O-CA 3.22Å; H514-L580 PolarHBondContact N-O 2.83Å; H514-L580 PolarHBondContact O-N 2.84Å; H514-F590 AromaticContact CD2-CD2 3.61Å; H514-F590 AromaticContact CD2-CE2 3.47Å; H514-F590 VanDerWaalsContact CD2-CE2 3.47Å; H514-F590 WeakPolarHBondContact CD2-CE2 3.27Å; H514-F590 AromaticContact CD2-CZ 3.95Å; H514-F590 AromaticContact NE2-CD2 3.66Å; H514-F590 AromaticContact NE2-CE2 3.41Å; H514-F590 WeakPolarHBondContact NE2-CE2 3.4Å; H514-E653 PolarHBondContact CE1-O 2.72Å |
| 515 | S | 91.8 | Very high | 84.6 | Confident | 47 Ų | 47 | 51.9 Ų | 51.9 | 33% | 0.329 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 142.3 | 175.4 | 78.4 | 0 | 0 | 0 | 0 | 111.3 | Q577 W578 | S515-Q577 PolarHBondContact OG-NE2 3.35Å; S515-W578 WeakPolarHBondContact CA-O 3.21Å; S515-W578 WeakPolarHBondContact CB-O 3.36Å |
| 516 | F | 93.1 | Very high | 85.1 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 1% | 0.013 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 151.2 | 179.5 | 63.4 | -88.2 | 0 | 0 | 0 | 109.8 | F502 V518 I525 L527 W578 V592 | F502-F516 HydrophobicContact CB-CB 3.59Å; F502-F516 HydrophobicContact CG-CB 4.14Å; F516-V518 HydrophobicContact CD2-CG2 3.98Å; F516-V518 HydrophobicContact CE2-CG2 3.73Å; F516-I525 HydrophobicContact CE2-CG2 4.38Å; F516-L527 HydrophobicContact CE1-CD2 3.94Å; F516-L527 HydrophobicContact CZ-CD1 4.36Å; F516-L527 HydrophobicContact CZ-CD2 4.1Å; F516-L527 HydrophobicContact CZ-CG 4.42Å; F516-W578 HydrophobicContact CD1-CB 4.2Å; F516-W578 HydrophobicContact CD2-CB 4.16Å; F516-W578 HydrophobicContact CE1-CB 3.75Å; F516-W578 HydrophobicContact CE2-CB 3.71Å; F516-W578 AromaticContact CE2-CG 3.97Å; F516-W578 HydrophobicContact CE2-CG 3.97Å; F516-W578 HydrophobicContact CG-CB 4.39Å; F516-W578 HydrophobicContact CZ-CB 3.48Å; F516-W578 VanDerWaalsContact CZ-CB 3.48Å; F516-W578 AromaticContact CZ-CG 3.99Å; F516-W578 HydrophobicContact CZ-CG 3.99Å; F516-W578 PolarHBondContact N-O 3.34Å; F516-W578 VanDerWaalsContact N-O 3.08Å; F516-W578 PolarHBondContact O-N 3.47Å; F516-V592 HydrophobicContact CD1-CG2 4.17Å; F516-V592 HydrophobicContact CD2-CG1 3.91Å; F516-V592 HydrophobicContact CE1-CG2 4.39Å; F516-V592 HydrophobicContact CE2-CG1 3.89Å; F516-V592 HydrophobicContact CG-CG1 4.28Å; F516-V592 HydrophobicContact CG-CG2 4.39Å; F516-V592 HydrophobicContact CZ-CG1 4.25Å |
| 517 | R | 92.2 | Very high | 85.7 | Confident | 43 Ų | 43 | 48.9 Ų | 48.9 | 16% | 0.162 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 134.6 | 177.7 | -170.6 | 175.1 | -59.3 | -79.4 | -13.4 | 111.2 | G576 K701 E703 | R517-G576 WeakPolarHBondContact CA-O 3.15Å; R517-K701 WeakPolarHBondContact CD-O 3.31Å; R517-E703 HydrophobicContact CB-CB 4.16Å; R517-E703 HydrophobicContact CB-CG 4.15Å; R517-E703 WeakPolarHBondContact CB-OE2 3.38Å; R517-E703 IonicContact CZ-OE1 3.67Å; R517-E703 IonicContact NE-OE1 3.89Å; R517-E703 PolarHBondContact NE-OE1 2.89Å; R517-E703 IonicContact NH2-OE1 3.97Å; R517-E703 PolarHBondContact NH2-OE1 2.89Å |
| 518 | V | 92.4 | Very high | 86.7 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 115.3 | 168 | -179.2 | 0 | 0 | 0 | 0 | 106.9 | L501 F516 V522 I525 V573 A575 G576 W578 | L501-V518 HydrophobicContact CD1-CG2 4.39Å; F516-V518 HydrophobicContact CD2-CG2 3.98Å; F516-V518 HydrophobicContact CE2-CG2 3.73Å; V518-V522 HydrophobicContact CG1-CB 4.19Å; V518-V522 HydrophobicContact CG1-CG1 4.43Å; V518-I525 HydrophobicContact CG1-CD1 4.03Å; V518-I525 HydrophobicContact CG1-CG1 4.16Å; V518-I525 HydrophobicContact CG2-CG1 4.14Å; V518-V573 HydrophobicContact CG1-CG1 4.18Å; V518-A575 CarbonylContact O-C 3.59Å; V518-A575 WeakPolarHBondContact O-CA 3.37Å; V518-G576 PolarHBondContact N-O 3.28Å; V518-G576 PolarHBondContact O-N 2.82Å; V518-W578 HydrophobicContact CG2-CG 4.45Å |
| 519 | D | 89.5 | Confident | 87.7 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | trans | -89.5 | -169.5 | 174.5 | 72.8 | 80.5 | 0 | 0 | 0 | 111.9 | S521 V522 L702 R704 | D519-S521 WeakPolarHBondContact OD1-CB 3.09Å; D519-S521 PolarHBondContact OD1-N 3.41Å; D519-S521 PolarHBondContact OD1-OG 2.87Å; D519-V522 VanDerWaalsContact OD2-CG2 3.26Å; D519-V522 WeakPolarHBondContact OD2-CG2 3.35Å; D519-L702 HydrophobicContact CB-CB 3.89Å; D519-R704 IonicContact OD1-NH2 2.72Å; D519-R704 IonicContact OD2-CZ 3.95Å; D519-R704 VanDerWaalsContact OD2-CZ 3.24Å; D519-R704 IonicContact OD2-NH1 3.48Å; D519-R704 PolarHBondContact OD2-NH1 3.1Å; D519-R704 IonicContact OD2-NH2 3.69Å; D519-R704 PolarHBondContact OD2-NH2 2.67Å | ||
| 520 | S | 85.8 | Confident | 89.2 | Confident | 30 Ų | 30 | 35.8 Ų | 35.8 | 21% | 0.21 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -3.1 | -172.2 | 76.5 | 0 | 0 | 0 | 0 | 115.5 | D696 R698 | S520-D696 WeakPolarHBondContact CB-OD2 3.41Å; S520-D696 PolarHBondContact OG-OD2 2.81Å; S520-R698 PolarHBondContact O-NH2 3.07Å; S520-R698 VanDerWaalsContact OG-CZ 3.22Å; S520-R698 PolarHBondContact OG-NE 3.12Å; S520-R698 PolarHBondContact OG-NH2 3Å |
| 521 | S | 84.7 | Confident | 90.1 | Very high | 36 Ų | 36 | 30.6 Ų | 30.6 | 25% | 0.252 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 5.8 | 177.9 | 69.4 | 0 | 0 | 0 | 0 | 113.3 | D519 S596 R704 | D519-S521 WeakPolarHBondContact OD1-CB 3.09Å; D519-S521 PolarHBondContact OD1-N 3.41Å; D519-S521 PolarHBondContact OD1-OG 2.87Å; S521-S596 WeakPolarHBondContact O-CA 3.37Å; S521-S596 VanDerWaalsContact O-CB 3.25Å; S521-S596 WeakPolarHBondContact O-CB 3.44Å; S521-S596 PolarHBondContact O-OG 2.7Å; S521-S596 PolarHBondContact OG-OG 3.35Å; S521-R704 PolarHBondContact OG-NH2 3.19Å |
| 522 | V | 90 | Very high | 90.3 | Very high | 12 Ų | 12 | 30.4 Ų | 30.4 | 7% | 0.073 | 18% | 0.175 | C | C | . | . | trans | -105.8 | 123.7 | -177 | -176.5 | 0 | 0 | 0 | 0 | 110.2 | L501 V518 D519 I525 D595 R704 | L501-V522 HydrophobicContact CD1-CG1 3.92Å; L501-V522 HydrophobicContact CD2-CG1 4.32Å; L501-V522 HydrophobicContact CD2-CG2 4.1Å; V518-V522 HydrophobicContact CG1-CB 4.19Å; V518-V522 HydrophobicContact CG1-CG1 4.43Å; D519-V522 VanDerWaalsContact OD2-CG2 3.26Å; D519-V522 WeakPolarHBondContact OD2-CG2 3.35Å; V522-I525 HydrophobicContact CG1-CD1 3.88Å; V522-I525 HydrophobicContact CG1-CG1 3.84Å; V522-D595 CarbonylContact C-O 3.55Å; V522-D595 WeakPolarHBondContact CA-O 3.35Å; V522-R704 VanDerWaalsContact CG2-NH2 3.34Å | ||
| 523 | E | 90.6 | Very high | 90.4 | Very high | 138 Ų | 138 | 30.5 Ų | 30.5 | 65% | 0.645 | 18% | 0.175 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 171 | 174.9 | -62.4 | -174.4 | -177.9 | 0 | 0 | 110.8 | I525 D595 | E523-I525 PolarHBondContact O-N 3.42Å; E523-D595 HydrophobicContact CB-CB 4.48Å; E523-D595 PolarHBondContact N-O 3.44Å; E523-D595 PolarHBondContact O-N 3.49Å |
| 524 | N | 91.4 | Very high | 90.4 | Very high | 86 Ų | 86 | 29.8 Ų | 29.8 | 46% | 0.46 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 46 | 52.7 | 174.9 | -58.1 | -43.7 | 0 | 0 | 0 | 115.2 | I526 D595 | N524-I526 PolarHBondContact O-N 2.9Å; N524-D595 WeakPolarHBondContact CB-OD2 3.11Å; N524-D595 PolarHBondContact ND2-OD2 3.05Å |
| 525 | I | 95.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 127.2 | -179 | -58.6 | 71.4 | 0 | 0 | 0 | 110 | L501 F516 V518 V522 E523 L527 L569 V573 V592 I593 | L501-I525 HydrophobicContact CD1-CG1 4.34Å; L501-I525 HydrophobicContact CD1-CG2 4.38Å; F516-I525 HydrophobicContact CE2-CG2 4.38Å; V518-I525 HydrophobicContact CG1-CD1 4.03Å; V518-I525 HydrophobicContact CG1-CG1 4.16Å; V518-I525 HydrophobicContact CG2-CG1 4.14Å; V522-I525 HydrophobicContact CG1-CD1 3.88Å; V522-I525 HydrophobicContact CG1-CG1 3.84Å; E523-I525 PolarHBondContact O-N 3.42Å; I525-L527 HydrophobicContact CG2-CD1 4.22Å; I525-L569 HydrophobicContact CB-CB 4.19Å; I525-L569 HydrophobicContact CB-CD1 3.8Å; I525-L569 HydrophobicContact CB-CG 3.92Å; I525-L569 HydrophobicContact CG1-CD1 4.36Å; I525-L569 HydrophobicContact CG2-CD1 3.68Å; I525-L569 HydrophobicContact CG2-CG 3.91Å; I525-L569 PolarHBondContact O-N 3.1Å; I525-V573 HydrophobicContact CD1-CB 4.38Å; I525-V573 HydrophobicContact CD1-CG1 3.94Å; I525-V573 HydrophobicContact CD1-CG2 4.32Å; I525-V592 HydrophobicContact CG2-CG1 3.94Å; I525-I593 WeakPolarHBondContact CA-O 3.41Å |
| 526 | I | 95.4 | Very high | 90.5 | Very high | 7 Ų | 7 | 29.2 Ų | 29.2 | 4% | 0.036 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 135.1 | 176.6 | -53.3 | 177.6 | 0 | 0 | 0 | 108.6 | D492 N524 R566 I567 K568 I593 | D492-I526 HydrophobicContact CB-CD1 4.13Å; D492-I526 VanDerWaalsContact CG-CD1 3.47Å; D492-I526 WeakPolarHBondContact OD1-CD1 3.3Å; N524-I526 PolarHBondContact O-N 2.9Å; I526-R566 HydrophobicContact CG2-CG 4.05Å; I526-I567 WeakPolarHBondContact CA-O 3.41Å; I526-K568 HydrophobicContact CG1-CG 4.41Å; I526-I593 HydrophobicContact CB-CG1 4.08Å; I526-I593 PolarHBondContact N-O 2.86Å; I526-I593 PolarHBondContact O-N 3.45Å |
| 527 | L | 95.4 | Very high | 90.5 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 123.4 | 171.8 | -55.2 | 71.2 | 0 | 0 | 0 | 107.8 | F516 I525 L538 I567 L569 L580 T591 V592 | F516-L527 HydrophobicContact CE1-CD2 3.94Å; F516-L527 HydrophobicContact CZ-CD1 4.36Å; F516-L527 HydrophobicContact CZ-CD2 4.1Å; F516-L527 HydrophobicContact CZ-CG 4.42Å; I525-L527 HydrophobicContact CG2-CD1 4.22Å; L527-L538 HydrophobicContact CD2-CD1 4.47Å; L527-I567 HydrophobicContact CB-CB 4.2Å; L527-I567 HydrophobicContact CD1-CG2 4.5Å; L527-I567 PolarHBondContact N-O 2.67Å; L527-I567 PolarHBondContact O-N 3Å; L527-L569 HydrophobicContact CD1-CD2 3.8Å; L527-L569 HydrophobicContact CD1-CG 4.01Å; L527-L580 HydrophobicContact CD2-CD1 4.13Å; L527-L580 HydrophobicContact CD2-CD2 4.2Å; L527-T591 WeakPolarHBondContact CA-O 3.37Å; L527-V592 HydrophobicContact CB-CG2 4.44Å; L527-V592 HydrophobicContact CD2-CG2 4.32Å; L527-V592 HydrophobicContact CG-CG1 4.09Å; L527-V592 HydrophobicContact CG-CG2 3.95Å |
| 528 | H | 93.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 126.6 | 171.8 | -65.9 | 146.3 | 0 | 0 | 0 | 108.4 | M474 D492 F564 T591 | M474-H528 HydrophobicContact CE-CB 4.23Å; M474-H528 HydrophobicContact SD-CB 3.65Å; D492-H528 IonicContact OD2-CD2 2.73Å; D492-H528 IonicContact OD2-CE1 2.71Å; D492-H528 PolarHBondContact OD2-CE1 3.3Å; D492-H528 IonicContact OD2-NE2 3.3Å; D492-H528 PolarHBondContact OD2-NE2 3.47Å; H528-F564 HydrophobicContact CB-CE2 3.95Å; H528-F564 HydrophobicContact CB-CZ 4.38Å; H528-F564 AromaticContact CD2-CZ 3.66Å; H528-T591 PolarHBondContact N-O 2.89Å; H528-T591 PolarHBondContact O-N 3.19Å |
| 529 | I | 92.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 121.2 | 179.5 | -44.6 | 173.7 | 0 | 0 | 0 | 109 | M533 Y565 I567 L580 L588 T589 F590 | I529-M533 HydrophobicContact CB-CE 3.78Å; I529-M533 HydrophobicContact CD1-CE 3.77Å; I529-M533 HydrophobicContact CG1-CE 4.36Å; I529-M533 HydrophobicContact CG2-CE 3.44Å; I529-M533 VanDerWaalsContact CG2-CE 3.44Å; I529-Y565 PolarHBondContact N-O 3.47Å; I529-Y565 PolarHBondContact O-N 3.08Å; I529-I567 HydrophobicContact CD1-CD1 3.71Å; I529-L580 HydrophobicContact CD1-CD2 4Å; I529-L588 HydrophobicContact CG2-CB 4.38Å; I529-L588 HydrophobicContact CG2-CD2 4.35Å; I529-T589 WeakPolarHBondContact CA-O 3.37Å; I529-F590 HydrophobicContact CB-CD1 4.39Å; I529-F590 HydrophobicContact CD1-CD1 3.8Å; I529-F590 HydrophobicContact CD1-CE1 3.94Å; I529-F590 HydrophobicContact CG1-CD1 3.81Å; I529-F590 HydrophobicContact CG1-CE1 4.32Å; I529-F590 HydrophobicContact CG2-CD1 3.74Å; I529-F590 HydrophobicContact CG2-CE1 3.78Å; I529-F590 HydrophobicContact CG2-CG 4.44Å; I529-F590 HydrophobicContact CG2-CZ 4.49Å |
| 530 | T | 89.2 | Confident | 91.1 | Very high | 20 Ų | 20 | 28.3 Ų | 28.3 | 12% | 0.123 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 147.3 | 175.2 | 60.7 | 0 | 0 | 0 | 0 | 111 | V476 G563 F564 L588 T589 | V476-T530 HydrophobicContact CG2-CG2 4.11Å; T530-G563 WeakPolarHBondContact CA-O 3.49Å; T530-F564 HydrophobicContact CG2-CD2 4.02Å; T530-L588 WeakPolarHBondContact O-CA 3.41Å; T530-T589 PolarHBondContact N-O 3.28Å; T530-T589 PolarHBondContact O-N 2.95Å; T530-T589 VanDerWaalsContact O-N 3.13Å; T530-T589 WeakPolarHBondContact OG1-CB 3.16Å |
| 531 | G | 85.3 | Confident | 91.5 | Very high | 21 Ų | 21 | 29 Ų | 29 | 22% | 0.216 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 113.6 | -167.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | G563 Y565 | G531-G563 PolarHBondContact N-O 2.96Å; G531-G563 CarbonylContact O-C 3.47Å; G531-G563 WeakPolarHBondContact O-CA 3.42Å; G531-Y565 WeakPolarHBondContact O-CE2 3.23Å |
| 532 | T | 85.2 | Confident | 91.9 | Very high | 64 Ų | 64 | 29.9 Ų | 29.9 | 39% | 0.393 | 17% | 0.171 | S | C | . | . | trans | -110.6 | 136.2 | 176.8 | 69.6 | 0 | 0 | 0 | 0 | 110 | S584 D586 L588 | T532-S584 WeakPolarHBondContact O-CB 3.13Å; T532-S584 PolarHBondContact O-OG 3.44Å; T532-D586 PolarHBondContact OG1-OD2 3.17Å; T532-L588 WeakPolarHBondContact O-CD2 3.42Å | ||
| 533 | M | 87.5 | Confident | 92.1 | Very high | 13 Ų | 13 | 35 Ų | 35 | 6% | 0.064 | 20% | 0.198 | C | C | . | . | trans | -130.3 | 141.2 | 177.2 | 60.6 | 176.6 | 71 | 0 | 0 | 112.7 | I529 C536 L549 Y565 K583 L588 | I529-M533 HydrophobicContact CB-CE 3.78Å; I529-M533 HydrophobicContact CD1-CE 3.77Å; I529-M533 HydrophobicContact CG1-CE 4.36Å; I529-M533 HydrophobicContact CG2-CE 3.44Å; I529-M533 VanDerWaalsContact CG2-CE 3.44Å; M533-C536 HydrophobicContact SD-CB 3.6Å; M533-L549 HydrophobicContact CG-CD1 3.89Å; M533-L549 HydrophobicContact CG-CD2 4.21Å; M533-L549 HydrophobicContact SD-CD1 4.23Å; M533-L549 HydrophobicContact SD-CD2 4.02Å; M533-L549 HydrophobicContact SD-CG 4.42Å; M533-Y565 HydrophobicContact CE-CD1 4.34Å; M533-Y565 HydrophobicContact CE-CD2 3.61Å; M533-Y565 HydrophobicContact CE-CE2 4.04Å; M533-Y565 HydrophobicContact CE-CG 3.79Å; M533-Y565 HydrophobicContact CG-CD1 4.1Å; M533-Y565 HydrophobicContact CG-CD2 4.08Å; M533-Y565 HydrophobicContact CG-CE1 3.62Å; M533-Y565 HydrophobicContact CG-CE2 3.62Å; M533-Y565 HydrophobicContact CG-CG 4.32Å; M533-Y565 PolarHBondContact N-OH 2.94Å; M533-Y565 HydrophobicContact SD-CD1 3.91Å; M533-Y565 HydrophobicContact SD-CD2 4.17Å; M533-Y565 HydrophobicContact SD-CE1 4.04Å; M533-Y565 HydrophobicContact SD-CE2 4.3Å; M533-Y565 HydrophobicContact SD-CG 3.99Å; M533-K583 CarbonylContact C-O 3.58Å; M533-K583 VanDerWaalsContact CA-O 3.29Å; M533-K583 WeakPolarHBondContact CA-O 3.47Å; M533-K583 WeakPolarHBondContact CB-O 3.41Å; M533-L588 HydrophobicContact CB-CD1 4.4Å; M533-L588 HydrophobicContact CB-CD2 4.49Å | ||
| 534 | T | 88.7 | Confident | 92.2 | Very high | 72 Ų | 72 | 33.5 Ų | 33.5 | 44% | 0.442 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -101.5 | -23.1 | -179.8 | 54.5 | 0 | 0 | 0 | 0 | 112.7 | K583 | T534-K583 PolarHBondContact N-O 2.87Å; T534-K583 PolarHBondContact OG1-O 2.66Å |
| 535 | E | 90.3 | Very high | 92.3 | Very high | 58 Ų | 58 | 36.4 Ų | 36.4 | 27% | 0.271 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 140.6 | 174.5 | -175.1 | 159.5 | -151.6 | 0 | 0 | 110.2 | I537 A582 K583 | E535-I537 HydrophobicContact CG-CD1 4.47Å; E535-I537 HydrophobicContact CG-CG1 4.24Å; E535-A582 CarbonylContact O-C 3.44Å; E535-A582 VanDerWaalsContact O-CA 3.26Å; E535-A582 WeakPolarHBondContact O-CA 3.3Å; E535-K583 HydrophobicContact CB-CB 3.99Å; E535-K583 PolarHBondContact O-N 2.9Å |
| 536 | C | 92.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 123 | 173.2 | 178.1 | 0 | 0 | 0 | 0 | 109.9 | M533 S547 I548 L549 Q581 | M533-C536 HydrophobicContact SD-CB 3.6Å; C536-S547 CarbonylContact O-C 3.53Å; C536-I548 HydrophobicContact CB-CB 4.22Å; C536-I548 PolarHBondContact O-N 2.81Å; C536-L549 HydrophobicContact CB-CD1 4.24Å; C536-L549 HydrophobicContact CB-CG 4.04Å; C536-Q581 CarbonylContact C-O 3.55Å; C536-Q581 VanDerWaalsContact CA-O 3.31Å; C536-Q581 WeakPolarHBondContact CA-O 3.45Å |
| 537 | I | 94.1 | Very high | 92.1 | Very high | 21 Ų | 21 | 37.2 Ų | 37.2 | 11% | 0.108 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 118.6 | -179.2 | -51.6 | 175 | 0 | 0 | 0 | 108.8 | E535 R545 Q546 Q581 | E535-I537 HydrophobicContact CG-CD1 4.47Å; E535-I537 HydrophobicContact CG-CG1 4.24Å; I537-R545 HydrophobicContact CG2-CB 4.28Å; I537-Q546 WeakPolarHBondContact CA-O 3.29Å; I537-Q581 HydrophobicContact CB-CB 4.31Å; I537-Q581 PolarHBondContact N-O 2.81Å; I537-Q581 PolarHBondContact O-N 2.91Å |
| 538 | L | 95.4 | Very high | 92 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 134 | 171.8 | -174.7 | 68.5 | 0 | 0 | 0 | 109.4 | L527 R545 Q546 I548 L555 A556 L569 W578 L580 | L527-L538 HydrophobicContact CD2-CD1 4.47Å; L538-R545 CarbonylContact O-C 3.48Å; L538-R545 VanDerWaalsContact O-CA 3.31Å; L538-R545 WeakPolarHBondContact O-CA 3.43Å; L538-Q546 PolarHBondContact N-O 2.86Å; L538-Q546 PolarHBondContact O-N 2.97Å; L538-I548 HydrophobicContact CB-CD1 3.76Å; L538-I548 HydrophobicContact CB-CG1 3.89Å; L538-I548 HydrophobicContact CD2-CD1 4.25Å; L538-L555 HydrophobicContact CD2-CB 4.33Å; L538-A556 HydrophobicContact CD2-CB 3.84Å; L538-L569 HydrophobicContact CD2-CD2 3.52Å; L538-W578 HydrophobicContact CD1-CE3 3.95Å; L538-W578 HydrophobicContact CD2-CE3 4.08Å; L538-W578 HydrophobicContact CD2-CZ3 3.81Å; L538-W578 HydrophobicContact CG-CE3 3.94Å; L538-W578 HydrophobicContact CG-CZ3 4.05Å; L538-L580 HydrophobicContact CD1-CD1 4.1Å |
| 539 | T | 95.6 | Very high | 91.7 | Very high | 9 Ų | 9 | 39.9 Ų | 39.9 | 6% | 0.055 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 124.3 | 176.4 | -48.1 | 0 | 0 | 0 | 0 | 110.1 | K544 R545 K579 | T539-K544 WeakPolarHBondContact CA-O 3.38Å; T539-R545 HydrophobicContact CG2-CG 3.9Å; T539-K579 PolarHBondContact N-O 3.09Å; T539-K579 PolarHBondContact O-N 2.88Å |
| 540 | S | 94.7 | Very high | 91.4 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.014 | 25% | 0.246 | C | C | . | . | trans | -77.1 | 165.2 | 177.7 | 70.8 | 0 | 0 | 0 | 0 | 112.8 | S542 D543 K544 | S540-S542 PolarHBondContact O-N 3.12Å; S540-S542 PolarHBondContact OG-N 3.2Å; S540-S542 PolarHBondContact OG-OG 2.97Å; S540-D543 PolarHBondContact O-N 2.99Å; S540-K544 PolarHBondContact N-O 3.33Å; S540-K544 WeakPolarHBondContact OG-CB 3.19Å; S540-K544 PolarHBondContact OG-N 3.34Å; S540-K544 PolarHBondContact OG-O 3.32Å | ||
| 541 | P | 93.8 | Very high | 91.1 | Very high | 44 Ų | 44 | 52.7 Ų | 52.7 | 29% | 0.286 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -15 | 173.2 | -25 | 33.9 | 0 | 0 | 0 | 115.4 | Q574 W578 | P541-Q574 HydrophobicContact CG-CB 4.05Å; P541-W578 VanDerWaalsContact CD-CE2 3.44Å; P541-W578 HydrophobicContact CG-CG 4.35Å |
| 542 | S | 93.6 | Very high | 91 | Very high | 55 Ų | 55 | 58.5 Ų | 58.5 | 39% | 0.385 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 21.1 | 173.8 | 58 | 0 | 0 | 0 | 0 | 113.2 | S540 K544 Q574 | S540-S542 PolarHBondContact O-N 3.12Å; S540-S542 PolarHBondContact OG-N 3.2Å; S540-S542 PolarHBondContact OG-OG 2.97Å; S542-K544 PolarHBondContact O-N 3Å; S542-Q574 VanDerWaalsContact CB-OE1 3.3Å; S542-Q574 VanDerWaalsContact OG-CD 3.29Å; S542-Q574 PolarHBondContact OG-NE2 2.91Å; S542-Q574 PolarHBondContact OG-OE1 3.06Å |
| 543 | D | 93.8 | Very high | 90.8 | Very high | 120 Ų | 120 | 56.6 Ų | 56.6 | 64% | 0.642 | 28% | 0.279 | S | S | * | . | trans | 56 | 9.4 | -178.3 | -68.7 | -51.9 | 0 | 0 | 0 | 115.8 | S540 R545 | S540-D543 PolarHBondContact O-N 2.99Å; D543-R545 PolarHBondContact O-N 2.9Å | ||
| 544 | K | 93.3 | Very high | 90.8 | Very high | 107 Ų | 107 | 61.6 Ų | 61.6 | 47% | 0.465 | 30% | 0.302 | S | S | . | . | trans | -64.3 | 134 | 165.7 | -56.2 | -173.7 | -178.9 | -174.3 | 0 | 109.8 | T539 S540 S542 H554 L555 | T539-K544 WeakPolarHBondContact CA-O 3.38Å; S540-K544 PolarHBondContact N-O 3.33Å; S540-K544 WeakPolarHBondContact OG-CB 3.19Å; S540-K544 PolarHBondContact OG-N 3.34Å; S540-K544 PolarHBondContact OG-O 3.32Å; S542-K544 PolarHBondContact O-N 3Å; K544-H554 WeakPolarHBondContact CD-NE2 3.29Å; K544-L555 HydrophobicContact CB-CD1 4.25Å; K544-L555 HydrophobicContact CB-CD2 4.36Å; K544-L555 WeakPolarHBondContact O-CD1 3.41Å | ||
| 545 | R | 93.4 | Very high | 91 | Very high | 146 Ų | 146 | 58.7 Ų | 58.7 | 55% | 0.551 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 148.9 | -179 | -57.3 | 176.4 | 76.4 | -173.2 | 2.6 | 110.4 | I537 L538 T539 D543 | I537-R545 HydrophobicContact CG2-CB 4.28Å; L538-R545 CarbonylContact O-C 3.48Å; L538-R545 VanDerWaalsContact O-CA 3.31Å; L538-R545 WeakPolarHBondContact O-CA 3.43Å; T539-R545 HydrophobicContact CG2-CG 3.9Å; D543-R545 PolarHBondContact O-N 2.9Å |
| 546 | Q | 93.7 | Very high | 91.2 | Very high | 6 Ų | 6 | 55.9 Ų | 55.9 | 3% | 0.028 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 132.6 | 170.4 | -179.8 | -179.1 | -30.5 | 0 | 0 | 109.2 | I537 L538 I548 E551 G553 L555 A556 | I537-Q546 WeakPolarHBondContact CA-O 3.29Å; L538-Q546 PolarHBondContact N-O 2.86Å; L538-Q546 PolarHBondContact O-N 2.97Å; Q546-I548 HydrophobicContact CB-CD1 4.36Å; Q546-I548 HydrophobicContact CG-CD1 4.09Å; Q546-I548 PolarHBondContact O-N 2.81Å; Q546-E551 PolarHBondContact NE2-O 2.67Å; Q546-E551 VanDerWaalsContact NE2-O 3.13Å; Q546-G553 VanDerWaalsContact NE2-N 3.12Å; Q546-G553 VanDerWaalsContact OE1-C 3.28Å; Q546-L555 HydrophobicContact CB-CB 4.43Å; Q546-L555 HydrophobicContact CB-CD1 3.99Å; Q546-L555 HydrophobicContact CB-CG 4.39Å; Q546-A556 PolarHBondContact NE2-O 3Å; Q546-A556 VanDerWaalsContact OE1-N 3.17Å |
| 547 | S | 93 | Very high | 91.3 | Very high | 18 Ų | 18 | 59.7 Ų | 59.7 | 13% | 0.126 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 97.5 | 172.2 | -169.2 | 0 | 0 | 0 | 0 | 109.6 | C536 L549 R550 E551 | C536-S547 CarbonylContact O-C 3.53Å; S547-L549 VanDerWaalsContact C-N 3.28Å; S547-L549 PolarHBondContact O-N 2.89Å; S547-R550 PolarHBondContact O-N 2.83Å; S547-E551 PolarHBondContact N-OE2 2.81Å; S547-E551 VanDerWaalsContact N-OE2 3.16Å; S547-E551 PolarHBondContact O-N 3.44Å |
| 548 | I | 92.4 | Very high | 91.2 | Very high | 5 Ų | 5 | 60.5 Ų | 60.5 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -35.7 | -166.2 | -61.4 | -60.7 | 0 | 0 | 0 | 112.8 | C536 L538 Q546 A556 L558 I567 | C536-I548 HydrophobicContact CB-CB 4.22Å; C536-I548 PolarHBondContact O-N 2.81Å; L538-I548 HydrophobicContact CB-CD1 3.76Å; L538-I548 HydrophobicContact CB-CG1 3.89Å; L538-I548 HydrophobicContact CD2-CD1 4.25Å; Q546-I548 HydrophobicContact CB-CD1 4.36Å; Q546-I548 HydrophobicContact CG-CD1 4.09Å; Q546-I548 PolarHBondContact O-N 2.81Å; I548-A556 HydrophobicContact CD1-CB 4.06Å; I548-L558 HydrophobicContact CG2-CB 3.94Å; I548-L558 HydrophobicContact CG2-CD1 4.05Å; I548-L558 HydrophobicContact CG2-CD2 4.08Å; I548-L558 HydrophobicContact CG2-CG 4.23Å; I548-L558 WeakPolarHBondContact O-CD2 3.47Å; I548-I567 HydrophobicContact CD1-CG2 4.38Å; I548-I567 HydrophobicContact CG2-CD1 3.84Å; I548-I567 HydrophobicContact CG2-CG1 3.94Å; I548-I567 HydrophobicContact CG2-CG2 4.44Å |
| 549 | L | 88 | Confident | 90.9 | Very high | 55 Ų | 55 | 63.5 Ų | 63.5 | 29% | 0.288 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -8.1 | -179.3 | -57.7 | 176.6 | 0 | 0 | 0 | 114.2 | M533 C536 S547 L558 Y565 | M533-L549 HydrophobicContact CG-CD1 3.89Å; M533-L549 HydrophobicContact CG-CD2 4.21Å; M533-L549 HydrophobicContact SD-CD1 4.23Å; M533-L549 HydrophobicContact SD-CD2 4.02Å; M533-L549 HydrophobicContact SD-CG 4.42Å; C536-L549 HydrophobicContact CB-CD1 4.24Å; C536-L549 HydrophobicContact CB-CG 4.04Å; S547-L549 VanDerWaalsContact C-N 3.28Å; S547-L549 PolarHBondContact O-N 2.89Å; L549-L558 HydrophobicContact CD2-CD2 3.93Å; L549-Y565 HydrophobicContact CD2-CD1 3.89Å; L549-Y565 HydrophobicContact CD2-CE1 3.64Å |
| 550 | R | 86.2 | Confident | 90.6 | Very high | 181 Ų | 181 | 68.5 Ų | 68.5 | 68% | 0.683 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.2 | -24.6 | -170.3 | -59.6 | -174.7 | -176.7 | -173.9 | 6 | 113.7 | S547 | S547-R550 PolarHBondContact O-N 2.83Š|
| 551 | E | 82.9 | Confident | 90.1 | Very high | 108 Ų | 108 | 69 Ų | 69 | 51% | 0.505 | 33% | 0.331 | S | S | . | . | trans | -133.5 | 119.7 | -168.8 | -62.7 | 171.4 | 163.3 | 0 | 0 | 110.9 | Q546 S547 G553 | Q546-E551 PolarHBondContact NE2-O 2.67Å; Q546-E551 VanDerWaalsContact NE2-O 3.13Å; S547-E551 PolarHBondContact N-OE2 2.81Å; S547-E551 VanDerWaalsContact N-OE2 3.16Å; S547-E551 PolarHBondContact O-N 3.44Å; E551-G553 PolarHBondContact O-N 2.86Å; E551-G553 VanDerWaalsContact O-N 3.16Å | ||
| 552 | Q | 82.6 | Confident | 89.5 | Confident | 144 Ų | 144 | 71.7 Ų | 71.7 | 67% | 0.673 | 34% | 0.34 | S | S | * | . | trans | -71.3 | 106.4 | 161 | -157.6 | 74 | -0.8 | 0 | 0 | 107.6 | ||||
| 553 | G | 82.1 | Confident | 88.7 | Confident | 24 Ų | 24 | 70 Ų | 70 | 25% | 0.247 | 33% | 0.332 | C | S | . | . | trans | -121.9 | -175 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q546 E551 | Q546-G553 VanDerWaalsContact NE2-N 3.12Å; Q546-G553 VanDerWaalsContact OE1-C 3.28Å; E551-G553 PolarHBondContact O-N 2.86Å; E551-G553 VanDerWaalsContact O-N 3.16Å | ||
| 554 | H | 86.8 | Confident | 88.5 | Confident | 118 Ų | 118 | 64.3 Ų | 64.3 | 55% | 0.546 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -96.1 | -0.3 | -171.8 | 64.5 | -87.2 | 0 | 0 | 0 | 114.1 | K544 | K544-H554 WeakPolarHBondContact CD-NE2 3.29Š|
| 555 | L | 92.3 | Very high | 88.4 | Confident | 10 Ų | 10 | 60 Ų | 60 | 5% | 0.052 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -95.3 | -39.5 | 177.9 | -57.7 | -179.6 | 0 | 0 | 0 | 111.5 | L538 K544 Q546 L570 W578 | L538-L555 HydrophobicContact CD2-CB 4.33Å; K544-L555 HydrophobicContact CB-CD1 4.25Å; K544-L555 HydrophobicContact CB-CD2 4.36Å; K544-L555 WeakPolarHBondContact O-CD1 3.41Å; Q546-L555 HydrophobicContact CB-CB 4.43Å; Q546-L555 HydrophobicContact CB-CD1 3.99Å; Q546-L555 HydrophobicContact CB-CG 4.39Å; L555-L570 PolarHBondContact O-N 2.62Å; L555-W578 HydrophobicContact CB-CZ3 4.39Å |
| 556 | A | 94.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 154.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | L538 Q546 I548 I567 K568 L569 | L538-A556 HydrophobicContact CD2-CB 3.84Å; Q546-A556 PolarHBondContact NE2-O 3Å; Q546-A556 VanDerWaalsContact OE1-N 3.17Å; I548-A556 HydrophobicContact CD1-CB 4.06Å; A556-I567 HydrophobicContact CB-CG2 3.56Å; A556-K568 CarbonylContact C-O 3.6Å; A556-K568 WeakPolarHBondContact CA-O 3.43Å; A556-K568 WeakPolarHBondContact CB-O 3.32Å; A556-L569 HydrophobicContact CB-CD2 3.86Å |
| 557 | E | 94.3 | Very high | 88.5 | Confident | 80 Ų | 80 | 53.8 Ų | 53.8 | 37% | 0.374 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 138.8 | 168.5 | 176.6 | 165.5 | -135.8 | 0 | 0 | 109.5 | I567 K568 L570 | E557-I567 CarbonylContact O-C 3.56Å; E557-I567 WeakPolarHBondContact O-CA 3.12Å; E557-K568 PolarHBondContact N-O 3.44Å; E557-K568 PolarHBondContact O-N 2.87Å; E557-L570 HydrophobicContact CB-CD2 4.18Å; E557-L570 HydrophobicContact CB-CG 4.47Å |
| 558 | L | 92.9 | Very high | 88.5 | Confident | 37 Ų | 37 | 56.8 Ų | 56.8 | 19% | 0.194 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 129.1 | 176.5 | 173.3 | 67.8 | 0 | 0 | 0 | 110.6 | I548 L549 H560 Y565 I567 | I548-L558 HydrophobicContact CG2-CB 3.94Å; I548-L558 HydrophobicContact CG2-CD1 4.05Å; I548-L558 HydrophobicContact CG2-CD2 4.08Å; I548-L558 HydrophobicContact CG2-CG 4.23Å; I548-L558 WeakPolarHBondContact O-CD2 3.47Å; L549-L558 HydrophobicContact CD2-CD2 3.93Å; L558-H560 HydrophobicContact CD2-CB 4.22Å; L558-H560 HydrophobicContact CG-CB 4.29Å; L558-Y565 HydrophobicContact CD1-CD1 4.15Å; L558-I567 HydrophobicContact CD1-CG1 3.77Å |
| 559 | E | 90.3 | Very high | 88.7 | Confident | 65 Ų | 65 | 56.9 Ų | 56.9 | 30% | 0.304 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 125 | 156.9 | -67.5 | 170.9 | -167.2 | 0 | 0 | 108.6 | F561 R566 | E559-F561 HydrophobicContact CB-CE2 3.75Å; E559-F561 HydrophobicContact CB-CZ 3.67Å; E559-R566 HydrophobicContact CB-CB 4.28Å; E559-R566 PolarHBondContact N-O 3.38Å; E559-R566 PolarHBondContact O-N 2.91Å; E559-R566 IonicContact OE1-NH1 3.33Å; E559-R566 PolarHBondContact OE1-NH1 2.86Å; E559-R566 WeakPolarHBondContact OE2-CD 3.27Å; E559-R566 IonicContact OE2-CZ 2.68Å; E559-R566 IonicContact OE2-NE 2.8Å; E559-R566 IonicContact OE2-NH1 3.47Å; E559-R566 PolarHBondContact OE2-NH1 3.01Å |
| 560 | H | 87.5 | Confident | 89 | Confident | 114 Ų | 114 | 56.9 Ų | 56.9 | 53% | 0.528 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 130.7 | -176.7 | 168.5 | -129.5 | 0 | 0 | 0 | 110.5 | L558 Y565 | L558-H560 HydrophobicContact CD2-CB 4.22Å; L558-H560 HydrophobicContact CG-CB 4.29Å; H560-Y565 HydrophobicContact CB-CD1 4.35Å; H560-Y565 AromaticContact CD2-CD1 3.54Å; H560-Y565 AromaticContact CD2-CE1 3.1Å; H560-Y565 WeakPolarHBondContact CD2-CE1 3.37Å; H560-Y565 AromaticContact CD2-CZ 3.55Å; H560-Y565 AromaticContact CG-CE1 3.91Å; H560-Y565 AromaticContact NE2-CE1 3.55Å; H560-Y565 AromaticContact NE2-CZ 3.63Å |
| 561 | F | 85 | Confident | 89.1 | Confident | 13 Ų | 13 | 53.7 Ų | 53.7 | 6% | 0.057 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 162.2 | 177.7 | -44.9 | -74.9 | 0 | 0 | 0 | 108.7 | K485 V486 E559 G563 F564 R566 | K485-F561 HydrophobicContact CB-CD1 3.98Å; K485-F561 HydrophobicContact CB-CE1 3.29Å; K485-F561 HydrophobicContact CB-CZ 3.87Å; K485-F561 HydrophobicContact CD-CD1 4.21Å; K485-F561 HydrophobicContact CD-CE1 3.71Å; K485-F561 HydrophobicContact CG-CE1 4.16Å; V486-F561 HydrophobicContact CG2-CB 3.53Å; V486-F561 HydrophobicContact CG2-CD1 3.93Å; V486-F561 HydrophobicContact CG2-CD2 3.86Å; V486-F561 HydrophobicContact CG2-CG 3.47Å; V486-F561 VanDerWaalsContact CG2-CG 3.47Å; E559-F561 HydrophobicContact CB-CE2 3.75Å; E559-F561 HydrophobicContact CB-CZ 3.67Å; F561-G563 PolarHBondContact O-N 3.02Å; F561-F564 HydrophobicContact CB-CB 4.46Å; F561-F564 AromaticContact CD2-CD1 3.6Å; F561-F564 HydrophobicContact CD2-CD1 3.6Å; F561-F564 HydrophobicContact CD2-CE1 4.21Å; F561-F564 HydrophobicContact CE2-CD1 4.21Å; F561-F564 HydrophobicContact CE2-CE1 4.37Å; F561-F564 PolarHBondContact N-O 2.79Å; F561-F564 PolarHBondContact O-N 3.42Å; F561-F564 VanDerWaalsContact O-N 3.13Å; F561-R566 HydrophobicContact CE2-CB 4.38Å |
| 562 | Q | 80.5 | Confident | 89.3 | Confident | 99 Ų | 99 | 54.6 Ų | 54.6 | 46% | 0.463 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 119.4 | 176.8 | -178.8 | 169.5 | -3.8 | 0 | 0 | 110.4 | F477 F564 | F477-Q562 VanDerWaalsContact O-O 3.05Å; Q562-F564 PolarHBondContact O-N 3.42Å |
| 563 | G | 77.7 | Confident | 89.7 | Confident | 21 Ų | 21 | 49.9 Ų | 49.9 | 22% | 0.216 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 2.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | T530 G531 F561 | T530-G563 WeakPolarHBondContact CA-O 3.49Å; G531-G563 PolarHBondContact N-O 2.96Å; G531-G563 CarbonylContact O-C 3.47Å; G531-G563 WeakPolarHBondContact O-CA 3.42Å; F561-G563 PolarHBondContact O-N 3.02Å |
| 564 | F | 88.9 | Confident | 90.1 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 130.2 | -174.7 | -179.3 | -121.5 | 0 | 0 | 0 | 113.1 | V476 V486 I489 H528 T530 F561 Q562 R566 | V476-F564 HydrophobicContact CG1-CB 3.86Å; V476-F564 HydrophobicContact CG1-CD1 4.2Å; V476-F564 HydrophobicContact CG1-CD2 4.09Å; V476-F564 HydrophobicContact CG1-CG 3.79Å; V476-F564 HydrophobicContact CG2-CD2 4.45Å; V486-F564 HydrophobicContact CG1-CD1 3.93Å; V486-F564 HydrophobicContact CG1-CE1 4.35Å; V486-F564 HydrophobicContact CG2-CD1 4.31Å; I489-F564 HydrophobicContact CD1-CE1 4.34Å; I489-F564 HydrophobicContact CD1-CE2 3.87Å; I489-F564 HydrophobicContact CD1-CZ 3.56Å; I489-F564 HydrophobicContact CG1-CZ 4.16Å; H528-F564 HydrophobicContact CB-CE2 3.95Å; H528-F564 HydrophobicContact CB-CZ 4.38Å; H528-F564 AromaticContact CD2-CZ 3.66Å; T530-F564 HydrophobicContact CG2-CD2 4.02Å; F561-F564 HydrophobicContact CB-CB 4.46Å; F561-F564 AromaticContact CD2-CD1 3.6Å; F561-F564 HydrophobicContact CD2-CD1 3.6Å; F561-F564 HydrophobicContact CD2-CE1 4.21Å; F561-F564 HydrophobicContact CE2-CD1 4.21Å; F561-F564 HydrophobicContact CE2-CE1 4.37Å; F561-F564 PolarHBondContact N-O 2.79Å; F561-F564 PolarHBondContact O-N 3.42Å; F561-F564 VanDerWaalsContact O-N 3.13Å; Q562-F564 PolarHBondContact O-N 3.42Å; F564-R566 HydrophobicContact CE1-CB 4.08Å; F564-R566 HydrophobicContact CZ-CB 4.21Å |
| 565 | Y | 91.5 | Very high | 90.3 | Very high | 16 Ų | 16 | 48.2 Ų | 48.2 | 6% | 0.063 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 126.2 | 178.5 | -56.1 | -102.8 | 0 | 0 | 0 | 109.2 | I529 G531 M533 L549 L558 H560 | I529-Y565 PolarHBondContact N-O 3.47Å; I529-Y565 PolarHBondContact O-N 3.08Å; G531-Y565 WeakPolarHBondContact O-CE2 3.23Å; M533-Y565 HydrophobicContact CE-CD1 4.34Å; M533-Y565 HydrophobicContact CE-CD2 3.61Å; M533-Y565 HydrophobicContact CE-CE2 4.04Å; M533-Y565 HydrophobicContact CE-CG 3.79Å; M533-Y565 HydrophobicContact CG-CD1 4.1Å; M533-Y565 HydrophobicContact CG-CD2 4.08Å; M533-Y565 HydrophobicContact CG-CE1 3.62Å; M533-Y565 HydrophobicContact CG-CE2 3.62Å; M533-Y565 HydrophobicContact CG-CG 4.32Å; M533-Y565 PolarHBondContact N-OH 2.94Å; M533-Y565 HydrophobicContact SD-CD1 3.91Å; M533-Y565 HydrophobicContact SD-CD2 4.17Å; M533-Y565 HydrophobicContact SD-CE1 4.04Å; M533-Y565 HydrophobicContact SD-CE2 4.3Å; M533-Y565 HydrophobicContact SD-CG 3.99Å; L549-Y565 HydrophobicContact CD2-CD1 3.89Å; L549-Y565 HydrophobicContact CD2-CE1 3.64Å; L558-Y565 HydrophobicContact CD1-CD1 4.15Å; H560-Y565 HydrophobicContact CB-CD1 4.35Å; H560-Y565 AromaticContact CD2-CD1 3.54Å; H560-Y565 AromaticContact CD2-CE1 3.1Å; H560-Y565 WeakPolarHBondContact CD2-CE1 3.37Å; H560-Y565 AromaticContact CD2-CZ 3.55Å; H560-Y565 AromaticContact CG-CE1 3.91Å; H560-Y565 AromaticContact NE2-CE1 3.55Å; H560-Y565 AromaticContact NE2-CZ 3.63Å |
| 566 | R | 93.7 | Very high | 90.3 | Very high | 22 Ų | 22 | 48.6 Ų | 48.6 | 8% | 0.083 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 110.7 | 177 | 176.2 | 176.7 | 179.1 | -98.2 | 2 | 108.3 | D492 I526 E559 F561 F564 | D492-R566 IonicContact OD1-CZ 3.36Å; D492-R566 IonicContact OD1-NE 2.66Å; D492-R566 PolarHBondContact OD1-NE 3.24Å; D492-R566 IonicContact OD1-NH2 2.67Å; D492-R566 PolarHBondContact OD1-NH2 2.82Å; D492-R566 WeakPolarHBondContact OD2-CD 3.42Å; D492-R566 IonicContact OD2-CZ 2.72Å; D492-R566 IonicContact OD2-NE 2.72Å; D492-R566 PolarHBondContact OD2-NE 2.73Å; D492-R566 IonicContact OD2-NH2 3.67Å; I526-R566 HydrophobicContact CG2-CG 4.05Å; E559-R566 HydrophobicContact CB-CB 4.28Å; E559-R566 PolarHBondContact N-O 3.38Å; E559-R566 PolarHBondContact O-N 2.91Å; E559-R566 IonicContact OE1-NH1 3.33Å; E559-R566 PolarHBondContact OE1-NH1 2.86Å; E559-R566 WeakPolarHBondContact OE2-CD 3.27Å; E559-R566 IonicContact OE2-CZ 2.68Å; E559-R566 IonicContact OE2-NE 2.8Å; E559-R566 IonicContact OE2-NH1 3.47Å; E559-R566 PolarHBondContact OE2-NH1 3.01Å; F561-R566 HydrophobicContact CE2-CB 4.38Å; F564-R566 HydrophobicContact CE1-CB 4.08Å; F564-R566 HydrophobicContact CZ-CB 4.21Å |
| 567 | I | 94.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 114.9 | -176.3 | -55 | 164.5 | 0 | 0 | 0 | 108.4 | I526 L527 I529 I548 A556 E557 L558 | I526-I567 WeakPolarHBondContact CA-O 3.41Å; L527-I567 HydrophobicContact CB-CB 4.2Å; L527-I567 HydrophobicContact CD1-CG2 4.5Å; L527-I567 PolarHBondContact N-O 2.67Å; L527-I567 PolarHBondContact O-N 3Å; I529-I567 HydrophobicContact CD1-CD1 3.71Å; I548-I567 HydrophobicContact CD1-CG2 4.38Å; I548-I567 HydrophobicContact CG2-CD1 3.84Å; I548-I567 HydrophobicContact CG2-CG1 3.94Å; I548-I567 HydrophobicContact CG2-CG2 4.44Å; A556-I567 HydrophobicContact CB-CG2 3.56Å; E557-I567 CarbonylContact O-C 3.56Å; E557-I567 WeakPolarHBondContact O-CA 3.12Å; L558-I567 HydrophobicContact CD1-CG1 3.77Å |
| 568 | K | 94.9 | Very high | 90.2 | Very high | 80 Ų | 80 | 49.1 Ų | 49.1 | 35% | 0.348 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 124.5 | -179.4 | -176.1 | 176.8 | 180 | -177.8 | 0 | 110.1 | I526 A556 E557 | I526-K568 HydrophobicContact CG1-CG 4.41Å; A556-K568 CarbonylContact C-O 3.6Å; A556-K568 WeakPolarHBondContact CA-O 3.43Å; A556-K568 WeakPolarHBondContact CB-O 3.32Å; E557-K568 PolarHBondContact N-O 3.44Å; E557-K568 PolarHBondContact O-N 2.87Å |
| 569 | L | 95.4 | Very high | 90.3 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 136.4 | 177.5 | -58.2 | -164.7 | 0 | 0 | 0 | 110.7 | I525 L527 L538 A556 V573 W578 | I525-L569 HydrophobicContact CB-CB 4.19Å; I525-L569 HydrophobicContact CB-CD1 3.8Å; I525-L569 HydrophobicContact CB-CG 3.92Å; I525-L569 HydrophobicContact CG1-CD1 4.36Å; I525-L569 HydrophobicContact CG2-CD1 3.68Å; I525-L569 HydrophobicContact CG2-CG 3.91Å; I525-L569 PolarHBondContact O-N 3.1Å; L527-L569 HydrophobicContact CD1-CD2 3.8Å; L527-L569 HydrophobicContact CD1-CG 4.01Å; L538-L569 HydrophobicContact CD2-CD2 3.52Å; A556-L569 HydrophobicContact CB-CD2 3.86Å; L569-V573 HydrophobicContact CB-CG2 3.96Å; L569-V573 HydrophobicContact CD1-CG1 4.03Å; L569-W578 HydrophobicContact CD1-CD2 4.24Å; L569-W578 HydrophobicContact CD1-CE3 4.35Å; L569-W578 HydrophobicContact CD1-CH2 4.23Å; L569-W578 HydrophobicContact CD1-CZ2 4.12Å; L569-W578 HydrophobicContact CD1-CZ3 4.34Å; L569-W578 HydrophobicContact CD2-CZ3 4.45Å |
| 570 | L | 93.7 | Very high | 90.5 | Very high | 55 Ų | 55 | 48.7 Ų | 48.7 | 29% | 0.288 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -91.5 | 138.8 | -177.4 | -65.8 | 174.9 | 0 | 0 | 0 | 111.4 | L555 E557 | L555-L570 PolarHBondContact O-N 2.62Å; E557-L570 HydrophobicContact CB-CD2 4.18Å; E557-L570 HydrophobicContact CB-CG 4.47Å |
| 571 | P | 88.5 | Confident | 90.7 | Very high | 115 Ų | 115 | 45.4 Ų | 45.4 | 75% | 0.747 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -71.9 | 147.6 | 176.8 | 29.4 | -34.1 | 0 | 0 | 0 | 112 | ||
| 572 | P | 88.5 | Confident | 91 | Very high | 126 Ų | 126 | 44.9 Ų | 44.9 | 82% | 0.818 | 25% | 0.249 | S | C | * | . | S | Bend | cis | -80.4 | 119.6 | 0.2 | 31.3 | -33.5 | 0 | 0 | 0 | 112.5 | Q574 | P572-Q574 PolarHBondContact O-N 2.92Š|
| 573 | V | 90.4 | Very high | 91.5 | Very high | 46 Ų | 46 | 43.9 Ų | 43.9 | 28% | 0.279 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -73.2 | 126.7 | 178.3 | -175.8 | 0 | 0 | 0 | 0 | 109.5 | V518 I525 L569 W578 | V518-V573 HydrophobicContact CG1-CG1 4.18Å; I525-V573 HydrophobicContact CD1-CB 4.38Å; I525-V573 HydrophobicContact CD1-CG1 3.94Å; I525-V573 HydrophobicContact CD1-CG2 4.32Å; L569-V573 HydrophobicContact CB-CG2 3.96Å; L569-V573 HydrophobicContact CD1-CG1 4.03Å; V573-W578 HydrophobicContact CG1-CZ2 3.89Å |
| 574 | Q | 90.3 | Very high | 91.9 | Very high | 66 Ų | 66 | 43 Ų | 43 | 31% | 0.308 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -77.5 | 124.1 | 178.7 | -65 | 179.4 | 1.5 | 0 | 0 | 110.9 | P541 S542 P572 W578 | P541-Q574 HydrophobicContact CG-CB 4.05Å; S542-Q574 VanDerWaalsContact CB-OE1 3.3Å; S542-Q574 VanDerWaalsContact OG-CD 3.29Å; S542-Q574 PolarHBondContact OG-NE2 2.91Å; S542-Q574 PolarHBondContact OG-OE1 3.06Å; P572-Q574 PolarHBondContact O-N 2.92Å; Q574-W578 HydrophobicContact CB-CZ2 4.27Å; Q574-W578 PolarHBondContact O-NE1 3.38Å |
| 575 | A | 90.8 | Very high | 91.4 | Very high | 41 Ų | 41 | 48 Ų | 48 | 34% | 0.339 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 130.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | V518 K700 | V518-A575 CarbonylContact O-C 3.59Å; V518-A575 WeakPolarHBondContact O-CA 3.37Å; A575-K700 VanDerWaalsContact CB-NZ 3.33Å |
| 576 | G | 91.5 | Very high | 90.9 | Very high | 18 Ų | 18 | 51.1 Ų | 51.1 | 19% | 0.186 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 152.4 | -165.9 | -174 | 0 | 0 | 0 | 0 | 0 | 111.8 | R517 V518 | R517-G576 WeakPolarHBondContact CA-O 3.15Å; V518-G576 PolarHBondContact N-O 3.28Å; V518-G576 PolarHBondContact O-N 2.82Å |
| 577 | Q | 93.3 | Very high | 90.3 | Very high | 86 Ų | 86 | 54.3 Ų | 54.3 | 40% | 0.402 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 120.1 | 176.6 | -171.3 | 170.8 | 4.7 | 0 | 0 | 109.8 | S515 | S515-Q577 PolarHBondContact OG-NE2 3.35Å |
| 578 | W | 95.1 | Very high | 90 | Very high | 5 Ų | 5 | 54.3 Ų | 54.3 | 2% | 0.019 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 149.2 | 172.5 | -71.1 | 74.8 | 0 | 0 | 0 | 109.3 | S515 F516 V518 L538 P541 L555 L569 V573 Q574 | S515-W578 WeakPolarHBondContact CA-O 3.21Å; S515-W578 WeakPolarHBondContact CB-O 3.36Å; F516-W578 HydrophobicContact CD1-CB 4.2Å; F516-W578 HydrophobicContact CD2-CB 4.16Å; F516-W578 HydrophobicContact CE1-CB 3.75Å; F516-W578 HydrophobicContact CE2-CB 3.71Å; F516-W578 AromaticContact CE2-CG 3.97Å; F516-W578 HydrophobicContact CE2-CG 3.97Å; F516-W578 HydrophobicContact CG-CB 4.39Å; F516-W578 HydrophobicContact CZ-CB 3.48Å; F516-W578 VanDerWaalsContact CZ-CB 3.48Å; F516-W578 AromaticContact CZ-CG 3.99Å; F516-W578 HydrophobicContact CZ-CG 3.99Å; F516-W578 PolarHBondContact N-O 3.34Å; F516-W578 VanDerWaalsContact N-O 3.08Å; F516-W578 PolarHBondContact O-N 3.47Å; V518-W578 HydrophobicContact CG2-CG 4.45Å; L538-W578 HydrophobicContact CD1-CE3 3.95Å; L538-W578 HydrophobicContact CD2-CE3 4.08Å; L538-W578 HydrophobicContact CD2-CZ3 3.81Å; L538-W578 HydrophobicContact CG-CE3 3.94Å; L538-W578 HydrophobicContact CG-CZ3 4.05Å; P541-W578 VanDerWaalsContact CD-CE2 3.44Å; P541-W578 HydrophobicContact CG-CG 4.35Å; L555-W578 HydrophobicContact CB-CZ3 4.39Å; L569-W578 HydrophobicContact CD1-CD2 4.24Å; L569-W578 HydrophobicContact CD1-CE3 4.35Å; L569-W578 HydrophobicContact CD1-CH2 4.23Å; L569-W578 HydrophobicContact CD1-CZ2 4.12Å; L569-W578 HydrophobicContact CD1-CZ3 4.34Å; L569-W578 HydrophobicContact CD2-CZ3 4.45Å; V573-W578 HydrophobicContact CG1-CZ2 3.89Å; Q574-W578 HydrophobicContact CB-CZ2 4.27Å; Q574-W578 PolarHBondContact O-NE1 3.38Å |
| 579 | K | 95 | Very high | 89.7 | Confident | 87 Ų | 87 | 51.9 Ų | 51.9 | 38% | 0.378 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 134 | 175.1 | -59.6 | 170.9 | -175.8 | 163.4 | 0 | 109.7 | H514 T539 | H514-K579 WeakPolarHBondContact O-CA 3.22Å; T539-K579 PolarHBondContact N-O 3.09Å; T539-K579 PolarHBondContact O-N 2.88Å |
| 580 | L | 93.2 | Very high | 89.5 | Confident | 5 Ų | 5 | 51.6 Ų | 51.6 | 3% | 0.026 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 129.2 | 175 | -174.2 | 74.8 | 0 | 0 | 0 | 108.2 | V513 H514 L527 I529 L538 F590 | V513-L580 WeakPolarHBondContact CA-O 3.42Å; H514-L580 PolarHBondContact N-O 2.83Å; H514-L580 PolarHBondContact O-N 2.84Å; L527-L580 HydrophobicContact CD2-CD1 4.13Å; L527-L580 HydrophobicContact CD2-CD2 4.2Å; I529-L580 HydrophobicContact CD1-CD2 4Å; L538-L580 HydrophobicContact CD1-CD1 4.1Å; L580-F590 HydrophobicContact CD2-CD1 3.4Å; L580-F590 HydrophobicContact CD2-CE1 3.55Å; L580-F590 HydrophobicContact CD2-CG 4.44Å |
| 581 | Q | 92.1 | Very high | 89.4 | Confident | 46 Ų | 46 | 49.2 Ų | 49.2 | 22% | 0.215 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 125 | 174.7 | -55.4 | -179.1 | -21.2 | 0 | 0 | 108 | M511 S512 V513 C536 I537 | M511-Q581 HydrophobicContact CE-CB 3.84Å; S512-Q581 CarbonylContact O-C 3.58Å; S512-Q581 VanDerWaalsContact O-CA 3.26Å; S512-Q581 WeakPolarHBondContact O-CA 3.49Å; V513-Q581 HydrophobicContact CG1-CG 4.26Å; V513-Q581 HydrophobicContact CG2-CG 4.15Å; C536-Q581 CarbonylContact C-O 3.55Å; C536-Q581 VanDerWaalsContact CA-O 3.31Å; C536-Q581 WeakPolarHBondContact CA-O 3.45Å; I537-Q581 HydrophobicContact CB-CB 4.31Å; I537-Q581 PolarHBondContact N-O 2.81Å; I537-Q581 PolarHBondContact O-N 2.91Å |
| 582 | A | 91.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 144.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S512 E535 L588 F590 | S512-A582 PolarHBondContact N-O 2.79Å; S512-A582 PolarHBondContact O-N 3.35Å; S512-A582 PolarHBondContact OG-O 2.96Å; E535-A582 CarbonylContact O-C 3.44Å; E535-A582 VanDerWaalsContact O-CA 3.26Å; E535-A582 WeakPolarHBondContact O-CA 3.3Å; A582-L588 HydrophobicContact CB-CD1 3.86Å; A582-F590 HydrophobicContact CB-CE1 3.98Å; A582-F590 HydrophobicContact CB-CZ 3.94Å |
| 583 | K | 89.8 | Confident | 90 | Very high | 79 Ų | 79 | 38 Ų | 38 | 34% | 0.343 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 133.4 | 176.4 | -158.6 | -177.2 | 174.9 | -171 | 0 | 110.8 | M511 M533 T534 E535 | M511-K583 HydrophobicContact SD-CB 3.6Å; M511-K583 HydrophobicContact SD-CD 4.28Å; M511-K583 HydrophobicContact SD-CG 3.99Å; M533-K583 CarbonylContact C-O 3.58Å; M533-K583 VanDerWaalsContact CA-O 3.29Å; M533-K583 WeakPolarHBondContact CA-O 3.47Å; M533-K583 WeakPolarHBondContact CB-O 3.41Å; T534-K583 PolarHBondContact N-O 2.87Å; T534-K583 PolarHBondContact OG1-O 2.66Å; E535-K583 HydrophobicContact CB-CB 3.99Å; E535-K583 PolarHBondContact O-N 2.9Å |
| 584 | S | 86.9 | Confident | 90.2 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | trans | -143 | 152.5 | 175 | -172.8 | 0 | 0 | 0 | 0 | 110.8 | E509 T532 D586 | E509-S584 PolarHBondContact N-O 3.46Å; T532-S584 WeakPolarHBondContact O-CB 3.13Å; T532-S584 PolarHBondContact O-OG 3.44Å; S584-D586 WeakPolarHBondContact CB-O 3.23Å; S584-D586 WeakPolarHBondContact OG-CA 3.06Å; S584-D586 PolarHBondContact OG-N 3.04Å; S584-D586 PolarHBondContact OG-O 2.86Å | ||
| 585 | D | 79.3 | Confident | 90.2 | Very high | 104 Ų | 104 | 34.5 Ų | 34.5 | 56% | 0.556 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -94.6 | -5.1 | 167.2 | -52.4 | -33 | 0 | 0 | 0 | 110.7 | ||
| 586 | D | 79.4 | Confident | 90 | Very high | 81 Ų | 81 | 32.7 Ų | 32.7 | 43% | 0.433 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -113.3 | -179.4 | 174.2 | -68.2 | -50.4 | 0 | 0 | 0 | 110.6 | T532 S584 | T532-D586 PolarHBondContact OG1-OD2 3.17Å; S584-D586 WeakPolarHBondContact CB-O 3.23Å; S584-D586 WeakPolarHBondContact OG-CA 3.06Å; S584-D586 PolarHBondContact OG-N 3.04Å; S584-D586 PolarHBondContact OG-O 2.86Å |
| 587 | H | 83 | Confident | 89.6 | Confident | 89 Ų | 89 | 34 Ų | 34 | 41% | 0.412 | 17% | 0.171 | S | C | . | . | trans | -78.5 | 132.6 | 166.7 | -61.5 | 92.5 | 0 | 0 | 0 | 110.7 | K505 S506 D507 | K505-H587 WeakPolarHBondContact CE-CD2 3.42Å; K505-H587 PolarHBondContact NZ-CD2 3.12Å; K505-H587 PolarHBondContact NZ-NE2 3.47Å; K505-H587 VanDerWaalsContact NZ-NE2 3.12Å; S506-H587 WeakPolarHBondContact O-CA 3.46Å; D507-H587 IonicContact OD1-CD2 2.97Å; D507-H587 IonicContact OD1-NE2 2.69Å | ||
| 588 | L | 87.4 | Confident | 89.2 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 145.4 | 169 | -61.7 | 178.1 | 0 | 0 | 0 | 110.6 | K505 S506 I529 T530 T532 M533 A582 F590 | K505-L588 CarbonylContact C-O 3.58Å; K505-L588 WeakPolarHBondContact CA-O 3.37Å; S506-L588 PolarHBondContact N-O 3.39Å; S506-L588 PolarHBondContact O-N 3.22Å; I529-L588 HydrophobicContact CG2-CB 4.38Å; I529-L588 HydrophobicContact CG2-CD2 4.35Å; T530-L588 WeakPolarHBondContact O-CA 3.41Å; T532-L588 WeakPolarHBondContact O-CD2 3.42Å; M533-L588 HydrophobicContact CB-CD1 4.4Å; M533-L588 HydrophobicContact CB-CD2 4.49Å; A582-L588 HydrophobicContact CB-CD1 3.86Å; L588-F590 HydrophobicContact CB-CD2 4.37Å; L588-F590 HydrophobicContact CB-CE1 4.48Å; L588-F590 HydrophobicContact CB-CE2 3.62Å; L588-F590 HydrophobicContact CB-CZ 3.69Å; L588-F590 HydrophobicContact CD1-CE1 4.15Å; L588-F590 HydrophobicContact CD1-CE2 4.26Å; L588-F590 HydrophobicContact CD1-CZ 3.51Å; L588-F590 HydrophobicContact CG-CZ 4.26Å |
| 589 | T | 88.8 | Confident | 88.8 | Confident | 29 Ų | 29 | 30.8 Ų | 30.8 | 18% | 0.178 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 125.2 | 163.4 | -55.9 | 0 | 0 | 0 | 0 | 109.3 | I529 T530 | I529-T589 WeakPolarHBondContact CA-O 3.37Å; T530-T589 PolarHBondContact N-O 3.28Å; T530-T589 PolarHBondContact O-N 2.95Å; T530-T589 VanDerWaalsContact O-N 3.13Å; T530-T589 WeakPolarHBondContact OG1-CB 3.16Å |
| 590 | F | 90.2 | Very high | 88.5 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 0% | 0.004 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 131.9 | 179.1 | -55 | -91.4 | 0 | 0 | 0 | 109.4 | F502 R503 A504 H514 I529 L580 A582 L588 | F502-F590 HydrophobicContact CE1-CB 4.25Å; R503-F590 VanDerWaalsContact CA-O 3.27Å; R503-F590 WeakPolarHBondContact CA-O 3.24Å; A504-F590 PolarHBondContact N-O 2.91Å; A504-F590 PolarHBondContact O-N 3.37Å; H514-F590 AromaticContact CD2-CD2 3.61Å; H514-F590 AromaticContact CD2-CE2 3.47Å; H514-F590 VanDerWaalsContact CD2-CE2 3.47Å; H514-F590 WeakPolarHBondContact CD2-CE2 3.27Å; H514-F590 AromaticContact CD2-CZ 3.95Å; H514-F590 AromaticContact NE2-CD2 3.66Å; H514-F590 AromaticContact NE2-CE2 3.41Å; H514-F590 WeakPolarHBondContact NE2-CE2 3.4Å; I529-F590 HydrophobicContact CB-CD1 4.39Å; I529-F590 HydrophobicContact CD1-CD1 3.8Å; I529-F590 HydrophobicContact CD1-CE1 3.94Å; I529-F590 HydrophobicContact CG1-CD1 3.81Å; I529-F590 HydrophobicContact CG1-CE1 4.32Å; I529-F590 HydrophobicContact CG2-CD1 3.74Å; I529-F590 HydrophobicContact CG2-CE1 3.78Å; I529-F590 HydrophobicContact CG2-CG 4.44Å; I529-F590 HydrophobicContact CG2-CZ 4.49Å; L580-F590 HydrophobicContact CD2-CD1 3.4Å; L580-F590 HydrophobicContact CD2-CE1 3.55Å; L580-F590 HydrophobicContact CD2-CG 4.44Å; A582-F590 HydrophobicContact CB-CE1 3.98Å; A582-F590 HydrophobicContact CB-CZ 3.94Å; L588-F590 HydrophobicContact CB-CD2 4.37Å; L588-F590 HydrophobicContact CB-CE1 4.48Å; L588-F590 HydrophobicContact CB-CE2 3.62Å; L588-F590 HydrophobicContact CB-CZ 3.69Å; L588-F590 HydrophobicContact CD1-CE1 4.15Å; L588-F590 HydrophobicContact CD1-CE2 4.26Å; L588-F590 HydrophobicContact CD1-CZ 3.51Å; L588-F590 HydrophobicContact CG-CZ 4.26Å |
| 591 | T | 93.1 | Very high | 88.3 | Confident | 6 Ų | 6 | 27.6 Ų | 27.6 | 4% | 0.037 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 128.3 | 167.4 | -59.3 | 0 | 0 | 0 | 0 | 108.6 | R503 L527 H528 I593 | R503-T591 PolarHBondContact NH1-OG1 2.95Å; L527-T591 WeakPolarHBondContact CA-O 3.37Å; H528-T591 PolarHBondContact N-O 2.89Å; H528-T591 PolarHBondContact O-N 3.19Å; T591-I593 HydrophobicContact CG2-CG2 4.09Å |
| 592 | V | 95 | Very high | 88.2 | Confident | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.018 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 121.1 | 178.4 | -172.5 | 0 | 0 | 0 | 0 | 108.9 | L501 F502 F516 I525 L527 | L501-V592 HydrophobicContact CB-CB 4.4Å; L501-V592 HydrophobicContact CB-CG1 4.22Å; L501-V592 HydrophobicContact CD1-CG1 4.17Å; L501-V592 PolarHBondContact N-O 3.27Å; F502-V592 HydrophobicContact CB-CB 4.1Å; F502-V592 HydrophobicContact CB-CG2 4.03Å; F502-V592 HydrophobicContact CD1-CG2 4.16Å; F502-V592 PolarHBondContact N-O 3.11Å; F502-V592 PolarHBondContact O-N 3.32Å; F516-V592 HydrophobicContact CD1-CG2 4.17Å; F516-V592 HydrophobicContact CD2-CG1 3.91Å; F516-V592 HydrophobicContact CE1-CG2 4.39Å; F516-V592 HydrophobicContact CE2-CG1 3.89Å; F516-V592 HydrophobicContact CG-CG1 4.28Å; F516-V592 HydrophobicContact CG-CG2 4.39Å; F516-V592 HydrophobicContact CZ-CG1 4.25Å; I525-V592 HydrophobicContact CG2-CG1 3.94Å; L527-V592 HydrophobicContact CB-CG2 4.44Å; L527-V592 HydrophobicContact CD2-CG2 4.32Å; L527-V592 HydrophobicContact CG-CG1 4.09Å; L527-V592 HydrophobicContact CG-CG2 3.95Å |
| 593 | I | 94.7 | Very high | 88.2 | Confident | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 159.8 | -178.6 | 61.3 | 175.2 | 0 | 0 | 0 | 111.2 | D492 V499 I525 I526 T591 | D492-I593 HydrophobicContact CB-CD1 4.23Å; D492-I593 WeakPolarHBondContact O-CD1 3.36Å; V499-I593 VanDerWaalsContact O-CA 3.27Å; V499-I593 WeakPolarHBondContact O-CA 3.1Å; I525-I593 WeakPolarHBondContact CA-O 3.41Å; I526-I593 HydrophobicContact CB-CG1 4.08Å; I526-I593 PolarHBondContact N-O 2.86Å; I526-I593 PolarHBondContact O-N 3.45Å; T591-I593 HydrophobicContact CG2-CG2 4.09Å |
| 594 | G | 93.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 176.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | K498 V499 | K498-G594 WeakPolarHBondContact CA-O 3.17Å; V499-G594 WeakPolarHBondContact CG2-O 3.42Å; V499-G594 PolarHBondContact N-O 3.23Å; V499-G594 PolarHBondContact O-N 3.19Å; V499-G594 VanDerWaalsContact O-N 3.1Å |
| 595 | D | 90.6 | Very high | 88.5 | Confident | 38 Ų | 38 | 23.5 Ų | 23.5 | 20% | 0.203 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 118.3 | 176.6 | -62.4 | -4 | 0 | 0 | 0 | 108.7 | D497 K498 V522 E523 N524 | D497-D595 CarbonylContact O-C 3.42Å; K498-D595 WeakPolarHBondContact CD-OD1 3.46Å; K498-D595 WeakPolarHBondContact CE-OD1 3.36Å; K498-D595 IonicContact NZ-OD1 2.86Å; K498-D595 PolarHBondContact NZ-OD1 2.67Å; V522-D595 CarbonylContact C-O 3.55Å; V522-D595 WeakPolarHBondContact CA-O 3.35Å; E523-D595 HydrophobicContact CB-CB 4.48Å; E523-D595 PolarHBondContact N-O 3.44Å; E523-D595 PolarHBondContact O-N 3.49Å; N524-D595 WeakPolarHBondContact CB-OD2 3.11Å; N524-D595 PolarHBondContact ND2-OD2 3.05Å |
| 596 | S | 87.6 | Confident | 89 | Confident | 4 Ų | 4 | 21.5 Ų | 21.5 | 3% | 0.028 | 12% | 0.116 | C | C | . | . | trans | -158.7 | 129.2 | 175.3 | -172.2 | 0 | 0 | 0 | 0 | 111.3 | D497 V499 S521 V598 R704 | D497-S596 CarbonylContact O-C 3.59Å; D497-S596 PolarHBondContact O-N 3.39Å; D497-S596 VanDerWaalsContact O-O 3.08Å; V499-S596 WeakPolarHBondContact CG1-O 3.45Å; S521-S596 WeakPolarHBondContact O-CA 3.37Å; S521-S596 VanDerWaalsContact O-CB 3.25Å; S521-S596 WeakPolarHBondContact O-CB 3.44Å; S521-S596 PolarHBondContact O-OG 2.7Å; S521-S596 PolarHBondContact OG-OG 3.35Å; S596-V598 PolarHBondContact O-N 2.96Å; S596-V598 PolarHBondContact OG-N 2.83Å; S596-R704 PolarHBondContact OG-NH2 3.06Å | ||
| 597 | S | 81.4 | Confident | 89.2 | Confident | 44 Ų | 44 | 20.5 Ų | 20.5 | 31% | 0.308 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -67.2 | -19.1 | 173.2 | 55.6 | 0 | 0 | 0 | 0 | 112.9 | G636 | S597-G636 VanDerWaalsContact O-CA 3.26Å; S597-G636 WeakPolarHBondContact O-CA 3.39Å |
| 598 | V | 85.1 | Confident | 88.7 | Confident | 13 Ų | 13 | 17.3 Ų | 17.3 | 8% | 0.079 | 10% | 0.1 | C | C | . | . | trans | -86.3 | 116 | 178.3 | -177.3 | 0 | 0 | 0 | 0 | 109.9 | S596 V634 T635 L702 R704 | S596-V598 PolarHBondContact O-N 2.96Å; S596-V598 PolarHBondContact OG-N 2.83Å; V598-V634 HydrophobicContact CG1-CG1 4.16Å; V598-T635 WeakPolarHBondContact CA-O 3.34Å; V598-L702 HydrophobicContact CG1-CD2 4.35Å; V598-R704 PolarHBondContact O-NE 3.04Å; V598-R704 PolarHBondContact O-NH2 3.31Å | ||
| 599 | D | 87.3 | Confident | 87.9 | Confident | 12 Ų | 12 | 23.4 Ų | 23.4 | 6% | 0.064 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | -166.3 | 173.4 | -152 | -13.2 | 0 | 0 | 0 | 110.3 | R84 V499 V634 T635 | R84-D599 IonicContact CZ-OD2 3.23Å; R84-D599 VanDerWaalsContact CZ-OD2 3.3Å; R84-D599 IonicContact NH1-OD2 3.57Å; R84-D599 PolarHBondContact NH1-OD2 3.11Å; R84-D599 VanDerWaalsContact NH2-CB 3.34Å; R84-D599 IonicContact NH2-OD2 2.74Å; R84-D599 PolarHBondContact NH2-OD2 2.84Å; R84-D599 VanDerWaalsContact NH2-OD2 3.09Å; V499-D599 HydrophobicContact CG1-CB 3.91Å; V499-D599 WeakPolarHBondContact CG1-OD2 3.32Å; D599-V634 CarbonylContact O-C 3.53Å; D599-V634 WeakPolarHBondContact O-CA 3.33Å; D599-T635 PolarHBondContact N-O 3.47Å; D599-T635 PolarHBondContact O-N 2.85Å; D599-T635 PolarHBondContact O-OG1 2.92Å |
| 600 | F | 88.8 | Confident | 87 | Confident | 14 Ų | 14 | 23.4 Ų | 23.4 | 6% | 0.061 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 154.7 | 180 | 69.4 | -83 | 0 | 0 | 0 | 115.4 | Y602 L632 T633 V690 L692 R704 | F600-Y602 HydrophobicContact CD2-CD1 4.08Å; F600-Y602 AromaticContact CE2-CD1 3.64Å; F600-Y602 HydrophobicContact CE2-CD1 3.64Å; F600-Y602 HydrophobicContact CE2-CE1 4.29Å; F600-Y602 HydrophobicContact CE2-CG 4.2Å; F600-L632 HydrophobicContact CB-CD2 4.13Å; F600-L632 HydrophobicContact CD2-CD2 3.21Å; F600-L632 HydrophobicContact CE2-CD2 3.81Å; F600-L632 HydrophobicContact CG-CD2 3.91Å; F600-T633 CarbonylContact C-O 3.45Å; F600-T633 WeakPolarHBondContact CA-O 3.49Å; F600-T633 WeakPolarHBondContact CB-O 3.32Å; F600-V690 HydrophobicContact CE2-CB 4.47Å; F600-V690 HydrophobicContact CE2-CG1 4.19Å; F600-V690 HydrophobicContact CZ-CG1 4.48Å; F600-V690 WeakPolarHBondContact CZ-O 3.44Å; F600-L692 HydrophobicContact CB-CD2 3.92Å; F600-L692 HydrophobicContact CD1-CB 3.68Å; F600-L692 HydrophobicContact CD1-CD2 4.09Å; F600-L692 HydrophobicContact CE1-CB 3.88Å; F600-L692 HydrophobicContact CG-CB 4.12Å; F600-L692 HydrophobicContact CG-CD2 4.22Å; F600-L692 HydrophobicContact CZ-CB 4.46Å; F600-R704 HydrophobicContact CD1-CB 3.67Å; F600-R704 HydrophobicContact CE1-CB 3.59Å |
| 601 | L | 88.4 | Confident | 85.9 | Confident | 10 Ų | 10 | 24.6 Ų | 24.6 | 5% | 0.052 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 147.7 | 165 | -61.4 | 174 | 0 | 0 | 0 | 108.4 | R88 R91 E401 L632 T633 T635 | R88-L601 HydrophobicContact CB-CD1 4Å; R88-L601 HydrophobicContact CB-CD2 4.36Å; R91-L601 HydrophobicContact CB-CD1 4.41Å; E401-L601 WeakPolarHBondContact OE1-CD2 3.29Å; L601-L632 CarbonylContact O-C 3.55Å; L601-L632 WeakPolarHBondContact O-CA 3.41Å; L601-T633 PolarHBondContact N-O 3.39Å; L601-T633 PolarHBondContact O-N 3.4Å; L601-T635 HydrophobicContact CD1-CG2 4.36Å; L601-T635 HydrophobicContact CG-CG2 4.3Å |
| 602 | Y | 90.8 | Very high | 84.9 | Confident | 10 Ų | 10 | 24.5 Ų | 24.5 | 4% | 0.039 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 167.5 | 178.1 | 78 | -75.4 | 0 | 0 | 0 | 113.2 | R429 F600 F604 L630 V631 V690 E708 I710 | R429-Y602 VanDerWaalsContact CZ-O 3.25Å; R429-Y602 PolarHBondContact NH1-O 3.44Å; R429-Y602 PolarHBondContact NH2-O 3.41Å; F600-Y602 HydrophobicContact CD2-CD1 4.08Å; F600-Y602 AromaticContact CE2-CD1 3.64Å; F600-Y602 HydrophobicContact CE2-CD1 3.64Å; F600-Y602 HydrophobicContact CE2-CE1 4.29Å; F600-Y602 HydrophobicContact CE2-CG 4.2Å; Y602-F604 HydrophobicContact CD2-CE2 4.46Å; Y602-F604 HydrophobicContact CE2-CD2 4.41Å; Y602-F604 HydrophobicContact CE2-CE2 4.07Å; Y602-L630 HydrophobicContact CD2-CD1 3.72Å; Y602-L630 HydrophobicContact CG-CD1 4.47Å; Y602-V631 CarbonylContact C-O 3.6Å; Y602-V631 WeakPolarHBondContact CA-O 3.31Å; Y602-V631 WeakPolarHBondContact CB-O 3.1Å; Y602-V690 HydrophobicContact CD2-CB 4.48Å; Y602-V690 HydrophobicContact CD2-CG2 3.94Å; Y602-V690 HydrophobicContact CE2-CB 4.23Å; Y602-V690 HydrophobicContact CE2-CG2 3.5Å; Y602-E708 VanDerWaalsContact CE1-OE1 3.31Å; Y602-E708 WeakPolarHBondContact CE1-OE1 3.22Å; Y602-E708 VanDerWaalsContact CZ-OE1 3.26Å; Y602-E708 VanDerWaalsContact OH-CD 3.27Å; Y602-E708 PolarHBondContact OH-OE1 3.18Å; Y602-I710 HydrophobicContact CE2-CD1 3.86Å; Y602-I710 WeakPolarHBondContact OH-CD1 3.11Å |
| 603 | Y | 91.3 | Very high | 83.9 | Confident | 21 Ų | 21 | 24.5 Ų | 24.5 | 8% | 0.082 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 160.2 | 164 | 61.7 | -82.5 | 0 | 0 | 0 | 111.2 | A605 R617 V631 | Y603-A605 HydrophobicContact CD2-CB 4.19Å; Y603-A605 HydrophobicContact CE2-CB 3.94Å; Y603-R617 HydrophobicContact CD2-CB 3.86Å; Y603-R617 HydrophobicContact CD2-CG 3.9Å; Y603-R617 HydrophobicContact CE2-CB 4.03Å; Y603-R617 HydrophobicContact CG-CG 4.46Å; Y603-V631 HydrophobicContact CD1-CB 4.02Å; Y603-V631 HydrophobicContact CD1-CG1 4.18Å; Y603-V631 HydrophobicContact CD2-CB 4.34Å; Y603-V631 HydrophobicContact CE1-CB 3.66Å; Y603-V631 HydrophobicContact CE1-CG1 3.45Å; Y603-V631 VanDerWaalsContact CE1-CG1 3.45Å; Y603-V631 HydrophobicContact CE1-CG2 4.39Å; Y603-V631 HydrophobicContact CE2-CB 4.02Å; Y603-V631 HydrophobicContact CE2-CG1 4.46Å; Y603-V631 HydrophobicContact CE2-CG2 3.94Å; Y603-V631 HydrophobicContact CG-CB 4.34Å; Y603-V631 PolarHBondContact N-O 3.12Å; Y603-V631 PolarHBondContact O-N 3.14Å |
| 604 | F | 92.6 | Very high | 83.2 | Confident | 12 Ų | 12 | 24.4 Ų | 24.4 | 5% | 0.053 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 143.6 | 170.2 | -77.2 | -92.8 | 0 | 0 | 0 | 110.6 | Y602 V618 P622 A628 F629 L630 L649 V680 V683 F688 V690 I710 | Y602-F604 HydrophobicContact CD2-CE2 4.46Å; Y602-F604 HydrophobicContact CE2-CD2 4.41Å; Y602-F604 HydrophobicContact CE2-CE2 4.07Å; F604-V618 HydrophobicContact CB-CG2 4.43Å; F604-V618 PolarHBondContact O-N 3.19Å; F604-P622 HydrophobicContact CB-CB 4.13Å; F604-P622 HydrophobicContact CD1-CB 4.24Å; F604-P622 HydrophobicContact CD2-CB 4.47Å; F604-P622 HydrophobicContact CD2-CG 4.19Å; F604-P622 HydrophobicContact CG-CB 4.02Å; F604-P622 HydrophobicContact CG-CG 4.23Å; F604-A628 HydrophobicContact CD1-CB 3.98Å; F604-F629 CarbonylContact C-O 3.24Å; F604-F629 WeakPolarHBondContact CA-O 3.45Å; F604-L630 HydrophobicContact CD2-CD1 4.48Å; F604-L630 HydrophobicContact CE1-CB 4.47Å; F604-L630 HydrophobicContact CE1-CD1 4.44Å; F604-L630 HydrophobicContact CE2-CD1 4.1Å; F604-L630 HydrophobicContact CZ-CD1 4.07Å; F604-L649 HydrophobicContact CZ-CD2 4.34Å; F604-V680 HydrophobicContact CE1-CG2 4.17Å; F604-V683 HydrophobicContact CE1-CG2 4.44Å; F604-F688 HydrophobicContact CE1-CZ 4.42Å; F604-F688 AromaticContact CE2-CE2 3.93Å; F604-F688 HydrophobicContact CE2-CE2 3.93Å; F604-F688 HydrophobicContact CE2-CZ 4Å; F604-F688 AromaticContact CZ-CE2 3.69Å; F604-F688 HydrophobicContact CZ-CE2 3.69Å; F604-F688 AromaticContact CZ-CZ 3.63Å; F604-F688 HydrophobicContact CZ-CZ 3.63Å; F604-V690 HydrophobicContact CE2-CG2 4.38Å; F604-I710 HydrophobicContact CD2-CD1 4.22Å; F604-I710 HydrophobicContact CE2-CD1 3.62Å |
| 605 | A | 91.1 | Very high | 82.6 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 158.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y603 L615 A616 F629 V631 | Y603-A605 HydrophobicContact CD2-CB 4.19Å; Y603-A605 HydrophobicContact CE2-CB 3.94Å; A605-L615 HydrophobicContact CB-CB 3.88Å; A605-L615 HydrophobicContact CB-CD1 4.49Å; A605-A616 CarbonylContact C-O 3.57Å; A605-A616 WeakPolarHBondContact CA-O 3.14Å; A605-A616 VanDerWaalsContact CB-O 3.29Å; A605-A616 WeakPolarHBondContact CB-O 3.27Å; A605-F629 PolarHBondContact N-O 3.11Å; A605-F629 PolarHBondContact O-N 3.49Å; A605-V631 HydrophobicContact CB-CG2 4.22Å |
| 606 | T | 88.9 | Confident | 82.4 | Confident | 62 Ų | 62 | 23.5 Ų | 23.5 | 38% | 0.38 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 153 | 174.7 | 55.5 | 0 | 0 | 0 | 0 | 110.9 | L615 A616 V618 | T606-L615 CarbonylContact O-C 3.11Å; T606-L615 WeakPolarHBondContact O-CA 3.32Å; T606-A616 PolarHBondContact N-O 3.15Å; T606-A616 PolarHBondContact O-N 2.86Å; T606-V618 HydrophobicContact CG2-CG2 4.01Å |
| 607 | V | 82.7 | Confident | 82.4 | Confident | 60 Ų | 60 | 27 Ų | 27 | 36% | 0.364 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 133.2 | -177.8 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | L40 G614 L615 F629 | L40-V607 HydrophobicContact CD1-CG1 4.43Å; V607-G614 WeakPolarHBondContact CA-O 3.47Å; V607-L615 HydrophobicContact CG2-CD2 3.8Å; V607-F629 HydrophobicContact CG2-CD2 4.06Å; V607-F629 HydrophobicContact CG2-CE2 3.48Å; V607-F629 VanDerWaalsContact CG2-CE2 3.48Å; V607-F629 HydrophobicContact CG2-CZ 4.17Å |
| 608 | T | 74.4 | Confident | 82.8 | Confident | 23 Ų | 23 | 25.5 Ų | 25.5 | 14% | 0.141 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 136.6 | 167.3 | 58.6 | 0 | 0 | 0 | 0 | 111 | L102 N610 P613 G614 A616 | L102-T608 HydrophobicContact CD2-CG2 4.11Å; L102-T608 WeakPolarHBondContact CD2-OG1 3.33Å; T608-N610 WeakPolarHBondContact CB-OD1 3.34Å; T608-N610 PolarHBondContact OG1-OD1 2.78Å; T608-P613 WeakPolarHBondContact O-CA 3.38Å; T608-G614 PolarHBondContact N-O 2.84Å; T608-G614 PolarHBondContact O-N 2.9Å; T608-G614 PolarHBondContact OG1-N 3.24Å; T608-G614 PolarHBondContact OG1-O 2.85Å; T608-A616 HydrophobicContact CG2-CB 3.62Å |
| 609 | N | 69.2 | Low | 82.8 | Confident | 127 Ų | 127 | 26.6 Ų | 26.6 | 68% | 0.679 | 14% | 0.14 | S | C | * | . | trans | -118.7 | 47.9 | 179.1 | -68.3 | -26.2 | 0 | 0 | 0 | 110.8 | ||||
| 610 | N | 70.9 | Confident | 83 | Confident | 29 Ų | 29 | 26.7 Ų | 26.7 | 16% | 0.155 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -96.6 | -166.2 | 173.1 | 59.1 | -36.9 | 0 | 0 | 0 | 110.9 | D101 F241 T608 H612 | D101-N610 PolarHBondContact O-ND2 3.36Å; F241-N610 WeakPolarHBondContact CB-O 3.33Å; F241-N610 WeakPolarHBondContact CG-O 3.38Å; T608-N610 WeakPolarHBondContact CB-OD1 3.34Å; T608-N610 PolarHBondContact OG1-OD1 2.78Å; N610-H612 PolarHBondContact O-N 3.47Å; N610-H612 PolarHBondContact OD1-O 2.87Å; N610-H612 VanDerWaalsContact OD1-O 3.12Å |
| 611 | T | 66.1 | Low | 83.1 | Confident | 26 Ų | 26 | 26.5 Ų | 26.5 | 16% | 0.16 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -51.9 | -40.2 | 178.1 | -45.8 | 0 | 0 | 0 | 0 | 112.2 | D242 P613 | D242-T611 HydrophobicContact CB-CG2 4.41Å; T611-P613 WeakPolarHBondContact O-CD 3.25Å |
| 612 | H | 73.1 | Confident | 83.4 | Confident | 5 Ų | 5 | 26.2 Ų | 26.2 | 2% | 0.023 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -114.5 | 85.6 | -179.4 | -51.3 | -81.6 | 0 | 0 | 0 | 110.2 | F32 P33 D101 H162 H237 D256 N610 | F32-H612 HydrophobicContact CD1-CB 4.12Å; F32-H612 HydrophobicContact CE1-CB 4.12Å; F32-H612 AromaticContact CE1-ND1 3.7Å; P33-H612 HydrophobicContact CG-CB 4.27Å; D101-H612 HydrophobicContact CB-CB 3.83Å; D101-H612 WeakPolarHBondContact OD1-CB 3.45Å; D101-H612 IonicContact OD1-CD2 2.97Å; D101-H612 PolarHBondContact OD1-CD2 3.42Å; D101-H612 IonicContact OD1-CG 3.16Å; D101-H612 IonicContact OD1-ND1 2.64Å; D101-H612 IonicContact OD1-NE2 2.63Å; D101-H612 IonicContact OD2-CG 2.84Å; H162-H612 AromaticContact NE2-CE1 3.74Å; H237-H612 AromaticContact CE1-CE1 3.57Å; H237-H612 AromaticContact NE2-CE1 3.57Å; D256-H612 IonicContact OD2-CE1 3.09Å; D256-H612 IonicContact OD2-ND1 2.69Å; N610-H612 PolarHBondContact O-N 3.47Å; N610-H612 PolarHBondContact OD1-O 2.87Å; N610-H612 VanDerWaalsContact OD1-O 3.12Å |
| 613 | P | 74 | Confident | 83.5 | Confident | 3 Ų | 3 | 26.9 Ų | 26.9 | 2% | 0.019 | 15% | 0.148 | C | C | . | . | trans | -67.8 | 141.7 | -175 | 30 | -38 | 0 | 0 | 0 | 111.8 | S37 I41 F241 T608 T611 | S37-P613 WeakPolarHBondContact CB-O 3.32Å; I41-P613 HydrophobicContact CG2-CG 4.18Å; F241-P613 HydrophobicContact CD2-CG 4.26Å; F241-P613 HydrophobicContact CE2-CB 4.28Å; F241-P613 HydrophobicContact CE2-CG 3.89Å; T608-P613 WeakPolarHBondContact O-CA 3.38Å; T611-P613 WeakPolarHBondContact O-CD 3.25Å | ||
| 614 | G | 78.9 | Confident | 83.7 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.5 | -165.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | V607 T608 | V607-G614 WeakPolarHBondContact CA-O 3.47Å; T608-G614 PolarHBondContact N-O 2.84Å; T608-G614 PolarHBondContact O-N 2.9Å; T608-G614 PolarHBondContact OG1-N 3.24Å; T608-G614 PolarHBondContact OG1-O 2.85Å |
| 615 | L | 82.8 | Confident | 83.8 | Confident | 5 Ų | 5 | 27.6 Ų | 27.6 | 3% | 0.026 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 101.7 | 172.9 | -74.7 | -172.9 | 0 | 0 | 0 | 109.6 | W36 A605 T606 V607 F629 V631 V677 | W36-L615 HydrophobicContact CB-CD1 3.92Å; W36-L615 HydrophobicContact CB-CG 3.79Å; W36-L615 VanDerWaalsContact CD1-CD1 3.49Å; W36-L615 HydrophobicContact CD2-CD1 3.88Å; W36-L615 HydrophobicContact CD2-CG 4.43Å; W36-L615 HydrophobicContact CG-CD1 3.42Å; W36-L615 VanDerWaalsContact CG-CD1 3.42Å; W36-L615 HydrophobicContact CG-CG 3.85Å; A605-L615 HydrophobicContact CB-CB 3.88Å; A605-L615 HydrophobicContact CB-CD1 4.49Å; T606-L615 CarbonylContact O-C 3.11Å; T606-L615 WeakPolarHBondContact O-CA 3.32Å; V607-L615 HydrophobicContact CG2-CD2 3.8Å; L615-F629 HydrophobicContact CD1-CB 3.89Å; L615-F629 HydrophobicContact CD1-CD1 4.34Å; L615-F629 HydrophobicContact CD1-CG 4.12Å; L615-F629 HydrophobicContact CD2-CB 4.05Å; L615-F629 HydrophobicContact CD2-CD1 4.39Å; L615-F629 HydrophobicContact CD2-CD2 3.69Å; L615-F629 HydrophobicContact CD2-CE2 4.26Å; L615-F629 HydrophobicContact CD2-CG 3.77Å; L615-V631 HydrophobicContact CD1-CG2 3.92Å; L615-V677 HydrophobicContact CD1-CG1 4.18Å |
| 616 | A | 85.4 | Confident | 83.9 | Confident | 14 Ų | 14 | 29 Ų | 29 | 12% | 0.116 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 127 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L102 A605 T606 T608 V618 | L102-A616 HydrophobicContact CB-CB 4Å; A605-A616 CarbonylContact C-O 3.57Å; A605-A616 WeakPolarHBondContact CA-O 3.14Å; A605-A616 VanDerWaalsContact CB-O 3.29Å; A605-A616 WeakPolarHBondContact CB-O 3.27Å; T606-A616 PolarHBondContact N-O 3.15Å; T606-A616 PolarHBondContact O-N 2.86Å; T608-A616 HydrophobicContact CG2-CB 3.62Å; A616-V618 PolarHBondContact O-N 3.27Å |
| 617 | R | 87.9 | Confident | 84.1 | Confident | 78 Ų | 78 | 29.9 Ų | 29.9 | 29% | 0.294 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 136.3 | 171.5 | 173.1 | 177.3 | 171.3 | -157.5 | -6.3 | 109.6 | E427 Y603 | E427-R617 IonicContact OE1-CZ 2.68Å; E427-R617 IonicContact OE1-NH1 2.97Å; E427-R617 PolarHBondContact OE1-NH1 3.06Å; E427-R617 VanDerWaalsContact OE1-NH1 3.11Å; E427-R617 IonicContact OE1-NH2 3.81Å; E427-R617 PolarHBondContact OE1-NH2 3.17Å; E427-R617 IonicContact OE2-NH2 2.9Å; E427-R617 PolarHBondContact OE2-NH2 2.75Å; Y603-R617 HydrophobicContact CD2-CB 3.86Å; Y603-R617 HydrophobicContact CD2-CG 3.9Å; Y603-R617 HydrophobicContact CE2-CB 4.03Å; Y603-R617 HydrophobicContact CG-CG 4.46Å |
| 618 | V | 89.1 | Confident | 84.7 | Confident | 12 Ų | 12 | 27.3 Ų | 27.3 | 7% | 0.073 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -75.3 | 125.4 | 169.4 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | F604 T606 A616 | F604-V618 HydrophobicContact CB-CG2 4.43Å; F604-V618 PolarHBondContact O-N 3.19Å; T606-V618 HydrophobicContact CG2-CG2 4.01Å; A616-V618 PolarHBondContact O-N 3.27Å |
| 619 | E | 86.1 | Confident | 85.6 | Confident | 35 Ų | 35 | 27.9 Ų | 27.9 | 16% | 0.164 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -75.9 | 137 | 170.1 | -59.5 | -171.2 | 144.8 | 0 | 0 | 109.5 | K103 M719 | K103-E619 WeakPolarHBondContact CE-OE1 3.42Å; K103-E619 IonicContact NZ-OE1 3.36Å; K103-E619 PolarHBondContact NZ-OE1 3.08Å; E619-M719 PolarHBondContact OE2-N 3.18Å |
| 620 | G | 89.9 | Confident | 86.7 | Confident | 15 Ų | 15 | 21.8 Ų | 21.8 | 16% | 0.155 | 14% | 0.137 | C | C | . | . | S | Bend | trans | 67.9 | -140.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y807 | G620-Y807 VanDerWaalsContact CA-O 3.28Å; G620-Y807 WeakPolarHBondContact CA-O 3.11Å |
| 621 | S | 91.4 | Very high | 87.6 | Confident | 9 Ų | 9 | 20.5 Ų | 20.5 | 6% | 0.063 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -84.3 | 146.9 | 177.1 | -67.2 | 0 | 0 | 0 | 0 | 112.6 | Q711 N806 | S621-Q711 WeakPolarHBondContact CB-O 3.46Å; S621-Q711 PolarHBondContact OG-O 3.24Å; S621-Q711 VanDerWaalsContact OG-O 3.12Å; S621-N806 PolarHBondContact N-OD1 3.29Å; S621-N806 PolarHBondContact O-ND2 2.89Å |
| 622 | P | 94 | Very high | 88.6 | Confident | 5 Ų | 5 | 19.3 Ų | 19.3 | 3% | 0.032 | 12% | 0.122 | C | C | . | . | P | Polyproline II helix | trans | -65.7 | 149.9 | 175.1 | 30.1 | -35.6 | 0 | 0 | 0 | 112 | F604 A624 V683 F688 I710 T713 | F604-P622 HydrophobicContact CB-CB 4.13Å; F604-P622 HydrophobicContact CD1-CB 4.24Å; F604-P622 HydrophobicContact CD2-CB 4.47Å; F604-P622 HydrophobicContact CD2-CG 4.19Å; F604-P622 HydrophobicContact CG-CB 4.02Å; F604-P622 HydrophobicContact CG-CG 4.23Å; P622-A624 PolarHBondContact O-N 3.49Å; P622-V683 HydrophobicContact CB-CG1 3.99Å; P622-V683 HydrophobicContact CB-CG2 4.09Å; P622-V683 HydrophobicContact CG-CG1 3.87Å; P622-F688 HydrophobicContact CG-CZ 4.41Å; P622-I710 HydrophobicContact CG-CG2 3.82Å; P622-T713 PolarHBondContact O-N 2.85Å |
| 623 | V | 94 | Very high | 89.2 | Confident | 23 Ų | 23 | 19.2 Ų | 19.2 | 14% | 0.139 | 12% | 0.122 | C | C | . | . | B | Isolated β-bridge | trans | -70.5 | 118.7 | -178 | -178.1 | 0 | 0 | 0 | 0 | 109.9 | A626 V683 T713 Q716 H740 | V623-A626 HydrophobicContact CB-CB 3.93Å; V623-A626 HydrophobicContact CG1-CB 3.88Å; V623-A626 PolarHBondContact O-N 3.18Å; V623-V683 WeakPolarHBondContact O-CB 3.34Å; V623-T713 CarbonylContact C-O 3.58Å; V623-T713 VanDerWaalsContact CA-O 3.25Å; V623-T713 WeakPolarHBondContact CA-O 3.36Å; V623-Q716 HydrophobicContact CG2-CB 4.48Å; V623-H740 HydrophobicContact CG1-CB 3.91Å |
| 624 | A | 95.1 | Very high | 89.6 | Confident | 6 Ų | 6 | 20 Ų | 20 | 5% | 0.05 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 138.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | P622 A626 T685 P712 T713 H714 | P622-A624 PolarHBondContact O-N 3.49Å; A624-A626 PolarHBondContact O-N 3.45Å; A624-T685 HydrophobicContact CB-CG2 4.38Å; A624-P712 HydrophobicContact CB-CB 3.83Å; A624-T713 PolarHBondContact N-O 3.4Å; A624-H714 PolarHBondContact O-CD2 2.93Å |
| 625 | G | 94.4 | Very high | 89.7 | Confident | 42 Ų | 42 | 20.1 Ų | 20.1 | 43% | 0.433 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | -10.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | V683 | G625-V683 WeakPolarHBondContact CA-O 3.39Å; G625-V683 PolarHBondContact N-O 3.46Å |
| 626 | A | 93.6 | Very high | 89.2 | Confident | 31 Ų | 31 | 21.2 Ų | 21.2 | 26% | 0.256 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -84.4 | 151 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V623 A624 V683 | V623-A626 HydrophobicContact CB-CB 3.93Å; V623-A626 HydrophobicContact CG1-CB 3.88Å; V623-A626 PolarHBondContact O-N 3.18Å; A624-A626 PolarHBondContact O-N 3.45Å; A626-V683 WeakPolarHBondContact O-CG2 3.37Å; A626-V683 PolarHBondContact O-N 3.25Å |
| 627 | P | 94.2 | Very high | 88.3 | Confident | 80 Ų | 80 | 22.7 Ų | 22.7 | 52% | 0.519 | 15% | 0.145 | S | C | . | . | trans | -69.3 | 143.8 | 170.8 | 29 | -34.5 | 0 | 0 | 0 | 111.1 | F679 V680 | P627-F679 HydrophobicContact CB-CE2 4.05Å; P627-F679 HydrophobicContact CB-CZ 3.76Å; P627-V680 WeakPolarHBondContact CA-O 3.39Å | ||
| 628 | A | 94.6 | Very high | 86.6 | Confident | 5 Ų | 5 | 23.3 Ų | 23.3 | 4% | 0.041 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 168.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F604 V680 V683 | F604-A628 HydrophobicContact CD1-CB 3.98Å; A628-V680 PolarHBondContact N-O 2.9Å; A628-V680 WeakPolarHBondContact O-CA 3.46Å; A628-V680 WeakPolarHBondContact O-CB 3.25Å; A628-V680 PolarHBondContact O-N 3.4Å; A628-V683 HydrophobicContact CB-CG2 3.76Å |
| 629 | F | 92.3 | Very high | 84.7 | Confident | 35 Ų | 35 | 25.9 Ų | 25.9 | 15% | 0.154 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 133.1 | 167.1 | -72.2 | -97.3 | 0 | 0 | 0 | 109.5 | W36 F604 A605 V607 L615 V677 G678 F679 | W36-F629 HydrophobicContact CH2-CE1 4.22Å; W36-F629 HydrophobicContact CZ3-CE1 4.21Å; F604-F629 CarbonylContact C-O 3.24Å; F604-F629 WeakPolarHBondContact CA-O 3.45Å; A605-F629 PolarHBondContact N-O 3.11Å; A605-F629 PolarHBondContact O-N 3.49Å; V607-F629 HydrophobicContact CG2-CD2 4.06Å; V607-F629 HydrophobicContact CG2-CE2 3.48Å; V607-F629 VanDerWaalsContact CG2-CE2 3.48Å; V607-F629 HydrophobicContact CG2-CZ 4.17Å; L615-F629 HydrophobicContact CD1-CB 3.89Å; L615-F629 HydrophobicContact CD1-CD1 4.34Å; L615-F629 HydrophobicContact CD1-CG 4.12Å; L615-F629 HydrophobicContact CD2-CB 4.05Å; L615-F629 HydrophobicContact CD2-CD1 4.39Å; L615-F629 HydrophobicContact CD2-CD2 3.69Å; L615-F629 HydrophobicContact CD2-CE2 4.26Å; L615-F629 HydrophobicContact CD2-CG 3.77Å; F629-V677 HydrophobicContact CB-CG1 4.3Å; F629-V677 HydrophobicContact CD1-CG1 4.13Å; F629-G678 WeakPolarHBondContact CA-O 3.44Å; F629-F679 HydrophobicContact CD1-CD2 4.28Å; F629-F679 HydrophobicContact CD2-CD2 4.24Å; F629-F679 HydrophobicContact CE1-CB 4.24Å; F629-F679 AromaticContact CE1-CD2 3.85Å; F629-F679 HydrophobicContact CE1-CD2 3.85Å; F629-F679 AromaticContact CE2-CD2 3.77Å; F629-F679 HydrophobicContact CE2-CD2 3.77Å; F629-F679 HydrophobicContact CE2-CE2 4.02Å; F629-F679 HydrophobicContact CG-CD2 4.47Å; F629-F679 AromaticContact CZ-CD2 3.57Å; F629-F679 HydrophobicContact CZ-CD2 3.57Å; F629-F679 HydrophobicContact CZ-CE2 4.13Å |
| 630 | L | 92.9 | Very high | 83.1 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 109.3 | 171.9 | 175.2 | 59.3 | 0 | 0 | 0 | 108.2 | Y602 F604 L632 A647 L649 V677 G678 V680 V690 | Y602-L630 HydrophobicContact CD2-CD1 3.72Å; Y602-L630 HydrophobicContact CG-CD1 4.47Å; F604-L630 HydrophobicContact CD2-CD1 4.48Å; F604-L630 HydrophobicContact CE1-CB 4.47Å; F604-L630 HydrophobicContact CE1-CD1 4.44Å; F604-L630 HydrophobicContact CE2-CD1 4.1Å; F604-L630 HydrophobicContact CZ-CD1 4.07Å; L630-L632 HydrophobicContact CD1-CD1 4.36Å; L630-L632 HydrophobicContact CD1-CG 4.46Å; L630-L632 HydrophobicContact CD2-CD1 3.76Å; L630-L632 HydrophobicContact CG-CD1 3.78Å; L630-L632 HydrophobicContact CG-CG 4.27Å; L630-A647 HydrophobicContact CD2-CB 3.57Å; L630-L649 HydrophobicContact CD2-CD2 4.42Å; L630-V677 WeakPolarHBondContact O-CA 3.25Å; L630-V677 WeakPolarHBondContact O-CG1 3.23Å; L630-G678 PolarHBondContact N-O 2.96Å; L630-G678 PolarHBondContact O-N 2.97Å; L630-G678 VanDerWaalsContact O-N 3.09Å; L630-V680 HydrophobicContact CB-CG2 3.73Å; L630-V690 HydrophobicContact CD2-CG1 4.13Å |
| 631 | V | 89.2 | Confident | 81.3 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 128.2 | 175.7 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | Y602 Y603 A605 L615 V677 | Y602-V631 CarbonylContact C-O 3.6Å; Y602-V631 WeakPolarHBondContact CA-O 3.31Å; Y602-V631 WeakPolarHBondContact CB-O 3.1Å; Y603-V631 HydrophobicContact CD1-CB 4.02Å; Y603-V631 HydrophobicContact CD1-CG1 4.18Å; Y603-V631 HydrophobicContact CD2-CB 4.34Å; Y603-V631 HydrophobicContact CE1-CB 3.66Å; Y603-V631 HydrophobicContact CE1-CG1 3.45Å; Y603-V631 VanDerWaalsContact CE1-CG1 3.45Å; Y603-V631 HydrophobicContact CE1-CG2 4.39Å; Y603-V631 HydrophobicContact CE2-CB 4.02Å; Y603-V631 HydrophobicContact CE2-CG1 4.46Å; Y603-V631 HydrophobicContact CE2-CG2 3.94Å; Y603-V631 HydrophobicContact CG-CB 4.34Å; Y603-V631 PolarHBondContact N-O 3.12Å; Y603-V631 PolarHBondContact O-N 3.14Å; A605-V631 HydrophobicContact CB-CG2 4.22Å; L615-V631 HydrophobicContact CD1-CG2 3.92Å; V631-V677 HydrophobicContact CB-CG2 4.13Å; V631-V677 HydrophobicContact CG1-CG2 3.86Å; V631-V677 HydrophobicContact CG2-CG1 4.07Å; V631-V677 HydrophobicContact CG2-CG2 3.95Å |
| 632 | L | 88.5 | Confident | 79.4 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 155.7 | -174.1 | -92.5 | 154 | 0 | 0 | 0 | 110.8 | F600 L601 L630 A647 L662 E675 L676 | F600-L632 HydrophobicContact CB-CD2 4.13Å; F600-L632 HydrophobicContact CD2-CD2 3.21Å; F600-L632 HydrophobicContact CE2-CD2 3.81Å; F600-L632 HydrophobicContact CG-CD2 3.91Å; L601-L632 CarbonylContact O-C 3.55Å; L601-L632 WeakPolarHBondContact O-CA 3.41Å; L630-L632 HydrophobicContact CD1-CD1 4.36Å; L630-L632 HydrophobicContact CD1-CG 4.46Å; L630-L632 HydrophobicContact CD2-CD1 3.76Å; L630-L632 HydrophobicContact CG-CD1 3.78Å; L630-L632 HydrophobicContact CG-CG 4.27Å; L632-A647 HydrophobicContact CD1-CB 3.69Å; L632-L662 HydrophobicContact CB-CD1 4.41Å; L632-L662 HydrophobicContact CD1-CD1 3.54Å; L632-L662 HydrophobicContact CD1-CD2 3.73Å; L632-L662 HydrophobicContact CD1-CG 4.29Å; L632-E675 WeakPolarHBondContact O-CA 3.42Å; L632-L676 WeakPolarHBondContact CA-O 3.29Å; L632-L676 HydrophobicContact CB-CB 4.12Å; L632-L676 WeakPolarHBondContact CB-O 3.36Å; L632-L676 PolarHBondContact N-O 2.9Å; L632-L676 PolarHBondContact O-N 3.42Å |
| 633 | T | 84 | Confident | 77.7 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 121.5 | 178 | -62.7 | 0 | 0 | 0 | 0 | 109 | R91 F600 L601 L673 | R91-T633 PolarHBondContact NH2-OG1 2.82Å; F600-T633 CarbonylContact C-O 3.45Å; F600-T633 WeakPolarHBondContact CA-O 3.49Å; F600-T633 WeakPolarHBondContact CB-O 3.32Å; L601-T633 PolarHBondContact N-O 3.39Å; L601-T633 PolarHBondContact O-N 3.4Å; T633-L673 HydrophobicContact CG2-CB 3.7Å; T633-L673 HydrophobicContact CG2-CD1 3.95Å; T633-L673 HydrophobicContact CG2-CD2 3.74Å; T633-L673 HydrophobicContact CG2-CG 4Å |
| 634 | V | 83.6 | Confident | 76.4 | Confident | 20 Ų | 20 | 39.5 Ų | 39.5 | 12% | 0.121 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 130.1 | 178 | -171.8 | 0 | 0 | 0 | 0 | 109.3 | V598 D599 Q637 F645 L676 L692 | V598-V634 HydrophobicContact CG1-CG1 4.16Å; D599-V634 CarbonylContact O-C 3.53Å; D599-V634 WeakPolarHBondContact O-CA 3.33Å; V634-Q637 HydrophobicContact CG1-CB 4.48Å; V634-F645 HydrophobicContact CG2-CD1 4.46Å; V634-F645 HydrophobicContact CG2-CE1 4.05Å; V634-F645 HydrophobicContact CG2-CZ 4.22Å; V634-L676 HydrophobicContact CG2-CD1 3.65Å; V634-L692 HydrophobicContact CG2-CD2 3.82Å |
| 635 | T | 80.4 | Confident | 75.7 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.018 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 160.4 | 176 | 61.4 | 0 | 0 | 0 | 0 | 110.7 | W87 V598 D599 L601 Q637 | W87-T635 HydrophobicContact CB-CG2 4.06Å; V598-T635 WeakPolarHBondContact CA-O 3.34Å; D599-T635 PolarHBondContact N-O 3.47Å; D599-T635 PolarHBondContact O-N 2.85Å; D599-T635 PolarHBondContact O-OG1 2.92Å; L601-T635 HydrophobicContact CD1-CG2 4.36Å; L601-T635 HydrophobicContact CG-CG2 4.3Å; T635-Q637 PolarHBondContact O-N 3.37Å; T635-Q637 VanDerWaalsContact O-N 3.09Å |
| 636 | G | 72.7 | Confident | 75.5 | Confident | 28 Ų | 28 | 41 Ų | 41 | 29% | 0.289 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 77 | -15.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | S597 | S597-G636 VanDerWaalsContact O-CA 3.26Å; S597-G636 WeakPolarHBondContact O-CA 3.39Å |
| 637 | Q | 67.1 | Low | 75.5 | Confident | 44 Ų | 44 | 39.6 Ų | 39.6 | 21% | 0.206 | 23% | 0.234 | C | C | . | . | trans | -88.1 | 127.1 | 177.8 | -148.3 | 170.9 | 20.8 | 0 | 0 | 110.9 | V634 T635 S639 | V634-Q637 HydrophobicContact CG1-CB 4.48Å; T635-Q637 PolarHBondContact O-N 3.37Å; T635-Q637 VanDerWaalsContact O-N 3.09Å; Q637-S639 VanDerWaalsContact C-N 3.28Å; Q637-S639 WeakPolarHBondContact CG-O 3.44Å; Q637-S639 PolarHBondContact O-N 3.12Å | ||
| 638 | S | 50.6 | Low | 75.5 | Confident | 91 Ų | 91 | 36.2 Ų | 36.2 | 64% | 0.636 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -79.8 | -6.7 | -177.5 | -51.4 | 0 | 0 | 0 | 0 | 114.7 | ||
| 639 | S | 51.1 | Low | 75.6 | Confident | 67 Ų | 67 | 36 Ų | 36 | 47% | 0.469 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -164.2 | 132.8 | 177.1 | 55 | 0 | 0 | 0 | 0 | 108.4 | Q637 | Q637-S639 VanDerWaalsContact C-N 3.28Å; Q637-S639 WeakPolarHBondContact CG-O 3.44Å; Q637-S639 PolarHBondContact O-N 3.12Å |
| 640 | P | 50.7 | Low | 75.6 | Confident | 70 Ų | 70 | 34.8 Ų | 34.8 | 46% | 0.455 | 21% | 0.205 | S | C | . | . | trans | -62.2 | 134.6 | 170.3 | 27.7 | -33.6 | 0 | 0 | 0 | 109.1 | E674 | P640-E674 VanDerWaalsContact CB-OE2 3.25Å; P640-E674 WeakPolarHBondContact CB-OE2 3.25Å; P640-E674 WeakPolarHBondContact CG-OE2 3.36Å | ||
| 641 | P | 52 | Low | 75.5 | Confident | 23 Ų | 23 | 34.8 Ų | 34.8 | 15% | 0.149 | 21% | 0.205 | C | C | . | . | trans | -70.7 | 156.7 | 168.7 | 20.4 | -14.5 | 0 | 0 | 0 | 109.8 | G643 F645 Q664 L695 | P641-G643 PolarHBondContact O-N 3Å; P641-F645 HydrophobicContact CG-CZ 4.21Å; P641-Q664 PolarHBondContact O-NE2 3.31Å; P641-L695 HydrophobicContact CG-CB 4.49Å; P641-L695 WeakPolarHBondContact CG-O 3.43Å | ||
| 642 | E | 52.3 | Low | 75.2 | Confident | 209 Ų | 209 | 36.8 Ų | 36.8 | 98% | 0.977 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -68.7 | 24.1 | 175.6 | -60.6 | -179.1 | 127.2 | 0 | 0 | 113.6 | ||
| 643 | G | 57.6 | Low | 74.9 | Confident | 11 Ų | 11 | 41.7 Ų | 41.7 | 11% | 0.113 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -107.3 | 137.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | P641 F645 | P641-G643 PolarHBondContact O-N 3Å; G643-F645 PolarHBondContact O-N 2.9Å |
| 644 | S | 68.4 | Low | 74.9 | Confident | 60 Ų | 60 | 42.7 Ų | 42.7 | 42% | 0.42 | 26% | 0.256 | S | S | . | . | trans | -57.4 | 122.8 | 169.5 | -54.6 | 0 | 0 | 0 | 0 | 110.9 | Y646 | S644-Y646 VanDerWaalsContact CB-CE2 3.44Å; S644-Y646 WeakPolarHBondContact O-CD2 3.48Å; S644-Y646 WeakPolarHBondContact O-CE2 3.48Å | ||
| 645 | F | 80 | Confident | 75.1 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.009 | 27% | 0.266 | C | S | . | . | trans | -82.1 | 149.9 | 164 | -68.6 | -88.6 | 0 | 0 | 0 | 110.3 | V634 P641 G643 L662 L676 L692 | V634-F645 HydrophobicContact CG2-CD1 4.46Å; V634-F645 HydrophobicContact CG2-CE1 4.05Å; V634-F645 HydrophobicContact CG2-CZ 4.22Å; P641-F645 HydrophobicContact CG-CZ 4.21Å; G643-F645 PolarHBondContact O-N 2.9Å; F645-L662 HydrophobicContact CB-CB 4.3Å; F645-L662 HydrophobicContact CB-CD1 3.97Å; F645-L662 WeakPolarHBondContact O-CB 3.26Å; F645-L662 PolarHBondContact O-N 3.01Å; F645-L676 HydrophobicContact CB-CD1 3.76Å; F645-L676 HydrophobicContact CD1-CD1 4.17Å; F645-L676 HydrophobicContact CD2-CD1 3.55Å; F645-L676 HydrophobicContact CD2-CD2 4.04Å; F645-L676 HydrophobicContact CD2-CG 4.47Å; F645-L676 HydrophobicContact CE2-CD1 4.12Å; F645-L676 HydrophobicContact CG-CD1 3.57Å; F645-L692 HydrophobicContact CB-CD1 4.37Å; F645-L692 HydrophobicContact CD1-CD1 3.95Å | ||
| 646 | Y | 89.6 | Confident | 75.7 | Confident | 78 Ų | 78 | 49 Ų | 49 | 31% | 0.306 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 148.8 | 174.5 | -61.2 | -96.2 | 0 | 0 | 0 | 108.4 | S644 E659 K661 A693 | S644-Y646 VanDerWaalsContact CB-CE2 3.44Å; S644-Y646 WeakPolarHBondContact O-CD2 3.48Å; S644-Y646 WeakPolarHBondContact O-CE2 3.48Å; Y646-E659 HydrophobicContact CD1-CG 4.28Å; Y646-K661 HydrophobicContact CD1-CB 4.19Å; Y646-K661 HydrophobicContact CD1-CG 4.29Å; Y646-K661 HydrophobicContact CE1-CB 4.12Å; Y646-K661 HydrophobicContact CE1-CG 3.9Å; Y646-A693 PolarHBondContact N-O 2.9Å; Y646-A693 PolarHBondContact O-N 3.49Å; Y646-A693 VanDerWaalsContact O-O 3.07Å |
| 647 | A | 93.3 | Very high | 76.7 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 141.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | L630 L632 V660 L662 V690 Q691 | L630-A647 HydrophobicContact CD2-CB 3.57Å; L632-A647 HydrophobicContact CD1-CB 3.69Å; A647-V660 HydrophobicContact CB-CB 4.31Å; A647-V660 PolarHBondContact N-O 2.78Å; A647-V660 PolarHBondContact O-N 3.48Å; A647-L662 HydrophobicContact CB-CD1 4.12Å; A647-L662 HydrophobicContact CB-CD2 4.01Å; A647-L662 HydrophobicContact CB-CG 4.25Å; A647-V690 HydrophobicContact CB-CG1 4.36Å; A647-Q691 CarbonylContact C-O 3.59Å; A647-Q691 VanDerWaalsContact CA-O 3.23Å; A647-Q691 WeakPolarHBondContact CA-O 3.14Å |
| 648 | T | 94.8 | Very high | 78 | Confident | 10 Ų | 10 | 48.8 Ų | 48.8 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 128.2 | 172.8 | -51 | 0 | 0 | 0 | 0 | 108.3 | L650 S656 Q658 Q691 | T648-L650 HydrophobicContact CG2-CD2 3.7Å; T648-L650 HydrophobicContact CG2-CG 4.46Å; T648-L650 PolarHBondContact O-N 3Å; T648-S656 WeakPolarHBondContact CG2-OG 3.05Å; T648-Q658 CarbonylContact C-O 3.56Å; T648-Q658 WeakPolarHBondContact CA-O 3.26Å; T648-Q691 PolarHBondContact N-O 3.04Å; T648-Q691 PolarHBondContact O-N 2.82Å |
| 649 | L | 95.6 | Very high | 80.1 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 111.1 | 168.5 | -53.8 | -172.5 | 0 | 0 | 0 | 107.2 | F604 L630 L657 Q658 V660 V680 P684 F688 V690 | F604-L649 HydrophobicContact CZ-CD2 4.34Å; L630-L649 HydrophobicContact CD2-CD2 4.42Å; L649-L657 WeakPolarHBondContact O-CB 3.28Å; L649-L657 PolarHBondContact O-N 3.14Å; L649-Q658 HydrophobicContact CB-CB 4.49Å; L649-Q658 HydrophobicContact CD1-CB 4.38Å; L649-Q658 HydrophobicContact CG-CB 4.48Å; L649-Q658 PolarHBondContact N-O 3.3Å; L649-V660 HydrophobicContact CG-CG2 4.49Å; L649-V680 HydrophobicContact CD1-CG1 4Å; L649-P684 HydrophobicContact CB-CG 4.37Å; L649-P684 HydrophobicContact CD1-CG 3.72Å; L649-F688 HydrophobicContact CB-CD2 4.26Å; L649-F688 HydrophobicContact CD1-CE2 4.35Å; L649-F688 HydrophobicContact CD1-CZ 4.43Å; L649-F688 HydrophobicContact CD2-CD2 4.07Å; L649-F688 HydrophobicContact CD2-CE2 3.86Å; L649-V690 HydrophobicContact CD2-CG2 4.01Å |
| 650 | L | 93.4 | Very high | 82.1 | Confident | 9 Ų | 9 | 47.7 Ų | 47.7 | 5% | 0.047 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 133 | -178.6 | -64.1 | -176.7 | 0 | 0 | 0 | 110.4 | T648 E655 F688 S689 Q691 V705 | T648-L650 HydrophobicContact CG2-CD2 3.7Å; T648-L650 HydrophobicContact CG2-CG 4.46Å; T648-L650 PolarHBondContact O-N 3Å; L650-E655 CarbonylContact C-O 3.48Å; L650-E655 VanDerWaalsContact CA-O 3.3Å; L650-E655 WeakPolarHBondContact CA-O 3.18Å; L650-F688 CarbonylContact O-C 3.56Å; L650-F688 WeakPolarHBondContact O-CA 3.46Å; L650-F688 WeakPolarHBondContact O-CB 3.39Å; L650-S689 PolarHBondContact N-O 2.71Å; L650-S689 PolarHBondContact O-N 3.27Å; L650-Q691 HydrophobicContact CD1-CB 3.68Å; L650-Q691 HydrophobicContact CD1-CG 4.3Å; L650-Q691 HydrophobicContact CG-CB 3.9Å; L650-V705 HydrophobicContact CD1-CG2 4.32Å |
| 651 | G | 91 | Very high | 83.9 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | trans | -79.9 | -154.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | E655 | G651-E655 VanDerWaalsContact CA-CD 3.45Å; G651-E655 VanDerWaalsContact CA-OE1 3.28Å; G651-E655 WeakPolarHBondContact CA-OE1 3.43Å; G651-E655 WeakPolarHBondContact CA-OE2 3.39Å; G651-E655 PolarHBondContact N-O 2.72Å | ||
| 652 | A | 83.3 | Confident | 85.5 | Confident | 43 Ų | 43 | 48.8 Ų | 48.8 | 36% | 0.355 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -76.3 | -30.4 | -166.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | K505 E655 K709 | K505-A652 PolarHBondContact N-O 3.48Å; A652-E655 PolarHBondContact N-OE1 2.97Å; A652-E655 VanDerWaalsContact N-OE1 3.17Å; A652-E655 PolarHBondContact N-OE2 3.14Å; A652-E655 VanDerWaalsContact N-OE2 3.1Å; A652-K709 PolarHBondContact O-NZ 3.11Å |
| 653 | E | 81.9 | Confident | 86.6 | Confident | 104 Ų | 104 | 42.8 Ų | 42.8 | 49% | 0.486 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -100 | -2.9 | -176 | -60.5 | 175.7 | -146.8 | 0 | 0 | 112.3 | A504 H514 E655 | A504-E653 VanDerWaalsContact CB-O 3.3Å; A504-E653 WeakPolarHBondContact CB-O 3.45Å; H514-E653 PolarHBondContact CE1-O 2.72Å; E653-E655 WeakPolarHBondContact CA-OE2 3.03Å; E653-E655 WeakPolarHBondContact CB-OE2 3.4Å; E653-E655 PolarHBondContact N-OE2 3.33Å |
| 654 | G | 82.7 | Confident | 87.1 | Confident | 24 Ų | 24 | 45.7 Ų | 45.7 | 25% | 0.247 | 24% | 0.244 | C | C | . | . | S | Bend | trans | 90.6 | 14.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 655 | E | 89.1 | Confident | 86.3 | Confident | 73 Ų | 73 | 44 Ų | 44 | 34% | 0.341 | 23% | 0.232 | S | C | . | . | trans | -70.7 | 142.7 | 172.4 | 76.8 | -73.8 | -167.5 | 0 | 0 | 111.8 | L650 G651 A652 E653 L657 | L650-E655 CarbonylContact C-O 3.48Å; L650-E655 VanDerWaalsContact CA-O 3.3Å; L650-E655 WeakPolarHBondContact CA-O 3.18Å; G651-E655 VanDerWaalsContact CA-CD 3.45Å; G651-E655 VanDerWaalsContact CA-OE1 3.28Å; G651-E655 WeakPolarHBondContact CA-OE1 3.43Å; G651-E655 WeakPolarHBondContact CA-OE2 3.39Å; G651-E655 PolarHBondContact N-O 2.72Å; A652-E655 PolarHBondContact N-OE1 2.97Å; A652-E655 VanDerWaalsContact N-OE1 3.17Å; A652-E655 PolarHBondContact N-OE2 3.14Å; A652-E655 VanDerWaalsContact N-OE2 3.1Å; E653-E655 WeakPolarHBondContact CA-OE2 3.03Å; E653-E655 WeakPolarHBondContact CB-OE2 3.4Å; E653-E655 PolarHBondContact N-OE2 3.33Å; E655-L657 HydrophobicContact CG-CD2 4.04Å; E655-L657 PolarHBondContact O-N 3.38Å | ||
| 656 | S | 92.4 | Very high | 84.5 | Confident | 81 Ų | 81 | 48.7 Ų | 48.7 | 57% | 0.566 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 116.8 | 176.5 | 179.6 | 0 | 0 | 0 | 0 | 110.5 | T648 | T648-S656 WeakPolarHBondContact CG2-OG 3.05Å |
| 657 | L | 94.3 | Very high | 82.3 | Confident | 53 Ų | 53 | 50.6 Ų | 50.6 | 28% | 0.277 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -44.3 | 176.5 | -56.2 | 176.1 | 0 | 0 | 0 | 111.5 | L649 E655 P684 V686 F688 | L649-L657 WeakPolarHBondContact O-CB 3.28Å; L649-L657 PolarHBondContact O-N 3.14Å; E655-L657 HydrophobicContact CG-CD2 4.04Å; E655-L657 PolarHBondContact O-N 3.38Å; L657-P684 HydrophobicContact CB-CG 4.45Å; L657-P684 HydrophobicContact CD1-CB 4.04Å; L657-P684 HydrophobicContact CD1-CG 4.16Å; L657-V686 HydrophobicContact CD1-CG2 3.71Å; L657-V686 HydrophobicContact CD2-CG2 4.34Å; L657-F688 HydrophobicContact CD1-CB 3.93Å |
| 658 | Q | 94.5 | Very high | 79.9 | Confident | 16 Ų | 16 | 53.6 Ų | 53.6 | 8% | 0.075 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 133.3 | 179.7 | -171.8 | 176.3 | 13.9 | 0 | 0 | 110.8 | T648 L649 V660 D681 Y682 | T648-Q658 CarbonylContact C-O 3.56Å; T648-Q658 WeakPolarHBondContact CA-O 3.26Å; L649-Q658 HydrophobicContact CB-CB 4.49Å; L649-Q658 HydrophobicContact CD1-CB 4.38Å; L649-Q658 HydrophobicContact CG-CB 4.48Å; L649-Q658 PolarHBondContact N-O 3.3Å; Q658-V660 HydrophobicContact CG-CG2 4.24Å; Q658-D681 PolarHBondContact NE2-OD2 3.37Å; Q658-Y682 PolarHBondContact OE1-O 3.25Å |
| 659 | E | 94.5 | Very high | 77.3 | Confident | 132 Ų | 132 | 56.3 Ų | 56.3 | 62% | 0.617 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 130.8 | 166.5 | -170.9 | -179.3 | -103.6 | 0 | 0 | 109.4 | Y646 | Y646-E659 HydrophobicContact CD1-CG 4.28Å |
| 660 | V | 92.7 | Very high | 74.6 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.012 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 110.1 | -175.3 | 176.5 | 0 | 0 | 0 | 0 | 107.5 | A647 L649 Q658 L662 V680 | A647-V660 HydrophobicContact CB-CB 4.31Å; A647-V660 PolarHBondContact N-O 2.78Å; A647-V660 PolarHBondContact O-N 3.48Å; L649-V660 HydrophobicContact CG-CG2 4.49Å; Q658-V660 HydrophobicContact CG-CG2 4.24Å; V660-L662 HydrophobicContact CG1-CD2 4.25Å; V660-L662 PolarHBondContact O-N 3.09Å; V660-V680 HydrophobicContact CG1-CG2 4.18Å; V660-V680 HydrophobicContact CG2-CG2 3.99Å |
| 661 | K | 88.9 | Confident | 72.3 | Confident | 114 Ų | 114 | 65.7 Ų | 65.7 | 50% | 0.496 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 123.7 | 175.1 | -177 | -176.5 | 175.6 | -166.4 | 0 | 109.7 | Y646 N663 G678 | Y646-K661 HydrophobicContact CD1-CB 4.19Å; Y646-K661 HydrophobicContact CD1-CG 4.29Å; Y646-K661 HydrophobicContact CE1-CB 4.12Å; Y646-K661 HydrophobicContact CE1-CG 3.9Å; K661-N663 WeakPolarHBondContact CE-OD1 3.34Å; K661-G678 VanDerWaalsContact O-CA 3.27Å; K661-G678 WeakPolarHBondContact O-CA 3.41Å |
| 662 | L | 84.8 | Confident | 70.4 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 2% | 0.016 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -93.1 | 124.7 | 174.1 | -50.5 | 174.6 | 0 | 0 | 0 | 108.7 | L632 F645 A647 V660 L676 L692 | L632-L662 HydrophobicContact CB-CD1 4.41Å; L632-L662 HydrophobicContact CD1-CD1 3.54Å; L632-L662 HydrophobicContact CD1-CD2 3.73Å; L632-L662 HydrophobicContact CD1-CG 4.29Å; F645-L662 HydrophobicContact CB-CB 4.3Å; F645-L662 HydrophobicContact CB-CD1 3.97Å; F645-L662 WeakPolarHBondContact O-CB 3.26Å; F645-L662 PolarHBondContact O-N 3.01Å; A647-L662 HydrophobicContact CB-CD1 4.12Å; A647-L662 HydrophobicContact CB-CD2 4.01Å; A647-L662 HydrophobicContact CB-CG 4.25Å; V660-L662 HydrophobicContact CG1-CD2 4.25Å; V660-L662 PolarHBondContact O-N 3.09Å; L662-L676 HydrophobicContact CB-CB 4.14Å; L662-L676 HydrophobicContact CD1-CB 4.23Å; L662-L676 HydrophobicContact CD1-CD1 4.35Å; L662-L692 HydrophobicContact CD1-CD1 3.99Å |
| 663 | N | 76.6 | Confident | 69.3 | Low | 82 Ų | 82 | 65.4 Ų | 65.4 | 44% | 0.439 | 38% | 0.375 | S | S | . | . | B | Isolated β-bridge | trans | -93 | 124.3 | 173.2 | -60.7 | -57.1 | 0 | 0 | 0 | 108.7 | K661 V677 | K661-N663 WeakPolarHBondContact CE-OD1 3.34Å; N663-V677 PolarHBondContact N-O 2.87Å; N663-V677 PolarHBondContact O-N 3.29Å |
| 664 | Q | 66.9 | Low | 68.6 | Low | 72 Ų | 72 | 61.8 Ų | 61.8 | 34% | 0.336 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 162.7 | 161.7 | -76.7 | 176 | -35.2 | 0 | 0 | 110.3 | P641 E674 L676 | P641-Q664 PolarHBondContact O-NE2 3.31Å; Q664-E674 WeakPolarHBondContact CA-OE1 3.45Å; Q664-E674 WeakPolarHBondContact CB-OE1 3.26Å; Q664-E674 VanDerWaalsContact CG-OE1 3.3Å; Q664-E674 WeakPolarHBondContact CG-OE1 3.22Å; Q664-L676 HydrophobicContact CB-CD2 4.42Å; Q664-L676 HydrophobicContact CG-CD2 3.53Å |
| 665 | S | 52.4 | Low | 68.3 | Low | 26 Ų | 26 | 61.6 Ų | 61.6 | 18% | 0.182 | 35% | 0.351 | C | S | . | . | trans | -129.7 | 138 | 164.8 | -149.8 | 0 | 0 | 0 | 0 | 113.1 | F35 E674 | F35-S665 WeakPolarHBondContact CZ-OG 3.32Å; S665-E674 PolarHBondContact N-OE1 3.21Å | ||
| 666 | S | 42.4 | Very low | 68 | Low | 100 Ų | 100 | 58.2 Ų | 58.2 | 70% | 0.699 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -53.6 | 136.7 | -160.2 | -11.1 | 0 | 0 | 0 | 0 | 115.2 | V668 | S666-V668 PolarHBondContact O-N 2.89Š|
| 667 | S | 43.8 | Very low | 67.7 | Low | 118 Ų | 118 | 54.4 Ų | 54.4 | 83% | 0.825 | 31% | 0.308 | S | S | * | . | trans | 51.2 | 54.1 | 160.1 | 61.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 668 | V | 42.5 | Very low | 67.5 | Low | 63 Ų | 63 | 52 Ų | 52 | 38% | 0.382 | 30% | 0.296 | S | S | . | . | trans | -67.7 | 135.1 | 160.9 | -179.3 | 0 | 0 | 0 | 0 | 109 | S666 S672 E674 | S666-V668 PolarHBondContact O-N 2.89Å; V668-S672 WeakPolarHBondContact CG1-OG 3.38Å; V668-E674 HydrophobicContact CG2-CG 4.44Å | ||
| 669 | P | 40.5 | Very low | 67.3 | Low | 66 Ų | 66 | 55.8 Ų | 55.8 | 43% | 0.429 | 31% | 0.312 | S | S | . | . | trans | -63.7 | 149.5 | 173.8 | 25.8 | -32.7 | 0 | 0 | 0 | 110.9 | H671 S672 | P669-H671 PolarHBondContact O-N 2.73Å; P669-S672 PolarHBondContact O-N 3.39Å; P669-S672 PolarHBondContact O-OG 2.83Å | ||
| 670 | A | 38.5 | Very low | 67.3 | Low | 70 Ų | 70 | 49.5 Ų | 49.5 | 58% | 0.579 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 14.6 | -166.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 671 | H | 44.4 | Very low | 67.1 | Low | 136 Ų | 136 | 54.1 Ų | 54.1 | 63% | 0.63 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.4 | 5.5 | -175.2 | -56.8 | -34.7 | 0 | 0 | 0 | 114.2 | I58 P669 | I58-H671 WeakPolarHBondContact CD1-O 3.48Å; P669-H671 PolarHBondContact O-N 2.73Å |
| 672 | S | 51.9 | Low | 67.4 | Low | 21 Ų | 21 | 54.8 Ų | 54.8 | 15% | 0.147 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -107.5 | 151 | 173.1 | 3.2 | 0 | 0 | 0 | 0 | 111 | E54 Q55 V668 P669 E674 | E54-S672 WeakPolarHBondContact OE1-CA 3.43Å; Q55-S672 PolarHBondContact NE2-OG 2.85Å; V668-S672 WeakPolarHBondContact CG1-OG 3.38Å; P669-S672 PolarHBondContact O-N 3.39Å; P669-S672 PolarHBondContact O-OG 2.83Å; S672-E674 PolarHBondContact O-N 3.38Å |
| 673 | L | 60.1 | Low | 67.9 | Low | 17 Ų | 17 | 54.7 Ų | 54.7 | 9% | 0.089 | 31% | 0.307 | C | S | . | . | trans | -68.7 | 123.3 | 170.1 | -72.6 | 170.5 | 0 | 0 | 0 | 110.3 | E54 W87 T633 | E54-L673 PolarHBondContact OE1-N 3.07Å; W87-L673 HydrophobicContact CB-CD1 3.98Å; W87-L673 HydrophobicContact CB-CD2 4.38Å; W87-L673 HydrophobicContact CD2-CD1 3.75Å; W87-L673 HydrophobicContact CD2-CD2 3.73Å; W87-L673 HydrophobicContact CD2-CG 3.77Å; W87-L673 HydrophobicContact CE3-CD1 3.23Å; W87-L673 HydrophobicContact CE3-CD2 3.93Å; W87-L673 HydrophobicContact CE3-CG 3.4Å; W87-L673 VanDerWaalsContact CE3-CG 3.4Å; W87-L673 HydrophobicContact CG-CD1 4.11Å; W87-L673 HydrophobicContact CG-CD2 3.97Å; W87-L673 HydrophobicContact CG-CG 4.37Å; W87-L673 HydrophobicContact CH2-CG 4.15Å; W87-L673 HydrophobicContact CZ2-CD2 4.47Å; W87-L673 HydrophobicContact CZ3-CD1 3.83Å; W87-L673 HydrophobicContact CZ3-CD2 4.33Å; W87-L673 HydrophobicContact CZ3-CG 3.59Å; T633-L673 HydrophobicContact CG2-CB 3.7Å; T633-L673 HydrophobicContact CG2-CD1 3.95Å; T633-L673 HydrophobicContact CG2-CD2 3.74Å; T633-L673 HydrophobicContact CG2-CG 4Å | ||
| 674 | E | 67.8 | Low | 68.8 | Low | 29 Ų | 29 | 51.1 Ų | 51.1 | 14% | 0.136 | 29% | 0.289 | C | S | . | . | trans | -77 | 125.8 | 172.3 | -167.9 | 176.6 | -174.3 | 0 | 0 | 110.6 | P640 Q664 S665 V668 S672 L676 | P640-E674 VanDerWaalsContact CB-OE2 3.25Å; P640-E674 WeakPolarHBondContact CB-OE2 3.25Å; P640-E674 WeakPolarHBondContact CG-OE2 3.36Å; Q664-E674 WeakPolarHBondContact CA-OE1 3.45Å; Q664-E674 WeakPolarHBondContact CB-OE1 3.26Å; Q664-E674 VanDerWaalsContact CG-OE1 3.3Å; Q664-E674 WeakPolarHBondContact CG-OE1 3.22Å; S665-E674 PolarHBondContact N-OE1 3.21Å; V668-E674 HydrophobicContact CG2-CG 4.44Å; S672-E674 PolarHBondContact O-N 3.38Å; E674-L676 HydrophobicContact CG-CD2 4.31Å | ||
| 675 | E | 76.6 | Confident | 70.1 | Confident | 20 Ų | 20 | 52.5 Ų | 52.5 | 9% | 0.093 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 111.1 | 167.3 | -75.5 | -176.5 | -178.9 | 0 | 0 | 109.9 | Q50 R91 L632 | Q50-E675 PolarHBondContact NE2-OE1 3.07Å; R91-E675 IonicContact CZ-OE1 3.91Å; R91-E675 IonicContact NH1-OE1 2.67Å; R91-E675 PolarHBondContact NH1-OE1 3.2Å; R91-E675 IonicContact NH2-OE1 3.96Å; R91-E675 PolarHBondContact NH2-OE1 2.97Å; L632-E675 WeakPolarHBondContact O-CA 3.42Å |
| 676 | L | 82.3 | Confident | 72 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 126.6 | 172 | -61.2 | 178.1 | 0 | 0 | 0 | 108.3 | L632 V634 F645 L662 Q664 E674 | L632-L676 WeakPolarHBondContact CA-O 3.29Å; L632-L676 HydrophobicContact CB-CB 4.12Å; L632-L676 WeakPolarHBondContact CB-O 3.36Å; L632-L676 PolarHBondContact N-O 2.9Å; L632-L676 PolarHBondContact O-N 3.42Å; V634-L676 HydrophobicContact CG2-CD1 3.65Å; F645-L676 HydrophobicContact CB-CD1 3.76Å; F645-L676 HydrophobicContact CD1-CD1 4.17Å; F645-L676 HydrophobicContact CD2-CD1 3.55Å; F645-L676 HydrophobicContact CD2-CD2 4.04Å; F645-L676 HydrophobicContact CD2-CG 4.47Å; F645-L676 HydrophobicContact CE2-CD1 4.12Å; F645-L676 HydrophobicContact CG-CD1 3.57Å; L662-L676 HydrophobicContact CB-CB 4.14Å; L662-L676 HydrophobicContact CD1-CB 4.23Å; L662-L676 HydrophobicContact CD1-CD1 4.35Å; Q664-L676 HydrophobicContact CB-CD2 4.42Å; Q664-L676 HydrophobicContact CG-CD2 3.53Å; E674-L676 HydrophobicContact CG-CD2 4.31Å |
| 677 | V | 86.1 | Confident | 74.4 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 135.9 | -177.3 | -175.6 | 0 | 0 | 0 | 0 | 112.1 | W36 L615 F629 L630 V631 N663 | W36-V677 HydrophobicContact CZ2-CB 3.63Å; W36-V677 HydrophobicContact CZ2-CG1 3.6Å; L615-V677 HydrophobicContact CD1-CG1 4.18Å; F629-V677 HydrophobicContact CB-CG1 4.3Å; F629-V677 HydrophobicContact CD1-CG1 4.13Å; L630-V677 WeakPolarHBondContact O-CA 3.25Å; L630-V677 WeakPolarHBondContact O-CG1 3.23Å; V631-V677 HydrophobicContact CB-CG2 4.13Å; V631-V677 HydrophobicContact CG1-CG2 3.86Å; V631-V677 HydrophobicContact CG2-CG1 4.07Å; V631-V677 HydrophobicContact CG2-CG2 3.95Å; N663-V677 PolarHBondContact N-O 2.87Å; N663-V677 PolarHBondContact O-N 3.29Å |
| 678 | G | 88.9 | Confident | 76.8 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 152.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F629 L630 K661 | F629-G678 WeakPolarHBondContact CA-O 3.44Å; L630-G678 PolarHBondContact N-O 2.96Å; L630-G678 PolarHBondContact O-N 2.97Å; L630-G678 VanDerWaalsContact O-N 3.09Å; K661-G678 VanDerWaalsContact O-CA 3.27Å; K661-G678 WeakPolarHBondContact O-CA 3.41Å |
| 679 | F | 90.9 | Very high | 79.2 | Confident | 97 Ų | 97 | 44.2 Ų | 44.2 | 43% | 0.425 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 132.6 | 171.3 | -177.6 | -111.1 | 0 | 0 | 0 | 109.4 | P627 F629 D681 | P627-F679 HydrophobicContact CB-CE2 4.05Å; P627-F679 HydrophobicContact CB-CZ 3.76Å; F629-F679 HydrophobicContact CD1-CD2 4.28Å; F629-F679 HydrophobicContact CD2-CD2 4.24Å; F629-F679 HydrophobicContact CE1-CB 4.24Å; F629-F679 AromaticContact CE1-CD2 3.85Å; F629-F679 HydrophobicContact CE1-CD2 3.85Å; F629-F679 AromaticContact CE2-CD2 3.77Å; F629-F679 HydrophobicContact CE2-CD2 3.77Å; F629-F679 HydrophobicContact CE2-CE2 4.02Å; F629-F679 HydrophobicContact CG-CD2 4.47Å; F629-F679 AromaticContact CZ-CD2 3.57Å; F629-F679 HydrophobicContact CZ-CD2 3.57Å; F629-F679 HydrophobicContact CZ-CE2 4.13Å; F679-D681 WeakPolarHBondContact CD1-OD1 3.16Å; F679-D681 HydrophobicContact CE1-CB 4.41Å; F679-D681 WeakPolarHBondContact CE1-OD1 3.42Å |
| 680 | V | 94.3 | Very high | 81.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 105 | 177.6 | -173.6 | 0 | 0 | 0 | 0 | 106.7 | F604 P627 A628 L630 L649 V660 Y682 | F604-V680 HydrophobicContact CE1-CG2 4.17Å; P627-V680 WeakPolarHBondContact CA-O 3.39Å; A628-V680 PolarHBondContact N-O 2.9Å; A628-V680 WeakPolarHBondContact O-CA 3.46Å; A628-V680 WeakPolarHBondContact O-CB 3.25Å; A628-V680 PolarHBondContact O-N 3.4Å; L630-V680 HydrophobicContact CB-CG2 3.73Å; L649-V680 HydrophobicContact CD1-CG1 4Å; V660-V680 HydrophobicContact CG1-CG2 4.18Å; V660-V680 HydrophobicContact CG2-CG2 3.99Å; V680-Y682 PolarHBondContact O-N 3.2Å |
| 681 | D | 89.4 | Confident | 84.5 | Confident | 99 Ų | 99 | 39 Ų | 39 | 53% | 0.529 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -57 | -37.1 | -172.7 | -57.3 | -68.4 | 0 | 0 | 0 | 113.1 | Q658 F679 | Q658-D681 PolarHBondContact NE2-OD2 3.37Å; F679-D681 WeakPolarHBondContact CD1-OD1 3.16Å; F679-D681 HydrophobicContact CE1-CB 4.41Å; F679-D681 WeakPolarHBondContact CE1-OD1 3.42Å |
| 682 | Y | 93.9 | Very high | 86.8 | Confident | 127 Ų | 127 | 32.5 Ų | 32.5 | 50% | 0.498 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -151.2 | 127.5 | 173.5 | 54.6 | -84.9 | 0 | 0 | 0 | 108.6 | Q658 V680 | Q658-Y682 PolarHBondContact OE1-O 3.25Å; V680-Y682 PolarHBondContact O-N 3.2Å |
| 683 | V | 96.1 | Very high | 88.6 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | trans | -64.3 | 129 | 170.2 | 172.6 | 0 | 0 | 0 | 0 | 108.2 | F604 P622 V623 G625 A626 A628 F688 P712 | F604-V683 HydrophobicContact CE1-CG2 4.44Å; P622-V683 HydrophobicContact CB-CG1 3.99Å; P622-V683 HydrophobicContact CB-CG2 4.09Å; P622-V683 HydrophobicContact CG-CG1 3.87Å; V623-V683 WeakPolarHBondContact O-CB 3.34Å; G625-V683 WeakPolarHBondContact CA-O 3.39Å; G625-V683 PolarHBondContact N-O 3.46Å; A626-V683 WeakPolarHBondContact O-CG2 3.37Å; A626-V683 PolarHBondContact O-N 3.25Å; A628-V683 HydrophobicContact CB-CG2 3.76Å; V683-F688 HydrophobicContact CG1-CE1 3.91Å; V683-F688 HydrophobicContact CG1-CZ 4.27Å; V683-P712 HydrophobicContact CG1-CB 3.97Å; V683-P712 HydrophobicContact CG1-CG 4.11Å | ||
| 684 | P | 95.6 | Very high | 89.9 | Confident | 8 Ų | 8 | 32.1 Ų | 32.1 | 5% | 0.052 | 17% | 0.172 | C | C | . | . | trans | -53.5 | 149.3 | 178.4 | -27.2 | 32.6 | 0 | 0 | 0 | 113.2 | L649 L657 V686 F688 P712 | L649-P684 HydrophobicContact CB-CG 4.37Å; L649-P684 HydrophobicContact CD1-CG 3.72Å; L657-P684 HydrophobicContact CB-CG 4.45Å; L657-P684 HydrophobicContact CD1-CB 4.04Å; L657-P684 HydrophobicContact CD1-CG 4.16Å; P684-V686 VanDerWaalsContact C-N 3.33Å; P684-V686 HydrophobicContact CB-CG2 4.41Å; P684-F688 HydrophobicContact CB-CD1 3.82Å; P684-F688 HydrophobicContact CB-CE1 4.19Å; P684-F688 HydrophobicContact CG-CD1 3.81Å; P684-F688 HydrophobicContact CG-CE1 4Å; P684-F688 HydrophobicContact CG-CG 4.44Å; P684-P712 WeakPolarHBondContact O-CB 3.49Å; P684-P712 WeakPolarHBondContact O-CG 3.49Å | ||
| 685 | T | 93.6 | Very high | 90.5 | Very high | 101 Ų | 101 | 33.5 Ų | 33.5 | 62% | 0.62 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -89.3 | -1.2 | 176.8 | 52.8 | 0 | 0 | 0 | 0 | 113.3 | A624 | A624-T685 HydrophobicContact CB-CG2 4.38Š|
| 686 | V | 92.8 | Very high | 90.2 | Very high | 67 Ų | 67 | 32.9 Ų | 32.9 | 41% | 0.406 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -112.5 | 155.8 | 177.2 | -63.5 | 0 | 0 | 0 | 0 | 110.3 | L657 P684 F688 | L657-V686 HydrophobicContact CD1-CG2 3.71Å; L657-V686 HydrophobicContact CD2-CG2 4.34Å; P684-V686 VanDerWaalsContact C-N 3.33Å; P684-V686 HydrophobicContact CB-CG2 4.41Å; V686-F688 PolarHBondContact O-N 3.36Å |
| 687 | P | 92.3 | Very high | 89.4 | Confident | 59 Ų | 59 | 37.5 Ų | 37.5 | 38% | 0.383 | 21% | 0.209 | S | C | . | . | trans | -60.6 | 136.6 | 176.5 | -23.5 | 34.5 | 0 | 0 | 0 | 112.4 | I710 Q711 | P687-I710 WeakPolarHBondContact CA-O 3.2Å; P687-I710 WeakPolarHBondContact CB-O 3.41Å; P687-Q711 HydrophobicContact CB-CG 4.49Å | ||
| 688 | F | 94 | Very high | 88.7 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -142.1 | 161.5 | -176.2 | 67.9 | -100.5 | 0 | 0 | 0 | 113.2 | F604 P622 L649 L650 L657 V683 P684 V686 V690 I710 P712 | F604-F688 HydrophobicContact CE1-CZ 4.42Å; F604-F688 AromaticContact CE2-CE2 3.93Å; F604-F688 HydrophobicContact CE2-CE2 3.93Å; F604-F688 HydrophobicContact CE2-CZ 4Å; F604-F688 AromaticContact CZ-CE2 3.69Å; F604-F688 HydrophobicContact CZ-CE2 3.69Å; F604-F688 AromaticContact CZ-CZ 3.63Å; F604-F688 HydrophobicContact CZ-CZ 3.63Å; P622-F688 HydrophobicContact CG-CZ 4.41Å; L649-F688 HydrophobicContact CB-CD2 4.26Å; L649-F688 HydrophobicContact CD1-CE2 4.35Å; L649-F688 HydrophobicContact CD1-CZ 4.43Å; L649-F688 HydrophobicContact CD2-CD2 4.07Å; L649-F688 HydrophobicContact CD2-CE2 3.86Å; L650-F688 CarbonylContact O-C 3.56Å; L650-F688 WeakPolarHBondContact O-CA 3.46Å; L650-F688 WeakPolarHBondContact O-CB 3.39Å; L657-F688 HydrophobicContact CD1-CB 3.93Å; V683-F688 HydrophobicContact CG1-CE1 3.91Å; V683-F688 HydrophobicContact CG1-CZ 4.27Å; P684-F688 HydrophobicContact CB-CD1 3.82Å; P684-F688 HydrophobicContact CB-CE1 4.19Å; P684-F688 HydrophobicContact CG-CD1 3.81Å; P684-F688 HydrophobicContact CG-CE1 4Å; P684-F688 HydrophobicContact CG-CG 4.44Å; V686-F688 PolarHBondContact O-N 3.36Å; F688-V690 HydrophobicContact CE2-CG2 4.27Å; F688-I710 HydrophobicContact CD2-CB 4.43Å; F688-I710 HydrophobicContact CD2-CD1 4.28Å; F688-I710 HydrophobicContact CE1-CG2 4.22Å; F688-I710 HydrophobicContact CE2-CB 4.2Å; F688-I710 HydrophobicContact CE2-CD1 3.58Å; F688-I710 HydrophobicContact CE2-CG1 4.46Å; F688-I710 HydrophobicContact CE2-CG2 4.42Å; F688-I710 HydrophobicContact CZ-CB 4.29Å; F688-I710 HydrophobicContact CZ-CD1 4.07Å; F688-I710 HydrophobicContact CZ-CG2 4.02Å; F688-I710 PolarHBondContact N-O 3.17Å; F688-I710 VanDerWaalsContact N-O 3.14Å; F688-I710 PolarHBondContact O-N 3.15Å; F688-P712 HydrophobicContact CD1-CG 3.67Å; F688-P712 HydrophobicContact CE1-CG 3.35Å; F688-P712 HydrophobicContact CZ-CG 4.41Å |
| 689 | S | 94.3 | Very high | 87.9 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 161.9 | 165.4 | 59.4 | 0 | 0 | 0 | 0 | 110.3 | L650 S706 | L650-S689 PolarHBondContact N-O 2.71Å; L650-S689 PolarHBondContact O-N 3.27Å; S689-S706 WeakPolarHBondContact CB-OG 3.15Å |
| 690 | V | 95.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 124.7 | 176.2 | 179.8 | 0 | 0 | 0 | 0 | 108.6 | F600 Y602 F604 L630 A647 L649 F688 V705 S706 I710 | F600-V690 HydrophobicContact CE2-CB 4.47Å; F600-V690 HydrophobicContact CE2-CG1 4.19Å; F600-V690 HydrophobicContact CZ-CG1 4.48Å; F600-V690 WeakPolarHBondContact CZ-O 3.44Å; Y602-V690 HydrophobicContact CD2-CB 4.48Å; Y602-V690 HydrophobicContact CD2-CG2 3.94Å; Y602-V690 HydrophobicContact CE2-CB 4.23Å; Y602-V690 HydrophobicContact CE2-CG2 3.5Å; F604-V690 HydrophobicContact CE2-CG2 4.38Å; L630-V690 HydrophobicContact CD2-CG1 4.13Å; A647-V690 HydrophobicContact CB-CG1 4.36Å; L649-V690 HydrophobicContact CD2-CG2 4.01Å; F688-V690 HydrophobicContact CE2-CG2 4.27Å; V690-V705 CarbonylContact O-C 3.59Å; V690-S706 PolarHBondContact N-OG 1.87Å; V690-S706 PolarHBondContact O-N 2.93Å; V690-I710 HydrophobicContact CG2-CD1 4.43Å |
| 691 | Q | 95 | Very high | 86.9 | Confident | 26 Ų | 26 | 53.5 Ų | 53.5 | 12% | 0.121 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 123.1 | 169.4 | 178 | -178.2 | 63 | 0 | 0 | 109.8 | A647 T648 L650 R704 V705 | A647-Q691 CarbonylContact C-O 3.59Å; A647-Q691 VanDerWaalsContact CA-O 3.23Å; A647-Q691 WeakPolarHBondContact CA-O 3.14Å; T648-Q691 PolarHBondContact N-O 3.04Å; T648-Q691 PolarHBondContact O-N 2.82Å; L650-Q691 HydrophobicContact CD1-CB 3.68Å; L650-Q691 HydrophobicContact CD1-CG 4.3Å; L650-Q691 HydrophobicContact CG-CB 3.9Å; Q691-R704 CarbonylContact C-O 3.6Å; Q691-R704 WeakPolarHBondContact CA-O 3.22Å; Q691-R704 WeakPolarHBondContact CG-O 3.47Å; Q691-V705 HydrophobicContact CB-CG2 4.19Å; Q691-V705 HydrophobicContact CG-CG2 4.05Å |
| 692 | L | 92.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 130.9 | 164.5 | 176.6 | 67.9 | 0 | 0 | 0 | 109.3 | F600 V634 F645 L662 L702 E703 R704 | F600-L692 HydrophobicContact CB-CD2 3.92Å; F600-L692 HydrophobicContact CD1-CB 3.68Å; F600-L692 HydrophobicContact CD1-CD2 4.09Å; F600-L692 HydrophobicContact CE1-CB 3.88Å; F600-L692 HydrophobicContact CG-CB 4.12Å; F600-L692 HydrophobicContact CG-CD2 4.22Å; F600-L692 HydrophobicContact CZ-CB 4.46Å; V634-L692 HydrophobicContact CG2-CD2 3.82Å; F645-L692 HydrophobicContact CB-CD1 4.37Å; F645-L692 HydrophobicContact CD1-CD1 3.95Å; L662-L692 HydrophobicContact CD1-CD1 3.99Å; L692-L702 HydrophobicContact CD2-CD1 4.42Å; L692-E703 CarbonylContact O-C 3.48Å; L692-E703 VanDerWaalsContact O-CA 3.27Å; L692-E703 WeakPolarHBondContact O-CA 3.05Å; L692-R704 HydrophobicContact CB-CB 4.45Å; L692-R704 PolarHBondContact N-O 3.47Å; L692-R704 PolarHBondContact O-N 3.04Å |
| 693 | A | 89.7 | Confident | 86.6 | Confident | 23 Ų | 23 | 44.5 Ų | 44.5 | 19% | 0.19 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 134.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y646 L702 E703 | Y646-A693 PolarHBondContact N-O 2.9Å; Y646-A693 PolarHBondContact O-N 3.49Å; Y646-A693 VanDerWaalsContact O-O 3.07Å; A693-L702 WeakPolarHBondContact CA-O 3.48Å; A693-E703 HydrophobicContact CB-CG 4.49Å |
| 694 | G | 85.8 | Confident | 86.5 | Confident | 8 Ų | 8 | 44.4 Ų | 44.4 | 8% | 0.082 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | -164.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | K701 L702 | G694-K701 CarbonylContact O-C 3.56Å; G694-K701 VanDerWaalsContact O-CA 3.3Å; G694-K701 WeakPolarHBondContact O-CA 3.25Å; G694-L702 PolarHBondContact N-O 3.39Å; G694-L702 PolarHBondContact O-N 2.69Å |
| 695 | L | 80.7 | Confident | 86.4 | Confident | 58 Ų | 58 | 44.2 Ų | 44.2 | 30% | 0.304 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 145.2 | 172.4 | -59.5 | -179 | 0 | 0 | 0 | 110.4 | P641 K700 K701 L702 | P641-L695 HydrophobicContact CG-CB 4.49Å; P641-L695 WeakPolarHBondContact CG-O 3.43Å; L695-K700 CarbonylContact C-O 3.56Å; L695-K700 WeakPolarHBondContact CA-O 3.36Å; L695-K701 HydrophobicContact CD2-CG 4.05Å; L695-L702 WeakPolarHBondContact O-CD2 3.45Å |
| 696 | D | 70.6 | Confident | 86.4 | Confident | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.037 | 22% | 0.219 | C | C | . | . | trans | -80.9 | 174.8 | 170.2 | 72.2 | 15 | 0 | 0 | 0 | 111.3 | S520 R698 G699 K700 L702 | S520-D696 WeakPolarHBondContact CB-OD2 3.41Å; S520-D696 PolarHBondContact OG-OD2 2.81Å; D696-R698 PolarHBondContact O-N 3.27Å; D696-R698 VanDerWaalsContact OD1-CA 3.24Å; D696-R698 WeakPolarHBondContact OD1-CA 3.4Å; D696-R698 WeakPolarHBondContact OD1-CB 3.14Å; D696-R698 PolarHBondContact OD1-N 2.9Å; D696-G699 PolarHBondContact O-N 3.13Å; D696-G699 PolarHBondContact OD1-N 3.26Å; D696-G699 VanDerWaalsContact OD1-N 3.08Å; D696-K700 PolarHBondContact N-O 3.03Å; D696-K700 PolarHBondContact OD1-N 2.74Å; D696-L702 HydrophobicContact CB-CD2 4.22Å | ||
| 697 | S | 66.7 | Low | 86 | Confident | 98 Ų | 98 | 38 Ų | 38 | 69% | 0.685 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -5.6 | 177.5 | 54.9 | 0 | 0 | 0 | 0 | 114.3 | ||
| 698 | R | 69.9 | Low | 85.9 | Confident | 167 Ų | 167 | 35.7 Ų | 35.7 | 63% | 0.63 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | 11.1 | 175 | -64.6 | -177.2 | -86.8 | -148 | -11.8 | 111.9 | S520 D696 K700 | S520-R698 PolarHBondContact O-NH2 3.07Å; S520-R698 VanDerWaalsContact OG-CZ 3.22Å; S520-R698 PolarHBondContact OG-NE 3.12Å; S520-R698 PolarHBondContact OG-NH2 3Å; D696-R698 PolarHBondContact O-N 3.27Å; D696-R698 VanDerWaalsContact OD1-CA 3.24Å; D696-R698 WeakPolarHBondContact OD1-CA 3.4Å; D696-R698 WeakPolarHBondContact OD1-CB 3.14Å; D696-R698 PolarHBondContact OD1-N 2.9Å; R698-K700 VanDerWaalsContact C-N 3.27Å; R698-K700 PolarHBondContact O-N 3.3Å |
| 699 | G | 73.3 | Confident | 85.7 | Confident | 51 Ų | 51 | 36.3 Ų | 36.3 | 53% | 0.526 | 20% | 0.195 | S | C | . | . | S | Bend | trans | 72 | 13.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | D696 | D696-G699 PolarHBondContact O-N 3.13Å; D696-G699 PolarHBondContact OD1-N 3.26Å; D696-G699 VanDerWaalsContact OD1-N 3.08Å |
| 700 | K | 77.7 | Confident | 85.5 | Confident | 90 Ų | 90 | 36.8 Ų | 36.8 | 39% | 0.391 | 20% | 0.197 | S | C | . | . | trans | -93 | 145.7 | 176.8 | -59.1 | -163.9 | -60.8 | 178.2 | 0 | 110.5 | A575 L695 D696 R698 L702 | A575-K700 VanDerWaalsContact CB-NZ 3.33Å; L695-K700 CarbonylContact C-O 3.56Å; L695-K700 WeakPolarHBondContact CA-O 3.36Å; D696-K700 PolarHBondContact N-O 3.03Å; D696-K700 PolarHBondContact OD1-N 2.74Å; R698-K700 VanDerWaalsContact C-N 3.27Å; R698-K700 PolarHBondContact O-N 3.3Å; K700-L702 PolarHBondContact O-N 3.45Å | ||
| 701 | K | 85.1 | Confident | 85.3 | Confident | 128 Ų | 128 | 39.4 Ų | 39.4 | 56% | 0.557 | 21% | 0.209 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -60 | 132.9 | 178.2 | -67.1 | -171.1 | 174.7 | -164.6 | 0 | 111.4 | R517 G694 L695 | R517-K701 WeakPolarHBondContact CD-O 3.31Å; G694-K701 CarbonylContact O-C 3.56Å; G694-K701 VanDerWaalsContact O-CA 3.3Å; G694-K701 WeakPolarHBondContact O-CA 3.25Å; L695-K701 HydrophobicContact CD2-CG 4.05Å |
| 702 | L | 87.6 | Confident | 85.2 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 146.6 | 167.6 | 72.2 | 87.2 | 0 | 0 | 0 | 109.9 | D519 V598 L692 A693 G694 L695 D696 K700 | D519-L702 HydrophobicContact CB-CB 3.89Å; V598-L702 HydrophobicContact CG1-CD2 4.35Å; L692-L702 HydrophobicContact CD2-CD1 4.42Å; A693-L702 WeakPolarHBondContact CA-O 3.48Å; G694-L702 PolarHBondContact N-O 3.39Å; G694-L702 PolarHBondContact O-N 2.69Å; L695-L702 WeakPolarHBondContact O-CD2 3.45Å; D696-L702 HydrophobicContact CB-CD2 4.22Å; K700-L702 PolarHBondContact O-N 3.45Å |
| 703 | E | 91.4 | Very high | 85.3 | Confident | 34 Ų | 34 | 39.3 Ų | 39.3 | 16% | 0.159 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 136.6 | 175.6 | -69.7 | 164 | -156.3 | 0 | 0 | 108.9 | R517 L692 A693 | R517-E703 HydrophobicContact CB-CB 4.16Å; R517-E703 HydrophobicContact CB-CG 4.15Å; R517-E703 WeakPolarHBondContact CB-OE2 3.38Å; R517-E703 IonicContact CZ-OE1 3.67Å; R517-E703 IonicContact NE-OE1 3.89Å; R517-E703 PolarHBondContact NE-OE1 2.89Å; R517-E703 IonicContact NH2-OE1 3.97Å; R517-E703 PolarHBondContact NH2-OE1 2.89Å; L692-E703 CarbonylContact O-C 3.48Å; L692-E703 VanDerWaalsContact O-CA 3.27Å; L692-E703 WeakPolarHBondContact O-CA 3.05Å; A693-E703 HydrophobicContact CB-CG 4.49Å |
| 704 | R | 92.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 145.9 | 175.3 | -66.1 | -70.7 | 177.8 | -78 | -5.3 | 108.6 | D519 S521 V522 S596 V598 F600 Q691 L692 | D519-R704 IonicContact OD1-NH2 2.72Å; D519-R704 IonicContact OD2-CZ 3.95Å; D519-R704 VanDerWaalsContact OD2-CZ 3.24Å; D519-R704 IonicContact OD2-NH1 3.48Å; D519-R704 PolarHBondContact OD2-NH1 3.1Å; D519-R704 IonicContact OD2-NH2 3.69Å; D519-R704 PolarHBondContact OD2-NH2 2.67Å; S521-R704 PolarHBondContact OG-NH2 3.19Å; V522-R704 VanDerWaalsContact CG2-NH2 3.34Å; S596-R704 PolarHBondContact OG-NH2 3.06Å; V598-R704 PolarHBondContact O-NE 3.04Å; V598-R704 PolarHBondContact O-NH2 3.31Å; F600-R704 HydrophobicContact CD1-CB 3.67Å; F600-R704 HydrophobicContact CE1-CB 3.59Å; Q691-R704 CarbonylContact C-O 3.6Å; Q691-R704 WeakPolarHBondContact CA-O 3.22Å; Q691-R704 WeakPolarHBondContact CG-O 3.47Å; L692-R704 HydrophobicContact CB-CB 4.45Å; L692-R704 PolarHBondContact N-O 3.47Å; L692-R704 PolarHBondContact O-N 3.04Å |
| 705 | V | 94 | Very high | 85.8 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 139.5 | -178.3 | -175.1 | 0 | 0 | 0 | 0 | 110.1 | T500 L501 L650 V690 Q691 | T500-V705 HydrophobicContact CG2-CB 4.49Å; T500-V705 PolarHBondContact O-N 2.96Å; L501-V705 WeakPolarHBondContact O-CG2 3.34Å; L650-V705 HydrophobicContact CD1-CG2 4.32Å; V690-V705 CarbonylContact O-C 3.59Å; Q691-V705 HydrophobicContact CB-CG2 4.19Å; Q691-V705 HydrophobicContact CG-CG2 4.05Å |
| 706 | S | 93 | Very high | 86.4 | Confident | 7 Ų | 7 | 38.3 Ų | 38.3 | 5% | 0.049 | 20% | 0.198 | C | C | . | . | trans | -61.5 | 149.2 | 174.4 | 68.4 | 0 | 0 | 0 | 0 | 110.6 | S689 V690 E708 | S689-S706 WeakPolarHBondContact CB-OG 3.15Å; V690-S706 PolarHBondContact N-OG 1.87Å; V690-S706 PolarHBondContact O-N 2.93Å; S706-E708 PolarHBondContact OG-O 2.85Å | ||
| 707 | T | 85.4 | Confident | 87.5 | Confident | 31 Ų | 31 | 38 Ų | 38 | 19% | 0.19 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -76.2 | -46.1 | -173.9 | 51.9 | 0 | 0 | 0 | 0 | 110.5 | K431 G472 | K431-T707 HydrophobicContact CD-CG2 4.4Å; G472-T707 WeakPolarHBondContact CA-O 3.46Å |
| 708 | E | 89.3 | Confident | 88.6 | Confident | 10 Ų | 10 | 36.4 Ų | 36.4 | 5% | 0.047 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -78.7 | 152.7 | -178.7 | 74.8 | -78.6 | -159.6 | 0 | 0 | 113.5 | L426 R429 V470 Y602 S706 | L426-E708 HydrophobicContact CD2-CB 3.84Å; L426-E708 HydrophobicContact CD2-CG 4.22Å; R429-E708 WeakPolarHBondContact CD-OE1 3.41Å; R429-E708 IonicContact CZ-OE1 2.57Å; R429-E708 IonicContact NE-OE1 3.62Å; R429-E708 PolarHBondContact NE-OE1 2.88Å; R429-E708 IonicContact NH2-OE1 3.48Å; V470-E708 WeakPolarHBondContact O-CA 3.42Å; Y602-E708 VanDerWaalsContact CE1-OE1 3.31Å; Y602-E708 WeakPolarHBondContact CE1-OE1 3.22Å; Y602-E708 VanDerWaalsContact CZ-OE1 3.26Å; Y602-E708 VanDerWaalsContact OH-CD 3.27Å; Y602-E708 PolarHBondContact OH-OE1 3.18Å; S706-E708 PolarHBondContact OG-O 2.85Å |
| 709 | K | 89.1 | Confident | 89.6 | Confident | 14 Ų | 14 | 29 Ų | 29 | 6% | 0.061 | 15% | 0.15 | C | C | . | . | trans | -98.6 | 114.9 | 164.6 | -75.8 | -170.8 | 169.2 | -173.3 | 0 | 109.2 | L469 V470 A652 | L469-K709 HydrophobicContact CD2-CD 4.13Å; V470-K709 PolarHBondContact O-N 2.04Å; A652-K709 PolarHBondContact O-NZ 3.11Å | ||
| 710 | I | 91.6 | Very high | 90.3 | Very high | 15 Ų | 15 | 29.9 Ų | 29.9 | 8% | 0.077 | 14% | 0.141 | C | C | . | . | B | Isolated β-bridge | trans | -65.9 | 140.8 | 172.3 | -66.9 | 166.6 | 0 | 0 | 0 | 108.7 | Y602 F604 P622 P687 F688 V690 P712 | Y602-I710 HydrophobicContact CE2-CD1 3.86Å; Y602-I710 WeakPolarHBondContact OH-CD1 3.11Å; F604-I710 HydrophobicContact CD2-CD1 4.22Å; F604-I710 HydrophobicContact CE2-CD1 3.62Å; P622-I710 HydrophobicContact CG-CG2 3.82Å; P687-I710 WeakPolarHBondContact CA-O 3.2Å; P687-I710 WeakPolarHBondContact CB-O 3.41Å; F688-I710 HydrophobicContact CD2-CB 4.43Å; F688-I710 HydrophobicContact CD2-CD1 4.28Å; F688-I710 HydrophobicContact CE1-CG2 4.22Å; F688-I710 HydrophobicContact CE2-CB 4.2Å; F688-I710 HydrophobicContact CE2-CD1 3.58Å; F688-I710 HydrophobicContact CE2-CG1 4.46Å; F688-I710 HydrophobicContact CE2-CG2 4.42Å; F688-I710 HydrophobicContact CZ-CB 4.29Å; F688-I710 HydrophobicContact CZ-CD1 4.07Å; F688-I710 HydrophobicContact CZ-CG2 4.02Å; F688-I710 PolarHBondContact N-O 3.17Å; F688-I710 VanDerWaalsContact N-O 3.14Å; F688-I710 PolarHBondContact O-N 3.15Å; V690-I710 HydrophobicContact CG2-CD1 4.43Å; I710-P712 HydrophobicContact CG2-CG 4.17Å; I710-P712 WeakPolarHBondContact O-CD 3.34Å |
| 711 | Q | 91.1 | Very high | 90.6 | Very high | 56 Ų | 56 | 27.1 Ų | 27.1 | 26% | 0.262 | 13% | 0.133 | S | C | . | . | trans | -115.9 | 91.5 | 173.3 | -67.5 | -171.3 | -23.1 | 0 | 0 | 109.3 | S621 P687 | S621-Q711 WeakPolarHBondContact CB-O 3.46Å; S621-Q711 PolarHBondContact OG-O 3.24Å; S621-Q711 VanDerWaalsContact OG-O 3.12Å; P687-Q711 HydrophobicContact CB-CG 4.49Å | ||
| 712 | P | 92.8 | Very high | 90.4 | Very high | 20 Ų | 20 | 23.1 Ų | 23.1 | 13% | 0.13 | 12% | 0.12 | C | C | . | . | trans | -61.2 | 149.7 | 178.8 | -24 | 37.6 | 0 | 0 | 0 | 111.7 | A624 V683 P684 F688 I710 | A624-P712 HydrophobicContact CB-CB 3.83Å; V683-P712 HydrophobicContact CG1-CB 3.97Å; V683-P712 HydrophobicContact CG1-CG 4.11Å; P684-P712 WeakPolarHBondContact O-CB 3.49Å; P684-P712 WeakPolarHBondContact O-CG 3.49Å; F688-P712 HydrophobicContact CD1-CG 3.67Å; F688-P712 HydrophobicContact CE1-CG 3.35Å; F688-P712 HydrophobicContact CZ-CG 4.41Å; I710-P712 HydrophobicContact CG2-CG 4.17Å; I710-P712 WeakPolarHBondContact O-CD 3.34Å | ||
| 713 | T | 93.9 | Very high | 90.4 | Very high | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | B | Isolated β-bridge | trans | -155.6 | 152.8 | -167 | -175.6 | 0 | 0 | 0 | 0 | 110.8 | P622 V623 A624 V715 S805 N806 | P622-T713 PolarHBondContact O-N 2.85Å; V623-T713 CarbonylContact C-O 3.58Å; V623-T713 VanDerWaalsContact CA-O 3.25Å; V623-T713 WeakPolarHBondContact CA-O 3.36Å; A624-T713 PolarHBondContact N-O 3.4Å; T713-V715 WeakPolarHBondContact CG2-O 3.41Å; T713-S805 WeakPolarHBondContact CB-O 3.27Å; T713-S805 WeakPolarHBondContact CG2-O 3.23Å; T713-S805 PolarHBondContact OG1-O 3.19Å; T713-N806 HydrophobicContact CG2-CB 3.75Å; T713-N806 WeakPolarHBondContact CG2-ND2 3Å |
| 714 | H | 93.9 | Very high | 90.3 | Very high | 51 Ų | 51 | 25.1 Ų | 25.1 | 24% | 0.236 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -91.2 | -1.8 | 180 | -58 | 105.2 | 0 | 0 | 0 | 113.6 | A624 H740 E804 | A624-H714 PolarHBondContact O-CD2 2.93Å; H714-H740 WeakPolarHBondContact O-CA 3.38Å; H714-H740 VanDerWaalsContact O-CB 3.32Å; H714-H740 WeakPolarHBondContact O-CB 3.06Å; H714-H740 PolarHBondContact O-N 3.01Å; H714-E804 IonicContact CE1-OE1 3.17Å; H714-E804 IonicContact CG-OE1 3.66Å; H714-E804 IonicContact ND1-OE1 3.18Å; H714-E804 PolarHBondContact ND1-OE1 2.63Å |
| 715 | V | 93.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 138.3 | 177.5 | 63.6 | 0 | 0 | 0 | 0 | 111.3 | T713 I737 Y738 F746 V797 N806 | T713-V715 WeakPolarHBondContact CG2-O 3.41Å; V715-I737 HydrophobicContact CG2-CG2 3.65Å; V715-Y738 CarbonylContact C-O 3.42Å; V715-Y738 WeakPolarHBondContact CA-O 3.3Å; V715-Y738 WeakPolarHBondContact CG2-O 3.23Å; V715-F746 HydrophobicContact CB-CE1 3.65Å; V715-F746 HydrophobicContact CB-CZ 3.89Å; V715-F746 HydrophobicContact CG1-CE1 3.94Å; V715-F746 HydrophobicContact CG2-CD1 4.2Å; V715-F746 HydrophobicContact CG2-CE1 3.68Å; V715-F746 HydrophobicContact CG2-CE2 4.49Å; V715-F746 HydrophobicContact CG2-CZ 3.82Å; V715-V797 HydrophobicContact CB-CG1 4.44Å; V715-V797 HydrophobicContact CG1-CG1 3.74Å; V715-V797 HydrophobicContact CG2-CG1 3.8Å; V715-V797 HydrophobicContact CG2-CG2 4.19Å; V715-N806 HydrophobicContact CG1-CB 3.98Å; V715-N806 WeakPolarHBondContact O-CB 3.2Å; V715-N806 PolarHBondContact O-ND2 2.89Å |
| 716 | Q | 92.9 | Very high | 90.2 | Very high | 18 Ų | 18 | 26.3 Ų | 26.3 | 8% | 0.084 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 136.8 | 177.6 | 179.6 | 172.3 | 53.4 | 0 | 0 | 110.8 | V623 K718 I737 Y738 | V623-Q716 HydrophobicContact CG2-CB 4.48Å; Q716-K718 HydrophobicContact CG-CG 4.23Å; Q716-I737 CarbonylContact O-C 3.27Å; Q716-I737 WeakPolarHBondContact O-CA 3.1Å; Q716-Y738 PolarHBondContact N-O 2.89Å; Q716-Y738 PolarHBondContact O-N 2.98Å |
| 717 | I | 92.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 139.6 | 167.6 | -51.5 | -178.9 | 0 | 0 | 0 | 107.8 | F735 I737 L795 V797 A808 | I717-F735 HydrophobicContact CG2-CB 4.29Å; I717-F735 HydrophobicContact CG2-CD2 3.93Å; I717-F735 HydrophobicContact CG2-CG 4.46Å; I717-I737 HydrophobicContact CG1-CG1 4.46Å; I717-L795 HydrophobicContact CD1-CB 4.17Å; I717-L795 HydrophobicContact CG2-CD1 4.43Å; I717-V797 HydrophobicContact CD1-CB 4.07Å; I717-V797 HydrophobicContact CD1-CG1 3.81Å; I717-V797 HydrophobicContact CG1-CB 4.39Å; I717-V797 HydrophobicContact CG1-CG1 3.8Å; I717-A808 HydrophobicContact CB-CB 3.96Å; I717-A808 HydrophobicContact CD1-CB 4.48Å; I717-A808 HydrophobicContact CG2-CB 3.78Å |
| 718 | K | 90.6 | Very high | 90.4 | Very high | 65 Ų | 65 | 28 Ų | 28 | 28% | 0.283 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 129.3 | 168.4 | -62.7 | -171.6 | -172.6 | 169.5 | 0 | 110.6 | Q716 M720 F735 T736 Y738 | Q716-K718 HydrophobicContact CG-CG 4.23Å; K718-M720 PolarHBondContact O-N 3.28Å; K718-F735 CarbonylContact O-C 3.26Å; K718-F735 VanDerWaalsContact O-CA 3.29Å; K718-F735 WeakPolarHBondContact O-CA 3.45Å; K718-F735 WeakPolarHBondContact O-CB 3.42Å; K718-T736 PolarHBondContact N-O 3.23Å; K718-T736 PolarHBondContact O-N 3.26Å; K718-Y738 HydrophobicContact CB-CE2 4.18Å; K718-Y738 HydrophobicContact CD-CD2 4.11Å; K718-Y738 HydrophobicContact CD-CE2 3.62Å; K718-Y738 HydrophobicContact CG-CD2 4.13Å; K718-Y738 HydrophobicContact CG-CE2 3.9Å |
| 719 | M | 89.6 | Confident | 90.6 | Very high | 12 Ų | 12 | 31.6 Ų | 31.6 | 6% | 0.059 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 127.5 | 174.1 | -59.6 | -53.7 | -60.8 | 0 | 0 | 111.1 | E619 T722 V733 F735 L795 A808 A810 | E619-M719 PolarHBondContact OE2-N 3.18Å; M719-T722 HydrophobicContact CB-CG2 4.47Å; M719-V733 HydrophobicContact CE-CG1 3.38Å; M719-F735 HydrophobicContact SD-CB 4.13Å; M719-L795 HydrophobicContact CE-CD1 4.13Å; M719-L795 HydrophobicContact SD-CD1 3.69Å; M719-A808 HydrophobicContact SD-CB 4.18Å; M719-A810 HydrophobicContact CE-CB 4.03Å |
| 720 | M | 88.6 | Confident | 90.8 | Very high | 69 Ų | 69 | 37.2 Ų | 37.2 | 34% | 0.34 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -101.7 | -23.1 | 177.9 | -61.5 | -57.8 | -67.6 | 0 | 0 | 112.1 | A105 K718 S734 T736 | A105-M720 WeakPolarHBondContact CA-O 3.43Å; A105-M720 WeakPolarHBondContact CB-O 3.41Å; K718-M720 PolarHBondContact O-N 3.28Å; M720-S734 WeakPolarHBondContact CA-O 3.23Å; M720-S734 WeakPolarHBondContact CB-O 3.42Å; M720-S734 PolarHBondContact N-O 3.35Å; M720-T736 WeakPolarHBondContact CG-OG1 3.39Å |
| 721 | S | 83.5 | Confident | 90.9 | Very high | 32 Ų | 32 | 37.2 Ų | 37.2 | 22% | 0.224 | 20% | 0.202 | C | C | . | . | trans | -145.7 | 148.3 | 169 | 57.5 | 0 | 0 | 0 | 0 | 112 | S734 | S721-S734 PolarHBondContact N-O 2.8Å; S721-S734 VanDerWaalsContact N-O 3.17Å; S721-S734 PolarHBondContact OG-N 3.39Å; S721-S734 PolarHBondContact OG-OG 3Å | ||
| 722 | T | 82.1 | Confident | 91 | Very high | 44 Ų | 44 | 37.7 Ų | 37.7 | 27% | 0.27 | 21% | 0.209 | S | C | . | . | trans | -131.9 | 70.2 | 171.6 | 46.3 | 0 | 0 | 0 | 0 | 109.8 | M719 A810 | M719-T722 HydrophobicContact CB-CG2 4.47Å; T722-A810 HydrophobicContact CG2-CB 4.2Å | ||
| 723 | P | 87.7 | Confident | 91 | Very high | 41 Ų | 41 | 36.8 Ų | 36.8 | 27% | 0.266 | 20% | 0.203 | S | C | . | . | P | Polyproline II helix | trans | -68.5 | 168.5 | -175.8 | 31.4 | -39.5 | 0 | 0 | 0 | 113.3 | T731 V732 V733 | P723-T731 HydrophobicContact CB-CG2 3.71Å; P723-T731 HydrophobicContact CG-CG2 3.26Å; P723-V732 WeakPolarHBondContact CG-O 3.44Å; P723-V733 HydrophobicContact CG-CG2 4Å |
| 724 | Q | 88.7 | Confident | 90.9 | Very high | 36 Ų | 36 | 38 Ų | 38 | 17% | 0.168 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -79.3 | 156.8 | 169.1 | -56.9 | -171.5 | 4.8 | 0 | 0 | 111.6 | E128 T731 V815 | E128-Q724 PolarHBondContact OE1-NE2 3.22Å; Q724-T731 WeakPolarHBondContact O-CG2 3.3Å; Q724-T731 PolarHBondContact O-OG1 3.36Å; Q724-V815 HydrophobicContact CG-CG2 4.45Å; Q724-V815 VanDerWaalsContact OE1-CB 3.29Å; Q724-V815 VanDerWaalsContact OE1-CG2 3.3Å |
| 725 | L | 92 | Very high | 90.9 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -99.8 | 134.8 | 169.2 | -61.7 | -179.3 | 0 | 0 | 0 | 109.1 | T731 Y756 L779 T781 V791 L812 T813 V814 V815 | L725-T731 HydrophobicContact CD2-CG2 3.96Å; L725-Y756 HydrophobicContact CD1-CD2 4.27Å; L725-L779 HydrophobicContact CD2-CB 4.41Å; L725-L779 HydrophobicContact CD2-CD2 4.42Å; L725-T781 HydrophobicContact CB-CG2 4.18Å; L725-V791 HydrophobicContact CD1-CB 3.67Å; L725-V791 HydrophobicContact CD1-CG1 4.37Å; L725-V791 HydrophobicContact CD1-CG2 3.35Å; L725-L812 HydrophobicContact CD1-CB 3.82Å; L725-L812 HydrophobicContact CD2-CB 4.45Å; L725-L812 HydrophobicContact CD2-CD1 4.31Å; L725-L812 HydrophobicContact CG-CB 3.87Å; L725-T813 PolarHBondContact N-O 2.88Å; L725-V814 HydrophobicContact CB-CG2 3.99Å; L725-V814 HydrophobicContact CD1-CG2 4.22Å; L725-V814 CarbonylContact O-C 3.6Å; L725-V814 WeakPolarHBondContact O-CA 3.18Å; L725-V815 PolarHBondContact O-N 3.11Å |
| 726 | V | 92 | Very high | 90.9 | Very high | 29 Ų | 29 | 35.9 Ų | 35.9 | 18% | 0.176 | 20% | 0.202 | C | C | . | . | trans | -122 | 125.8 | 179.1 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | G728 H729 T781 L817 | V726-G728 PolarHBondContact O-N 3Å; V726-H729 HydrophobicContact CB-CB 4.14Å; V726-H729 WeakPolarHBondContact O-CB 3.35Å; V726-H729 PolarHBondContact O-N 2.82Å; V726-T781 VanDerWaalsContact O-CB 3.32Å; V726-T781 WeakPolarHBondContact O-CB 3.26Å; V726-L817 HydrophobicContact CG1-CB 3.79Å; V726-L817 HydrophobicContact CG1-CD1 3.89Å; V726-L817 HydrophobicContact CG1-CG 4.46Å | ||
| 727 | P | 92.7 | Very high | 90.9 | Very high | 31 Ų | 31 | 35 Ų | 35 | 20% | 0.201 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 133.2 | -179.2 | -28.8 | 35.5 | 0 | 0 | 0 | 112.9 | H729 A785 V814 V815 | P727-H729 VanDerWaalsContact C-N 3.28Å; P727-H729 PolarHBondContact O-N 3.13Å; P727-H729 PolarHBondContact O-ND1 3.14Å; P727-A785 HydrophobicContact CG-CB 4.48Å; P727-V814 HydrophobicContact CG-CG1 3.86Å; P727-V815 VanDerWaalsContact CD-O 3.27Å; P727-V815 WeakPolarHBondContact CD-O 3.27Å |
| 728 | G | 91.4 | Very high | 91 | Very high | 42 Ų | 42 | 38 Ų | 38 | 43% | 0.433 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 1.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | V726 T781 | V726-G728 PolarHBondContact O-N 3Å; G728-T781 VanDerWaalsContact CA-O 3.27Å; G728-T781 WeakPolarHBondContact CA-O 3.48Å; G728-T781 PolarHBondContact N-O 3.28Å |
| 729 | H | 92.3 | Very high | 91.2 | Very high | 86 Ų | 86 | 34.9 Ų | 34.9 | 40% | 0.398 | 20% | 0.196 | S | C | . | . | trans | -113.6 | 157.5 | -175.2 | -64.6 | 70.1 | 0 | 0 | 0 | 113.1 | V726 P727 T781 | V726-H729 HydrophobicContact CB-CB 4.14Å; V726-H729 WeakPolarHBondContact O-CB 3.35Å; V726-H729 PolarHBondContact O-N 2.82Å; P727-H729 VanDerWaalsContact C-N 3.28Å; P727-H729 PolarHBondContact O-N 3.13Å; P727-H729 PolarHBondContact O-ND1 3.14Å; H729-T781 PolarHBondContact O-N 3.46Å | ||
| 730 | H | 93.3 | Very high | 91.3 | Very high | 132 Ų | 132 | 37.2 Ų | 37.2 | 61% | 0.611 | 21% | 0.207 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 133.7 | 172.4 | -69.5 | -127.2 | 0 | 0 | 0 | 109.7 | L758 L779 | H730-L758 WeakPolarHBondContact ND1-CD1 3.36Å; H730-L779 CarbonylContact C-O 3.47Å; H730-L779 WeakPolarHBondContact CA-O 3.27Å |
| 731 | T | 93.7 | Very high | 91.4 | Very high | 15 Ų | 15 | 34.2 Ų | 34.2 | 9% | 0.092 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 132.7 | 174.9 | -62.7 | 0 | 0 | 0 | 0 | 109.5 | P723 Q724 L725 S778 L779 | P723-T731 HydrophobicContact CB-CG2 3.71Å; P723-T731 HydrophobicContact CG-CG2 3.26Å; Q724-T731 WeakPolarHBondContact O-CG2 3.3Å; Q724-T731 PolarHBondContact O-OG1 3.36Å; L725-T731 HydrophobicContact CD2-CG2 3.96Å; T731-S778 WeakPolarHBondContact O-CA 3.43Å; T731-L779 PolarHBondContact N-O 2.99Å; T731-L779 PolarHBondContact O-N 3.44Å |
| 732 | V | 93.1 | Very high | 91.7 | Very high | 66 Ų | 66 | 36.7 Ų | 36.7 | 40% | 0.4 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 130.6 | 176.2 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | P723 E776 V777 | P723-V732 WeakPolarHBondContact CG-O 3.44Å; V732-E776 HydrophobicContact CG1-CB 3.93Å; V732-E776 HydrophobicContact CG1-CG 4.2Å; V732-V777 WeakPolarHBondContact CA-O 3.19Å |
| 733 | V | 92.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 122.2 | 175.1 | -177.3 | 0 | 0 | 0 | 0 | 108.6 | M719 P723 E776 V777 L779 L793 L812 | M719-V733 HydrophobicContact CE-CG1 3.38Å; P723-V733 HydrophobicContact CG-CG2 4Å; V733-E776 WeakPolarHBondContact O-CA 3.44Å; V733-V777 HydrophobicContact CB-CG2 4.02Å; V733-V777 PolarHBondContact N-O 2.88Å; V733-V777 PolarHBondContact O-N 3.23Å; V733-L779 HydrophobicContact CG2-CD1 3.72Å; V733-L793 HydrophobicContact CB-CD2 4Å; V733-L793 HydrophobicContact CG1-CD2 3.82Å; V733-L793 HydrophobicContact CG2-CD2 4.02Å; V733-L812 HydrophobicContact CG2-CD1 3.9Å; V733-L812 HydrophobicContact CG2-CD2 4.47Å |
| 734 | S | 92.6 | Very high | 92.4 | Very high | 30 Ų | 30 | 36 Ų | 36 | 21% | 0.21 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 142.8 | -177.9 | 59.6 | 0 | 0 | 0 | 0 | 112.6 | M720 S721 | M720-S734 WeakPolarHBondContact CA-O 3.23Å; M720-S734 WeakPolarHBondContact CB-O 3.42Å; M720-S734 PolarHBondContact N-O 3.35Å; S721-S734 PolarHBondContact N-O 2.8Å; S721-S734 VanDerWaalsContact N-O 3.17Å; S721-S734 PolarHBondContact OG-N 3.39Å; S721-S734 PolarHBondContact OG-OG 3Å |
| 735 | F | 93 | Very high | 92.5 | Very high | 3 Ų | 3 | 37 Ų | 37 | 1% | 0.013 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 156 | -178.6 | 58.9 | -80.4 | 0 | 0 | 0 | 111.1 | I717 K718 M719 I737 I748 A775 V777 L795 | I717-F735 HydrophobicContact CG2-CB 4.29Å; I717-F735 HydrophobicContact CG2-CD2 3.93Å; I717-F735 HydrophobicContact CG2-CG 4.46Å; K718-F735 CarbonylContact O-C 3.26Å; K718-F735 VanDerWaalsContact O-CA 3.29Å; K718-F735 WeakPolarHBondContact O-CA 3.45Å; K718-F735 WeakPolarHBondContact O-CB 3.42Å; M719-F735 HydrophobicContact SD-CB 4.13Å; F735-I737 HydrophobicContact CD2-CG1 4.27Å; F735-I737 HydrophobicContact CE2-CD1 4.08Å; F735-I737 HydrophobicContact CE2-CG1 4.29Å; F735-I748 HydrophobicContact CE2-CG2 4.07Å; F735-I748 HydrophobicContact CZ-CG2 4.09Å; F735-A775 WeakPolarHBondContact CD1-O 3.48Å; F735-A775 HydrophobicContact CD2-CB 4.16Å; F735-A775 HydrophobicContact CE1-CB 4.08Å; F735-A775 HydrophobicContact CE2-CB 3.57Å; F735-A775 HydrophobicContact CZ-CB 3.52Å; F735-A775 PolarHBondContact N-O 3.12Å; F735-A775 PolarHBondContact O-N 3.3Å; F735-V777 HydrophobicContact CE1-CG1 4.06Å; F735-V777 HydrophobicContact CE1-CG2 4.43Å; F735-V777 HydrophobicContact CZ-CG1 4.46Å; F735-L795 HydrophobicContact CB-CD1 4.13Å; F735-L795 HydrophobicContact CD1-CD1 3.54Å; F735-L795 HydrophobicContact CD2-CD1 3.93Å; F735-L795 HydrophobicContact CE1-CD1 3.83Å; F735-L795 HydrophobicContact CE1-CD2 4.23Å; F735-L795 HydrophobicContact CE2-CD1 4.17Å; F735-L795 HydrophobicContact CG-CD1 3.6Å; F735-L795 HydrophobicContact CZ-CD1 4.13Å; F735-L795 HydrophobicContact CZ-CD2 4.37Å |
| 736 | T | 93.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.018 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 133.9 | 177.9 | -52.6 | 0 | 0 | 0 | 0 | 109.7 | K718 M720 Y738 D774 | K718-T736 PolarHBondContact N-O 3.23Å; K718-T736 PolarHBondContact O-N 3.26Å; M720-T736 WeakPolarHBondContact CG-OG1 3.39Å; T736-Y738 HydrophobicContact CG2-CD2 4.17Å; T736-Y738 HydrophobicContact CG2-CE1 4.3Å; T736-Y738 HydrophobicContact CG2-CE2 3.55Å; T736-D774 WeakPolarHBondContact CB-OD1 3.33Å; T736-D774 VanDerWaalsContact CG2-OD1 3.27Å; T736-D774 WeakPolarHBondContact CG2-OD1 3.44Å; T736-D774 PolarHBondContact OG1-OD1 3.46Å |
| 737 | I | 93.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 131.3 | 173 | -65.1 | 165.3 | 0 | 0 | 0 | 108.7 | V715 Q716 I717 F735 I748 L765 V767 S772 S773 V797 | V715-I737 HydrophobicContact CG2-CG2 3.65Å; Q716-I737 CarbonylContact O-C 3.27Å; Q716-I737 WeakPolarHBondContact O-CA 3.1Å; I717-I737 HydrophobicContact CG1-CG1 4.46Å; F735-I737 HydrophobicContact CD2-CG1 4.27Å; F735-I737 HydrophobicContact CE2-CD1 4.08Å; F735-I737 HydrophobicContact CE2-CG1 4.29Å; I737-I748 HydrophobicContact CD1-CD1 3.23Å; I737-I748 HydrophobicContact CD1-CG1 3.52Å; I737-I748 HydrophobicContact CD1-CG2 4.41Å; I737-L765 HydrophobicContact CD1-CD2 4.11Å; I737-V767 HydrophobicContact CG2-CG2 4.42Å; I737-S772 CarbonylContact O-C 3.21Å; I737-S772 WeakPolarHBondContact O-CA 3.01Å; I737-S772 WeakPolarHBondContact O-CB 3.44Å; I737-S773 PolarHBondContact N-O 3.32Å; I737-S773 PolarHBondContact O-N 3.22Å; I737-V797 HydrophobicContact CD1-CG2 4.31Å |
| 738 | Y | 93.8 | Very high | 92.5 | Very high | 61 Ų | 61 | 36.3 Ų | 36.3 | 24% | 0.239 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 132.9 | 175.3 | -64.4 | -92.1 | 0 | 0 | 0 | 109.6 | V715 Q716 K718 T736 | V715-Y738 CarbonylContact C-O 3.42Å; V715-Y738 WeakPolarHBondContact CA-O 3.3Å; V715-Y738 WeakPolarHBondContact CG2-O 3.23Å; Q716-Y738 PolarHBondContact N-O 2.89Å; Q716-Y738 PolarHBondContact O-N 2.98Å; K718-Y738 HydrophobicContact CB-CE2 4.18Å; K718-Y738 HydrophobicContact CD-CD2 4.11Å; K718-Y738 HydrophobicContact CD-CE2 3.62Å; K718-Y738 HydrophobicContact CG-CD2 4.13Å; K718-Y738 HydrophobicContact CG-CE2 3.9Å; T736-Y738 HydrophobicContact CG2-CD2 4.17Å; T736-Y738 HydrophobicContact CG2-CE1 4.3Å; T736-Y738 HydrophobicContact CG2-CE2 3.55Å |
| 739 | N | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 106.9 | 175.4 | -179.3 | 20.7 | 0 | 0 | 0 | 110 | G741 P742 F746 V767 K768 Q770 G771 | N739-G741 PolarHBondContact OD1-N 3.24Å; N739-G741 PolarHBondContact OD1-O 3.46Å; N739-P742 PolarHBondContact ND2-O 3.07Å; N739-F746 HydrophobicContact CB-CE2 3.99Å; N739-F746 HydrophobicContact CB-CZ 4.15Å; N739-V767 HydrophobicContact CB-CB 3.96Å; N739-V767 HydrophobicContact CB-CG1 3.62Å; N739-V767 PolarHBondContact ND2-O 3.34Å; N739-V767 VanDerWaalsContact ND2-O 3.09Å; N739-K768 PolarHBondContact ND2-O 2.79Å; N739-Q770 WeakPolarHBondContact O-CA 3.29Å; N739-Q770 PolarHBondContact O-N 3.02Å; N739-G771 PolarHBondContact N-O 2.77Å; N739-G771 PolarHBondContact O-N 3.04Å |
| 740 | H | 92.9 | Very high | 92.6 | Very high | 61 Ų | 61 | 33 Ų | 33 | 28% | 0.282 | 19% | 0.186 | S | C | . | . | trans | -90.5 | -1.6 | 175.7 | -58.5 | -67.3 | 0 | 0 | 0 | 113.2 | V623 H714 Q770 | V623-H740 HydrophobicContact CG1-CB 3.91Å; H714-H740 WeakPolarHBondContact O-CA 3.38Å; H714-H740 VanDerWaalsContact O-CB 3.32Å; H714-H740 WeakPolarHBondContact O-CB 3.06Å; H714-H740 PolarHBondContact O-N 3.01Å; H740-Q770 PolarHBondContact ND1-OE1 3.23Å; H740-Q770 PolarHBondContact O-NE2 2.89Å | ||
| 741 | G | 90.4 | Very high | 92.5 | Very high | 6 Ų | 6 | 27.5 Ų | 27.5 | 6% | 0.062 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -104 | -167.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N739 E769 | N739-G741 PolarHBondContact OD1-N 3.24Å; N739-G741 PolarHBondContact OD1-O 3.46Å; G741-E769 WeakPolarHBondContact O-CA 3.12Å |
| 742 | P | 90.7 | Very high | 92.4 | Very high | 84 Ų | 84 | 27 Ų | 27 | 55% | 0.545 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -57.2 | 154.1 | 175.6 | -23.9 | 34.7 | 0 | 0 | 0 | 112.9 | N739 Q744 | N739-P742 PolarHBondContact ND2-O 3.07Å; P742-Q744 PolarHBondContact O-N 3.07Å |
| 743 | A | 91.4 | Very high | 92.1 | Very high | 51 Ų | 51 | 25.2 Ų | 25.2 | 42% | 0.421 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -61 | 120.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F766 E769 | A743-F766 HydrophobicContact CB-CE2 4.34Å; A743-F766 HydrophobicContact CB-CZ 4.02Å; A743-E769 HydrophobicContact CB-CB 4.32Å |
| 744 | Q | 91.4 | Very high | 91.9 | Very high | 21 Ų | 21 | 29.6 Ų | 29.6 | 10% | 0.098 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 167.5 | -174.5 | 63.9 | -173.8 | -23.1 | 0 | 0 | 113.3 | P742 F746 V767 E804 | P742-Q744 PolarHBondContact O-N 3.07Å; Q744-F746 HydrophobicContact CG-CD2 4.29Å; Q744-F746 HydrophobicContact CG-CE1 3.98Å; Q744-F746 HydrophobicContact CG-CE2 3.6Å; Q744-F746 HydrophobicContact CG-CZ 3.44Å; Q744-F746 VanDerWaalsContact CG-CZ 3.44Å; Q744-F746 VanDerWaalsContact NE2-CZ 3.28Å; Q744-V767 PolarHBondContact N-O 2.88Å; Q744-V767 PolarHBondContact O-N 2.9Å; Q744-V767 VanDerWaalsContact O-N 3.12Å; Q744-E804 PolarHBondContact NE2-OE2 3.14Å |
| 745 | L | 92.6 | Very high | 91.7 | Very high | 57 Ų | 57 | 29.7 Ų | 29.7 | 30% | 0.298 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 121.9 | 178 | -168.8 | 69.2 | 0 | 0 | 0 | 109 | R764 F766 L800 | L745-R764 HydrophobicContact CD1-CB 4.39Å; L745-F766 HydrophobicContact CD1-CB 3.82Å; L745-L800 HydrophobicContact CB-CD1 4.15Å; L745-L800 HydrophobicContact CD2-CD1 3.55Å; L745-L800 HydrophobicContact CG-CD1 3.73Å; L745-L800 WeakPolarHBondContact O-CB 3.49Å; L745-L800 PolarHBondContact O-N 3.17Å |
| 746 | F | 92.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 142.3 | 178.6 | -63.6 | -83.5 | 0 | 0 | 0 | 110.7 | V715 N739 Q744 R764 L765 V767 V797 H798 A799 | V715-F746 HydrophobicContact CB-CE1 3.65Å; V715-F746 HydrophobicContact CB-CZ 3.89Å; V715-F746 HydrophobicContact CG1-CE1 3.94Å; V715-F746 HydrophobicContact CG2-CD1 4.2Å; V715-F746 HydrophobicContact CG2-CE1 3.68Å; V715-F746 HydrophobicContact CG2-CE2 4.49Å; V715-F746 HydrophobicContact CG2-CZ 3.82Å; N739-F746 HydrophobicContact CB-CE2 3.99Å; N739-F746 HydrophobicContact CB-CZ 4.15Å; Q744-F746 HydrophobicContact CG-CD2 4.29Å; Q744-F746 HydrophobicContact CG-CE1 3.98Å; Q744-F746 HydrophobicContact CG-CE2 3.6Å; Q744-F746 HydrophobicContact CG-CZ 3.44Å; Q744-F746 VanDerWaalsContact CG-CZ 3.44Å; Q744-F746 VanDerWaalsContact NE2-CZ 3.28Å; F746-R764 CarbonylContact O-C 3.52Å; F746-R764 VanDerWaalsContact O-CA 3.32Å; F746-R764 WeakPolarHBondContact O-CA 3.49Å; F746-L765 PolarHBondContact N-O 2.95Å; F746-L765 PolarHBondContact O-N 3.14Å; F746-V767 HydrophobicContact CD2-CB 4.17Å; F746-V767 HydrophobicContact CD2-CG2 3.97Å; F746-V767 HydrophobicContact CE2-CB 3.97Å; F746-V767 HydrophobicContact CE2-CG2 4.22Å; F746-V797 HydrophobicContact CB-CG2 3.69Å; F746-V797 HydrophobicContact CD1-CG2 3.74Å; F746-V797 HydrophobicContact CG-CG2 3.91Å; F746-H798 CarbonylContact C-O 3.42Å; F746-H798 WeakPolarHBondContact CA-O 3.48Å; F746-A799 HydrophobicContact CD1-CB 4.06Å; F746-A799 HydrophobicContact CE1-CB 3.99Å |
| 747 | N | 92.2 | Very high | 91.7 | Very high | 35 Ų | 35 | 30.8 Ų | 30.8 | 19% | 0.187 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 131.9 | 157.9 | -77.9 | -15.4 | 0 | 0 | 0 | 108.2 | P762 R764 V797 H798 L800 | N747-P762 HydrophobicContact CB-CB 4Å; N747-R764 WeakPolarHBondContact OD1-CG 3.12Å; N747-V797 WeakPolarHBondContact O-CA 3.05Å; N747-H798 PolarHBondContact N-O 2.89Å; N747-H798 PolarHBondContact O-N 3.41Å; N747-L800 WeakPolarHBondContact ND2-CD2 3.33Å |
| 748 | I | 91.6 | Very high | 91.4 | Very high | 10 Ų | 10 | 34.6 Ų | 34.6 | 5% | 0.051 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 122 | 175.5 | -54.7 | 158.4 | 0 | 0 | 0 | 107.9 | F735 I737 P762 H763 L765 T796 V797 | F735-I748 HydrophobicContact CE2-CG2 4.07Å; F735-I748 HydrophobicContact CZ-CG2 4.09Å; I737-I748 HydrophobicContact CD1-CD1 3.23Å; I737-I748 HydrophobicContact CD1-CG1 3.52Å; I737-I748 HydrophobicContact CD1-CG2 4.41Å; I748-P762 CarbonylContact O-C 3.43Å; I748-P762 WeakPolarHBondContact O-CA 3.41Å; I748-H763 HydrophobicContact CB-CB 4.43Å; I748-H763 PolarHBondContact N-O 2.91Å; I748-H763 PolarHBondContact O-N 3.44Å; I748-L765 HydrophobicContact CD1-CB 3.56Å; I748-L765 HydrophobicContact CD1-CD2 3.52Å; I748-L765 HydrophobicContact CD1-CG 4.21Å; I748-T796 WeakPolarHBondContact CA-O 3.4Å; I748-V797 HydrophobicContact CG1-CG2 4.18Å |
| 749 | T | 91.8 | Very high | 90.7 | Very high | 45 Ų | 45 | 35.1 Ų | 35.1 | 28% | 0.276 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 146.1 | 176 | 30 | 0 | 0 | 0 | 0 | 109.7 | P762 T796 | T749-P762 HydrophobicContact CG2-CB 4.03Å; T749-T796 PolarHBondContact N-O 3.19Å; T749-T796 PolarHBondContact O-N 3.44Å; T749-T796 PolarHBondContact OG1-OG1 3.26Å |
| 750 | A | 92.8 | Very high | 89.7 | Confident | 13 Ų | 13 | 42.1 Ų | 42.1 | 11% | 0.107 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 137.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | L757 V777 L793 T794 L795 | A750-L757 HydrophobicContact CB-CD1 4.05Å; A750-L757 HydrophobicContact CB-CD2 4.36Å; A750-L757 WeakPolarHBondContact O-CD1 3.12Å; A750-V777 HydrophobicContact CB-CG1 3.72Å; A750-L793 HydrophobicContact CB-CD1 4.47Å; A750-T794 WeakPolarHBondContact CA-O 3.41Å; A750-L795 HydrophobicContact CB-CD2 3.6Å |
| 751 | D | 92.8 | Very high | 88.5 | Confident | 17 Ų | 17 | 40.6 Ų | 40.6 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 154.3 | 176.8 | -158.5 | 82.7 | 0 | 0 | 0 | 110.3 | Q392 A420 L757 T794 | Q392-D751 PolarHBondContact NE2-OD2 2.97Å; A420-D751 HydrophobicContact CB-CB 4.09Å; D751-L757 VanDerWaalsContact C-CD1 3.46Å; D751-L757 VanDerWaalsContact CA-CD1 3.4Å; D751-T794 PolarHBondContact N-O 3.44Å; D751-T794 PolarHBondContact O-N 3.29Å |
| 752 | D | 91.4 | Very high | 87.8 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 138.4 | -176.5 | 86.9 | 98.1 | 0 | 0 | 0 | 111.5 | W754 G755 Y756 L757 V791 | D752-W754 PolarHBondContact O-N 3.08Å; D752-W754 VanDerWaalsContact O-N 3.14Å; D752-W754 PolarHBondContact OD1-N 3.48Å; D752-G755 PolarHBondContact O-N 2.86Å; D752-G755 VanDerWaalsContact O-N 3.11Å; D752-G755 WeakPolarHBondContact OD1-CA 3.46Å; D752-G755 PolarHBondContact OD1-N 3.01Å; D752-G755 VanDerWaalsContact OD2-C 3.25Å; D752-G755 WeakPolarHBondContact OD2-CA 3.43Å; D752-Y756 VanDerWaalsContact CG-N 3.26Å; D752-Y756 PolarHBondContact OD1-N 2.65Å; D752-Y756 PolarHBondContact OD2-N 3.42Å; D752-L757 HydrophobicContact CB-CD1 3.92Å; D752-L757 HydrophobicContact CB-CG 4.13Å; D752-L757 WeakPolarHBondContact OD2-CB 3.19Å; D752-L757 WeakPolarHBondContact OD2-CD1 3.33Å; D752-L757 VanDerWaalsContact OD2-CG 3.26Å; D752-L757 WeakPolarHBondContact OD2-CG 3.38Å; D752-L757 PolarHBondContact OD2-N 3.25Å; D752-V791 HydrophobicContact CB-CG1 3.99Å |
| 753 | D | 86.9 | Confident | 87.6 | Confident | 29 Ų | 29 | 45.1 Ų | 45.1 | 16% | 0.155 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -7.3 | -172 | 57 | -9.2 | 0 | 0 | 0 | 115.4 | S396 V791 T792 | S396-D753 VanDerWaalsContact CB-OD2 3.23Å; S396-D753 WeakPolarHBondContact CB-OD2 3.28Å; D753-V791 WeakPolarHBondContact OD1-CA 3.16Å; D753-T792 PolarHBondContact OD1-N 3.42Å; D753-T792 WeakPolarHBondContact OD2-CB 3.44Å; D753-T792 PolarHBondContact OD2-N 2.73Å; D753-T792 PolarHBondContact OD2-OG1 3.46Å |
| 754 | W | 87.8 | Confident | 87.6 | Confident | 91 Ų | 91 | 51.1 Ų | 51.1 | 35% | 0.345 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -3.2 | 173.3 | -69.7 | 86.2 | 0 | 0 | 0 | 113.8 | D752 Y756 A789 T790 V791 | D752-W754 PolarHBondContact O-N 3.08Å; D752-W754 VanDerWaalsContact O-N 3.14Å; D752-W754 PolarHBondContact OD1-N 3.48Å; W754-Y756 HydrophobicContact CB-CD1 3.72Å; W754-Y756 HydrophobicContact CB-CD2 4.33Å; W754-Y756 HydrophobicContact CB-CE1 3.46Å; W754-Y756 VanDerWaalsContact CB-CE1 3.46Å; W754-Y756 HydrophobicContact CB-CE2 4.11Å; W754-Y756 HydrophobicContact CB-CG 4.14Å; W754-Y756 HydrophobicContact CG-CE1 4.32Å; W754-Y756 WeakPolarHBondContact O-CD1 3.15Å; W754-A789 HydrophobicContact CH2-CB 4.25Å; W754-A789 HydrophobicContact CZ2-CB 3.69Å; W754-T790 PolarHBondContact NE1-O 3.47Å; W754-V791 HydrophobicContact CB-CG2 4.32Å; W754-V791 HydrophobicContact CG-CG2 4.09Å |
| 755 | G | 89 | Confident | 87.6 | Confident | 32 Ų | 32 | 52 Ų | 52 | 33% | 0.33 | 27% | 0.266 | S | S | . | . | trans | 69.5 | 23.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | D752 L757 R760 | D752-G755 PolarHBondContact O-N 2.86Å; D752-G755 VanDerWaalsContact O-N 3.11Å; D752-G755 WeakPolarHBondContact OD1-CA 3.46Å; D752-G755 PolarHBondContact OD1-N 3.01Å; D752-G755 VanDerWaalsContact OD2-C 3.25Å; D752-G755 WeakPolarHBondContact OD2-CA 3.43Å; G755-L757 VanDerWaalsContact C-N 3.32Å; G755-L757 PolarHBondContact O-N 3.29Å; G755-R760 PolarHBondContact O-NH2 3.49Å | ||
| 756 | Y | 92.8 | Very high | 87.5 | Confident | 19 Ų | 19 | 55 Ų | 55 | 8% | 0.075 | 28% | 0.277 | C | S | . | . | trans | -75.6 | -11.4 | -178.2 | -64.8 | -0.4 | 0 | 0 | 0 | 114 | L725 D752 W754 L758 L779 L780 T781 P782 A785 V791 V814 | L725-Y756 HydrophobicContact CD1-CD2 4.27Å; D752-Y756 VanDerWaalsContact CG-N 3.26Å; D752-Y756 PolarHBondContact OD1-N 2.65Å; D752-Y756 PolarHBondContact OD2-N 3.42Å; W754-Y756 HydrophobicContact CB-CD1 3.72Å; W754-Y756 HydrophobicContact CB-CD2 4.33Å; W754-Y756 HydrophobicContact CB-CE1 3.46Å; W754-Y756 VanDerWaalsContact CB-CE1 3.46Å; W754-Y756 HydrophobicContact CB-CE2 4.11Å; W754-Y756 HydrophobicContact CB-CG 4.14Å; W754-Y756 HydrophobicContact CG-CE1 4.32Å; W754-Y756 WeakPolarHBondContact O-CD1 3.15Å; Y756-L758 PolarHBondContact O-N 2.73Å; Y756-L779 CarbonylContact O-C 3.54Å; Y756-L779 WeakPolarHBondContact O-CA 3.34Å; Y756-L780 PolarHBondContact O-N 3.19Å; Y756-T781 HydrophobicContact CD2-CG2 4.27Å; Y756-T781 HydrophobicContact CE2-CG2 3.97Å; Y756-P782 VanDerWaalsContact CD1-CD 3.4Å; Y756-P782 HydrophobicContact CD1-CG 3.8Å; Y756-P782 HydrophobicContact CE1-CG 3.52Å; Y756-P782 VanDerWaalsContact CZ-CD 3.48Å; Y756-A785 HydrophobicContact CE2-CB 4.29Å; Y756-A785 WeakPolarHBondContact OH-CB 3.24Å; Y756-V791 HydrophobicContact CD2-CG2 3.74Å; Y756-V791 HydrophobicContact CE2-CG2 3.61Å; Y756-V814 HydrophobicContact CE2-CG2 4.42Å | ||
| 757 | L | 92.6 | Very high | 87.6 | Confident | 10 Ų | 10 | 55.1 Ų | 55.1 | 5% | 0.052 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -61.4 | 124.9 | 176.2 | -79.9 | 164.5 | 0 | 0 | 0 | 112.8 | A750 D751 D752 G755 R760 V777 L779 L793 | A750-L757 HydrophobicContact CB-CD1 4.05Å; A750-L757 HydrophobicContact CB-CD2 4.36Å; A750-L757 WeakPolarHBondContact O-CD1 3.12Å; D751-L757 VanDerWaalsContact C-CD1 3.46Å; D751-L757 VanDerWaalsContact CA-CD1 3.4Å; D752-L757 HydrophobicContact CB-CD1 3.92Å; D752-L757 HydrophobicContact CB-CG 4.13Å; D752-L757 WeakPolarHBondContact OD2-CB 3.19Å; D752-L757 WeakPolarHBondContact OD2-CD1 3.33Å; D752-L757 VanDerWaalsContact OD2-CG 3.26Å; D752-L757 WeakPolarHBondContact OD2-CG 3.38Å; D752-L757 PolarHBondContact OD2-N 3.25Å; G755-L757 VanDerWaalsContact C-N 3.32Å; G755-L757 PolarHBondContact O-N 3.29Å; L757-R760 HydrophobicContact CB-CG 4.41Å; L757-V777 HydrophobicContact CD2-CB 4.03Å; L757-V777 HydrophobicContact CD2-CG2 4.29Å; L757-L779 HydrophobicContact CD2-CD1 4.4Å; L757-L779 HydrophobicContact CD2-CG 4.08Å; L757-L779 HydrophobicContact CG-CG 4.44Å; L757-L793 HydrophobicContact CD1-CD1 4.13Å; L757-L793 HydrophobicContact CD2-CD1 4.08Å; L757-L793 HydrophobicContact CG-CD1 4.38Å |
| 758 | L | 88.4 | Confident | 87.7 | Confident | 80 Ų | 80 | 60.5 Ų | 60.5 | 42% | 0.419 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -73.1 | -35.9 | 178.7 | -77.3 | 170.7 | 0 | 0 | 0 | 113.4 | H730 Y756 S778 L780 | H730-L758 WeakPolarHBondContact ND1-CD1 3.36Å; Y756-L758 PolarHBondContact O-N 2.73Å; L758-S778 PolarHBondContact N-O 2.87Å; L758-L780 HydrophobicContact CD1-CB 4.05Å; L758-L780 HydrophobicContact CD2-CB 3.57Å; L758-L780 HydrophobicContact CD2-CD2 3.94Å; L758-L780 HydrophobicContact CD2-CG 4.42Å; L758-L780 HydrophobicContact CG-CB 3.73Å |
| 759 | T | 79.3 | Confident | 87.8 | Confident | 73 Ų | 73 | 66.2 Ų | 66.2 | 45% | 0.448 | 33% | 0.326 | S | S | . | . | trans | -123.7 | 106.4 | -175.9 | 49.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 760 | R | 71.9 | Confident | 87.7 | Confident | 147 Ų | 147 | 70.1 Ų | 70.1 | 56% | 0.555 | 34% | 0.341 | S | S | * | . | trans | -100.7 | 135.5 | 173.6 | -57.2 | -171.5 | -168.7 | -160.6 | 7.5 | 110 | G755 L757 | G755-R760 PolarHBondContact O-NH2 3.49Å; L757-R760 HydrophobicContact CB-CG 4.41Å | ||
| 761 | G | 67.8 | Low | 87.8 | Confident | 29 Ų | 29 | 70.4 Ų | 70.4 | 30% | 0.299 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 144.1 | 161.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | H763 | G761-H763 PolarHBondContact O-N 3.41Å; G761-H763 PolarHBondContact O-ND1 2.78Å |
| 762 | P | 77.2 | Confident | 87.9 | Confident | 81 Ų | 81 | 72.9 Ų | 72.9 | 53% | 0.526 | 36% | 0.364 | S | S | . | . | trans | -71.5 | 110.3 | 178.6 | 28.4 | -33.5 | 0 | 0 | 0 | 111.1 | N747 I748 T749 | N747-P762 HydrophobicContact CB-CB 4Å; I748-P762 CarbonylContact O-C 3.43Å; I748-P762 WeakPolarHBondContact O-CA 3.41Å; T749-P762 HydrophobicContact CG2-CB 4.03Å | ||
| 763 | H | 86.7 | Confident | 88 | Confident | 103 Ų | 103 | 74.3 Ų | 74.3 | 48% | 0.477 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 123.6 | 171.4 | -66.6 | 73.4 | 0 | 0 | 0 | 108.9 | I748 G761 | I748-H763 HydrophobicContact CB-CB 4.43Å; I748-H763 PolarHBondContact N-O 2.91Å; I748-H763 PolarHBondContact O-N 3.44Å; G761-H763 PolarHBondContact O-N 3.41Å; G761-H763 PolarHBondContact O-ND1 2.78Å |
| 764 | R | 90.7 | Very high | 88.3 | Confident | 178 Ų | 178 | 78.6 Ų | 78.6 | 67% | 0.672 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 122.9 | -178.8 | -74.3 | -179.8 | 179.6 | -178.3 | 2.9 | 110.8 | L745 F746 N747 L800 | L745-R764 HydrophobicContact CD1-CB 4.39Å; F746-R764 CarbonylContact O-C 3.52Å; F746-R764 VanDerWaalsContact O-CA 3.32Å; F746-R764 WeakPolarHBondContact O-CA 3.49Å; N747-R764 WeakPolarHBondContact OD1-CG 3.12Å; R764-L800 HydrophobicContact CG-CD1 4.38Å |
| 765 | L | 90.4 | Very high | 88.5 | Confident | 39 Ų | 39 | 75.3 Ų | 75.3 | 20% | 0.204 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 123.5 | -178.7 | -166.1 | 61.1 | 0 | 0 | 0 | 110.9 | I737 F746 I748 V767 | I737-L765 HydrophobicContact CD1-CD2 4.11Å; F746-L765 PolarHBondContact N-O 2.95Å; F746-L765 PolarHBondContact O-N 3.14Å; I748-L765 HydrophobicContact CD1-CB 3.56Å; I748-L765 HydrophobicContact CD1-CD2 3.52Å; I748-L765 HydrophobicContact CD1-CG 4.21Å; L765-V767 HydrophobicContact CD2-CG2 4.32Å; L765-V767 HydrophobicContact CG-CG2 4.14Å |
| 766 | F | 92.4 | Very high | 88.6 | Confident | 120 Ų | 120 | 80.4 Ų | 80.4 | 53% | 0.526 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 118.6 | 175.2 | 177.6 | -102.2 | 0 | 0 | 0 | 109.2 | A743 L745 K768 | A743-F766 HydrophobicContact CB-CE2 4.34Å; A743-F766 HydrophobicContact CB-CZ 4.02Å; L745-F766 HydrophobicContact CD1-CB 3.82Å; F766-K768 HydrophobicContact CE1-CG 3.9Å |
| 767 | V | 93.5 | Very high | 88.6 | Confident | 3 Ų | 3 | 80 Ų | 80 | 2% | 0.018 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 123 | 177.7 | -168.1 | 0 | 0 | 0 | 0 | 108.7 | I737 N739 Q744 F746 L765 G771 | I737-V767 HydrophobicContact CG2-CG2 4.42Å; N739-V767 HydrophobicContact CB-CB 3.96Å; N739-V767 HydrophobicContact CB-CG1 3.62Å; N739-V767 PolarHBondContact ND2-O 3.34Å; N739-V767 VanDerWaalsContact ND2-O 3.09Å; Q744-V767 PolarHBondContact N-O 2.88Å; Q744-V767 PolarHBondContact O-N 2.9Å; Q744-V767 VanDerWaalsContact O-N 3.12Å; F746-V767 HydrophobicContact CD2-CB 4.17Å; F746-V767 HydrophobicContact CD2-CG2 3.97Å; F746-V767 HydrophobicContact CE2-CB 3.97Å; F746-V767 HydrophobicContact CE2-CG2 4.22Å; L765-V767 HydrophobicContact CD2-CG2 4.32Å; L765-V767 HydrophobicContact CG-CG2 4.14Å; V767-G771 WeakPolarHBondContact CG1-O 3.47Å |
| 768 | K | 94.3 | Very high | 88.7 | Confident | 148 Ų | 148 | 81.4 Ų | 81.4 | 64% | 0.643 | 42% | 0.415 | S | S | * | . | trans | -61 | 161 | 177.9 | -64.9 | 177.7 | -177.8 | 175.5 | 0 | 110.9 | N739 F766 Q770 G771 | N739-K768 PolarHBondContact ND2-O 2.79Å; F766-K768 HydrophobicContact CE1-CG 3.9Å; K768-Q770 PolarHBondContact O-N 2.84Å; K768-G771 WeakPolarHBondContact O-CA 3.48Å; K768-G771 PolarHBondContact O-N 2.85Å | ||
| 769 | E | 92.8 | Very high | 89 | Confident | 130 Ų | 130 | 77.6 Ų | 77.6 | 61% | 0.607 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 131.9 | 169.2 | 176 | 173.5 | -171.2 | 0 | 0 | 110.5 | G741 A743 G771 | G741-E769 WeakPolarHBondContact O-CA 3.12Å; A743-E769 HydrophobicContact CB-CB 4.32Å; E769-G771 PolarHBondContact O-N 2.94Å |
| 770 | Q | 91.1 | Very high | 89.8 | Confident | 127 Ų | 127 | 77.2 Ų | 77.2 | 59% | 0.593 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 21.4 | -168.7 | -53.4 | -55.1 | -30.8 | 0 | 0 | 114.3 | N739 H740 K768 | N739-Q770 WeakPolarHBondContact O-CA 3.29Å; N739-Q770 PolarHBondContact O-N 3.02Å; H740-Q770 PolarHBondContact ND1-OE1 3.23Å; H740-Q770 PolarHBondContact O-NE2 2.89Å; K768-Q770 PolarHBondContact O-N 2.84Å |
| 771 | G | 93.8 | Very high | 90.9 | Very high | 19 Ų | 19 | 70.2 Ų | 70.2 | 20% | 0.196 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 168.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N739 V767 K768 E769 | N739-G771 PolarHBondContact N-O 2.77Å; N739-G771 PolarHBondContact O-N 3.04Å; V767-G771 WeakPolarHBondContact CG1-O 3.47Å; K768-G771 WeakPolarHBondContact O-CA 3.48Å; K768-G771 PolarHBondContact O-N 2.85Å; E769-G771 PolarHBondContact O-N 2.94Å |
| 772 | S | 95.1 | Very high | 92.1 | Very high | 69 Ų | 69 | 71 Ų | 71 | 48% | 0.483 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 161 | 168 | 62 | 0 | 0 | 0 | 0 | 110.9 | I737 | I737-S772 CarbonylContact O-C 3.21Å; I737-S772 WeakPolarHBondContact O-CA 3.01Å; I737-S772 WeakPolarHBondContact O-CB 3.44Å |
| 773 | S | 94.1 | Very high | 92.8 | Very high | 34 Ų | 34 | 71.2 Ų | 71.2 | 24% | 0.238 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 138.7 | 170.2 | -174 | 0 | 0 | 0 | 0 | 110.2 | I737 | I737-S773 PolarHBondContact N-O 3.32Å; I737-S773 PolarHBondContact O-N 3.22Å |
| 774 | D | 92.8 | Very high | 93 | Very high | 119 Ų | 119 | 72.7 Ų | 72.7 | 64% | 0.636 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 150.3 | 176.1 | -55.9 | -47.3 | 0 | 0 | 0 | 110.7 | T736 | T736-D774 WeakPolarHBondContact CB-OD1 3.33Å; T736-D774 VanDerWaalsContact CG2-OD1 3.27Å; T736-D774 WeakPolarHBondContact CG2-OD1 3.44Å; T736-D774 PolarHBondContact OG1-OD1 3.46Å |
| 775 | A | 91.1 | Very high | 93 | Very high | 22 Ų | 22 | 64.7 Ų | 64.7 | 18% | 0.182 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 159.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | F735 | F735-A775 WeakPolarHBondContact CD1-O 3.48Å; F735-A775 HydrophobicContact CD2-CB 4.16Å; F735-A775 HydrophobicContact CE1-CB 4.08Å; F735-A775 HydrophobicContact CE2-CB 3.57Å; F735-A775 HydrophobicContact CZ-CB 3.52Å; F735-A775 PolarHBondContact N-O 3.12Å; F735-A775 PolarHBondContact O-N 3.3Å |
| 776 | E | 92.6 | Very high | 93 | Very high | 138 Ų | 138 | 69.1 Ų | 69.1 | 65% | 0.645 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139 | 148.5 | -176.1 | -62.4 | -173.8 | 158.6 | 0 | 0 | 110.4 | V732 V733 | V732-E776 HydrophobicContact CG1-CB 3.93Å; V732-E776 HydrophobicContact CG1-CG 4.2Å; V733-E776 WeakPolarHBondContact O-CA 3.44Å |
| 777 | V | 92.9 | Very high | 92.7 | Very high | 11 Ų | 11 | 65.2 Ų | 65.2 | 7% | 0.067 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 144.6 | 166.4 | -67.5 | 0 | 0 | 0 | 0 | 110.6 | V732 V733 F735 A750 L757 L779 L793 L795 | V732-V777 WeakPolarHBondContact CA-O 3.19Å; V733-V777 HydrophobicContact CB-CG2 4.02Å; V733-V777 PolarHBondContact N-O 2.88Å; V733-V777 PolarHBondContact O-N 3.23Å; F735-V777 HydrophobicContact CE1-CG1 4.06Å; F735-V777 HydrophobicContact CE1-CG2 4.43Å; F735-V777 HydrophobicContact CZ-CG1 4.46Å; A750-V777 HydrophobicContact CB-CG1 3.72Å; L757-V777 HydrophobicContact CD2-CB 4.03Å; L757-V777 HydrophobicContact CD2-CG2 4.29Å; V777-L779 HydrophobicContact CG2-CD1 4.46Å; V777-L793 HydrophobicContact CG2-CD1 4.26Å; V777-L793 HydrophobicContact CG2-CD2 3.82Å; V777-L795 HydrophobicContact CG1-CD2 4.33Å; V777-L795 HydrophobicContact CG2-CD2 4.18Å |
| 778 | S | 93.4 | Very high | 92.3 | Very high | 40 Ų | 40 | 65 Ų | 65 | 28% | 0.28 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 128.6 | -179.9 | -63.5 | 0 | 0 | 0 | 0 | 111.1 | T731 L758 | T731-S778 WeakPolarHBondContact O-CA 3.43Å; L758-S778 PolarHBondContact N-O 2.87Å |
| 779 | L | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 139.6 | 172.8 | -57.5 | 83.6 | 0 | 0 | 0 | 109.5 | L725 H730 T731 V733 Y756 L757 V777 V791 L812 | L725-L779 HydrophobicContact CD2-CB 4.41Å; L725-L779 HydrophobicContact CD2-CD2 4.42Å; H730-L779 CarbonylContact C-O 3.47Å; H730-L779 WeakPolarHBondContact CA-O 3.27Å; T731-L779 PolarHBondContact N-O 2.99Å; T731-L779 PolarHBondContact O-N 3.44Å; V733-L779 HydrophobicContact CG2-CD1 3.72Å; Y756-L779 CarbonylContact O-C 3.54Å; Y756-L779 WeakPolarHBondContact O-CA 3.34Å; L757-L779 HydrophobicContact CD2-CD1 4.4Å; L757-L779 HydrophobicContact CD2-CG 4.08Å; L757-L779 HydrophobicContact CG-CG 4.44Å; V777-L779 HydrophobicContact CG2-CD1 4.46Å; L779-V791 HydrophobicContact CD2-CG1 4.28Å; L779-L812 HydrophobicContact CD1-CD1 4.33Å; L779-L812 HydrophobicContact CD2-CD1 3.96Å |
| 780 | L | 95.4 | Very high | 91.8 | Very high | 65 Ų | 65 | 52.2 Ų | 52.2 | 34% | 0.34 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 110.2 | 167.1 | 168.2 | 58.3 | 0 | 0 | 0 | 108.2 | Y756 L758 P782 | Y756-L780 PolarHBondContact O-N 3.19Å; L758-L780 HydrophobicContact CD1-CB 4.05Å; L758-L780 HydrophobicContact CD2-CB 3.57Å; L758-L780 HydrophobicContact CD2-CD2 3.94Å; L758-L780 HydrophobicContact CD2-CG 4.42Å; L758-L780 HydrophobicContact CG-CB 3.73Å; L780-P782 WeakPolarHBondContact O-CD 3.09Å |
| 781 | T | 94.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -79 | 120.6 | 178.1 | -48.8 | 0 | 0 | 0 | 0 | 108.7 | L725 V726 G728 H729 Y756 A785 V814 | L725-T781 HydrophobicContact CB-CG2 4.18Å; V726-T781 VanDerWaalsContact O-CB 3.32Å; V726-T781 WeakPolarHBondContact O-CB 3.26Å; G728-T781 VanDerWaalsContact CA-O 3.27Å; G728-T781 WeakPolarHBondContact CA-O 3.48Å; G728-T781 PolarHBondContact N-O 3.28Å; H729-T781 PolarHBondContact O-N 3.46Å; Y756-T781 HydrophobicContact CD2-CG2 4.27Å; Y756-T781 HydrophobicContact CE2-CG2 3.97Å; T781-A785 HydrophobicContact CG2-CB 3.6Å; T781-V814 HydrophobicContact CG2-CG1 4.36Å; T781-V814 HydrophobicContact CG2-CG2 4.38Å | ||
| 782 | P | 94.1 | Very high | 91.6 | Very high | 46 Ų | 46 | 45.5 Ų | 45.5 | 30% | 0.299 | 28% | 0.276 | S | S | . | . | trans | -58.4 | 148.4 | 178.1 | -25.8 | 35.7 | 0 | 0 | 0 | 112.3 | Y756 L780 T784 A785 | Y756-P782 VanDerWaalsContact CD1-CD 3.4Å; Y756-P782 HydrophobicContact CD1-CG 3.8Å; Y756-P782 HydrophobicContact CE1-CG 3.52Å; Y756-P782 VanDerWaalsContact CZ-CD 3.48Å; L780-P782 WeakPolarHBondContact O-CD 3.09Å; P782-T784 PolarHBondContact O-N 2.71Å; P782-T784 VanDerWaalsContact O-N 3.15Å; P782-A785 WeakPolarHBondContact O-CB 3.41Å; P782-A785 PolarHBondContact O-N 2.6Å | ||
| 783 | A | 92 | Very high | 91.5 | Very high | 84 Ų | 84 | 42.3 Ų | 42.3 | 69% | 0.694 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -18.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 784 | T | 91.5 | Very high | 91.5 | Very high | 134 Ų | 134 | 40.7 Ų | 40.7 | 82% | 0.822 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90 | -0.2 | 174.9 | 51.5 | 0 | 0 | 0 | 0 | 113.8 | P782 Q786 | P782-T784 PolarHBondContact O-N 2.71Å; P782-T784 VanDerWaalsContact O-N 3.15Å; T784-Q786 PolarHBondContact O-N 3.28Å |
| 785 | A | 90.5 | Very high | 91.5 | Very high | 11 Ų | 11 | 35.1 Ų | 35.1 | 9% | 0.091 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -61.6 | 129.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P727 Y756 T781 P782 A787 V814 | P727-A785 HydrophobicContact CG-CB 4.48Å; Y756-A785 HydrophobicContact CE2-CB 4.29Å; Y756-A785 WeakPolarHBondContact OH-CB 3.24Å; T781-A785 HydrophobicContact CG2-CB 3.6Å; P782-A785 WeakPolarHBondContact O-CB 3.41Å; P782-A785 PolarHBondContact O-N 2.6Å; A785-A787 PolarHBondContact O-N 3.27Å; A785-V814 HydrophobicContact CB-CG1 4.05Å |
| 786 | Q | 88.8 | Confident | 91.7 | Very high | 131 Ų | 131 | 34.6 Ų | 34.6 | 61% | 0.612 | 21% | 0.207 | S | C | * | . | P | Polyproline II helix | trans | -74 | 128.2 | -176 | -176.8 | 175.2 | -15.9 | 0 | 0 | 111.1 | T784 G788 A789 | T784-Q786 PolarHBondContact O-N 3.28Å; Q786-G788 PolarHBondContact O-N 3.31Å; Q786-A789 WeakPolarHBondContact O-CB 3.23Å; Q786-A789 PolarHBondContact O-N 2.97Å |
| 787 | A | 86.3 | Confident | 91.7 | Very high | 38 Ų | 38 | 28.1 Ų | 28.1 | 31% | 0.314 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 131.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L135 A785 A789 P816 | L135-A787 HydrophobicContact CD2-CB 4.36Å; A785-A787 PolarHBondContact O-N 3.27Å; A787-A789 VanDerWaalsContact C-N 3.33Å; A787-P816 HydrophobicContact CB-CG 3.74Å |
| 788 | G | 85.8 | Confident | 91.6 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | -9.2 | -175 | 0 | 0 | 0 | 0 | 0 | 115.4 | A139 Q786 T790 V814 | A139-G788 WeakPolarHBondContact CB-O 3.41Å; Q786-G788 PolarHBondContact O-N 3.31Å; G788-T790 PolarHBondContact O-N 3.34Å; G788-V814 PolarHBondContact N-O 3.06Å |
| 789 | A | 87.7 | Confident | 91.3 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 3% | 0.033 | 17% | 0.173 | C | C | . | . | trans | -58.3 | 139.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | W754 Q786 A787 V814 | W754-A789 HydrophobicContact CH2-CB 4.25Å; W754-A789 HydrophobicContact CZ2-CB 3.69Å; Q786-A789 WeakPolarHBondContact O-CB 3.23Å; Q786-A789 PolarHBondContact O-N 2.97Å; A787-A789 VanDerWaalsContact C-N 3.33Å; A789-V814 HydrophobicContact CB-CB 4.42Å; A789-V814 HydrophobicContact CB-CG2 4.18Å; A789-V814 PolarHBondContact O-N 3.04Å | ||
| 790 | T | 88.4 | Confident | 90.9 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 3% | 0.025 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 130.8 | 170.9 | -63.2 | 0 | 0 | 0 | 0 | 108.2 | W754 G788 F811 L812 | W754-T790 PolarHBondContact NE1-O 3.47Å; G788-T790 PolarHBondContact O-N 3.34Å; T790-F811 HydrophobicContact CG2-CB 3.85Å; T790-F811 HydrophobicContact CG2-CD1 4.16Å; T790-F811 HydrophobicContact CG2-CG 4.49Å; T790-L812 WeakPolarHBondContact CA-O 3.37Å |
| 791 | V | 90.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 126.4 | 171.9 | -178.9 | 0 | 0 | 0 | 0 | 108 | L725 D752 D753 W754 Y756 L779 L812 V814 | L725-V791 HydrophobicContact CD1-CB 3.67Å; L725-V791 HydrophobicContact CD1-CG1 4.37Å; L725-V791 HydrophobicContact CD1-CG2 3.35Å; D752-V791 HydrophobicContact CB-CG1 3.99Å; D753-V791 WeakPolarHBondContact OD1-CA 3.16Å; W754-V791 HydrophobicContact CB-CG2 4.32Å; W754-V791 HydrophobicContact CG-CG2 4.09Å; Y756-V791 HydrophobicContact CD2-CG2 3.74Å; Y756-V791 HydrophobicContact CE2-CG2 3.61Å; L779-V791 HydrophobicContact CD2-CG1 4.28Å; V791-L812 HydrophobicContact CB-CB 4.46Å; V791-L812 PolarHBondContact N-O 2.86Å; V791-L812 PolarHBondContact O-N 3.26Å; V791-V814 HydrophobicContact CG2-CG2 4.37Å |
| 792 | T | 90.8 | Very high | 89.6 | Confident | 6 Ų | 6 | 37.1 Ų | 37.1 | 4% | 0.037 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 91.8 | 179.3 | -45.2 | 0 | 0 | 0 | 0 | 109 | L424 D753 T794 V809 F811 | L424-T792 HydrophobicContact CD2-CG2 3.54Å; D753-T792 PolarHBondContact OD1-N 3.42Å; D753-T792 WeakPolarHBondContact OD2-CB 3.44Å; D753-T792 PolarHBondContact OD2-N 2.73Å; D753-T792 PolarHBondContact OD2-OG1 3.46Å; T792-T794 PolarHBondContact O-N 2.91Å; T792-V809 HydrophobicContact CG2-CG1 3.56Å; T792-F811 HydrophobicContact CG2-CD1 4.12Å; T792-F811 HydrophobicContact CG2-CE1 3.8Å |
| 793 | L | 92.8 | Very high | 89 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 121.7 | 174.4 | 175.7 | 65.7 | 0 | 0 | 0 | 109.3 | V733 A750 L757 V777 L795 V809 A810 L812 | V733-L793 HydrophobicContact CB-CD2 4Å; V733-L793 HydrophobicContact CG1-CD2 3.82Å; V733-L793 HydrophobicContact CG2-CD2 4.02Å; A750-L793 HydrophobicContact CB-CD1 4.47Å; L757-L793 HydrophobicContact CD1-CD1 4.13Å; L757-L793 HydrophobicContact CD2-CD1 4.08Å; L757-L793 HydrophobicContact CG-CD1 4.38Å; V777-L793 HydrophobicContact CG2-CD1 4.26Å; V777-L793 HydrophobicContact CG2-CD2 3.82Å; L793-L795 HydrophobicContact CD1-CD2 4.15Å; L793-L795 HydrophobicContact CD2-CD2 4.28Å; L793-L795 HydrophobicContact CG-CD2 4.15Å; L793-L795 HydrophobicContact CG-CG 4.39Å; L793-V809 WeakPolarHBondContact O-CA 3.36Å; L793-A810 HydrophobicContact CB-CB 4.47Å; L793-A810 PolarHBondContact N-O 2.59Å; L793-A810 PolarHBondContact O-N 3.21Å; L793-L812 HydrophobicContact CB-CD1 4.08Å; L793-L812 HydrophobicContact CD2-CD1 4.27Å |
| 794 | T | 93.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 115.6 | 177.6 | -54.1 | 0 | 0 | 0 | 0 | 109.2 | A420 A423 L424 A750 D751 T792 T796 V809 | A420-T794 HydrophobicContact CB-CG2 4.2Å; A423-T794 HydrophobicContact CB-CG2 3.69Å; L424-T794 WeakPolarHBondContact CD2-OG1 3.24Å; L424-T794 HydrophobicContact CG-CG2 4.43Å; A750-T794 WeakPolarHBondContact CA-O 3.41Å; D751-T794 PolarHBondContact N-O 3.44Å; D751-T794 PolarHBondContact O-N 3.29Å; T792-T794 PolarHBondContact O-N 2.91Å; T794-T796 HydrophobicContact CG2-CG2 4.24Å; T794-V809 HydrophobicContact CG2-CG2 4.39Å |
| 795 | L | 93.8 | Very high | 88.5 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 131 | 173.9 | -58 | -179.7 | 0 | 0 | 0 | 108.8 | I717 M719 F735 A750 V777 L793 Y807 A808 | I717-L795 HydrophobicContact CD1-CB 4.17Å; I717-L795 HydrophobicContact CG2-CD1 4.43Å; M719-L795 HydrophobicContact CE-CD1 4.13Å; M719-L795 HydrophobicContact SD-CD1 3.69Å; F735-L795 HydrophobicContact CB-CD1 4.13Å; F735-L795 HydrophobicContact CD1-CD1 3.54Å; F735-L795 HydrophobicContact CD2-CD1 3.93Å; F735-L795 HydrophobicContact CE1-CD1 3.83Å; F735-L795 HydrophobicContact CE1-CD2 4.23Å; F735-L795 HydrophobicContact CE2-CD1 4.17Å; F735-L795 HydrophobicContact CG-CD1 3.6Å; F735-L795 HydrophobicContact CZ-CD1 4.13Å; F735-L795 HydrophobicContact CZ-CD2 4.37Å; A750-L795 HydrophobicContact CB-CD2 3.6Å; V777-L795 HydrophobicContact CG1-CD2 4.33Å; V777-L795 HydrophobicContact CG2-CD2 4.18Å; L793-L795 HydrophobicContact CD1-CD2 4.15Å; L793-L795 HydrophobicContact CD2-CD2 4.28Å; L793-L795 HydrophobicContact CG-CD2 4.15Å; L793-L795 HydrophobicContact CG-CG 4.39Å; L795-Y807 CarbonylContact O-C 3.52Å; L795-Y807 WeakPolarHBondContact O-CA 3.38Å; L795-Y807 WeakPolarHBondContact O-CB 3.31Å; L795-A808 PolarHBondContact N-O 2.63Å; L795-A808 PolarHBondContact O-N 3.27Å |
| 796 | T | 93.4 | Very high | 88.7 | Confident | 12 Ų | 12 | 34.9 Ų | 34.9 | 7% | 0.074 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 142 | 175.7 | 55.4 | 0 | 0 | 0 | 0 | 110.4 | D419 A423 I748 T749 T794 N806 | D419-T796 HydrophobicContact CB-CG2 4.13Å; A423-T796 HydrophobicContact CB-CG2 4.1Å; I748-T796 WeakPolarHBondContact CA-O 3.4Å; T749-T796 PolarHBondContact N-O 3.19Å; T749-T796 PolarHBondContact O-N 3.44Å; T749-T796 PolarHBondContact OG1-OG1 3.26Å; T794-T796 HydrophobicContact CG2-CG2 4.24Å; T796-N806 WeakPolarHBondContact CA-O 3.11Å |
| 797 | V | 92.7 | Very high | 89 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 131.9 | 176.8 | 66.7 | 0 | 0 | 0 | 0 | 108.8 | V715 I717 I737 F746 N747 I748 S805 N806 | V715-V797 HydrophobicContact CB-CG1 4.44Å; V715-V797 HydrophobicContact CG1-CG1 3.74Å; V715-V797 HydrophobicContact CG2-CG1 3.8Å; V715-V797 HydrophobicContact CG2-CG2 4.19Å; I717-V797 HydrophobicContact CD1-CB 4.07Å; I717-V797 HydrophobicContact CD1-CG1 3.81Å; I717-V797 HydrophobicContact CG1-CB 4.39Å; I717-V797 HydrophobicContact CG1-CG1 3.8Å; I737-V797 HydrophobicContact CD1-CG2 4.31Å; F746-V797 HydrophobicContact CB-CG2 3.69Å; F746-V797 HydrophobicContact CD1-CG2 3.74Å; F746-V797 HydrophobicContact CG-CG2 3.91Å; N747-V797 WeakPolarHBondContact O-CA 3.05Å; I748-V797 HydrophobicContact CG1-CG2 4.18Å; V797-S805 CarbonylContact O-C 3.52Å; V797-S805 WeakPolarHBondContact O-CA 3.45Å; V797-N806 HydrophobicContact CG1-CB 4.01Å; V797-N806 PolarHBondContact N-O 3.39Å; V797-N806 PolarHBondContact O-N 3.16Å |
| 798 | H | 91.3 | Very high | 89.3 | Confident | 60 Ų | 60 | 28 Ų | 28 | 28% | 0.278 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 130.3 | -179.8 | -169.2 | -62.6 | 0 | 0 | 0 | 110 | F746 N747 S802 E804 | F746-H798 CarbonylContact C-O 3.42Å; F746-H798 WeakPolarHBondContact CA-O 3.48Å; N747-H798 PolarHBondContact N-O 2.89Å; N747-H798 PolarHBondContact O-N 3.41Å; H798-S802 PolarHBondContact CE1-O 3Å; H798-E804 WeakPolarHBondContact CA-O 3.29Å |
| 799 | A | 88.6 | Confident | 89.5 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 135.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F746 N801 S802 E804 | F746-A799 HydrophobicContact CD1-CB 4.06Å; F746-A799 HydrophobicContact CE1-CB 3.99Å; A799-N801 VanDerWaalsContact C-N 3.31Å; A799-N801 PolarHBondContact O-N 3.33Å; A799-S802 WeakPolarHBondContact CB-OG 3.26Å; A799-S802 VanDerWaalsContact O-O 3.12Å; A799-E804 HydrophobicContact CB-CB 4.03Å; A799-E804 PolarHBondContact N-O 3.48Å |
| 800 | L | 85.1 | Confident | 89.6 | Confident | 62 Ų | 62 | 29.1 Ų | 29.1 | 33% | 0.325 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -21.4 | -176.2 | -84.7 | 163.9 | 0 | 0 | 0 | 114.7 | L745 N747 R764 | L745-L800 HydrophobicContact CB-CD1 4.15Å; L745-L800 HydrophobicContact CD2-CD1 3.55Å; L745-L800 HydrophobicContact CG-CD1 3.73Å; L745-L800 WeakPolarHBondContact O-CB 3.49Å; L745-L800 PolarHBondContact O-N 3.17Å; N747-L800 WeakPolarHBondContact ND2-CD2 3.33Å; R764-L800 HydrophobicContact CG-CD1 4.38Å |
| 801 | N | 81.6 | Confident | 89.5 | Confident | 144 Ų | 144 | 31 Ų | 31 | 77% | 0.77 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116.8 | 7.4 | -172 | -62.1 | -21.2 | 0 | 0 | 0 | 113.2 | A799 | A799-N801 VanDerWaalsContact C-N 3.31Å; A799-N801 PolarHBondContact O-N 3.33Å |
| 802 | S | 81.1 | Confident | 89.5 | Confident | 40 Ų | 40 | 31 Ų | 31 | 28% | 0.28 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -147.8 | 174.6 | -180 | 72.4 | 0 | 0 | 0 | 0 | 110.1 | H798 A799 E804 | H798-S802 PolarHBondContact CE1-O 3Å; A799-S802 WeakPolarHBondContact CB-OG 3.26Å; A799-S802 VanDerWaalsContact O-O 3.12Å; S802-E804 PolarHBondContact O-N 3.02Å; S802-E804 WeakPolarHBondContact OG-CB 3.16Å; S802-E804 WeakPolarHBondContact OG-CG 3.02Å; S802-E804 PolarHBondContact OG-N 3.28Å |
| 803 | L | 81.3 | Confident | 89.5 | Confident | 166 Ų | 166 | 30.8 Ų | 30.8 | 87% | 0.869 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -87.3 | 11.7 | 175.5 | -61.5 | 174.8 | 0 | 0 | 0 | 112.6 | S805 | L803-S805 PolarHBondContact O-N 3Š|
| 804 | E | 84.8 | Confident | 89.4 | Confident | 38 Ų | 38 | 30.7 Ų | 30.7 | 18% | 0.178 | 16% | 0.163 | C | C | . | . | trans | -72.6 | 122.5 | -177.6 | -66.8 | 179.5 | 169.2 | 0 | 0 | 110.9 | H714 Q744 H798 A799 S802 | H714-E804 IonicContact CE1-OE1 3.17Å; H714-E804 IonicContact CG-OE1 3.66Å; H714-E804 IonicContact ND1-OE1 3.18Å; H714-E804 PolarHBondContact ND1-OE1 2.63Å; Q744-E804 PolarHBondContact NE2-OE2 3.14Å; H798-E804 WeakPolarHBondContact CA-O 3.29Å; A799-E804 HydrophobicContact CB-CB 4.03Å; A799-E804 PolarHBondContact N-O 3.48Å; S802-E804 PolarHBondContact O-N 3.02Å; S802-E804 WeakPolarHBondContact OG-CB 3.16Å; S802-E804 WeakPolarHBondContact OG-CG 3.02Å; S802-E804 PolarHBondContact OG-N 3.28Å | ||
| 805 | S | 90.2 | Very high | 89.2 | Confident | 19 Ų | 19 | 30.8 Ų | 30.8 | 13% | 0.133 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 154 | 172.3 | 50.3 | 0 | 0 | 0 | 0 | 110.7 | K422 T713 V797 L803 | K422-S805 PolarHBondContact NZ-OG 3.14Å; T713-S805 WeakPolarHBondContact CB-O 3.27Å; T713-S805 WeakPolarHBondContact CG2-O 3.23Å; T713-S805 PolarHBondContact OG1-O 3.19Å; V797-S805 CarbonylContact O-C 3.52Å; V797-S805 WeakPolarHBondContact O-CA 3.45Å; L803-S805 PolarHBondContact O-N 3Å |
| 806 | N | 93.9 | Very high | 88.7 | Confident | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.027 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 172 | 164.7 | -152.6 | -9 | 0 | 0 | 0 | 110 | S621 T713 V715 T796 V797 | S621-N806 PolarHBondContact N-OD1 3.29Å; S621-N806 PolarHBondContact O-ND2 2.89Å; T713-N806 HydrophobicContact CG2-CB 3.75Å; T713-N806 WeakPolarHBondContact CG2-ND2 3Å; V715-N806 HydrophobicContact CG1-CB 3.98Å; V715-N806 WeakPolarHBondContact O-CB 3.2Å; V715-N806 PolarHBondContact O-ND2 2.89Å; T796-N806 WeakPolarHBondContact CA-O 3.11Å; V797-N806 HydrophobicContact CG1-CB 4.01Å; V797-N806 PolarHBondContact N-O 3.39Å; V797-N806 PolarHBondContact O-N 3.16Å |
| 807 | Y | 94.3 | Very high | 87.9 | Confident | 22 Ų | 22 | 37.4 Ų | 37.4 | 9% | 0.086 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 161.5 | -177.5 | 67.4 | -90.1 | 0 | 0 | 0 | 112.5 | A423 L426 E427 G620 L795 V809 | A423-Y807 VanDerWaalsContact CB-CB 3.49Å; A423-Y807 HydrophobicContact CB-CD1 4.05Å; A423-Y807 HydrophobicContact CB-CD2 3.67Å; A423-Y807 HydrophobicContact CB-CE2 4.42Å; A423-Y807 HydrophobicContact CB-CG 3.45Å; A423-Y807 VanDerWaalsContact CB-CG 3.45Å; L426-Y807 HydrophobicContact CB-CE1 4.09Å; L426-Y807 VanDerWaalsContact CB-OH 3.27Å; L426-Y807 WeakPolarHBondContact CB-OH 3.43Å; L426-Y807 HydrophobicContact CD1-CE1 3.84Å; E427-Y807 HydrophobicContact CB-CE2 4.16Å; G620-Y807 VanDerWaalsContact CA-O 3.28Å; G620-Y807 WeakPolarHBondContact CA-O 3.11Å; L795-Y807 CarbonylContact O-C 3.52Å; L795-Y807 WeakPolarHBondContact O-CA 3.38Å; L795-Y807 WeakPolarHBondContact O-CB 3.31Å; Y807-V809 HydrophobicContact CD2-CG2 4.15Å; Y807-V809 HydrophobicContact CE2-CG2 4.5Å |
| 808 | A | 92.9 | Very high | 87 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 2% | 0.017 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 145.8 | 165 | 0 | 0 | 0 | 0 | 0 | 109.2 | I717 M719 L795 | I717-A808 HydrophobicContact CB-CB 3.96Å; I717-A808 HydrophobicContact CD1-CB 4.48Å; I717-A808 HydrophobicContact CG2-CB 3.78Å; M719-A808 HydrophobicContact SD-CB 4.18Å; L795-A808 PolarHBondContact N-O 2.63Å; L795-A808 PolarHBondContact O-N 3.27Å |
| 809 | V | 90.8 | Very high | 86.1 | Confident | 21 Ų | 21 | 42.3 Ų | 42.3 | 13% | 0.127 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 130.4 | 179.8 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | L424 E427 T792 L793 T794 Y807 F811 | L424-V809 HydrophobicContact CD2-CG1 4.05Å; L424-V809 HydrophobicContact CD2-CG2 4.24Å; E427-V809 HydrophobicContact CB-CG2 4.02Å; E427-V809 HydrophobicContact CG-CB 4.13Å; E427-V809 HydrophobicContact CG-CG2 4.19Å; T792-V809 HydrophobicContact CG2-CG1 3.56Å; L793-V809 WeakPolarHBondContact O-CA 3.36Å; T794-V809 HydrophobicContact CG2-CG2 4.39Å; Y807-V809 HydrophobicContact CD2-CG2 4.15Å; Y807-V809 HydrophobicContact CE2-CG2 4.5Å; V809-F811 HydrophobicContact CG1-CE1 4.32Å; V809-F811 HydrophobicContact CG1-CE2 4.5Å; V809-F811 HydrophobicContact CG1-CZ 4.07Å |
| 810 | A | 88.8 | Confident | 85.5 | Confident | 6 Ų | 6 | 43 Ų | 43 | 5% | 0.05 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 137.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | M719 T722 L793 L812 | M719-A810 HydrophobicContact CE-CB 4.03Å; T722-A810 HydrophobicContact CG2-CB 4.2Å; L793-A810 HydrophobicContact CB-CB 4.47Å; L793-A810 PolarHBondContact N-O 2.59Å; L793-A810 PolarHBondContact O-N 3.21Å; A810-L812 HydrophobicContact CB-CD2 4.43Å |
| 811 | F | 86.9 | Confident | 85.1 | Confident | 44 Ų | 44 | 44.1 Ų | 44.1 | 19% | 0.193 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 107.8 | 179.8 | -58.8 | -73.7 | 0 | 0 | 0 | 110.2 | T790 T792 V809 | T790-F811 HydrophobicContact CG2-CB 3.85Å; T790-F811 HydrophobicContact CG2-CD1 4.16Å; T790-F811 HydrophobicContact CG2-CG 4.49Å; T792-F811 HydrophobicContact CG2-CD1 4.12Å; T792-F811 HydrophobicContact CG2-CE1 3.8Å; V809-F811 HydrophobicContact CG1-CE1 4.32Å; V809-F811 HydrophobicContact CG1-CE2 4.5Å; V809-F811 HydrophobicContact CG1-CZ 4.07Å |
| 812 | L | 90.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 115.1 | -174.9 | -49.4 | 175.6 | 0 | 0 | 0 | 109.6 | L725 V733 L779 T790 V791 L793 A810 | L725-L812 HydrophobicContact CD1-CB 3.82Å; L725-L812 HydrophobicContact CD2-CB 4.45Å; L725-L812 HydrophobicContact CD2-CD1 4.31Å; L725-L812 HydrophobicContact CG-CB 3.87Å; V733-L812 HydrophobicContact CG2-CD1 3.9Å; V733-L812 HydrophobicContact CG2-CD2 4.47Å; L779-L812 HydrophobicContact CD1-CD1 4.33Å; L779-L812 HydrophobicContact CD2-CD1 3.96Å; T790-L812 WeakPolarHBondContact CA-O 3.37Å; V791-L812 HydrophobicContact CB-CB 4.46Å; V791-L812 PolarHBondContact N-O 2.86Å; V791-L812 PolarHBondContact O-N 3.26Å; L793-L812 HydrophobicContact CB-CD1 4.08Å; L793-L812 HydrophobicContact CD2-CD1 4.27Å; A810-L812 HydrophobicContact CB-CD2 4.43Å |
| 813 | T | 90.8 | Very high | 84.7 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 133.3 | -178.1 | -42.5 | 0 | 0 | 0 | 0 | 111.1 | R132 L725 V815 | R132-T813 HydrophobicContact CG-CG2 4.45Å; R132-T813 PolarHBondContact NE-OG1 2.77Å; L725-T813 PolarHBondContact N-O 2.88Å; T813-V815 HydrophobicContact CG2-CG2 4.29Å |
| 814 | V | 91.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -77.5 | 120.4 | 169.2 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | L725 P727 Y756 T781 A785 G788 A789 V791 | L725-V814 HydrophobicContact CB-CG2 3.99Å; L725-V814 HydrophobicContact CD1-CG2 4.22Å; L725-V814 CarbonylContact O-C 3.6Å; L725-V814 WeakPolarHBondContact O-CA 3.18Å; P727-V814 HydrophobicContact CG-CG1 3.86Å; Y756-V814 HydrophobicContact CE2-CG2 4.42Å; T781-V814 HydrophobicContact CG2-CG1 4.36Å; T781-V814 HydrophobicContact CG2-CG2 4.38Å; A785-V814 HydrophobicContact CB-CG1 4.05Å; G788-V814 PolarHBondContact N-O 3.06Å; A789-V814 HydrophobicContact CB-CB 4.42Å; A789-V814 HydrophobicContact CB-CG2 4.18Å; A789-V814 PolarHBondContact O-N 3.04Å; V791-V814 HydrophobicContact CG2-CG2 4.37Å |
| 815 | V | 88.3 | Confident | 85 | Confident | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.018 | 16% | 0.159 | C | C | . | . | trans | -124.7 | 136.4 | -178.5 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | R132 Q724 L725 P727 T813 A819 | R132-V815 HydrophobicContact CG-CG2 3.92Å; Q724-V815 HydrophobicContact CG-CG2 4.45Å; Q724-V815 VanDerWaalsContact OE1-CB 3.29Å; Q724-V815 VanDerWaalsContact OE1-CG2 3.3Å; L725-V815 PolarHBondContact O-N 3.11Å; P727-V815 VanDerWaalsContact CD-O 3.27Å; P727-V815 WeakPolarHBondContact CD-O 3.27Å; T813-V815 HydrophobicContact CG2-CG2 4.29Å; V815-A819 HydrophobicContact CG1-CB 3.79Å | ||
| 816 | P | 84.4 | Confident | 84.8 | Confident | 46 Ų | 46 | 29.8 Ų | 29.8 | 30% | 0.299 | 16% | 0.163 | S | C | . | . | trans | -57.9 | 147 | 174.8 | -22.2 | 31.9 | 0 | 0 | 0 | 112.2 | A787 A819 | A787-P816 HydrophobicContact CB-CG 3.74Å; P816-A819 HydrophobicContact CB-CB 4.13Å; P816-A819 HydrophobicContact CG-CB 4.37Å; P816-A819 WeakPolarHBondContact O-CB 3.14Å; P816-A819 PolarHBondContact O-N 2.9Å | ||
| 817 | L | 77 | Confident | 84.4 | Confident | 105 Ų | 105 | 32.3 Ų | 32.3 | 55% | 0.55 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -56.9 | 176.3 | -178.5 | 69.7 | 0 | 0 | 0 | 110.7 | V726 A819 | V726-L817 HydrophobicContact CG1-CB 3.79Å; V726-L817 HydrophobicContact CG1-CD1 3.89Å; V726-L817 HydrophobicContact CG1-CG 4.46Å; L817-A819 VanDerWaalsContact C-N 3.28Å; L817-A819 PolarHBondContact O-N 3.37Å |
| 818 | D | 72.9 | Confident | 83.7 | Confident | 149 Ų | 149 | 33.7 Ų | 33.7 | 80% | 0.797 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 50.6 | 175 | -53.5 | -59.4 | 0 | 0 | 0 | 110.7 | D820 | D818-D820 PolarHBondContact O-N 2.88Å; D818-D820 VanDerWaalsContact O-N 3.16Å |
| 819 | A | 73.5 | Confident | 83 | Confident | 16 Ų | 16 | 35.9 Ų | 35.9 | 13% | 0.132 | 22% | 0.215 | C | C | . | . | trans | -61.3 | 118.9 | 175 | 0 | 0 | 0 | 0 | 0 | 110.1 | T131 V815 P816 L817 R821 | T131-A819 HydrophobicContact CG2-CB 4.39Å; V815-A819 HydrophobicContact CG1-CB 3.79Å; P816-A819 HydrophobicContact CB-CB 4.13Å; P816-A819 HydrophobicContact CG-CB 4.37Å; P816-A819 WeakPolarHBondContact O-CB 3.14Å; P816-A819 PolarHBondContact O-N 2.9Å; L817-A819 VanDerWaalsContact C-N 3.28Å; L817-A819 PolarHBondContact O-N 3.37Å; A819-R821 WeakPolarHBondContact O-CG 3.04Å; A819-R821 PolarHBondContact O-N 3.1Å | ||
| 820 | D | 75.3 | Confident | 82.6 | Confident | 13 Ų | 13 | 39 Ų | 39 | 7% | 0.07 | 22% | 0.224 | C | C | . | . | trans | -68.8 | 119.7 | 174.7 | -172.6 | -3.6 | 0 | 0 | 0 | 110.3 | D818 S822 V854 S856 A955 N957 | D818-D820 PolarHBondContact O-N 2.88Å; D818-D820 VanDerWaalsContact O-N 3.16Å; D820-S822 PolarHBondContact OD1-N 2.98Å; D820-S822 VanDerWaalsContact OD1-N 3.15Å; D820-V854 HydrophobicContact CB-CG1 3.95Å; D820-V854 WeakPolarHBondContact OD1-CB 3.38Å; D820-V854 WeakPolarHBondContact OD1-CG1 3.31Å; D820-V854 WeakPolarHBondContact OD2-CB 3.47Å; D820-V854 WeakPolarHBondContact OD2-CG1 3.34Å; D820-S856 WeakPolarHBondContact OD2-CB 3.32Å; D820-S856 PolarHBondContact OD2-OG 2.99Å; D820-A955 HydrophobicContact CB-CB 3.77Å; D820-N957 PolarHBondContact O-ND2 2.74Å | ||
| 821 | R | 75.9 | Confident | 82.1 | Confident | 87 Ų | 87 | 41.4 Ų | 41.4 | 33% | 0.328 | 24% | 0.236 | S | C | . | . | trans | -115.8 | 6.4 | -175.3 | -61.8 | 170.2 | -161.3 | -157 | 1.4 | 112 | E128 A819 | E128-R821 IonicContact OE2-NH1 2.86Å; A819-R821 WeakPolarHBondContact O-CG 3.04Å; A819-R821 PolarHBondContact O-N 3.1Å | ||
| 822 | S | 75.8 | Confident | 81.8 | Confident | 43 Ų | 43 | 43.6 Ų | 43.6 | 30% | 0.301 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -102.8 | 128.5 | -178.6 | -66.5 | 0 | 0 | 0 | 0 | 109.3 | D820 D953 N957 | D820-S822 PolarHBondContact OD1-N 2.98Å; D820-S822 VanDerWaalsContact OD1-N 3.15Å; S822-D953 VanDerWaalsContact O-OD2 3.08Å; S822-N957 PolarHBondContact O-ND2 2.95Å; S822-N957 VanDerWaalsContact O-ND2 3.12Å |
| 823 | P | 78.9 | Confident | 81.1 | Confident | 10 Ų | 10 | 45.9 Ų | 45.9 | 7% | 0.065 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 158 | 168.1 | 33.7 | -35 | 0 | 0 | 0 | 111.2 | P180 N957 M958 K959 | P180-P823 HydrophobicContact CG-CG 4.03Å; P823-N957 HydrophobicContact CB-CB 4.09Å; P823-M958 WeakPolarHBondContact CB-O 3.37Å; P823-K959 HydrophobicContact CB-CB 4.24Å |
| 824 | P | 86.4 | Confident | 80.2 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -53.2 | 147.9 | 168.5 | -27.5 | 34.5 | 0 | 0 | 0 | 113.4 | S851 L858 V951 D953 K959 | P824-S851 CarbonylContact C-O 3.48Å; P824-S851 WeakPolarHBondContact CA-O 3.4Å; P824-S851 WeakPolarHBondContact CB-O 3.34Å; P824-L858 HydrophobicContact CB-CD2 3.76Å; P824-L858 HydrophobicContact CG-CD2 3.96Å; P824-V951 HydrophobicContact CB-CB 4.16Å; P824-V951 HydrophobicContact CB-CG1 3.54Å; P824-V951 HydrophobicContact CG-CB 4.44Å; P824-V951 HydrophobicContact CG-CG1 3.82Å; P824-D953 HydrophobicContact CG-CB 3.94Å; P824-K959 WeakPolarHBondContact O-CB 3.13Å; P824-K959 VanDerWaalsContact O-CG 3.25Å; P824-K959 WeakPolarHBondContact O-CG 3.2Å |
| 825 | S | 85.5 | Confident | 79.5 | Confident | 19 Ų | 19 | 54.4 Ų | 54.4 | 13% | 0.133 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 151.7 | 173.8 | 95.8 | 0 | 0 | 0 | 0 | 112.2 | D181 V850 S851 | D181-S825 WeakPolarHBondContact OD2-CA 3.17Å; S825-V850 WeakPolarHBondContact O-CA 3.23Å; S825-S851 PolarHBondContact N-O 3.18Å; S825-S851 PolarHBondContact O-N 3.3Å; S825-S851 VanDerWaalsContact O-N 3.14Å; S825-S851 PolarHBondContact OG-OG 3.22Å |
| 826 | C | 87.1 | Confident | 78.7 | Confident | 33 Ų | 33 | 57.4 Ų | 57.4 | 22% | 0.223 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 105.9 | 171.5 | -82 | 0 | 0 | 0 | 0 | 109.2 | L848 C961 | C826-L848 HydrophobicContact CB-CD2 4.49Å; C826-C961 HydrophobicContact CB-CB 3.6Å; C826-C961 WeakPolarHBondContact CB-SG 3.12Å; C826-C961 WeakPolarHBondContact SG-CB 3.46Å; C826-C961 CovalentContact SG-SG 2.03Å; C826-C961 PolarHBondContact SG-SG 3.18Å |
| 827 | S | 85.3 | Confident | 78.1 | Confident | 59 Ų | 59 | 60.7 Ų | 60.7 | 41% | 0.413 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 128.3 | 176.7 | 48.8 | 0 | 0 | 0 | 0 | 110.7 | A829 L848 V849 | S827-A829 PolarHBondContact O-N 3.04Å; S827-L848 CarbonylContact O-C 3.6Å; S827-L848 VanDerWaalsContact O-CA 3.3Å; S827-L848 WeakPolarHBondContact O-CA 3.28Å; S827-V849 PolarHBondContact N-O 3.02Å; S827-V849 PolarHBondContact O-N 3.3Å; S827-V849 PolarHBondContact OG-O 3.16Å |
| 828 | A | 78.8 | Confident | 78.1 | Confident | 51 Ų | 51 | 58.8 Ų | 58.8 | 42% | 0.421 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 120.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 829 | A | 79.6 | Confident | 78.1 | Confident | 47 Ų | 47 | 53.8 Ų | 53.8 | 39% | 0.388 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | -48.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | S827 S847 V849 W935 | S827-A829 PolarHBondContact O-N 3.04Å; A829-S847 WeakPolarHBondContact CB-O 3.36Å; A829-S847 PolarHBondContact N-O 2.81Å; A829-V849 HydrophobicContact CB-CG2 4.14Å; A829-W935 HydrophobicContact CB-CE3 4.45Å; A829-W935 HydrophobicContact CB-CZ3 3.75Å |
| 830 | W | 81.4 | Confident | 78.2 | Confident | 86 Ų | 86 | 57.9 Ų | 57.9 | 33% | 0.326 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 155 | 175.4 | 59.6 | -91.7 | 0 | 0 | 0 | 111.3 | Q832 R845 S847 | W830-Q832 HydrophobicContact CE3-CB 4.06Å; W830-Q832 HydrophobicContact CZ3-CB 3.65Å; W830-R845 HydrophobicContact CH2-CG 3.93Å; W830-R845 HydrophobicContact CZ3-CB 4.44Å; W830-R845 HydrophobicContact CZ3-CG 4.05Å; W830-S847 PolarHBondContact N-O 3.08Å; W830-S847 PolarHBondContact O-N 3.12Å |
| 831 | I | 77.9 | Confident | 78.1 | Confident | 58 Ų | 58 | 64.8 Ų | 64.8 | 30% | 0.297 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 135.8 | 175.9 | -61.9 | 162.2 | 0 | 0 | 0 | 107.5 | V846 Q967 | I831-V846 HydrophobicContact CG1-CB 4.12Å; I831-V846 HydrophobicContact CG1-CG2 3.65Å; I831-Q967 HydrophobicContact CD1-CB 3.44Å; I831-Q967 VanDerWaalsContact CD1-CB 3.44Å |
| 832 | Q | 81.1 | Confident | 78.3 | Confident | 90 Ų | 90 | 62.2 Ų | 62.2 | 42% | 0.421 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 111.1 | 171.6 | -179.6 | -175.1 | 38.4 | 0 | 0 | 107 | W830 W844 R845 | W830-Q832 HydrophobicContact CE3-CB 4.06Å; W830-Q832 HydrophobicContact CZ3-CB 3.65Å; Q832-W844 WeakPolarHBondContact O-CA 3.4Å; Q832-R845 PolarHBondContact N-O 2.7Å; Q832-R845 PolarHBondContact O-N 3.35Å |
| 833 | S | 76.1 | Confident | 78.7 | Confident | 48 Ų | 48 | 63.7 Ų | 63.7 | 34% | 0.336 | 39% | 0.387 | S | S | . | . | trans | -135.3 | 122 | -175.7 | -177.1 | 0 | 0 | 0 | 0 | 108.4 | S965 | S833-S965 WeakPolarHBondContact CB-O 3Å; S833-S965 PolarHBondContact OG-O 3.2Å | ||
| 834 | D | 72.2 | Confident | 79.1 | Confident | 131 Ų | 131 | 63.2 Ų | 63.2 | 70% | 0.701 | 38% | 0.384 | S | S | * | . | trans | -138.7 | 72 | 173.5 | -170.8 | 11.9 | 0 | 0 | 0 | 107.4 | P836 S842 | D834-P836 VanDerWaalsContact O-CD 3.27Å; D834-P836 WeakPolarHBondContact O-CD 3.23Å; D834-S842 VanDerWaalsContact O-CB 3.28Å; D834-S842 WeakPolarHBondContact O-CB 3.38Å; D834-S842 PolarHBondContact O-OG 2.84Å | ||
| 835 | C | 75.6 | Confident | 79.2 | Confident | 48 Ų | 48 | 67.2 Ų | 67.2 | 32% | 0.324 | 40% | 0.399 | S | S | . | . | trans | -103 | 99 | -172.9 | -71.1 | 0 | 0 | 0 | 0 | 111 | C942 | C835-C942 WeakPolarHBondContact CA-SG 2.95Å; C835-C942 HydrophobicContact CB-CB 3.58Å; C835-C942 WeakPolarHBondContact CB-SG 3.44Å; C835-C942 WeakPolarHBondContact SG-CB 3.04Å; C835-C942 CovalentContact SG-SG 2.04Å; C835-C942 PolarHBondContact SG-SG 2.97Å | ||
| 836 | P | 73.1 | Confident | 79.3 | Confident | 66 Ų | 66 | 66.4 Ų | 66.4 | 43% | 0.429 | 39% | 0.393 | S | S | . | . | trans | -76.6 | 170.9 | 175 | 34.6 | -35 | 0 | 0 | 0 | 111 | D834 D838 S842 | D834-P836 VanDerWaalsContact O-CD 3.27Å; D834-P836 WeakPolarHBondContact O-CD 3.23Å; P836-D838 CarbonylContact O-C 3.47Å; P836-D838 PolarHBondContact O-N 2.89Å; P836-D838 VanDerWaalsContact O-N 3.1Å; P836-S842 WeakPolarHBondContact CD-OG 3.47Å | ||
| 837 | A | 70.7 | Confident | 79.3 | Confident | 116 Ų | 116 | 64.8 Ų | 64.8 | 96% | 0.959 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -57.4 | -26 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | C839 | A837-C839 PolarHBondContact O-N 2.64Š|
| 838 | D | 77.3 | Confident | 79.5 | Confident | 65 Ų | 65 | 62.3 Ų | 62.3 | 35% | 0.348 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -92 | 89.2 | 168.2 | -175.7 | -9.2 | 0 | 0 | 0 | 109.9 | P836 T840 K841 | P836-D838 CarbonylContact O-C 3.47Å; P836-D838 PolarHBondContact O-N 2.89Å; P836-D838 VanDerWaalsContact O-N 3.1Å; D838-T840 PolarHBondContact O-N 2.56Å; D838-T840 PolarHBondContact OD1-N 2.91Å; D838-T840 PolarHBondContact OD1-OG1 2.61Å; D838-K841 HydrophobicContact CB-CD 4.24Å; D838-K841 PolarHBondContact O-N 2.9Å; D838-K841 WeakPolarHBondContact OD2-CD 3.34Å; D838-K841 WeakPolarHBondContact OD2-CE 3.45Å; D838-K841 IonicContact OD2-NZ 3.39Å; D838-K841 PolarHBondContact OD2-NZ 2.85Å |
| 839 | C | 73.8 | Confident | 80 | Confident | 43 Ų | 43 | 61 Ų | 61 | 29% | 0.291 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -9.4 | -172.1 | 73.5 | 0 | 0 | 0 | 0 | 115.1 | A837 C942 C943 | A837-C839 PolarHBondContact O-N 2.64Å; C839-C942 HydrophobicContact CB-CB 4.17Å; C839-C943 HydrophobicContact CB-CB 3.93Å; C839-C943 WeakPolarHBondContact CB-SG 3.24Å; C839-C943 PolarHBondContact O-N 3.07Å; C839-C943 PolarHBondContact O-SG 2.97Å; C839-C943 WeakPolarHBondContact SG-CA 3.38Å; C839-C943 WeakPolarHBondContact SG-CB 3.37Å; C839-C943 CovalentContact SG-SG 2.05Å; C839-C943 PolarHBondContact SG-SG 3.24Å |
| 840 | T | 75 | Confident | 80.4 | Confident | 103 Ų | 103 | 58.8 Ų | 58.8 | 63% | 0.632 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -16.8 | -177.6 | 66.9 | 0 | 0 | 0 | 0 | 113.6 | D838 | D838-T840 PolarHBondContact O-N 2.56Å; D838-T840 PolarHBondContact OD1-N 2.91Å; D838-T840 PolarHBondContact OD1-OG1 2.61Å |
| 841 | K | 73.1 | Confident | 80.6 | Confident | 158 Ų | 158 | 55.4 Ų | 55.4 | 69% | 0.687 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -91.9 | -9.1 | -169.6 | -74.3 | 173.7 | 174.3 | 143.7 | 0 | 115.4 | D838 | D838-K841 HydrophobicContact CB-CD 4.24Å; D838-K841 PolarHBondContact O-N 2.9Å; D838-K841 WeakPolarHBondContact OD2-CD 3.34Å; D838-K841 WeakPolarHBondContact OD2-CE 3.45Å; D838-K841 IonicContact OD2-NZ 3.39Å; D838-K841 PolarHBondContact OD2-NZ 2.85Å |
| 842 | S | 80.4 | Confident | 80.9 | Confident | 33 Ų | 33 | 52.8 Ų | 52.8 | 23% | 0.231 | 31% | 0.309 | C | S | . | . | trans | -149.5 | 171.1 | -178.8 | 65.3 | 0 | 0 | 0 | 0 | 113 | D834 P836 C942 | D834-S842 VanDerWaalsContact O-CB 3.28Å; D834-S842 WeakPolarHBondContact O-CB 3.38Å; D834-S842 PolarHBondContact O-OG 2.84Å; P836-S842 WeakPolarHBondContact CD-OG 3.47Å; S842-C942 PolarHBondContact O-N 3.4Å; S842-C942 VanDerWaalsContact O-N 3.1Å; S842-C942 PolarHBondContact OG-SG 2.85Å | ||
| 843 | S | 84.1 | Confident | 80.2 | Confident | 73 Ų | 73 | 54.4 Ų | 54.4 | 51% | 0.51 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 145.2 | 178.7 | 57.6 | 0 | 0 | 0 | 0 | 110.4 | S940 | S843-S940 CarbonylContact C-O 3.41Å; S843-S940 WeakPolarHBondContact CA-O 3.44Å; S843-S940 WeakPolarHBondContact CB-O 3.41Å |
| 844 | W | 87.1 | Confident | 79.6 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 0% | 0.004 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 155.3 | 170.4 | 65.9 | -79.6 | 0 | 0 | 0 | 110.6 | Q832 V846 Y938 T939 S940 S944 L963 T964 | Q832-W844 WeakPolarHBondContact O-CA 3.4Å; W844-V846 HydrophobicContact CE3-CB 4.47Å; W844-V846 HydrophobicContact CE3-CG1 4.28Å; W844-V846 HydrophobicContact CH2-CG1 4.35Å; W844-V846 HydrophobicContact CZ3-CB 4.08Å; W844-V846 HydrophobicContact CZ3-CG1 3.54Å; W844-Y938 AromaticContact CH2-CD1 3.67Å; W844-Y938 HydrophobicContact CH2-CD1 3.67Å; W844-Y938 AromaticContact CH2-CE1 3.72Å; W844-Y938 HydrophobicContact CH2-CE1 3.72Å; W844-Y938 AromaticContact CZ2-CD1 3.96Å; W844-Y938 HydrophobicContact CZ2-CD1 3.96Å; W844-Y938 AromaticContact CZ2-CE1 3.56Å; W844-Y938 HydrophobicContact CZ2-CE1 3.56Å; W844-Y938 HydrophobicContact CZ3-CD1 4.09Å; W844-T939 WeakPolarHBondContact O-CA 3.09Å; W844-S940 PolarHBondContact N-O 3.23Å; W844-S940 PolarHBondContact O-N 3.2Å; W844-S944 WeakPolarHBondContact CZ2-O 3.35Å; W844-S944 PolarHBondContact NE1-O 3.25Å; W844-L963 HydrophobicContact CH2-CB 3.95Å; W844-L963 HydrophobicContact CZ3-CB 4.43Å; W844-T964 VanDerWaalsContact CZ3-O 3.27Å; W844-T964 WeakPolarHBondContact CZ3-O 3.18Å |
| 845 | R | 87.9 | Confident | 79.1 | Confident | 84 Ų | 84 | 56.1 Ų | 56.1 | 32% | 0.317 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 137.3 | -179.3 | -179.7 | -178.6 | -74.1 | 161.8 | -0.4 | 109.8 | W830 Q832 E880 V937 Y938 T939 | W830-R845 HydrophobicContact CH2-CG 3.93Å; W830-R845 HydrophobicContact CZ3-CB 4.44Å; W830-R845 HydrophobicContact CZ3-CG 4.05Å; Q832-R845 PolarHBondContact N-O 2.7Å; Q832-R845 PolarHBondContact O-N 3.35Å; R845-E880 IonicContact NH1-OE1 2.67Å; R845-E880 PolarHBondContact NH1-OE1 3.05Å; R845-V937 HydrophobicContact CG-CG1 3.69Å; R845-Y938 VanDerWaalsContact CA-O 3.28Å; R845-Y938 WeakPolarHBondContact CA-O 3.17Å; R845-Y938 WeakPolarHBondContact CG-O 3.35Å; R845-T939 PolarHBondContact NE-OG1 3.39Å |
| 846 | V | 87.9 | Confident | 79.1 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 136 | 171.7 | 57 | 0 | 0 | 0 | 0 | 109.6 | I831 W844 L848 V937 Y938 L963 | I831-V846 HydrophobicContact CG1-CB 4.12Å; I831-V846 HydrophobicContact CG1-CG2 3.65Å; W844-V846 HydrophobicContact CE3-CB 4.47Å; W844-V846 HydrophobicContact CE3-CG1 4.28Å; W844-V846 HydrophobicContact CH2-CG1 4.35Å; W844-V846 HydrophobicContact CZ3-CB 4.08Å; W844-V846 HydrophobicContact CZ3-CG1 3.54Å; V846-L848 HydrophobicContact CG1-CD1 4.34Å; V846-L848 HydrophobicContact CG2-CD1 4.25Å; V846-L848 HydrophobicContact CG2-CG 4.14Å; V846-V937 CarbonylContact O-C 3.56Å; V846-V937 WeakPolarHBondContact O-CA 3.16Å; V846-Y938 HydrophobicContact CG1-CD1 4.35Å; V846-Y938 PolarHBondContact N-O 3.11Å; V846-Y938 PolarHBondContact O-N 3.4Å; V846-L963 HydrophobicContact CG1-CB 4.24Å; V846-L963 HydrophobicContact CG1-CD1 4.18Å |
| 847 | S | 87.8 | Confident | 79.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 132.8 | 168.2 | -172.5 | 0 | 0 | 0 | 0 | 109.9 | A829 W830 V936 | A829-S847 WeakPolarHBondContact CB-O 3.36Å; A829-S847 PolarHBondContact N-O 2.81Å; W830-S847 PolarHBondContact N-O 3.08Å; W830-S847 PolarHBondContact O-N 3.12Å; S847-V936 CarbonylContact C-O 3.56Å; S847-V936 VanDerWaalsContact CA-O 3.28Å; S847-V936 WeakPolarHBondContact CA-O 3.14Å |
| 848 | L | 88.3 | Confident | 80.3 | Confident | 6 Ų | 6 | 47.1 Ų | 47.1 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 147.2 | 175.6 | -53.2 | 111 | 0 | 0 | 0 | 110.7 | C826 S827 V846 W935 V936 L963 | C826-L848 HydrophobicContact CB-CD2 4.49Å; S827-L848 CarbonylContact O-C 3.6Å; S827-L848 VanDerWaalsContact O-CA 3.3Å; S827-L848 WeakPolarHBondContact O-CA 3.28Å; V846-L848 HydrophobicContact CG1-CD1 4.34Å; V846-L848 HydrophobicContact CG2-CD1 4.25Å; V846-L848 HydrophobicContact CG2-CG 4.14Å; L848-W935 WeakPolarHBondContact O-CA 3.46Å; L848-V936 PolarHBondContact N-O 2.04Å; L848-V936 PolarHBondContact O-N 2.97Å; L848-L963 HydrophobicContact CD1-CD1 4.02Å; L848-L963 HydrophobicContact CD1-CD2 3.48Å; L848-L963 VanDerWaalsContact CD1-CD2 3.48Å; L848-L963 HydrophobicContact CD1-CG 4.41Å; L848-L963 HydrophobicContact CD2-CD2 3.55Å; L848-L963 HydrophobicContact CG-CD2 4.1Å |
| 849 | V | 88.9 | Confident | 80.7 | Confident | 25 Ų | 25 | 45 Ų | 45 | 15% | 0.152 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 125.7 | 160.1 | -171.7 | 0 | 0 | 0 | 0 | 107.2 | S827 A829 P933 W935 | S827-V849 PolarHBondContact N-O 3.02Å; S827-V849 PolarHBondContact O-N 3.3Å; S827-V849 PolarHBondContact OG-O 3.16Å; A829-V849 HydrophobicContact CB-CG2 4.14Å; V849-P933 HydrophobicContact CG1-CB 3.48Å; V849-P933 VanDerWaalsContact CG1-CB 3.48Å; V849-P933 HydrophobicContact CG1-CG 4.12Å; V849-W935 HydrophobicContact CG2-CD2 4.15Å; V849-W935 HydrophobicContact CG2-CE3 3.92Å; V849-W935 HydrophobicContact CG2-CH2 3.59Å; V849-W935 HydrophobicContact CG2-CZ2 3.81Å; V849-W935 HydrophobicContact CG2-CZ3 3.65Å |
| 850 | V | 88.6 | Confident | 81.4 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 117.4 | 176.9 | 179.2 | 0 | 0 | 0 | 0 | 107.4 | S825 L858 L861 P933 L934 V936 V951 | S825-V850 WeakPolarHBondContact O-CA 3.23Å; V850-L858 HydrophobicContact CG1-CD1 3.99Å; V850-L858 HydrophobicContact CG1-CD2 4.05Å; V850-L861 HydrophobicContact CG2-CD2 4.46Å; V850-P933 CarbonylContact O-C 3.59Å; V850-P933 WeakPolarHBondContact O-CA 3.47Å; V850-P933 WeakPolarHBondContact O-CB 3.06Å; V850-L934 PolarHBondContact N-O 2.98Å; V850-L934 PolarHBondContact O-N 3.16Å; V850-V936 HydrophobicContact CG2-CB 4.47Å; V850-V936 HydrophobicContact CG2-CG2 3.7Å; V850-V951 HydrophobicContact CG1-CB 4.27Å; V850-V951 HydrophobicContact CG1-CG1 3.43Å; V850-V951 VanDerWaalsContact CG1-CG1 3.43Å; V850-V951 HydrophobicContact CG1-CG2 3.89Å |
| 851 | S | 86.6 | Confident | 82.1 | Confident | 15 Ų | 15 | 38.7 Ų | 38.7 | 11% | 0.105 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 161.4 | 177.7 | 67.1 | 0 | 0 | 0 | 0 | 111.3 | P824 S825 D853 | P824-S851 CarbonylContact C-O 3.48Å; P824-S851 WeakPolarHBondContact CA-O 3.4Å; P824-S851 WeakPolarHBondContact CB-O 3.34Å; S825-S851 PolarHBondContact N-O 3.18Å; S825-S851 PolarHBondContact O-N 3.3Å; S825-S851 VanDerWaalsContact O-N 3.14Å; S825-S851 PolarHBondContact OG-OG 3.22Å; S851-D853 VanDerWaalsContact CB-OD1 3.32Å; S851-D853 WeakPolarHBondContact CB-OD1 3.03Å; S851-D853 PolarHBondContact OG-OD1 3.39Å |
| 852 | D | 83.5 | Confident | 82.9 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.011 | 18% | 0.181 | C | C | . | . | trans | -119.7 | 122.3 | 153 | 174.1 | 12.8 | 0 | 0 | 0 | 105.5 | V854 S856 G857 L858 | D852-V854 VanDerWaalsContact C-N 3.33Å; D852-V854 PolarHBondContact OD1-N 2.87Å; D852-S856 PolarHBondContact OD2-OG 3.16Å; D852-G857 WeakPolarHBondContact OD2-CA 3.15Å; D852-G857 PolarHBondContact OD2-N 3.48Å; D852-L858 HydrophobicContact CB-CD2 4Å; D852-L858 HydrophobicContact CB-CG 4.24Å | ||
| 853 | D | 66.7 | Low | 83.3 | Confident | 125 Ų | 125 | 31.2 Ų | 31.2 | 67% | 0.668 | 17% | 0.17 | S | C | * | . | trans | -89.3 | -9.4 | -173.6 | -63.2 | -5.4 | 0 | 0 | 0 | 111 | S851 | S851-D853 VanDerWaalsContact CB-OD1 3.32Å; S851-D853 WeakPolarHBondContact CB-OD1 3.03Å; S851-D853 PolarHBondContact OG-OD1 3.39Å | ||
| 854 | V | 63 | Low | 83.3 | Confident | 49 Ų | 49 | 30.2 Ų | 30.2 | 30% | 0.297 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -103.7 | 168.7 | 176.6 | -171.8 | 0 | 0 | 0 | 0 | 109.9 | D820 D852 S856 | D820-V854 HydrophobicContact CB-CG1 3.95Å; D820-V854 WeakPolarHBondContact OD1-CB 3.38Å; D820-V854 WeakPolarHBondContact OD1-CG1 3.31Å; D820-V854 WeakPolarHBondContact OD2-CB 3.47Å; D820-V854 WeakPolarHBondContact OD2-CG1 3.34Å; D852-V854 VanDerWaalsContact C-N 3.33Å; D852-V854 PolarHBondContact OD1-N 2.87Å; V854-S856 VanDerWaalsContact C-N 3.29Å; V854-S856 PolarHBondContact O-N 3.35Å |
| 855 | H | 62.5 | Low | 83.2 | Confident | 166 Ų | 166 | 35.5 Ų | 35.5 | 77% | 0.769 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -73.3 | -9.7 | -164.5 | -69.8 | 0.3 | 0 | 0 | 0 | 115.5 | S930 | H855-S930 WeakPolarHBondContact O-CB 3.49Å; H855-S930 PolarHBondContact O-OG 3.03Å |
| 856 | S | 75.6 | Confident | 83 | Confident | 26 Ų | 26 | 32.5 Ų | 32.5 | 18% | 0.182 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -72.8 | -41.4 | -174.1 | 81.9 | 0 | 0 | 0 | 0 | 112.4 | D820 D852 V854 D953 K954 | D820-S856 WeakPolarHBondContact OD2-CB 3.32Å; D820-S856 PolarHBondContact OD2-OG 2.99Å; D852-S856 PolarHBondContact OD2-OG 3.16Å; V854-S856 VanDerWaalsContact C-N 3.29Å; V854-S856 PolarHBondContact O-N 3.35Å; S856-D953 WeakPolarHBondContact OG-CB 3.11Å; S856-K954 WeakPolarHBondContact O-CD 3.12Å; S856-K954 WeakPolarHBondContact O-CE 3.49Å; S856-K954 PolarHBondContact O-NZ 3.46Å |
| 857 | G | 81.3 | Confident | 82.7 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | 80 | 154.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | D852 A859 S930 K954 | D852-G857 WeakPolarHBondContact OD2-CA 3.15Å; D852-G857 PolarHBondContact OD2-N 3.48Å; G857-A859 PolarHBondContact O-N 2.91Å; G857-S930 WeakPolarHBondContact CA-O 3.33Å; G857-K954 WeakPolarHBondContact O-CG 3.39Å; G857-K954 PolarHBondContact O-N 2.94Å | ||
| 858 | L | 86.3 | Confident | 82.7 | Confident | 14 Ų | 14 | 35.8 Ų | 35.8 | 7% | 0.073 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.9 | 135.8 | -179.4 | -59.7 | 175.3 | 0 | 0 | 0 | 113.6 | P824 V850 D852 V923 S924 L934 V951 | P824-L858 HydrophobicContact CB-CD2 3.76Å; P824-L858 HydrophobicContact CG-CD2 3.96Å; V850-L858 HydrophobicContact CG1-CD1 3.99Å; V850-L858 HydrophobicContact CG1-CD2 4.05Å; D852-L858 HydrophobicContact CB-CD2 4Å; D852-L858 HydrophobicContact CB-CG 4.24Å; L858-V923 HydrophobicContact CB-CG2 4.11Å; L858-S924 WeakPolarHBondContact O-CA 2.87Å; L858-L934 HydrophobicContact CD1-CB 4.22Å; L858-L934 HydrophobicContact CD1-CD1 3.81Å; L858-L934 HydrophobicContact CD1-CG 3.94Å; L858-V951 HydrophobicContact CD2-CG1 3.76Å |
| 859 | A | 86.4 | Confident | 82.6 | Confident | 20 Ų | 20 | 37.5 Ų | 37.5 | 17% | 0.165 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | -48.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | G857 N922 V923 S924 W952 D953 K954 | G857-A859 PolarHBondContact O-N 2.91Å; A859-N922 PolarHBondContact O-OD1 3.32Å; A859-V923 WeakPolarHBondContact O-CG2 3.48Å; A859-V923 PolarHBondContact O-N 2.84Å; A859-S924 PolarHBondContact O-N 3.16Å; A859-S924 VanDerWaalsContact O-N 3.15Å; A859-W952 PolarHBondContact N-O 3.07Å; A859-D953 VanDerWaalsContact CB-C 3.43Å; A859-D953 WeakPolarHBondContact CB-O 3.45Å; A859-K954 HydrophobicContact CB-CG 3.9Å |
| 860 | A | 87.8 | Confident | 82.6 | Confident | 15 Ų | 15 | 36.3 Ų | 36.3 | 12% | 0.124 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 159.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | P920 L921 W952 | A860-P920 HydrophobicContact CB-CB 4.19Å; A860-L921 WeakPolarHBondContact CA-O 3.3Å; A860-W952 HydrophobicContact CB-CB 4.47Å; A860-W952 HydrophobicContact CB-CE3 3.83Å; A860-W952 PolarHBondContact N-O 2.88Å; A860-W952 PolarHBondContact O-N 2.86Å |
| 861 | L | 90.6 | Very high | 82.6 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 143.6 | 169.2 | -68.7 | 90.9 | 0 | 0 | 0 | 110.7 | V850 V872 L921 V923 L934 V936 L949 L950 V951 | V850-L861 HydrophobicContact CG2-CD2 4.46Å; L861-V872 HydrophobicContact CD2-CG2 4.49Å; L861-L921 PolarHBondContact N-O 3.46Å; L861-L921 VanDerWaalsContact N-O 3.11Å; L861-L921 PolarHBondContact O-N 2.79Å; L861-V923 HydrophobicContact CD1-CB 4.27Å; L861-V923 HydrophobicContact CD1-CG1 3.71Å; L861-V923 HydrophobicContact CD1-CG2 3.59Å; L861-L934 HydrophobicContact CD1-CD1 3.76Å; L861-V936 HydrophobicContact CD2-CG2 3.79Å; L861-L949 HydrophobicContact CB-CD1 4.28Å; L861-L949 HydrophobicContact CD2-CD1 4.29Å; L861-L949 HydrophobicContact CD2-CD2 4.41Å; L861-L950 CarbonylContact C-O 3.59Å; L861-L950 VanDerWaalsContact CA-O 3.3Å; L861-L950 WeakPolarHBondContact CA-O 3.45Å; L861-V951 HydrophobicContact CD2-CG2 4.2Å; L861-V951 HydrophobicContact CG-CG1 4.36Å; L861-V951 HydrophobicContact CG-CG2 4.27Å |
| 862 | Q | 89.5 | Confident | 82.7 | Confident | 32 Ų | 32 | 36.9 Ų | 36.9 | 15% | 0.15 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 139.4 | 176.1 | -169.2 | -178.6 | 18.2 | 0 | 0 | 111.8 | Q864 E918 P920 L949 L950 W952 | Q862-Q864 PolarHBondContact O-N 3.27Å; Q862-E918 WeakPolarHBondContact CG-O 3.41Å; Q862-E918 PolarHBondContact NE2-O 3.14Å; Q862-P920 HydrophobicContact CB-CB 4.25Å; Q862-P920 HydrophobicContact CB-CG 4.24Å; Q862-P920 HydrophobicContact CG-CG 4.31Å; Q862-L949 WeakPolarHBondContact O-CD1 3.45Å; Q862-L950 PolarHBondContact N-O 3.12Å; Q862-L950 PolarHBondContact O-N 2.94Å; Q862-W952 HydrophobicContact CB-CH2 3.66Å; Q862-W952 HydrophobicContact CB-CZ3 3.56Å |
| 863 | M | 88.6 | Confident | 82.7 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 108 | 170.5 | -155.9 | 71.7 | -150.2 | 0 | 0 | 110 | K865 L870 T916 Y938 A947 L963 | M863-K865 WeakPolarHBondContact CE-O 3.36Å; M863-L870 HydrophobicContact SD-CB 3.9Å; M863-L870 HydrophobicContact SD-CD1 3.89Å; M863-L870 HydrophobicContact SD-CD2 3.9Å; M863-L870 HydrophobicContact SD-CG 4.12Å; M863-T916 WeakPolarHBondContact O-CA 3.48Å; M863-Y938 HydrophobicContact CE-CD2 3.88Å; M863-Y938 HydrophobicContact CE-CE2 3.56Å; M863-Y938 HydrophobicContact SD-CD2 4.1Å; M863-Y938 HydrophobicContact SD-CE2 4.08Å; M863-A947 HydrophobicContact CE-CB 3.42Å; M863-A947 VanDerWaalsContact CE-CB 3.42Å; M863-L963 HydrophobicContact CE-CD1 4.39Å |
| 864 | Q | 83.9 | Confident | 83.4 | Confident | 52 Ų | 52 | 33.3 Ų | 33.3 | 24% | 0.243 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -36.7 | -174.4 | -174.8 | 68.5 | -5.3 | 0 | 0 | 112.7 | D289 Q862 E948 L950 | D289-Q864 PolarHBondContact OD1-NE2 3.12Å; Q862-Q864 PolarHBondContact O-N 3.27Å; Q864-E948 HydrophobicContact CB-CB 4.19Å; Q864-E948 PolarHBondContact N-O 3.44Å; Q864-L950 HydrophobicContact CB-CD1 3.86Å; Q864-L950 HydrophobicContact CB-CG 3.85Å; Q864-L950 HydrophobicContact CG-CD1 3.94Å; Q864-L950 HydrophobicContact CG-CG 4.33Å |
| 865 | K | 84.6 | Confident | 84 | Confident | 112 Ų | 112 | 36.5 Ų | 36.5 | 49% | 0.487 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 150 | 174.7 | -58.1 | -175 | -163 | 156.6 | 0 | 111.2 | M863 A947 E948 | M863-K865 WeakPolarHBondContact CE-O 3.36Å; K865-A947 CarbonylContact O-C 3.56Å; K865-A947 VanDerWaalsContact O-CA 3.29Å; K865-A947 WeakPolarHBondContact O-CA 3.3Å; K865-A947 WeakPolarHBondContact O-CB 3.05Å; K865-E948 HydrophobicContact CB-CB 4.09Å; K865-E948 HydrophobicContact CB-CG 4.39Å; K865-E948 HydrophobicContact CD-CG 4.36Å; K865-E948 WeakPolarHBondContact CD-OE1 3.38Å; K865-E948 VanDerWaalsContact CE-OE1 3.25Å; K865-E948 WeakPolarHBondContact CE-OE1 3.43Å; K865-E948 HydrophobicContact CG-CB 4.37Å; K865-E948 PolarHBondContact N-O 3.34Å; K865-E948 IonicContact NZ-OE1 2.93Å; K865-E948 PolarHBondContact NZ-OE1 3.43Å; K865-E948 IonicContact NZ-OE2 3.19Å; K865-E948 PolarHBondContact O-N 2.87Å |
| 866 | G | 83.8 | Confident | 84.5 | Confident | 21 Ų | 21 | 32.6 Ų | 32.6 | 22% | 0.216 | 20% | 0.196 | C | C | . | . | trans | 137.9 | 151.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T916 Y938 | G866-T916 PolarHBondContact N-OG1 3.43Å; G866-T916 WeakPolarHBondContact O-CB 3.04Å; G866-T916 PolarHBondContact O-OG1 2.71Å; G866-Y938 WeakPolarHBondContact CA-OH 3.14Å | ||
| 867 | G | 82.9 | Confident | 84.1 | Confident | 61 Ų | 61 | 32.4 Ų | 32.4 | 63% | 0.629 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -87 | 1.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y938 S944 | G867-Y938 PolarHBondContact N-OH 3.42Å; G867-S944 PolarHBondContact N-OG 2.76Å |
| 868 | G | 86.4 | Confident | 83 | Confident | 10 Ų | 10 | 35.8 Ų | 35.8 | 10% | 0.103 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -100.8 | -168.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y938 T939 S940 | G868-Y938 WeakPolarHBondContact CA-OH 3.37Å; G868-Y938 PolarHBondContact N-OH 3.17Å; G868-T939 CarbonylContact C-O 3.49Å; G868-T939 WeakPolarHBondContact CA-O 3.08Å; G868-S940 WeakPolarHBondContact CA-OG 3.12Å; G868-S940 PolarHBondContact N-OG 3.31Å; G868-S940 VanDerWaalsContact N-OG 3.16Å |
| 869 | V | 88.2 | Confident | 81.3 | Confident | 42 Ų | 42 | 43.1 Ų | 43.1 | 26% | 0.255 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 131.8 | 175.2 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | R913 R915 T939 | V869-R913 HydrophobicContact CG1-CB 4.11Å; V869-R913 HydrophobicContact CG1-CG 4.24Å; V869-R915 HydrophobicContact CG2-CG 4.37Å; V869-T939 PolarHBondContact N-O 3.48Å; V869-T939 PolarHBondContact O-N 3.09Å |
| 870 | L | 88.4 | Confident | 79.6 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 132.4 | 173.9 | -164.5 | 77.5 | 0 | 0 | 0 | 109.3 | M863 V872 R913 L914 V936 V937 Y938 L949 L963 | M863-L870 HydrophobicContact SD-CB 3.9Å; M863-L870 HydrophobicContact SD-CD1 3.89Å; M863-L870 HydrophobicContact SD-CD2 3.9Å; M863-L870 HydrophobicContact SD-CG 4.12Å; L870-V872 HydrophobicContact CD2-CG2 4.39Å; L870-R913 CarbonylContact O-C 3.6Å; L870-R913 VanDerWaalsContact O-CA 3.24Å; L870-R913 WeakPolarHBondContact O-CA 3.45Å; L870-L914 HydrophobicContact CB-CB 4.25Å; L870-L914 HydrophobicContact CD2-CB 4.47Å; L870-L914 HydrophobicContact CD2-CD1 4.26Å; L870-L914 PolarHBondContact N-O 2.73Å; L870-L914 PolarHBondContact O-N 3.49Å; L870-V936 HydrophobicContact CD1-CG1 3.31Å; L870-V936 HydrophobicContact CD2-CG1 3.79Å; L870-V936 HydrophobicContact CG-CG1 3.47Å; L870-V936 VanDerWaalsContact CG-CG1 3.47Å; L870-V937 CarbonylContact C-O 3.56Å; L870-Y938 HydrophobicContact CB-CD2 4.25Å; L870-Y938 HydrophobicContact CD1-CD2 3.85Å; L870-Y938 HydrophobicContact CD1-CG 4.19Å; L870-L949 HydrophobicContact CD2-CD1 3.55Å; L870-L949 HydrophobicContact CD2-CD2 4.42Å; L870-L963 HydrophobicContact CD1-CD1 4.45Å |
| 871 | T | 88.8 | Confident | 77.1 | Confident | 26 Ų | 26 | 54.7 Ų | 54.7 | 16% | 0.16 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 122.2 | 173.7 | -50.3 | 0 | 0 | 0 | 0 | 109.9 | F873 A912 R913 V936 V937 | T871-F873 HydrophobicContact CG2-CD2 4.3Å; T871-F873 HydrophobicContact CG2-CE1 4.12Å; T871-F873 HydrophobicContact CG2-CE2 3.56Å; T871-F873 HydrophobicContact CG2-CZ 3.45Å; T871-F873 VanDerWaalsContact CG2-CZ 3.45Å; T871-F873 WeakPolarHBondContact O-CD2 3.22Å; T871-F873 WeakPolarHBondContact O-CE2 3.26Å; T871-A912 CarbonylContact C-O 3.54Å; T871-A912 WeakPolarHBondContact CA-O 3.29Å; T871-R913 HydrophobicContact CG2-CG 4.16Å; T871-V936 CarbonylContact O-C 3.52Å; T871-V936 WeakPolarHBondContact O-CA 3.36Å; T871-V937 PolarHBondContact N-O 2.9Å; T871-V937 PolarHBondContact O-N 3.26Å |
| 872 | V | 87.7 | Confident | 74.6 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 131.2 | -178.2 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | L861 L870 T911 A912 L914 L921 W926 L934 V936 | L861-V872 HydrophobicContact CD2-CG2 4.49Å; L870-V872 HydrophobicContact CD2-CG2 4.39Å; V872-T911 VanDerWaalsContact O-CA 3.28Å; V872-T911 WeakPolarHBondContact O-CA 3.11Å; V872-A912 PolarHBondContact N-O 3.49Å; V872-A912 PolarHBondContact O-N 2.91Å; V872-A912 VanDerWaalsContact O-N 3.14Å; V872-L914 HydrophobicContact CG2-CD1 4.26Å; V872-L921 HydrophobicContact CB-CD2 4.28Å; V872-L921 HydrophobicContact CG2-CD2 4.16Å; V872-W926 HydrophobicContact CG1-CZ3 4.13Å; V872-L934 HydrophobicContact CG1-CD1 4.32Å; V872-V936 HydrophobicContact CG1-CG2 4.49Å; V872-V936 HydrophobicContact CG2-CG1 4.39Å; V872-V936 HydrophobicContact CG2-CG2 4.42Å |
| 873 | F | 84.7 | Confident | 72.3 | Confident | 37 Ų | 37 | 63.6 Ų | 63.6 | 16% | 0.162 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 135 | -177.2 | -57.7 | -97 | 0 | 0 | 0 | 111.7 | T871 K875 P877 T911 W935 V937 | T871-F873 HydrophobicContact CG2-CD2 4.3Å; T871-F873 HydrophobicContact CG2-CE1 4.12Å; T871-F873 HydrophobicContact CG2-CE2 3.56Å; T871-F873 HydrophobicContact CG2-CZ 3.45Å; T871-F873 VanDerWaalsContact CG2-CZ 3.45Å; T871-F873 WeakPolarHBondContact O-CD2 3.22Å; T871-F873 WeakPolarHBondContact O-CE2 3.26Å; F873-K875 VanDerWaalsContact C-N 3.26Å; F873-K875 VanDerWaalsContact CB-O 3.24Å; F873-K875 WeakPolarHBondContact CB-O 3.42Å; F873-K875 PolarHBondContact O-N 2.8Å; F873-P877 HydrophobicContact CD2-CB 4.43Å; F873-P877 HydrophobicContact CE1-CB 4.47Å; F873-P877 HydrophobicContact CE2-CB 4.38Å; F873-P877 HydrophobicContact CZ-CB 4.4Å; F873-T911 HydrophobicContact CD1-CG2 3.63Å; F873-T911 HydrophobicContact CE1-CG2 4.05Å; F873-T911 HydrophobicContact CG-CG2 4.47Å; F873-W935 HydrophobicContact CB-CB 4.24Å; F873-W935 PolarHBondContact N-O 3.04Å; F873-W935 PolarHBondContact O-N 3.14Å; F873-W935 VanDerWaalsContact O-N 3.14Å; F873-V937 HydrophobicContact CD2-CG2 4.3Å; F873-V937 HydrophobicContact CE2-CB 4.05Å; F873-V937 HydrophobicContact CE2-CG2 3.74Å |
| 874 | S | 80.1 | Confident | 69.7 | Low | 16 Ų | 16 | 72.2 Ų | 72.2 | 11% | 0.112 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -79.4 | 1 | 176.4 | 51 | 0 | 0 | 0 | 0 | 114.9 | R910 R927 | S874-R910 WeakPolarHBondContact CB-O 3.29Å; S874-R910 PolarHBondContact N-O 3.39Å; S874-R910 VanDerWaalsContact N-O 3.16Å; S874-R910 PolarHBondContact OG-N 2.93Å; S874-R910 PolarHBondContact OG-O 3.15Å; S874-R927 VanDerWaalsContact C-NH2 3.3Å; S874-R927 PolarHBondContact O-NH2 3.01Å |
| 875 | K | 75.1 | Confident | 67.4 | Low | 116 Ų | 116 | 79.2 Ų | 79.2 | 50% | 0.504 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -150.3 | 167.4 | 172.5 | -76.4 | -168.2 | -173.8 | 169.9 | 0 | 108.3 | F873 | F873-K875 VanDerWaalsContact C-N 3.26Å; F873-K875 VanDerWaalsContact CB-O 3.24Å; F873-K875 WeakPolarHBondContact CB-O 3.42Å; F873-K875 PolarHBondContact O-N 2.8Å |
| 876 | P | 74.1 | Confident | 64.6 | Low | 83 Ų | 83 | 78.4 Ų | 78.4 | 54% | 0.539 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -52.1 | 134.9 | 173 | -22.8 | 31.1 | 0 | 0 | 0 | 111.1 | W935 | P876-W935 HydrophobicContact CB-CD2 4.17Å; P876-W935 HydrophobicContact CB-CZ2 4.12Å; P876-W935 HydrophobicContact CG-CD2 4.49Å; P876-W935 HydrophobicContact CG-CZ2 3.97Å |
| 877 | P | 67.3 | Low | 62 | Low | 23 Ų | 23 | 85.7 Ų | 85.7 | 15% | 0.149 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 146.9 | 171.1 | 28.9 | -34 | 0 | 0 | 0 | 109.4 | F873 V937 | F873-P877 HydrophobicContact CD2-CB 4.43Å; F873-P877 HydrophobicContact CE1-CB 4.47Å; F873-P877 HydrophobicContact CE2-CB 4.38Å; F873-P877 HydrophobicContact CZ-CB 4.4Å; P877-V937 HydrophobicContact CG-CG2 4.22Å |
| 878 | P | 57.1 | Low | 59.5 | Low | 71 Ų | 71 | 88.7 Ų | 88.7 | 46% | 0.461 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 141.2 | 172.7 | 25.9 | -30.9 | 0 | 0 | 0 | 110 | F883 | P878-F883 HydrophobicContact CG-CE2 3.77Å; P878-F883 HydrophobicContact CG-CZ 4.22Å |
| 879 | M | 51.1 | Low | 56.7 | Low | 168 Ų | 168 | 94.9 Ų | 94.9 | 83% | 0.828 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -71.5 | 162.3 | 173.9 | -66.3 | -141.2 | -61.6 | 0 | 0 | 111.1 | D881 | M879-D881 PolarHBondContact O-N 3.17Š|
| 880 | E | 50.3 | Low | 53.9 | Low | 103 Ų | 103 | 99 Ų | 99 | 48% | 0.481 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -65.7 | 6.7 | -151 | -85.9 | -178.1 | 150.9 | 0 | 0 | 119.3 | R845 S882 | R845-E880 IonicContact NH1-OE1 2.67Å; R845-E880 PolarHBondContact NH1-OE1 3.05Å; E880-S882 PolarHBondContact O-N 3.3Å |
| 881 | D | 36.9 | Very low | 51.2 | Low | 174 Ų | 174 | 106.1 Ų | 106.1 | 93% | 0.93 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -87.5 | 9.5 | -179.3 | -72.3 | -28.5 | 0 | 0 | 0 | 115.1 | M879 | M879-D881 PolarHBondContact O-N 3.17Š|
| 882 | S | 37.8 | Very low | 48.5 | Very low | 79 Ų | 79 | 112 Ų | 112 | 55% | 0.552 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -146.4 | 38.1 | -178.7 | 82 | 0 | 0 | 0 | 0 | 115.4 | E880 | E880-S882 PolarHBondContact O-N 3.3Š|
| 883 | F | 40.3 | Very low | 45.7 | Very low | 141 Ų | 141 | 121.5 Ų | 121.5 | 62% | 0.618 | 64% | 0.636 | S | S | * | * | trans | -110.8 | 2 | 175.1 | -95.8 | -70 | 0 | 0 | 0 | 115.2 | P878 | P878-F883 HydrophobicContact CG-CE2 3.77Å; P878-F883 HydrophobicContact CG-CZ 4.22Å | ||
| 884 | E | 33.7 | Very low | 42.9 | Very low | 182 Ų | 182 | 130.6 Ų | 130.6 | 85% | 0.85 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -89.2 | 143.2 | 154.7 | -64.7 | -168.5 | 142.1 | 0 | 0 | 108.8 | ||
| 885 | E | 35.5 | Very low | 40.8 | Very low | 199 Ų | 199 | 135.3 Ų | 135.3 | 93% | 0.93 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 67.1 | 61.5 | -179.8 | -54.9 | -162.6 | 147.3 | 0 | 0 | 118.6 | ||
| 886 | A | 27.1 | Very low | 38.6 | Very low | 94 Ų | 94 | 138 Ų | 138 | 78% | 0.777 | 71% | 0.714 | S | S | * | * | trans | -156.2 | 83.4 | 141.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | P888 | A886-P888 WeakPolarHBondContact O-CD 3.47Š| ||
| 887 | L | 28.4 | Very low | 36.4 | Very low | 174 Ų | 174 | 142.7 Ų | 142.7 | 91% | 0.911 | 73% | 0.726 | S | S | * | * | trans | -94.1 | 110.2 | 158.8 | -85.7 | 155.5 | 0 | 0 | 0 | 108.7 | ||||
| 888 | P | 30.6 | Very low | 34.9 | Very low | 124 Ų | 124 | 149 Ų | 149 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | trans | -88.2 | 116.2 | 157.1 | 3.7 | 16.1 | 0 | 0 | 0 | 107.9 | A886 | A886-P888 WeakPolarHBondContact O-CD 3.47Š| ||
| 889 | D | 28 | Very low | 33.5 | Very low | 141 Ų | 141 | 155.6 Ų | 155.6 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | trans | -82.7 | 161.8 | -177.8 | -147 | -3.6 | 0 | 0 | 0 | 112.6 | ||||
| 890 | L | 28.5 | Very low | 32.7 | Very low | 128 Ų | 128 | 153.5 Ų | 153.5 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | trans | 65.1 | 113.9 | 163.2 | -97.4 | 74 | 0 | 0 | 0 | 122.2 | ||||
| 891 | E | 31.6 | Very low | 31.8 | Very low | 150 Ų | 150 | 155.8 Ų | 155.8 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | 69.3 | 147.9 | 115.6 | -83.6 | -164.8 | 172.3 | 0 | 0 | 125.4 | |||||
| 892 | H | 32.4 | Very low | 31.2 | Very low | 148 Ų | 148 | 151.1 Ų | 151.1 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | trans | 64.7 | 99.7 | 154.7 | -79.7 | 86.7 | 0 | 0 | 0 | 120.1 | ||||
| 893 | Q | 28.4 | Very low | 31.2 | Very low | 201 Ų | 201 | 156.6 Ų | 156.6 | 94% | 0.939 | 81% | 0.807 | S | S | * | * | trans | -132.4 | 103.7 | 142.3 | -73.5 | -164.1 | -5.9 | 0 | 0 | 112.2 | ||||
| 894 | R | 26.1 | Very low | 30.7 | Very low | 228 Ų | 228 | 158.1 Ų | 158.1 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -82.1 | 154.4 | 154.4 | -82.2 | -176.8 | 175.2 | 179 | -0.4 | 109.3 | ||||
| 895 | P | 37.2 | Very low | 30.9 | Very low | 114 Ų | 114 | 160.5 Ų | 160.5 | 74% | 0.74 | 82% | 0.817 | S | S | * | * | trans | -86.9 | 135.8 | -173.8 | 33.2 | -33.8 | 0 | 0 | 0 | 112.8 | ||||
| 896 | H | 27.7 | Very low | 30.8 | Very low | 174 Ų | 174 | 158.1 Ų | 158.1 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | trans | -162.9 | 127.5 | 147.8 | -102 | -33.7 | 0 | 0 | 0 | 116.8 | ||||
| 897 | K | 28.8 | Very low | 31.3 | Very low | 181 Ų | 181 | 161.1 Ų | 161.1 | 79% | 0.787 | 80% | 0.803 | S | S | * | * | trans | 50.2 | 114.5 | 138.9 | -73.5 | 178.4 | 174.1 | 177.4 | 0 | 121.6 | ||||
| 898 | N | 35.9 | Very low | 32.4 | Very low | 155 Ų | 155 | 160.2 Ų | 160.2 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | 26.8 | 115.3 | 136.6 | -64.2 | 5.4 | 0 | 0 | 0 | 120.1 | ||||
| 899 | K | 26.6 | Very low | 33.9 | Very low | 210 Ų | 210 | 160.3 Ų | 160.3 | 91% | 0.913 | 78% | 0.783 | S | S | * | * | -159.6 | 165 | 120.5 | -110.9 | 169.6 | -176.1 | -179.5 | 0 | 112 | |||||
| 900 | T | 36.1 | Very low | 35.9 | Very low | 124 Ų | 124 | 158.7 Ų | 158.7 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | trans | -95.2 | 170.5 | -163.2 | 33.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 901 | T | 29.6 | Very low | 38.4 | Very low | 150 Ų | 150 | 156.8 Ų | 156.8 | 92% | 0.92 | 76% | 0.76 | S | S | * | * | trans | 89.1 | 139.3 | 165.9 | 73 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 902 | G | 25.7 | Very low | 40.8 | Very low | 77 Ų | 77 | 150.7 Ų | 150.7 | 79% | 0.794 | 74% | 0.736 | S | S | * | * | trans | 130.1 | 93.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115 | H904 | G902-H904 PolarHBondContact O-N 2.87Š| ||
| 903 | H | 37.3 | Very low | 43.4 | Very low | 194 Ų | 194 | 152.9 Ų | 152.9 | 90% | 0.898 | 74% | 0.738 | S | S | * | * | trans | -83.6 | 102.6 | 174.1 | -119.5 | -15.4 | 0 | 0 | 0 | 110.9 | ||||
| 904 | H | 30 | Very low | 46.1 | Very low | 173 Ų | 173 | 143.8 Ų | 143.8 | 80% | 0.801 | 70% | 0.696 | S | S | * | * | trans | -143.6 | 126.4 | 158 | -81.9 | -67 | 0 | 0 | 0 | 111.2 | G902 H906 | G902-H904 PolarHBondContact O-N 2.87Å; H904-H906 PolarHBondContact O-N 3.39Å | ||
| 905 | R | 36.5 | Very low | 49 | Very low | 232 Ų | 232 | 140.3 Ų | 140.3 | 88% | 0.875 | 68% | 0.683 | S | S | * | * | trans | -76.9 | 96.3 | 176.8 | -83.8 | -179.9 | 168 | 168.7 | -4.1 | 110.5 | ||||
| 906 | H | 33.8 | Very low | 51.2 | Low | 149 Ų | 149 | 137.8 Ų | 137.8 | 69% | 0.69 | 67% | 0.665 | S | S | * | * | trans | -87.6 | 115.2 | 159.7 | -77.6 | -75.9 | 0 | 0 | 0 | 110.2 | H904 H908 | H904-H906 PolarHBondContact O-N 3.39Å; H906-H908 PolarHBondContact O-CD2 2.86Å; H906-H908 PolarHBondContact O-N 2.9Å | ||
| 907 | H | 39.2 | Very low | 53.3 | Low | 157 Ų | 157 | 133 Ų | 133 | 73% | 0.727 | 66% | 0.663 | S | S | * | * | trans | -74.9 | 88.3 | 172.2 | -75 | -81.9 | 0 | 0 | 0 | 109.7 | H909 | H907-H909 PolarHBondContact O-N 3.28Š| ||
| 908 | H | 51.2 | Low | 55.7 | Low | 154 Ų | 154 | 128.2 Ų | 128.2 | 71% | 0.713 | 64% | 0.643 | S | S | * | * | trans | -61.5 | 119.5 | 179 | -68.7 | -78.1 | 0 | 0 | 0 | 111.9 | H906 R910 | H906-H908 PolarHBondContact O-CD2 2.86Å; H906-H908 PolarHBondContact O-N 2.9Å; H908-R910 PolarHBondContact O-N 3.35Å; H908-R910 VanDerWaalsContact O-N 3.1Å | ||
| 909 | H | 60.8 | Low | 57.8 | Low | 127 Ų | 127 | 125.6 Ų | 125.6 | 59% | 0.588 | 64% | 0.637 | S | S | * | * | trans | -61.3 | 107.8 | 156.8 | -91.7 | -99.3 | 0 | 0 | 0 | 107.9 | H907 | H907-H909 PolarHBondContact O-N 3.28Š| ||
| 910 | R | 70.8 | Confident | 60.5 | Low | 107 Ų | 107 | 118.8 Ų | 118.8 | 40% | 0.404 | 61% | 0.614 | S | S | . | * | trans | -87.3 | 128.6 | 172.3 | -68.5 | -170.8 | -178.1 | 165.5 | 7.6 | 110 | S874 H908 V925 W926 | S874-R910 WeakPolarHBondContact CB-O 3.29Å; S874-R910 PolarHBondContact N-O 3.39Å; S874-R910 VanDerWaalsContact N-O 3.16Å; S874-R910 PolarHBondContact OG-N 2.93Å; S874-R910 PolarHBondContact OG-O 3.15Å; H908-R910 PolarHBondContact O-N 3.35Å; H908-R910 VanDerWaalsContact O-N 3.1Å; R910-V925 PolarHBondContact NH1-O 3.37Å; R910-W926 HydrophobicContact CB-CD2 3.99Å; R910-W926 HydrophobicContact CB-CE3 3.71Å; R910-W926 HydrophobicContact CB-CH2 4.18Å; R910-W926 HydrophobicContact CB-CZ2 4.46Å; R910-W926 HydrophobicContact CB-CZ3 3.81Å; R910-W926 VanDerWaalsContact NH1-CD1 3.33Å | ||
| 911 | T | 80.3 | Confident | 63 | Low | 87 Ų | 87 | 114.4 Ų | 114.4 | 53% | 0.534 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -132.6 | 144 | 171.8 | 51.9 | 0 | 0 | 0 | 0 | 108.8 | V872 F873 | V872-T911 VanDerWaalsContact O-CA 3.28Å; V872-T911 WeakPolarHBondContact O-CA 3.11Å; F873-T911 HydrophobicContact CD1-CG2 3.63Å; F873-T911 HydrophobicContact CE1-CG2 4.05Å; F873-T911 HydrophobicContact CG-CG2 4.47Å |
| 912 | A | 83.1 | Confident | 65.7 | Low | 23 Ų | 23 | 111.9 Ų | 111.9 | 19% | 0.19 | 57% | 0.567 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -139.9 | 151.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | T871 V872 L921 W926 | T871-A912 CarbonylContact C-O 3.54Å; T871-A912 WeakPolarHBondContact CA-O 3.29Å; V872-A912 PolarHBondContact N-O 3.49Å; V872-A912 PolarHBondContact O-N 2.91Å; V872-A912 VanDerWaalsContact O-N 3.14Å; A912-L921 HydrophobicContact CB-CD1 4.07Å; A912-L921 HydrophobicContact CB-CD2 3.66Å; A912-W926 HydrophobicContact CB-CH2 3.67Å; A912-W926 HydrophobicContact CB-CZ2 4.11Å |
| 913 | R | 87 | Confident | 68.5 | Low | 193 Ų | 193 | 108.5 Ų | 108.5 | 73% | 0.728 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 139.1 | 169.8 | -72.4 | 179.4 | 173.9 | 168.4 | -0.1 | 108.8 | V869 L870 T871 | V869-R913 HydrophobicContact CG1-CB 4.11Å; V869-R913 HydrophobicContact CG1-CG 4.24Å; L870-R913 CarbonylContact O-C 3.6Å; L870-R913 VanDerWaalsContact O-CA 3.24Å; L870-R913 WeakPolarHBondContact O-CA 3.45Å; T871-R913 HydrophobicContact CG2-CG 4.16Å |
| 914 | L | 84.8 | Confident | 70.7 | Confident | 11 Ų | 11 | 101 Ų | 101 | 6% | 0.058 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 144.3 | 176.9 | -58 | 172.5 | 0 | 0 | 0 | 110.7 | L870 V872 E918 L921 | L870-L914 HydrophobicContact CB-CB 4.25Å; L870-L914 HydrophobicContact CD2-CB 4.47Å; L870-L914 HydrophobicContact CD2-CD1 4.26Å; L870-L914 PolarHBondContact N-O 2.73Å; L870-L914 PolarHBondContact O-N 3.49Å; V872-L914 HydrophobicContact CG2-CD1 4.26Å; L914-E918 VanDerWaalsContact CA-OE2 3.23Å; L914-E918 WeakPolarHBondContact CA-OE2 3.31Å; L914-L921 HydrophobicContact CD1-CB 3.67Å; L914-L921 HydrophobicContact CD1-CD2 3.95Å; L914-L921 HydrophobicContact CD1-CG 4.44Å; L914-L921 HydrophobicContact CD2-CB 3.83Å; L914-L921 HydrophobicContact CD2-CD1 4.48Å; L914-L921 HydrophobicContact CD2-CD2 4.38Å; L914-L921 HydrophobicContact CD2-CG 4.45Å; L914-L921 HydrophobicContact CG-CB 4.32Å; L914-L921 HydrophobicContact CG-CD2 4.35Å |
| 915 | R | 87.2 | Confident | 72.8 | Confident | 154 Ų | 154 | 97.8 Ų | 97.8 | 58% | 0.581 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 157.9 | 174.2 | -62.1 | -177.3 | 174.7 | -156.7 | -1.3 | 110.8 | V869 G917 E918 | V869-R915 HydrophobicContact CG2-CG 4.37Å; R915-G917 PolarHBondContact O-N 3.3Å; R915-E918 HydrophobicContact CB-CG 4.29Å; R915-E918 PolarHBondContact N-OE2 3.35Å; R915-E918 WeakPolarHBondContact O-CB 3.28Å; R915-E918 PolarHBondContact O-N 3Å; R915-E918 VanDerWaalsContact O-N 3.15Å |
| 916 | T | 83.6 | Confident | 74.6 | Confident | 61 Ų | 61 | 88.7 Ų | 88.7 | 37% | 0.374 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 127.6 | 176.7 | -60 | 0 | 0 | 0 | 0 | 111.1 | M863 G866 | M863-T916 WeakPolarHBondContact O-CA 3.48Å; G866-T916 PolarHBondContact N-OG1 3.43Å; G866-T916 WeakPolarHBondContact O-CB 3.04Å; G866-T916 PolarHBondContact O-OG1 2.71Å |
| 917 | G | 70.8 | Confident | 76.1 | Confident | 73 Ų | 73 | 84.1 Ų | 84.1 | 75% | 0.753 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.4 | -4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | R915 | R915-G917 PolarHBondContact O-N 3.3Š|
| 918 | E | 79.9 | Confident | 76.8 | Confident | 82 Ų | 82 | 85.2 Ų | 85.2 | 38% | 0.383 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 155.4 | 169.5 | -67.6 | 174.8 | 173.9 | 0 | 0 | 111.5 | Q862 L914 R915 | Q862-E918 WeakPolarHBondContact CG-O 3.41Å; Q862-E918 PolarHBondContact NE2-O 3.14Å; L914-E918 VanDerWaalsContact CA-OE2 3.23Å; L914-E918 WeakPolarHBondContact CA-OE2 3.31Å; R915-E918 HydrophobicContact CB-CG 4.29Å; R915-E918 PolarHBondContact N-OE2 3.35Å; R915-E918 WeakPolarHBondContact O-CB 3.28Å; R915-E918 PolarHBondContact O-N 3Å; R915-E918 VanDerWaalsContact O-N 3.15Å |
| 919 | S | 79.4 | Confident | 77.1 | Confident | 100 Ų | 100 | 80.1 Ų | 80.1 | 70% | 0.699 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 153.2 | 177.4 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | L921 | S919-L921 PolarHBondContact O-N 3.29Š|
| 920 | P | 84.3 | Confident | 77 | Confident | 66 Ų | 66 | 76 Ų | 76 | 43% | 0.429 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 128.6 | 177.2 | -24.5 | 32.2 | 0 | 0 | 0 | 113.1 | A860 Q862 N922 W952 | A860-P920 HydrophobicContact CB-CB 4.19Å; Q862-P920 HydrophobicContact CB-CB 4.25Å; Q862-P920 HydrophobicContact CB-CG 4.24Å; Q862-P920 HydrophobicContact CG-CG 4.31Å; P920-N922 PolarHBondContact O-N 3.17Å; P920-W952 HydrophobicContact CB-CZ3 4.19Å; P920-W952 HydrophobicContact CG-CH2 4.38Å; P920-W952 HydrophobicContact CG-CZ3 4.43Å |
| 921 | L | 87.1 | Confident | 76.6 | Confident | 33 Ų | 33 | 74.8 Ų | 74.8 | 17% | 0.173 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 113.5 | 174.9 | 179.8 | 67.9 | 0 | 0 | 0 | 109.8 | A860 L861 V872 A912 L914 S919 V923 W926 | A860-L921 WeakPolarHBondContact CA-O 3.3Å; L861-L921 PolarHBondContact N-O 3.46Å; L861-L921 VanDerWaalsContact N-O 3.11Å; L861-L921 PolarHBondContact O-N 2.79Å; V872-L921 HydrophobicContact CB-CD2 4.28Å; V872-L921 HydrophobicContact CG2-CD2 4.16Å; A912-L921 HydrophobicContact CB-CD1 4.07Å; A912-L921 HydrophobicContact CB-CD2 3.66Å; L914-L921 HydrophobicContact CD1-CB 3.67Å; L914-L921 HydrophobicContact CD1-CD2 3.95Å; L914-L921 HydrophobicContact CD1-CG 4.44Å; L914-L921 HydrophobicContact CD2-CB 3.83Å; L914-L921 HydrophobicContact CD2-CD1 4.48Å; L914-L921 HydrophobicContact CD2-CD2 4.38Å; L914-L921 HydrophobicContact CD2-CG 4.45Å; L914-L921 HydrophobicContact CG-CB 4.32Å; L914-L921 HydrophobicContact CG-CD2 4.35Å; S919-L921 PolarHBondContact O-N 3.29Å; L921-V923 HydrophobicContact CD2-CG1 3.96Å; L921-V923 HydrophobicContact CG-CG1 4.04Å; L921-V923 PolarHBondContact O-N 2.95Å; L921-W926 HydrophobicContact CD1-CZ2 4.18Å; L921-W926 HydrophobicContact CD2-CH2 4.04Å; L921-W926 HydrophobicContact CD2-CZ2 4Å; L921-W926 HydrophobicContact CG-CZ2 4.33Å |
| 922 | N | 87 | Confident | 76.1 | Confident | 97 Ų | 97 | 75.4 Ų | 75.4 | 52% | 0.519 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 113.2 | 172.8 | -173.5 | -22 | 0 | 0 | 0 | 110.7 | A859 P920 S924 W926 | A859-N922 PolarHBondContact O-OD1 3.32Å; P920-N922 PolarHBondContact O-N 3.17Å; N922-S924 WeakPolarHBondContact OD1-CB 3.24Å; N922-S924 PolarHBondContact OD1-N 2.77Å; N922-S924 PolarHBondContact OD1-OG 3.07Å; N922-W926 PolarHBondContact O-NE1 3.26Å; N922-W926 VanDerWaalsContact O-NE1 3.16Å |
| 923 | V | 85.4 | Confident | 76.1 | Confident | 5 Ų | 5 | 76.6 Ų | 76.6 | 3% | 0.03 | 43% | 0.426 | C | S | . | . | trans | -106.7 | -4.4 | 176.8 | -61.6 | 0 | 0 | 0 | 0 | 113.7 | L858 A859 L861 L921 V925 W926 L934 | L858-V923 HydrophobicContact CB-CG2 4.11Å; A859-V923 WeakPolarHBondContact O-CG2 3.48Å; A859-V923 PolarHBondContact O-N 2.84Å; L861-V923 HydrophobicContact CD1-CB 4.27Å; L861-V923 HydrophobicContact CD1-CG1 3.71Å; L861-V923 HydrophobicContact CD1-CG2 3.59Å; L921-V923 HydrophobicContact CD2-CG1 3.96Å; L921-V923 HydrophobicContact CG-CG1 4.04Å; L921-V923 PolarHBondContact O-N 2.95Å; V923-V925 PolarHBondContact O-N 2.94Å; V923-W926 HydrophobicContact CB-CD2 4.39Å; V923-W926 HydrophobicContact CB-CG 4.24Å; V923-W926 HydrophobicContact CG1-CD2 4.19Å; V923-W926 HydrophobicContact CG1-CE3 4.47Å; V923-W926 VanDerWaalsContact O-CB 3.26Å; V923-W926 WeakPolarHBondContact O-CB 3.33Å; V923-W926 PolarHBondContact O-N 2.78Å; V923-L934 HydrophobicContact CB-CD1 3.89Å; V923-L934 HydrophobicContact CG1-CD1 3.97Å; V923-L934 HydrophobicContact CG2-CD1 3.8Å | ||
| 924 | S | 81.6 | Confident | 76.1 | Confident | 38 Ų | 38 | 67.5 Ų | 67.5 | 27% | 0.266 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -31 | -177.2 | 65.9 | 0 | 0 | 0 | 0 | 114.4 | L858 A859 N922 | L858-S924 WeakPolarHBondContact O-CA 2.87Å; A859-S924 PolarHBondContact O-N 3.16Å; A859-S924 VanDerWaalsContact O-N 3.15Å; N922-S924 WeakPolarHBondContact OD1-CB 3.24Å; N922-S924 PolarHBondContact OD1-N 2.77Å; N922-S924 PolarHBondContact OD1-OG 3.07Å |
| 925 | V | 75.7 | Confident | 76.2 | Confident | 104 Ų | 104 | 69.9 Ų | 69.9 | 63% | 0.63 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 9.1 | -178.8 | -151 | 0 | 0 | 0 | 0 | 112.8 | R910 V923 | R910-V925 PolarHBondContact NH1-O 3.37Å; V923-V925 PolarHBondContact O-N 2.94Å |
| 926 | W | 73.6 | Confident | 76.3 | Confident | 41 Ų | 41 | 62.5 Ų | 62.5 | 16% | 0.155 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -87.3 | -6.8 | -179.2 | -70.2 | 38.2 | 0 | 0 | 0 | 113.3 | V872 R910 A912 L921 N922 V923 L934 | V872-W926 HydrophobicContact CG1-CZ3 4.13Å; R910-W926 HydrophobicContact CB-CD2 3.99Å; R910-W926 HydrophobicContact CB-CE3 3.71Å; R910-W926 HydrophobicContact CB-CH2 4.18Å; R910-W926 HydrophobicContact CB-CZ2 4.46Å; R910-W926 HydrophobicContact CB-CZ3 3.81Å; R910-W926 VanDerWaalsContact NH1-CD1 3.33Å; A912-W926 HydrophobicContact CB-CH2 3.67Å; A912-W926 HydrophobicContact CB-CZ2 4.11Å; L921-W926 HydrophobicContact CD1-CZ2 4.18Å; L921-W926 HydrophobicContact CD2-CH2 4.04Å; L921-W926 HydrophobicContact CD2-CZ2 4Å; L921-W926 HydrophobicContact CG-CZ2 4.33Å; N922-W926 PolarHBondContact O-NE1 3.26Å; N922-W926 VanDerWaalsContact O-NE1 3.16Å; V923-W926 HydrophobicContact CB-CD2 4.39Å; V923-W926 HydrophobicContact CB-CG 4.24Å; V923-W926 HydrophobicContact CG1-CD2 4.19Å; V923-W926 HydrophobicContact CG1-CE3 4.47Å; V923-W926 VanDerWaalsContact O-CB 3.26Å; V923-W926 WeakPolarHBondContact O-CB 3.33Å; V923-W926 PolarHBondContact O-N 2.78Å; W926-L934 HydrophobicContact CE3-CD2 4.46Å |
| 927 | R | 64.8 | Low | 76.6 | Confident | 54 Ų | 54 | 60.4 Ų | 60.4 | 20% | 0.204 | 36% | 0.359 | C | S | . | . | trans | -138.3 | 151 | -171.2 | -66.1 | -68.1 | 173.7 | 74.1 | -20.6 | 112.2 | S874 Q932 P933 | S874-R927 VanDerWaalsContact C-NH2 3.3Å; S874-R927 PolarHBondContact O-NH2 3.01Å; R927-Q932 PolarHBondContact NH1-O 3.18Å; R927-P933 VanDerWaalsContact CZ-O 3.27Å; R927-P933 VanDerWaalsContact NH1-C 3.26Å; R927-P933 PolarHBondContact NH1-O 2.63Å; R927-P933 PolarHBondContact NH2-O 2.92Å | ||
| 928 | L | 53.7 | Low | 77.5 | Confident | 179 Ų | 179 | 56.9 Ų | 56.9 | 94% | 0.937 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -94.8 | -13.4 | 177.1 | -75.7 | 163.5 | 0 | 0 | 0 | 113.2 | ||
| 929 | A | 57.8 | Low | 77.9 | Confident | 48 Ų | 48 | 55 Ų | 55 | 40% | 0.397 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -136.4 | 146.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 930 | S | 59.1 | Low | 78.3 | Confident | 40 Ų | 40 | 50.5 Ų | 50.5 | 28% | 0.28 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -35.3 | -174 | 30.7 | 0 | 0 | 0 | 0 | 114.1 | H855 G857 Q932 | H855-S930 WeakPolarHBondContact O-CB 3.49Å; H855-S930 PolarHBondContact O-OG 3.03Å; G857-S930 WeakPolarHBondContact CA-O 3.33Å; S930-Q932 PolarHBondContact O-N 3.2Å |
| 931 | S | 61.6 | Low | 78.3 | Confident | 81 Ų | 81 | 49.9 Ų | 49.9 | 57% | 0.566 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 10.4 | -170 | 56.5 | 0 | 0 | 0 | 0 | 116.4 | ||
| 932 | Q | 71.3 | Confident | 78.1 | Confident | 100 Ų | 100 | 48.8 Ų | 48.8 | 47% | 0.467 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -85.5 | 130.8 | 178.4 | -71.5 | -169.6 | -15.9 | 0 | 0 | 111.2 | R927 S930 | R927-Q932 PolarHBondContact NH1-O 3.18Å; S930-Q932 PolarHBondContact O-N 3.2Å |
| 933 | P | 82.6 | Confident | 77.8 | Confident | 48 Ų | 48 | 47.5 Ų | 47.5 | 31% | 0.312 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 147.5 | 180 | 30.2 | -35.5 | 0 | 0 | 0 | 113.2 | V849 V850 R927 | V849-P933 HydrophobicContact CG1-CB 3.48Å; V849-P933 VanDerWaalsContact CG1-CB 3.48Å; V849-P933 HydrophobicContact CG1-CG 4.12Å; V850-P933 CarbonylContact O-C 3.59Å; V850-P933 WeakPolarHBondContact O-CA 3.47Å; V850-P933 WeakPolarHBondContact O-CB 3.06Å; R927-P933 VanDerWaalsContact CZ-O 3.27Å; R927-P933 VanDerWaalsContact NH1-C 3.26Å; R927-P933 PolarHBondContact NH1-O 2.63Å; R927-P933 PolarHBondContact NH2-O 2.92Å |
| 934 | L | 87 | Confident | 77.7 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 154.1 | 168.3 | -73.3 | 173 | 0 | 0 | 0 | 110.6 | V850 L858 L861 V872 V923 W926 | V850-L934 PolarHBondContact N-O 2.98Å; V850-L934 PolarHBondContact O-N 3.16Å; L858-L934 HydrophobicContact CD1-CB 4.22Å; L858-L934 HydrophobicContact CD1-CD1 3.81Å; L858-L934 HydrophobicContact CD1-CG 3.94Å; L861-L934 HydrophobicContact CD1-CD1 3.76Å; V872-L934 HydrophobicContact CG1-CD1 4.32Å; V923-L934 HydrophobicContact CB-CD1 3.89Å; V923-L934 HydrophobicContact CG1-CD1 3.97Å; V923-L934 HydrophobicContact CG2-CD1 3.8Å; W926-L934 HydrophobicContact CE3-CD2 4.46Å |
| 935 | W | 86.9 | Confident | 77.6 | Confident | 60 Ų | 60 | 48.5 Ų | 48.5 | 23% | 0.227 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 134.8 | 174.4 | -68 | 73.5 | 0 | 0 | 0 | 109.4 | A829 L848 V849 F873 P876 | A829-W935 HydrophobicContact CB-CE3 4.45Å; A829-W935 HydrophobicContact CB-CZ3 3.75Å; L848-W935 WeakPolarHBondContact O-CA 3.46Å; V849-W935 HydrophobicContact CG2-CD2 4.15Å; V849-W935 HydrophobicContact CG2-CE3 3.92Å; V849-W935 HydrophobicContact CG2-CH2 3.59Å; V849-W935 HydrophobicContact CG2-CZ2 3.81Å; V849-W935 HydrophobicContact CG2-CZ3 3.65Å; F873-W935 HydrophobicContact CB-CB 4.24Å; F873-W935 PolarHBondContact N-O 3.04Å; F873-W935 PolarHBondContact O-N 3.14Å; F873-W935 VanDerWaalsContact O-N 3.14Å; P876-W935 HydrophobicContact CB-CD2 4.17Å; P876-W935 HydrophobicContact CB-CZ2 4.12Å; P876-W935 HydrophobicContact CG-CD2 4.49Å; P876-W935 HydrophobicContact CG-CZ2 3.97Å |
| 936 | V | 89.4 | Confident | 78.1 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 123.7 | -172.9 | -173.6 | 0 | 0 | 0 | 0 | 108.9 | S847 L848 V850 L861 L870 T871 V872 L949 | S847-V936 CarbonylContact C-O 3.56Å; S847-V936 VanDerWaalsContact CA-O 3.28Å; S847-V936 WeakPolarHBondContact CA-O 3.14Å; L848-V936 PolarHBondContact N-O 2.04Å; L848-V936 PolarHBondContact O-N 2.97Å; V850-V936 HydrophobicContact CG2-CB 4.47Å; V850-V936 HydrophobicContact CG2-CG2 3.7Å; L861-V936 HydrophobicContact CD2-CG2 3.79Å; L870-V936 HydrophobicContact CD1-CG1 3.31Å; L870-V936 HydrophobicContact CD2-CG1 3.79Å; L870-V936 HydrophobicContact CG-CG1 3.47Å; L870-V936 VanDerWaalsContact CG-CG1 3.47Å; T871-V936 CarbonylContact O-C 3.52Å; T871-V936 WeakPolarHBondContact O-CA 3.36Å; V872-V936 HydrophobicContact CG1-CG2 4.49Å; V872-V936 HydrophobicContact CG2-CG1 4.39Å; V872-V936 HydrophobicContact CG2-CG2 4.42Å; V936-L949 HydrophobicContact CG1-CD2 4.14Å |
| 937 | V | 89.3 | Confident | 78.7 | Confident | 16 Ų | 16 | 48.2 Ų | 48.2 | 10% | 0.097 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 114.1 | 177.1 | -178.2 | 0 | 0 | 0 | 0 | 109 | R845 V846 L870 T871 F873 P877 | R845-V937 HydrophobicContact CG-CG1 3.69Å; V846-V937 CarbonylContact O-C 3.56Å; V846-V937 WeakPolarHBondContact O-CA 3.16Å; L870-V937 CarbonylContact C-O 3.56Å; T871-V937 PolarHBondContact N-O 2.9Å; T871-V937 PolarHBondContact O-N 3.26Å; F873-V937 HydrophobicContact CD2-CG2 4.3Å; F873-V937 HydrophobicContact CE2-CB 4.05Å; F873-V937 HydrophobicContact CE2-CG2 3.74Å; P877-V937 HydrophobicContact CG-CG2 4.22Å |
| 938 | Y | 89.3 | Confident | 79.8 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 139.6 | 170.6 | -175.2 | -112.8 | 0 | 0 | 0 | 109.7 | W844 R845 V846 M863 G866 G867 G868 L870 S940 A947 L963 | W844-Y938 AromaticContact CH2-CD1 3.67Å; W844-Y938 HydrophobicContact CH2-CD1 3.67Å; W844-Y938 AromaticContact CH2-CE1 3.72Å; W844-Y938 HydrophobicContact CH2-CE1 3.72Å; W844-Y938 AromaticContact CZ2-CD1 3.96Å; W844-Y938 HydrophobicContact CZ2-CD1 3.96Å; W844-Y938 AromaticContact CZ2-CE1 3.56Å; W844-Y938 HydrophobicContact CZ2-CE1 3.56Å; W844-Y938 HydrophobicContact CZ3-CD1 4.09Å; R845-Y938 VanDerWaalsContact CA-O 3.28Å; R845-Y938 WeakPolarHBondContact CA-O 3.17Å; R845-Y938 WeakPolarHBondContact CG-O 3.35Å; V846-Y938 HydrophobicContact CG1-CD1 4.35Å; V846-Y938 PolarHBondContact N-O 3.11Å; V846-Y938 PolarHBondContact O-N 3.4Å; M863-Y938 HydrophobicContact CE-CD2 3.88Å; M863-Y938 HydrophobicContact CE-CE2 3.56Å; M863-Y938 HydrophobicContact SD-CD2 4.1Å; M863-Y938 HydrophobicContact SD-CE2 4.08Å; G866-Y938 WeakPolarHBondContact CA-OH 3.14Å; G867-Y938 PolarHBondContact N-OH 3.42Å; G868-Y938 WeakPolarHBondContact CA-OH 3.37Å; G868-Y938 PolarHBondContact N-OH 3.17Å; L870-Y938 HydrophobicContact CB-CD2 4.25Å; L870-Y938 HydrophobicContact CD1-CD2 3.85Å; L870-Y938 HydrophobicContact CD1-CG 4.19Å; Y938-S940 VanDerWaalsContact CE1-CB 3.44Å; Y938-S940 PolarHBondContact OH-OG 2.74Å; Y938-A947 HydrophobicContact CD1-CB 4.16Å; Y938-A947 HydrophobicContact CE1-CB 3.41Å; Y938-A947 VanDerWaalsContact CE1-CB 3.41Å; Y938-A947 HydrophobicContact CE2-CB 4.12Å; Y938-A947 WeakPolarHBondContact OH-CB 3.5Å; Y938-L963 HydrophobicContact CD1-CD1 4.2Å; Y938-L963 HydrophobicContact CG-CD1 3.96Å |
| 939 | T | 88.3 | Confident | 81.5 | Confident | 42 Ų | 42 | 38.7 Ų | 38.7 | 26% | 0.258 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 129.7 | 172.3 | -58.8 | 0 | 0 | 0 | 0 | 109.3 | W844 R845 G868 V869 | W844-T939 WeakPolarHBondContact O-CA 3.09Å; R845-T939 PolarHBondContact NE-OG1 3.39Å; G868-T939 CarbonylContact C-O 3.49Å; G868-T939 WeakPolarHBondContact CA-O 3.08Å; V869-T939 PolarHBondContact N-O 3.48Å; V869-T939 PolarHBondContact O-N 3.09Å |
| 940 | S | 87.9 | Confident | 83 | Confident | 5 Ų | 5 | 36.4 Ų | 36.4 | 4% | 0.035 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 155.9 | -175.8 | -160.3 | 0 | 0 | 0 | 0 | 111.8 | S843 W844 G868 Y938 S944 | S843-S940 CarbonylContact C-O 3.41Å; S843-S940 WeakPolarHBondContact CA-O 3.44Å; S843-S940 WeakPolarHBondContact CB-O 3.41Å; W844-S940 PolarHBondContact N-O 3.23Å; W844-S940 PolarHBondContact O-N 3.2Å; G868-S940 WeakPolarHBondContact CA-OG 3.12Å; G868-S940 PolarHBondContact N-OG 3.31Å; G868-S940 VanDerWaalsContact N-OG 3.16Å; Y938-S940 VanDerWaalsContact CE1-CB 3.44Å; Y938-S940 PolarHBondContact OH-OG 2.74Å; S940-S944 WeakPolarHBondContact OG-CB 3.36Å |
| 941 | S | 85.1 | Confident | 84.4 | Confident | 54 Ų | 54 | 34.5 Ų | 34.5 | 38% | 0.378 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 152.4 | 169.9 | 62.5 | 0 | 0 | 0 | 0 | 110.4 | C943 S944 | S941-C943 PolarHBondContact O-N 3.14Å; S941-C943 VanDerWaalsContact O-N 3.11Å; S941-S944 CarbonylContact O-C 3.56Å; S941-S944 PolarHBondContact O-N 3.07Å |
| 942 | C | 83.3 | Confident | 85.6 | Confident | 9 Ų | 9 | 31.3 Ų | 31.3 | 6% | 0.061 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -63.3 | -16.7 | 177.8 | -69.8 | 0 | 0 | 0 | 0 | 113.5 | C835 C839 S842 S944 | C835-C942 WeakPolarHBondContact CA-SG 2.95Å; C835-C942 HydrophobicContact CB-CB 3.58Å; C835-C942 WeakPolarHBondContact CB-SG 3.44Å; C835-C942 WeakPolarHBondContact SG-CB 3.04Å; C835-C942 CovalentContact SG-SG 2.04Å; C835-C942 PolarHBondContact SG-SG 2.97Å; C839-C942 HydrophobicContact CB-CB 4.17Å; S842-C942 PolarHBondContact O-N 3.4Å; S842-C942 VanDerWaalsContact O-N 3.1Å; S842-C942 PolarHBondContact OG-SG 2.85Å; C942-S944 PolarHBondContact O-N 2.96Å |
| 943 | C | 81.3 | Confident | 86.3 | Confident | 70 Ų | 70 | 26.6 Ų | 26.6 | 47% | 0.473 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -69.2 | -11.5 | 171.5 | -56.3 | 0 | 0 | 0 | 0 | 113.5 | C839 S941 | C839-C943 HydrophobicContact CB-CB 3.93Å; C839-C943 WeakPolarHBondContact CB-SG 3.24Å; C839-C943 PolarHBondContact O-N 3.07Å; C839-C943 PolarHBondContact O-SG 2.97Å; C839-C943 WeakPolarHBondContact SG-CA 3.38Å; C839-C943 WeakPolarHBondContact SG-CB 3.37Å; C839-C943 CovalentContact SG-SG 2.05Å; C839-C943 PolarHBondContact SG-SG 3.24Å; S941-C943 PolarHBondContact O-N 3.14Å; S941-C943 VanDerWaalsContact O-N 3.11Å |
| 944 | S | 83.1 | Confident | 86.2 | Confident | 24 Ų | 24 | 28.9 Ų | 28.9 | 17% | 0.168 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -120.1 | 68.6 | 170.7 | 177.4 | 0 | 0 | 0 | 0 | 109.3 | W844 G867 S940 S941 C942 Q946 | W844-S944 WeakPolarHBondContact CZ2-O 3.35Å; W844-S944 PolarHBondContact NE1-O 3.25Å; G867-S944 PolarHBondContact N-OG 2.76Å; S940-S944 WeakPolarHBondContact OG-CB 3.36Å; S941-S944 CarbonylContact O-C 3.56Å; S941-S944 PolarHBondContact O-N 3.07Å; C942-S944 PolarHBondContact O-N 2.96Å; S944-Q946 PolarHBondContact O-N 3.26Å; S944-Q946 VanDerWaalsContact O-N 3.09Å; S944-Q946 PolarHBondContact OG-O 2.72Å |
| 945 | A | 79.6 | Confident | 85.7 | Confident | 41 Ų | 41 | 30 Ų | 30 | 34% | 0.339 | 17% | 0.168 | S | C | . | . | trans | -63 | -11.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | T964 S965 | A945-T964 WeakPolarHBondContact O-CA 3.45Å; A945-S965 PolarHBondContact O-N 2.9Å | ||
| 946 | Q | 84.8 | Confident | 85.2 | Confident | 135 Ų | 135 | 27.1 Ų | 27.1 | 63% | 0.631 | 16% | 0.157 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 152.2 | 177.9 | -58.6 | -167.9 | -19.7 | 0 | 0 | 111.8 | S944 L963 T964 | S944-Q946 PolarHBondContact O-N 3.26Å; S944-Q946 VanDerWaalsContact O-N 3.09Å; S944-Q946 PolarHBondContact OG-O 2.72Å; Q946-L963 CarbonylContact C-O 3.56Å; Q946-L963 VanDerWaalsContact CA-O 3.31Å; Q946-L963 WeakPolarHBondContact CA-O 3.09Å; Q946-T964 HydrophobicContact CG-CG2 4.12Å |
| 947 | A | 86.4 | Confident | 84.7 | Confident | 3 Ų | 3 | 27.4 Ų | 27.4 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 156.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | M863 K865 Y938 L963 | M863-A947 HydrophobicContact CE-CB 3.42Å; M863-A947 VanDerWaalsContact CE-CB 3.42Å; K865-A947 CarbonylContact O-C 3.56Å; K865-A947 VanDerWaalsContact O-CA 3.29Å; K865-A947 WeakPolarHBondContact O-CA 3.3Å; K865-A947 WeakPolarHBondContact O-CB 3.05Å; Y938-A947 HydrophobicContact CD1-CB 4.16Å; Y938-A947 HydrophobicContact CE1-CB 3.41Å; Y938-A947 VanDerWaalsContact CE1-CB 3.41Å; Y938-A947 HydrophobicContact CE2-CB 4.12Å; Y938-A947 WeakPolarHBondContact OH-CB 3.5Å; A947-L963 HydrophobicContact CB-CB 4.17Å; A947-L963 PolarHBondContact N-O 2.02Å; A947-L963 PolarHBondContact O-N 3.18Å |
| 948 | E | 87.8 | Confident | 84.6 | Confident | 33 Ų | 33 | 27.3 Ų | 27.3 | 15% | 0.154 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 118.7 | 179.6 | -72.2 | 179.1 | -148.1 | 0 | 0 | 110.5 | Q864 K865 R960 | Q864-E948 HydrophobicContact CB-CB 4.19Å; Q864-E948 PolarHBondContact N-O 3.44Å; K865-E948 HydrophobicContact CB-CB 4.09Å; K865-E948 HydrophobicContact CB-CG 4.39Å; K865-E948 HydrophobicContact CD-CG 4.36Å; K865-E948 WeakPolarHBondContact CD-OE1 3.38Å; K865-E948 VanDerWaalsContact CE-OE1 3.25Å; K865-E948 WeakPolarHBondContact CE-OE1 3.43Å; K865-E948 HydrophobicContact CG-CB 4.37Å; K865-E948 PolarHBondContact N-O 3.34Å; K865-E948 IonicContact NZ-OE1 2.93Å; K865-E948 PolarHBondContact NZ-OE1 3.43Å; K865-E948 IonicContact NZ-OE2 3.19Å; K865-E948 PolarHBondContact O-N 2.87Å; E948-R960 IonicContact OE2-CZ 2.75Å; E948-R960 IonicContact OE2-NH1 2.73Å; E948-R960 PolarHBondContact OE2-NH1 3.42Å |
| 949 | L | 89.5 | Confident | 84.4 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 132.8 | 171.7 | 171.4 | 60.1 | 0 | 0 | 0 | 109.2 | L861 Q862 L870 V936 V951 C961 L963 | L861-L949 HydrophobicContact CB-CD1 4.28Å; L861-L949 HydrophobicContact CD2-CD1 4.29Å; L861-L949 HydrophobicContact CD2-CD2 4.41Å; Q862-L949 WeakPolarHBondContact O-CD1 3.45Å; L870-L949 HydrophobicContact CD2-CD1 3.55Å; L870-L949 HydrophobicContact CD2-CD2 4.42Å; V936-L949 HydrophobicContact CG1-CD2 4.14Å; L949-V951 HydrophobicContact CD2-CG2 4.24Å; L949-V951 HydrophobicContact CG-CG2 4.02Å; L949-C961 HydrophobicContact CB-CB 4.21Å; L949-C961 PolarHBondContact N-O 2.75Å; L949-C961 PolarHBondContact O-N 3.18Å; L949-L963 HydrophobicContact CB-CD1 4.4Å |
| 950 | L | 88.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 135.8 | 169.5 | -58 | 176.8 | 0 | 0 | 0 | 109.4 | D289 L861 Q862 Q864 W952 M958 R960 | D289-L950 HydrophobicContact CB-CD1 4.03Å; L861-L950 CarbonylContact C-O 3.59Å; L861-L950 VanDerWaalsContact CA-O 3.3Å; L861-L950 WeakPolarHBondContact CA-O 3.45Å; Q862-L950 PolarHBondContact N-O 3.12Å; Q862-L950 PolarHBondContact O-N 2.94Å; Q864-L950 HydrophobicContact CB-CD1 3.86Å; Q864-L950 HydrophobicContact CB-CG 3.85Å; Q864-L950 HydrophobicContact CG-CD1 3.94Å; Q864-L950 HydrophobicContact CG-CG 4.33Å; L950-W952 HydrophobicContact CB-CE3 4.42Å; L950-W952 HydrophobicContact CB-CH2 3.36Å; L950-W952 HydrophobicContact CB-CZ2 3.78Å; L950-W952 HydrophobicContact CB-CZ3 3.71Å; L950-W952 HydrophobicContact CD1-CH2 3.75Å; L950-W952 HydrophobicContact CD1-CZ2 3.86Å; L950-W952 HydrophobicContact CG-CH2 4.2Å; L950-W952 HydrophobicContact CG-CZ2 4.45Å; L950-M958 HydrophobicContact CD2-CE 4.42Å; L950-M958 HydrophobicContact CD2-SD 3.73Å; L950-R960 HydrophobicContact CD2-CB 4.01Å; L950-R960 HydrophobicContact CD2-CG 3.95Å |
| 951 | V | 89.2 | Confident | 84.3 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 135.8 | 177.6 | -173.7 | 0 | 0 | 0 | 0 | 108.9 | P824 V850 L858 L861 L949 M958 K959 | P824-V951 HydrophobicContact CB-CB 4.16Å; P824-V951 HydrophobicContact CB-CG1 3.54Å; P824-V951 HydrophobicContact CG-CB 4.44Å; P824-V951 HydrophobicContact CG-CG1 3.82Å; V850-V951 HydrophobicContact CG1-CB 4.27Å; V850-V951 HydrophobicContact CG1-CG1 3.43Å; V850-V951 VanDerWaalsContact CG1-CG1 3.43Å; V850-V951 HydrophobicContact CG1-CG2 3.89Å; L858-V951 HydrophobicContact CD2-CG1 3.76Å; L861-V951 HydrophobicContact CD2-CG2 4.2Å; L861-V951 HydrophobicContact CG-CG1 4.36Å; L861-V951 HydrophobicContact CG-CG2 4.27Å; L949-V951 HydrophobicContact CD2-CG2 4.24Å; L949-V951 HydrophobicContact CG-CG2 4.02Å; V951-M958 CarbonylContact O-C 3.58Å; V951-M958 WeakPolarHBondContact O-CA 3.49Å; V951-K959 PolarHBondContact N-O 3.25Å; V951-K959 PolarHBondContact O-N 2.95Å |
| 952 | W | 87.6 | Confident | 84.3 | Confident | 14 Ų | 14 | 29.8 Ų | 29.8 | 5% | 0.053 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 142.9 | 176.2 | -62.8 | -89.9 | 0 | 0 | 0 | 111.8 | D289 A859 A860 Q862 P920 L950 N957 M958 | D289-W952 WeakPolarHBondContact O-CZ2 3.45Å; A859-W952 PolarHBondContact N-O 3.07Å; A860-W952 HydrophobicContact CB-CB 4.47Å; A860-W952 HydrophobicContact CB-CE3 3.83Å; A860-W952 PolarHBondContact N-O 2.88Å; A860-W952 PolarHBondContact O-N 2.86Å; Q862-W952 HydrophobicContact CB-CH2 3.66Å; Q862-W952 HydrophobicContact CB-CZ3 3.56Å; P920-W952 HydrophobicContact CB-CZ3 4.19Å; P920-W952 HydrophobicContact CG-CH2 4.38Å; P920-W952 HydrophobicContact CG-CZ3 4.43Å; L950-W952 HydrophobicContact CB-CE3 4.42Å; L950-W952 HydrophobicContact CB-CH2 3.36Å; L950-W952 HydrophobicContact CB-CZ2 3.78Å; L950-W952 HydrophobicContact CB-CZ3 3.71Å; L950-W952 HydrophobicContact CD1-CH2 3.75Å; L950-W952 HydrophobicContact CD1-CZ2 3.86Å; L950-W952 HydrophobicContact CG-CH2 4.2Å; L950-W952 HydrophobicContact CG-CZ2 4.45Å; W952-N957 WeakPolarHBondContact CA-O 3.41Å; W952-M958 HydrophobicContact CD2-CG 4.36Å; W952-M958 HydrophobicContact CG-CG 4.33Å; W952-M958 HydrophobicContact CZ2-CG 4.3Å |
| 953 | D | 85.6 | Confident | 84.4 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | -178.7 | 163.2 | 68.6 | 22.6 | 0 | 0 | 0 | 111.4 | S822 P824 S856 A859 A955 G956 N957 | S822-D953 VanDerWaalsContact O-OD2 3.08Å; P824-D953 HydrophobicContact CG-CB 3.94Å; S856-D953 WeakPolarHBondContact OG-CB 3.11Å; A859-D953 VanDerWaalsContact CB-C 3.43Å; A859-D953 WeakPolarHBondContact CB-O 3.45Å; D953-A955 WeakPolarHBondContact OD1-CA 3.27Å; D953-A955 WeakPolarHBondContact OD1-CB 3.4Å; D953-A955 PolarHBondContact OD1-N 3.1Å; D953-G956 WeakPolarHBondContact OD1-CA 3.2Å; D953-G956 PolarHBondContact OD1-N 3.25Å; D953-N957 PolarHBondContact N-O 3.48Å; D953-N957 PolarHBondContact OD1-N 3.06Å; D953-N957 VanDerWaalsContact OD2-CB 3.23Å; D953-N957 WeakPolarHBondContact OD2-CB 3.35Å; D953-N957 PolarHBondContact OD2-ND2 2.89Å |
| 954 | K | 80.4 | Confident | 84.4 | Confident | 97 Ų | 97 | 26.9 Ų | 26.9 | 42% | 0.422 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -77.4 | -26.9 | 176.1 | -75.1 | 177 | -135.8 | 141.5 | 0 | 113.5 | R138 S856 G857 A859 G956 | R138-K954 PolarHBondContact NH1-O 2.95Å; S856-K954 WeakPolarHBondContact O-CD 3.12Å; S856-K954 WeakPolarHBondContact O-CE 3.49Å; S856-K954 PolarHBondContact O-NZ 3.46Å; G857-K954 WeakPolarHBondContact O-CG 3.39Å; G857-K954 PolarHBondContact O-N 2.94Å; A859-K954 HydrophobicContact CB-CG 3.9Å; K954-G956 PolarHBondContact O-N 3.48Å |
| 955 | A | 76.8 | Confident | 83.9 | Confident | 25 Ų | 25 | 26.1 Ų | 26.1 | 21% | 0.207 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -65.5 | -25.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R138 D820 D953 | R138-A955 PolarHBondContact NH1-O 2.87Å; R138-A955 VanDerWaalsContact NH1-O 3.08Å; D820-A955 HydrophobicContact CB-CB 3.77Å; D953-A955 WeakPolarHBondContact OD1-CA 3.27Å; D953-A955 WeakPolarHBondContact OD1-CB 3.4Å; D953-A955 PolarHBondContact OD1-N 3.1Å |
| 956 | G | 75.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | 98.3 | 15.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | R138 T290 D953 K954 | R138-G956 VanDerWaalsContact CZ-CA 3.49Å; R138-G956 VanDerWaalsContact NH1-CA 3.31Å; T290-G956 WeakPolarHBondContact CG2-O 3.5Å; D953-G956 WeakPolarHBondContact OD1-CA 3.2Å; D953-G956 PolarHBondContact OD1-N 3.25Å; K954-G956 PolarHBondContact O-N 3.48Å | ||
| 957 | N | 80.6 | Confident | 81.4 | Confident | 7 Ų | 7 | 28.4 Ų | 28.4 | 4% | 0.037 | 14% | 0.143 | C | C | . | . | trans | -74.7 | 150.6 | 167.4 | -46.9 | -60.8 | 0 | 0 | 0 | 109 | D820 S822 P823 W952 D953 | D820-N957 PolarHBondContact O-ND2 2.74Å; S822-N957 PolarHBondContact O-ND2 2.95Å; S822-N957 VanDerWaalsContact O-ND2 3.12Å; P823-N957 HydrophobicContact CB-CB 4.09Å; W952-N957 WeakPolarHBondContact CA-O 3.41Å; D953-N957 PolarHBondContact N-O 3.48Å; D953-N957 PolarHBondContact OD1-N 3.06Å; D953-N957 VanDerWaalsContact OD2-CB 3.23Å; D953-N957 WeakPolarHBondContact OD2-CB 3.35Å; D953-N957 PolarHBondContact OD2-ND2 2.89Å | ||
| 958 | M | 85.8 | Confident | 78.9 | Confident | 13 Ų | 13 | 37.1 Ų | 37.1 | 6% | 0.064 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 134 | -171.9 | -175.2 | -81.2 | -72.2 | 0 | 0 | 110.4 | D286 T290 P823 L950 V951 W952 R960 | D286-M958 HydrophobicContact CB-CE 3.62Å; D286-M958 WeakPolarHBondContact OD1-CE 2.97Å; T290-M958 WeakPolarHBondContact OG1-CB 3.35Å; P823-M958 WeakPolarHBondContact CB-O 3.37Å; L950-M958 HydrophobicContact CD2-CE 4.42Å; L950-M958 HydrophobicContact CD2-SD 3.73Å; V951-M958 CarbonylContact O-C 3.58Å; V951-M958 WeakPolarHBondContact O-CA 3.49Å; W952-M958 HydrophobicContact CD2-CG 4.36Å; W952-M958 HydrophobicContact CG-CG 4.33Å; W952-M958 HydrophobicContact CZ2-CG 4.3Å; M958-R960 HydrophobicContact SD-CB 4.35Å |
| 959 | K | 85.9 | Confident | 76.1 | Confident | 10 Ų | 10 | 47.1 Ų | 47.1 | 4% | 0.043 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 129.5 | 169.8 | -172.8 | 70.9 | -176.3 | 170.7 | 0 | 110.7 | E182 P823 P824 V951 | E182-K959 IonicContact OE1-NZ 2.68Å; E182-K959 PolarHBondContact OE1-NZ 3.32Å; P823-K959 HydrophobicContact CB-CB 4.24Å; P824-K959 WeakPolarHBondContact O-CB 3.13Å; P824-K959 VanDerWaalsContact O-CG 3.25Å; P824-K959 WeakPolarHBondContact O-CG 3.2Å; V951-K959 PolarHBondContact N-O 3.25Å; V951-K959 PolarHBondContact O-N 2.95Å |
| 960 | R | 86.7 | Confident | 73.6 | Confident | 44 Ų | 44 | 51 Ų | 51 | 17% | 0.166 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 110.4 | 167.5 | -172.6 | -178.3 | -56.6 | -81 | -11.3 | 108.6 | D286 D289 E948 L950 M958 | D286-R960 IonicContact OD1-CZ 2.7Å; D286-R960 IonicContact OD1-NE 3.59Å; D286-R960 IonicContact OD1-NH2 3.91Å; D286-R960 PolarHBondContact OD1-NH2 3.19Å; D289-R960 IonicContact OD2-CZ 3.48Å; D289-R960 IonicContact OD2-NH1 2.69Å; D289-R960 IonicContact OD2-NH2 3.14Å; D289-R960 PolarHBondContact OD2-NH2 2.84Å; E948-R960 IonicContact OE2-CZ 2.75Å; E948-R960 IonicContact OE2-NH1 2.73Å; E948-R960 PolarHBondContact OE2-NH1 3.42Å; L950-R960 HydrophobicContact CD2-CB 4.01Å; L950-R960 HydrophobicContact CD2-CG 3.95Å; M958-R960 HydrophobicContact SD-CB 4.35Å |
| 961 | C | 87.3 | Confident | 70.5 | Confident | 6 Ų | 6 | 59.9 Ų | 59.9 | 4% | 0.041 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 105.3 | -178.5 | -49.2 | 0 | 0 | 0 | 0 | 108.7 | C826 L949 | C826-C961 HydrophobicContact CB-CB 3.6Å; C826-C961 WeakPolarHBondContact CB-SG 3.12Å; C826-C961 WeakPolarHBondContact SG-CB 3.46Å; C826-C961 CovalentContact SG-SG 2.03Å; C826-C961 PolarHBondContact SG-SG 3.18Å; L949-C961 HydrophobicContact CB-CB 4.21Å; L949-C961 PolarHBondContact N-O 2.75Å; L949-C961 PolarHBondContact O-N 3.18Å |
| 962 | I | 85.7 | Confident | 67.6 | Low | 94 Ų | 94 | 64.6 Ų | 64.6 | 48% | 0.482 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 123.1 | 178.8 | -55.9 | 176.4 | 0 | 0 | 0 | 108.3 | T964 | I962-T964 HydrophobicContact CG2-CG2 4.08Å |
| 963 | L | 85.6 | Confident | 64.5 | Low | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 128.8 | 179.3 | -48.9 | -172.1 | 0 | 0 | 0 | 108.4 | W844 V846 L848 M863 L870 Y938 Q946 A947 L949 | W844-L963 HydrophobicContact CH2-CB 3.95Å; W844-L963 HydrophobicContact CZ3-CB 4.43Å; V846-L963 HydrophobicContact CG1-CB 4.24Å; V846-L963 HydrophobicContact CG1-CD1 4.18Å; L848-L963 HydrophobicContact CD1-CD1 4.02Å; L848-L963 HydrophobicContact CD1-CD2 3.48Å; L848-L963 VanDerWaalsContact CD1-CD2 3.48Å; L848-L963 HydrophobicContact CD1-CG 4.41Å; L848-L963 HydrophobicContact CD2-CD2 3.55Å; L848-L963 HydrophobicContact CG-CD2 4.1Å; M863-L963 HydrophobicContact CE-CD1 4.39Å; L870-L963 HydrophobicContact CD1-CD1 4.45Å; Y938-L963 HydrophobicContact CD1-CD1 4.2Å; Y938-L963 HydrophobicContact CG-CD1 3.96Å; Q946-L963 CarbonylContact C-O 3.56Å; Q946-L963 VanDerWaalsContact CA-O 3.31Å; Q946-L963 WeakPolarHBondContact CA-O 3.09Å; A947-L963 HydrophobicContact CB-CB 4.17Å; A947-L963 PolarHBondContact N-O 2.02Å; A947-L963 PolarHBondContact O-N 3.18Å; L949-L963 HydrophobicContact CB-CD1 4.4Å |
| 964 | T | 80.6 | Confident | 61.7 | Low | 17 Ų | 17 | 77.6 Ų | 77.6 | 10% | 0.104 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 149.5 | -179.4 | 56.4 | 0 | 0 | 0 | 0 | 110.9 | W844 A945 Q946 I962 D966 | W844-T964 VanDerWaalsContact CZ3-O 3.27Å; W844-T964 WeakPolarHBondContact CZ3-O 3.18Å; A945-T964 WeakPolarHBondContact O-CA 3.45Å; Q946-T964 HydrophobicContact CG-CG2 4.12Å; I962-T964 HydrophobicContact CG2-CG2 4.08Å; T964-D966 WeakPolarHBondContact CB-O 3.02Å; T964-D966 PolarHBondContact O-N 3.38Å; T964-D966 VanDerWaalsContact OG1-C 3.23Å; T964-D966 PolarHBondContact OG1-O 2.82Å |
| 965 | S | 71.5 | Confident | 59.1 | Low | 9 Ų | 9 | 79.2 Ų | 79.2 | 6% | 0.063 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -62.3 | -31.3 | 167.7 | 57.7 | 0 | 0 | 0 | 0 | 111.6 | S833 A945 | S833-S965 WeakPolarHBondContact CB-O 3Å; S833-S965 PolarHBondContact OG-O 3.2Å; A945-S965 PolarHBondContact O-N 2.9Å |
| 966 | D | 63.8 | Low | 56.7 | Low | 129 Ų | 129 | 84.1 Ų | 84.1 | 69% | 0.69 | 46% | 0.455 | S | S | * | . | trans | -113 | 103.6 | 176.4 | -53.9 | -36.6 | 0 | 0 | 0 | 109.6 | T964 | T964-D966 WeakPolarHBondContact CB-O 3.02Å; T964-D966 PolarHBondContact O-N 3.38Å; T964-D966 VanDerWaalsContact OG1-C 3.23Å; T964-D966 PolarHBondContact OG1-O 2.82Å | ||
| 967 | Q | 48.8 | Very low | 54.3 | Low | 94 Ų | 94 | 92.9 Ų | 92.9 | 44% | 0.439 | 50% | 0.496 | S | S | . | . | trans | -127.1 | 103.2 | 167.2 | -133 | 173.1 | 16.4 | 0 | 0 | 108.5 | I831 R969 | I831-Q967 HydrophobicContact CD1-CB 3.44Å; I831-Q967 VanDerWaalsContact CD1-CB 3.44Å; Q967-R969 PolarHBondContact O-N 3.39Å | ||
| 968 | Q | 34.6 | Very low | 51.6 | Low | 186 Ų | 186 | 100 Ų | 100 | 87% | 0.869 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 131.2 | 176.2 | -75.9 | 177 | -48.7 | 0 | 0 | 109.9 | G970 | Q968-G970 PolarHBondContact O-N 3.49Š|
| 969 | R | 28.1 | Very low | 48.8 | Very low | 243 Ų | 243 | 104.8 Ų | 104.8 | 92% | 0.917 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 128 | 155.6 | -87.1 | -179.9 | 168.9 | 169.5 | -2.3 | 107.6 | Q967 Q971 | Q967-R969 PolarHBondContact O-N 3.39Å; R969-Q971 PolarHBondContact O-N 3.25Å |
| 970 | G | 36.9 | Very low | 45.9 | Very low | 83 Ų | 83 | 107.8 Ų | 107.8 | 86% | 0.856 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 121.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q968 | Q968-G970 PolarHBondContact O-N 3.49Š|
| 971 | Q | 25 | Very low | 42.9 | Very low | 186 Ų | 186 | 112.8 Ų | 112.8 | 87% | 0.869 | 64% | 0.636 | S | S | * | * | trans | -154.4 | 108.9 | 166.8 | -134.4 | 172.7 | 6.7 | 0 | 0 | 111.2 | R969 | R969-Q971 PolarHBondContact O-N 3.25Š| ||
| 972 | S | 27.1 | Very low | 40 | Very low | 98 Ų | 98 | 116 Ų | 116 | 69% | 0.685 | 67% | 0.671 | S | S | * | * | trans | 24.1 | 101.6 | 152.6 | -171.3 | 0 | 0 | 0 | 0 | 118.2 | T974 | S972-T974 PolarHBondContact O-N 3.36Å; S972-T974 PolarHBondContact O-OG1 3.36Å | ||
| 973 | D | 23.8 | Very low | 37.1 | Very low | 171 Ų | 171 | 123.9 Ų | 123.9 | 91% | 0.914 | 70% | 0.695 | S | S | * | * | trans | -51.8 | 113.3 | 161.3 | -85.1 | -37.1 | 0 | 0 | 0 | 110.2 | ||||
| 974 | T | 25.8 | Very low | 34.3 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 72% | 0.718 | 74% | 0.736 | S | S | * | * | trans | -105.4 | 120.8 | 172.8 | -46.4 | 0 | 0 | 0 | 0 | 108.2 | S972 T976 | S972-T974 PolarHBondContact O-N 3.36Å; S972-T974 PolarHBondContact O-OG1 3.36Å; T974-T976 PolarHBondContact O-N 3.23Å | ||
| 975 | T | 26.7 | Very low | 31.6 | Very low | 132 Ų | 132 | 133.2 Ų | 133.2 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | -53.8 | 130.2 | -176.5 | 48.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 976 | T | 24.8 | Very low | 29.4 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | trans | -110.7 | 106.1 | 161.7 | -48.2 | 0 | 0 | 0 | 0 | 108.9 | T974 | T974-T976 PolarHBondContact O-N 3.23Š| ||
| 977 | E | 24.7 | Very low | 27.7 | Very low | 185 Ų | 185 | 141.7 Ų | 141.7 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | trans | -67 | 135.6 | 169.2 | -63.9 | -176.3 | 130.7 | 0 | 0 | 110 | ||||
| 978 | I | 24.9 | Very low | 26.6 | Very low | 155 Ų | 155 | 140.2 Ų | 140.2 | 80% | 0.795 | 83% | 0.833 | S | S | * | * | trans | -120.3 | 100.4 | 164.3 | -61.2 | -178.3 | 0 | 0 | 0 | 108.2 | G980 | I978-G980 PolarHBondContact O-N 2.94Š| ||
| 979 | S | 25.6 | Very low | 26.2 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 80% | 0.797 | 83% | 0.833 | S | S | * | * | trans | -70.4 | 106.8 | 171.8 | 55.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 980 | G | 25.2 | Very low | 26 | Very low | 73 Ų | 73 | 133.6 Ų | 133.6 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | trans | -112.9 | 86.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I978 G982 | I978-G980 PolarHBondContact O-N 2.94Å; G980-G982 PolarHBondContact O-N 3.35Å | ||
| 981 | T | 25.5 | Very low | 25.5 | Very low | 149 Ų | 149 | 137.8 Ų | 137.8 | 91% | 0.914 | 82% | 0.818 | S | S | * | * | trans | -73.6 | 106.5 | 175.7 | 49.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 982 | G | 25 | Very low | 25.5 | Very low | 75 Ų | 75 | 136.4 Ų | 136.4 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | -119.8 | 100.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G980 | G980-G982 PolarHBondContact O-N 3.35Š| ||
| 983 | R | 25.2 | Very low | 25.4 | Very low | 259 Ų | 259 | 138.1 Ų | 138.1 | 98% | 0.977 | 82% | 0.817 | S | S | * | * | trans | -73.4 | 126.5 | 169.1 | -80 | 175.6 | 166.9 | 168.3 | -5 | 110 | ||||
| 984 | A | 25.8 | Very low | 25.5 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -134.3 | 142.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 985 | A | 24.1 | Very low | 25.4 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | trans | -89.4 | 153.5 | -160 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 986 | L | 27 | Very low | 25.4 | Very low | 171 Ų | 171 | 136.8 Ų | 136.8 | 90% | 0.895 | 82% | 0.82 | S | S | * | * | trans | -83.5 | 123.6 | 171.1 | -95.5 | 137.3 | 0 | 0 | 0 | 111.9 | ||||
| 987 | T | 26.8 | Very low | 25.6 | Very low | 146 Ų | 146 | 138.6 Ų | 138.6 | 90% | 0.896 | 82% | 0.824 | S | S | * | * | trans | -152.2 | 134.3 | 146.3 | 47.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 988 | G | 26.1 | Very low | 25.6 | Very low | 63 Ų | 63 | 141.9 Ų | 141.9 | 65% | 0.649 | 83% | 0.829 | S | S | * | * | cis | 158.9 | 128.4 | -8.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 989 | I | 25.1 | Very low | 25.7 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 89% | 0.887 | 83% | 0.828 | S | S | * | * | trans | -174.5 | 133.3 | 152.9 | -95.5 | 148.8 | 0 | 0 | 0 | 106.9 | ||||
| 990 | V | 25.9 | Very low | 26.7 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 70% | 0.703 | 82% | 0.823 | S | S | * | * | trans | -131.6 | 162.7 | -174.9 | -173.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 991 | F | 25.7 | Very low | 26.9 | Very low | 172 Ų | 172 | 143 Ų | 143 | 75% | 0.754 | 82% | 0.824 | S | S | * | * | trans | 82.2 | 118.8 | 174.3 | -60.7 | -80 | 0 | 0 | 0 | 114.9 | ||||
| 992 | L | 25.2 | Very low | 27 | Very low | 157 Ų | 157 | 148 Ų | 148 | 82% | 0.822 | 84% | 0.84 | S | S | * | * | -143.2 | 126.4 | 62.7 | -93.8 | 121.3 | 0 | 0 | 0 | 115.3 | |||||
| 993 | L | 24.5 | Very low | 27.1 | Very low | 134 Ų | 134 | 151.7 Ų | 151.7 | 70% | 0.702 | 84% | 0.843 | S | S | * | * | trans | 34.3 | 110.4 | 138.3 | -73 | 152.1 | 0 | 0 | 0 | 117.9 | ||||
| 994 | V | 25.3 | Very low | 27.2 | Very low | 144 Ų | 144 | 146 Ų | 146 | 87% | 0.873 | 84% | 0.836 | S | S | * | * | 44.6 | 98.9 | 65.8 | -173.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 995 | G | 25.1 | Very low | 27.3 | Very low | 67 Ų | 67 | 148.3 Ų | 148.3 | 69% | 0.691 | 84% | 0.835 | S | S | * | * | trans | -166.9 | 123.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 996 | L | 24.9 | Very low | 27.4 | Very low | 181 Ų | 181 | 150.7 Ų | 150.7 | 95% | 0.948 | 83% | 0.832 | S | S | * | * | trans | 72 | 64.9 | 164.7 | -52.6 | 171.8 | 0 | 0 | 0 | 117.6 | ||||
| 997 | L | 29.7 | Very low | 27.5 | Very low | 165 Ų | 165 | 149.4 Ų | 149.4 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | trans | -85.5 | 116 | 131.7 | -95.5 | 165.9 | 0 | 0 | 0 | 107.8 | ||||
| 998 | W | 25.2 | Very low | 27.5 | Very low | 254 Ų | 254 | 149.7 Ų | 149.7 | 96% | 0.962 | 82% | 0.823 | S | S | * | * | trans | -174.5 | 138.4 | 139.2 | -97.3 | 20.4 | 0 | 0 | 0 | 109.8 | ||||
| 999 | S | 27.4 | Very low | 27.6 | Very low | 110 Ų | 110 | 155.9 Ų | 155.9 | 77% | 0.769 | 84% | 0.835 | S | S | * | * | trans | -86.3 | -161.1 | -169.9 | -31.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1000 | P | 46.1 | Very low | 27.8 | Very low | 108 Ų | 108 | 154.5 Ų | 154.5 | 70% | 0.701 | 83% | 0.832 | S | S | * | * | cis | -138.1 | -167 | -14.1 | 21.6 | 6.1 | 0 | 0 | 0 | 113.8 | ||||
| 1001 | L | 29 | Very low | 28 | Very low | 148 Ų | 148 | 157.8 Ų | 157.8 | 78% | 0.775 | 84% | 0.842 | S | S | * | * | trans | 63.3 | 99.2 | 163.1 | -68.7 | 116.3 | 0 | 0 | 0 | 119.8 | ||||
| 1002 | M | 27.7 | Very low | 28.2 | Very low | 253 Ų | 253 | 156.5 Ų | 156.5 | 100% | 1.246 | 85% | 0.85 | S | S | * | * | -170.1 | 0 | 102.2 | -99.3 | -75.3 | 156.7 | 0 | 0 | 110.1 |
Retrieved 1,002 of 1,002 residues in 386.7 ms
(Link to these results)