| 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 | 79.9 | Confident | 75.4 | Confident | 75 Ų | 75 | 53.7 Ų | 53.7 | 37% | 0.369 | 26% | 0.261 | S | S | . | . | 0 | 138.3 | 0 | 176.9 | 173.5 | -179.9 | 0 | 0 | 106.9 | L3 F178 K181 A184 Q185 P209 | M1-L3 HydrophobicContact CE-CD2 3.88Å; M1-L3 HydrophobicContact CG-CD2 4.46Å; M1-F178 PolarHBondContact N-O 3.35Å; M1-F178 PolarHBondContact O-N 3.21Å; M1-K181 HydrophobicContact SD-CG 4.07Å; M1-A184 HydrophobicContact CB-CB 3.71Å; M1-A184 HydrophobicContact CG-CB 3.86Å; M1-A184 HydrophobicContact SD-CB 3.67Å; M1-Q185 HydrophobicContact SD-CG 4.29Å; M1-P209 HydrophobicContact CE-CB 4.17Å | |||
| 2 | L | 84.1 | Confident | 72.3 | Confident | 49 Ų | 49 | 59.3 Ų | 59.3 | 26% | 0.257 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 134.1 | 178 | -64.8 | 171 | 0 | 0 | 0 | 108.9 | I175 V176 E177 Y210 | L2-I175 HydrophobicContact CB-CG2 4.44Å; L2-I175 HydrophobicContact CD2-CG2 3.95Å; L2-V176 CarbonylContact C-O 3.6Å; L2-V176 WeakPolarHBondContact CA-O 3.44Å; L2-E177 HydrophobicContact CD2-CB 3.53Å; L2-E177 HydrophobicContact CD2-CG 3.58Å; L2-Y210 HydrophobicContact CB-CD1 3.72Å; L2-Y210 HydrophobicContact CB-CG 4.1Å; L2-Y210 HydrophobicContact CD1-CD1 3.57Å; L2-Y210 HydrophobicContact CD1-CE1 3.89Å; L2-Y210 HydrophobicContact CG-CD1 4.28Å; L2-Y210 PolarHBondContact O-N 3.33Å |
| 3 | L | 86.3 | Confident | 69.3 | Low | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 137.2 | 170.5 | -59.8 | -176.1 | 0 | 0 | 0 | 108.6 | M1 I175 V176 F178 A184 A187 L188 C207 E208 | M1-L3 HydrophobicContact CE-CD2 3.88Å; M1-L3 HydrophobicContact CG-CD2 4.46Å; L3-I175 WeakPolarHBondContact O-CA 3.18Å; L3-V176 PolarHBondContact N-O 3.06Å; L3-V176 PolarHBondContact O-N 3.36Å; L3-F178 HydrophobicContact CB-CE2 4.39Å; L3-F178 HydrophobicContact CD1-CD2 4.08Å; L3-F178 HydrophobicContact CD1-CE2 3.37Å; L3-F178 HydrophobicContact CD1-CZ 3.97Å; L3-F178 HydrophobicContact CG-CD2 4.19Å; L3-F178 HydrophobicContact CG-CE2 3.86Å; L3-A184 HydrophobicContact CD1-CB 4.27Å; L3-A184 WeakPolarHBondContact CD1-O 3.47Å; L3-A184 HydrophobicContact CD2-CB 4.47Å; L3-A184 HydrophobicContact CG-CB 4.34Å; L3-A187 HydrophobicContact CD1-CB 4.3Å; L3-L188 HydrophobicContact CD1-CB 4.3Å; L3-L188 HydrophobicContact CD2-CB 4.45Å; L3-C207 VanDerWaalsContact CD1-SG 3.56Å; L3-E208 CarbonylContact C-O 3.53Å; L3-E208 WeakPolarHBondContact CA-O 3.48Å |
| 4 | K | 88.2 | Confident | 66.5 | Low | 50 Ų | 50 | 65.8 Ų | 65.8 | 22% | 0.217 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 125.9 | 168.2 | -173.5 | 178.3 | 176.8 | 179 | 0 | 107.5 | E173 G174 C207 E208 Y210 | K4-E173 WeakPolarHBondContact CE-OE1 3.44Å; K4-E173 WeakPolarHBondContact CE-OE2 3.42Å; K4-E173 IonicContact NZ-OE1 3.36Å; K4-E173 PolarHBondContact NZ-OE1 3.22Å; K4-E173 IonicContact NZ-OE2 3.03Å; K4-E173 PolarHBondContact NZ-OE2 3.47Å; K4-G174 CarbonylContact C-O 3.59Å; K4-G174 WeakPolarHBondContact CA-O 3.33Å; K4-C207 WeakPolarHBondContact O-CA 3.48Å; K4-E208 PolarHBondContact N-O 3.14Å; K4-E208 PolarHBondContact O-N 2.6Å; K4-Y210 HydrophobicContact CB-CD2 4.25Å |
| 5 | I | 85.8 | Confident | 63.9 | Low | 6 Ų | 6 | 74.9 Ų | 74.9 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 126.5 | 168.6 | -58.6 | -174.9 | 0 | 0 | 0 | 106.6 | F154 E173 G174 V176 V205 V206 | I5-F154 HydrophobicContact CD1-CE1 4.14Å; I5-F154 HydrophobicContact CD1-CZ 3.76Å; I5-E173 CarbonylContact O-C 3.46Å; I5-E173 WeakPolarHBondContact O-CA 3.41Å; I5-G174 PolarHBondContact N-O 2.88Å; I5-G174 PolarHBondContact O-N 2.97Å; I5-V176 HydrophobicContact CD1-CB 4.41Å; I5-V176 HydrophobicContact CD1-CG2 3.39Å; I5-V176 HydrophobicContact CG1-CG2 3.98Å; I5-V205 HydrophobicContact CG2-CB 3.81Å; I5-V205 HydrophobicContact CG2-CG1 4.21Å; I5-V205 HydrophobicContact CG2-CG2 4.31Å; I5-V206 CarbonylContact C-O 3.57Å; I5-V206 WeakPolarHBondContact CA-O 3.46Å |
| 6 | S | 84.2 | Confident | 61.7 | Low | 9 Ų | 9 | 81.9 Ų | 81.9 | 6% | 0.063 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 167.6 | 179.8 | 67 | 0 | 0 | 0 | 0 | 110.9 | C8 V206 | S6-C8 PolarHBondContact O-N 3.1Å; S6-V206 PolarHBondContact N-O 2.94Å; S6-V206 PolarHBondContact O-N 2.67Å; S6-V206 VanDerWaalsContact O-N 3.1Å |
| 7 | R | 78.5 | Confident | 59.6 | Low | 141 Ų | 141 | 81.5 Ų | 81.5 | 53% | 0.532 | 39% | 0.392 | S | S | . | . | trans | 65.2 | 18.9 | 177.2 | -47.5 | -60.4 | -177.1 | -168.9 | -3.2 | 114.7 | K9 G172 V206 R276 | R7-K9 PolarHBondContact O-N 3.07Å; R7-G172 PolarHBondContact N-O 3.32Å; R7-G172 VanDerWaalsContact N-O 3.15Å; R7-V206 HydrophobicContact CG-CG2 4.17Å; R7-R276 VanDerWaalsContact NH1-NH1 3.15Å | ||
| 8 | C | 64.8 | Low | 58 | Low | 23 Ų | 23 | 82.9 Ų | 82.9 | 16% | 0.155 | 40% | 0.402 | C | S | . | . | trans | -62.7 | 123.1 | 166.5 | -67.1 | 0 | 0 | 0 | 0 | 108.1 | S6 G172 V205 | S6-C8 PolarHBondContact O-N 3.1Å; C8-G172 PolarHBondContact N-O 2.92Å; C8-G172 VanDerWaalsContact N-O 3.16Å; C8-G172 VanDerWaalsContact O-CA 3.3Å; C8-G172 WeakPolarHBondContact O-CA 3.5Å; C8-V205 WeakPolarHBondContact SG-CG1 3.44Å | ||
| 9 | K | 66.7 | Low | 56.5 | Low | 96 Ų | 96 | 85.5 Ų | 85.5 | 42% | 0.417 | 41% | 0.414 | S | S | . | . | trans | -54.3 | 129.5 | 166.9 | -168.7 | 171 | -175 | 165.1 | 0 | 106.2 | R7 L11 | R7-K9 PolarHBondContact O-N 3.07Å; K9-L11 PolarHBondContact O-N 3.32Å | ||
| 10 | P | 57.4 | Low | 55.2 | Low | 69 Ų | 69 | 87.7 Ų | 87.7 | 45% | 0.448 | 44% | 0.438 | S | S | . | . | trans | -52.7 | 111.5 | 176 | 19.3 | -30.8 | 0 | 0 | 0 | 107.3 | V12 P170 | P10-V12 PolarHBondContact O-N 3.49Å; P10-P170 HydrophobicContact CB-CB 3.77Å; P10-P170 HydrophobicContact CB-CG 3.24Å | ||
| 11 | L | 53.3 | Low | 54.3 | Low | 73 Ų | 73 | 86.9 Ų | 86.9 | 38% | 0.382 | 45% | 0.445 | S | S | . | . | trans | -53.3 | 136.7 | 165.1 | -79.6 | 168.8 | 0 | 0 | 0 | 104.6 | K9 C13 I146 C199 | K9-L11 PolarHBondContact O-N 3.32Å; L11-C13 PolarHBondContact O-N 2.99Å; L11-I146 HydrophobicContact CD1-CD1 4.17Å; L11-I146 HydrophobicContact CD1-CG2 4.42Å; L11-C199 WeakPolarHBondContact CD2-SG 3.35Å | ||
| 12 | V | 38 | Very low | 51.9 | Low | 121 Ų | 121 | 90.6 Ų | 90.6 | 73% | 0.733 | 46% | 0.455 | S | S | * | . | trans | -58.6 | 95.7 | 155.5 | 179.3 | 0 | 0 | 0 | 0 | 102.9 | P10 H14 | P10-V12 PolarHBondContact O-N 3.49Å; V12-H14 PolarHBondContact O-N 3.36Å | ||
| 13 | C | 33.4 | Very low | 49.3 | Very low | 51 Ų | 51 | 91.9 Ų | 91.9 | 35% | 0.345 | 48% | 0.48 | S | S | . | . | trans | -62.4 | 87.6 | 166.4 | -60.4 | 0 | 0 | 0 | 0 | 102.3 | L11 R15 | L11-C13 PolarHBondContact O-N 2.99Å; C13-R15 PolarHBondContact O-N 3.09Å | ||
| 14 | H | 30.2 | Very low | 46.6 | Very low | 158 Ų | 158 | 96.4 Ų | 96.4 | 73% | 0.731 | 52% | 0.518 | S | S | * | . | trans | -51.3 | 110 | 146.8 | -82.8 | -74.7 | 0 | 0 | 0 | 102.2 | V12 F16 | V12-H14 PolarHBondContact O-N 3.36Å; H14-F16 PolarHBondContact O-N 2.84Å | ||
| 15 | R | 28 | Very low | 43.9 | Very low | 203 Ų | 203 | 105.2 Ų | 105.2 | 77% | 0.766 | 55% | 0.549 | S | S | * | . | trans | -42.5 | 114.4 | 151.5 | -86.9 | -176.3 | -177.8 | 170.6 | 1 | 102.5 | C13 D17 | C13-R15 PolarHBondContact O-N 3.09Å; R15-D17 WeakPolarHBondContact CD-OD1 3.46Å; R15-D17 PolarHBondContact O-N 3.35Å | ||
| 16 | F | 27.6 | Very low | 41.2 | Very low | 187 Ų | 187 | 110 Ų | 110 | 82% | 0.82 | 58% | 0.583 | S | S | * | * | trans | -59.6 | 83.7 | 141.6 | -97.8 | -90.3 | 0 | 0 | 0 | 102.7 | H14 N18 | H14-F16 PolarHBondContact O-N 2.84Å; F16-N18 PolarHBondContact O-N 3.02Å | ||
| 17 | D | 26.8 | Very low | 38.6 | Very low | 75 Ų | 75 | 114.6 Ų | 114.6 | 40% | 0.401 | 62% | 0.616 | S | S | . | * | trans | -56.5 | 99 | 152.7 | -83.3 | -21.8 | 0 | 0 | 0 | 101.1 | R15 E19 R22 | R15-D17 WeakPolarHBondContact CD-OD1 3.46Å; R15-D17 PolarHBondContact O-N 3.35Å; D17-E19 HydrophobicContact CB-CG 4.29Å; D17-E19 PolarHBondContact O-N 2.95Å; D17-R22 IonicContact OD1-NH2 3.5Å; D17-R22 IonicContact OD2-NH2 3.76Å; D17-R22 PolarHBondContact OD2-NH2 3.03Å | ||
| 18 | N | 30.1 | Very low | 36.3 | Very low | 106 Ų | 106 | 115.4 Ų | 115.4 | 57% | 0.567 | 63% | 0.63 | S | S | * | * | trans | -59.6 | 78.9 | 156.6 | -89.2 | -23.2 | 0 | 0 | 0 | 104.6 | F16 S20 A21 | F16-N18 PolarHBondContact O-N 3.02Å; N18-S20 PolarHBondContact O-N 3.29Å; N18-A21 HydrophobicContact CB-CB 3.68Å; N18-A21 WeakPolarHBondContact O-CA 3.46Å; N18-A21 PolarHBondContact O-N 3.15Å | ||
| 19 | E | 30.1 | Very low | 34.5 | Very low | 133 Ų | 133 | 123.3 Ų | 123.3 | 62% | 0.621 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -62.2 | -15.9 | 164.5 | -89.7 | 179.8 | 164.8 | 0 | 0 | 109.8 | D17 A21 R22 | D17-E19 HydrophobicContact CB-CG 4.29Å; D17-E19 PolarHBondContact O-N 2.95Å; E19-A21 VanDerWaalsContact C-N 3.31Å; E19-R22 VanDerWaalsContact CG-NH1 3.26Å; E19-R22 IonicContact OE1-CZ 3.66Å; E19-R22 IonicContact OE1-NH1 2.67Å; E19-R22 PolarHBondContact OE1-NH1 3.42Å |
| 20 | S | 31.2 | Very low | 32.7 | Very low | 129 Ų | 129 | 127.6 Ų | 127.6 | 90% | 0.902 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -79.9 | 1.4 | 163.8 | -60.2 | 0 | 0 | 0 | 0 | 115.6 | N18 | N18-S20 PolarHBondContact O-N 3.29Š|
| 21 | A | 35.3 | Very low | 31.2 | Very low | 70 Ų | 70 | 133.5 Ų | 133.5 | 58% | 0.579 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -112.1 | 1.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N18 E19 G23 | N18-A21 HydrophobicContact CB-CB 3.68Å; N18-A21 WeakPolarHBondContact O-CA 3.46Å; N18-A21 PolarHBondContact O-N 3.15Å; E19-A21 VanDerWaalsContact C-N 3.31Å; A21-G23 PolarHBondContact O-N 3.37Å |
| 22 | R | 30.2 | Very low | 30 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 58% | 0.577 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 64 | 172.8 | -68.8 | -172.7 | -176 | 152.6 | 7 | 110.6 | D17 E19 | D17-R22 IonicContact OD1-NH2 3.5Å; D17-R22 IonicContact OD2-NH2 3.76Å; D17-R22 PolarHBondContact OD2-NH2 3.03Å; E19-R22 VanDerWaalsContact CG-NH1 3.26Å; E19-R22 IonicContact OE1-CZ 3.66Å; E19-R22 IonicContact OE1-NH1 2.67Å; E19-R22 PolarHBondContact OE1-NH1 3.42Å |
| 23 | G | 28.5 | Very low | 29.5 | Very low | 77 Ų | 77 | 137 Ų | 137 | 79% | 0.794 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.5 | -9.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | A21 | A21-G23 PolarHBondContact O-N 3.37Š|
| 24 | A | 31.4 | Very low | 29.2 | Very low | 95 Ų | 95 | 144.1 Ų | 144.1 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -121.2 | 86.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | S26 | A24-S26 PolarHBondContact O-N 3.11Š|
| 25 | R | 30.6 | Very low | 29.2 | Very low | 235 Ų | 235 | 139.7 Ų | 139.7 | 89% | 0.887 | 74% | 0.742 | S | S | * | * | trans | -46 | 121.3 | 166.9 | -85 | 173.4 | 157.8 | 171.8 | -7.1 | 111.2 | ||||
| 26 | S | 28.5 | Very low | 29.3 | Very low | 105 Ų | 105 | 135.6 Ų | 135.6 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | 60.5 | 100.2 | 99.6 | 80.7 | 0 | 0 | 0 | 0 | 115.2 | A24 | A24-S26 PolarHBondContact O-N 3.11Š| |||
| 27 | S | 30.1 | Very low | 29.4 | Very low | 107 Ų | 107 | 136.8 Ų | 136.8 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | trans | -167.5 | 134.6 | 131.1 | 51.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 28 | L | 30.6 | Very low | 29.4 | Very low | 158 Ų | 158 | 139 Ų | 139 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | trans | 79.5 | 99.5 | 152 | -65.3 | 157.9 | 0 | 0 | 0 | 119.2 | ||||
| 29 | F | 27.1 | Very low | 29.3 | Very low | 189 Ų | 189 | 141.4 Ų | 141.4 | 83% | 0.829 | 76% | 0.755 | S | S | * | * | trans | -42.5 | 126.1 | 132.4 | -95.8 | -107 | 0 | 0 | 0 | 110.6 | ||||
| 30 | E | 27.3 | Very low | 29.4 | Very low | 186 Ų | 186 | 140.5 Ų | 140.5 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | trans | -162.8 | 129.3 | 137.4 | -122.2 | 169.5 | 179 | 0 | 0 | 110.6 | ||||
| 31 | F | 26.5 | Very low | 29.2 | Very low | 193 Ų | 193 | 140.6 Ų | 140.6 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | trans | -70 | 127 | 167.8 | -84.2 | -101.4 | 0 | 0 | 0 | 108.8 | ||||
| 32 | S | 29 | Very low | 29 | Very low | 110 Ų | 110 | 144.5 Ų | 144.5 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | 172.3 | 133.8 | 134.7 | 46 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 33 | N | 28.1 | Very low | 28.9 | Very low | 156 Ų | 156 | 146.1 Ų | 146.1 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | 22.6 | 136.9 | 147.5 | -68.4 | -25.5 | 0 | 0 | 0 | 121.8 | ||||
| 34 | F | 26.7 | Very low | 29 | Very low | 202 Ų | 202 | 146.1 Ų | 146.1 | 89% | 0.886 | 77% | 0.767 | S | S | * | * | trans | 86.3 | 111.5 | 140.3 | -130.2 | -108.3 | 0 | 0 | 0 | 118.9 | ||||
| 35 | A | 29.5 | Very low | 28.8 | Very low | 64 Ų | 64 | 148.2 Ų | 148.2 | 53% | 0.529 | 77% | 0.77 | S | S | . | * | trans | 76.1 | 131 | 131.3 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 36 | T | 30.2 | Very low | 28.7 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | trans | 84.1 | 126.5 | 135.4 | 35.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 37 | W | 28.9 | Very low | 28.8 | Very low | 211 Ų | 211 | 141.7 Ų | 141.7 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | trans | 78.9 | 115.1 | 145.7 | -77.8 | 55.8 | 0 | 0 | 0 | 118 | ||||
| 38 | Q | 27.5 | Very low | 29 | Very low | 123 Ų | 123 | 144.6 Ų | 144.6 | 58% | 0.575 | 77% | 0.772 | S | S | * | * | 95.3 | 118.1 | 69.9 | -117.8 | -159.2 | 5.7 | 0 | 0 | 112 | |||||
| 39 | Q | 28.6 | Very low | 28.9 | Very low | 156 Ų | 156 | 144.3 Ų | 144.3 | 73% | 0.729 | 77% | 0.766 | S | S | * | * | trans | 65.2 | 127.9 | 155 | -60.5 | 165.1 | 12.9 | 0 | 0 | 115.7 | ||||
| 40 | S | 31.1 | Very low | 29 | Very low | 113 Ų | 113 | 145.4 Ų | 145.4 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | -175.7 | 153.9 | 60.3 | -49.7 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 41 | N | 27.6 | Very low | 29 | Very low | 132 Ų | 132 | 146.2 Ų | 146.2 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | -58.1 | 162.5 | 165.4 | -72.4 | -36.9 | 0 | 0 | 0 | 112.8 | ||||
| 42 | I | 31.5 | Very low | 29.4 | Very low | 152 Ų | 152 | 143.7 Ų | 143.7 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | 173 | 129 | 122.3 | -89.1 | 156.2 | 0 | 0 | 0 | 112.3 | |||||
| 43 | F | 28.7 | Very low | 29.7 | Very low | 187 Ų | 187 | 142.8 Ų | 142.8 | 82% | 0.82 | 75% | 0.75 | S | S | * | * | trans | 49 | 116.9 | 148.7 | -74.6 | -110.5 | 0 | 0 | 0 | 120.6 | ||||
| 44 | A | 28.8 | Very low | 29.9 | Very low | 77 Ų | 77 | 141.1 Ų | 141.1 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | 66.4 | 112 | 73.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 45 | T | 28.4 | Very low | 30.2 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 85% | 0.847 | 75% | 0.75 | S | S | * | * | 168.2 | 134.9 | 119.5 | 30.2 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 46 | S | 27.4 | Very low | 30.3 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | 49.3 | 114.5 | 146.2 | 59.9 | 0 | 0 | 0 | 0 | 124 | ||||
| 47 | A | 30.4 | Very low | 30.6 | Very low | 96 Ų | 96 | 139.2 Ų | 139.2 | 79% | 0.793 | 77% | 0.77 | S | S | * | * | 37.8 | 130.1 | 117.6 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 48 | L | 34.6 | Very low | 30.8 | Very low | 169 Ų | 169 | 133 Ų | 133 | 89% | 0.885 | 76% | 0.759 | S | S | * | * | trans | -178.3 | 103.3 | 137.3 | -94.6 | 162 | 0 | 0 | 0 | 107.8 | ||||
| 49 | H | 28.7 | Very low | 31.2 | Very low | 151 Ų | 151 | 135.1 Ų | 135.1 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | 57.5 | 104.4 | 101.7 | -147.5 | -98.7 | 0 | 0 | 0 | 115.8 | |||||
| 50 | Y | 30.1 | Very low | 31.3 | Very low | 213 Ų | 213 | 137.4 Ų | 137.4 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | -154.9 | 135.7 | 138.2 | -134.2 | -93.3 | 0 | 0 | 0 | 112.2 | L52 | Y50-L52 HydrophobicContact CD1-CG 4.44Å; Y50-L52 HydrophobicContact CE1-CD1 3.98Å; Y50-L52 HydrophobicContact CE1-CG 4.13Å | ||
| 51 | R | 26.9 | Very low | 31.5 | Very low | 202 Ų | 202 | 139.9 Ų | 139.9 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | -121.1 | 122.4 | -176.4 | 166.1 | -163.7 | -80.2 | -176.2 | -4.7 | 106.3 | ||||
| 52 | L | 35 | Very low | 32.3 | Very low | 141 Ų | 141 | 142.3 Ų | 142.3 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | -154.8 | 107 | 155.7 | -82.5 | 175.4 | 0 | 0 | 0 | 107.6 | Y50 | Y50-L52 HydrophobicContact CD1-CG 4.44Å; Y50-L52 HydrophobicContact CE1-CD1 3.98Å; Y50-L52 HydrophobicContact CE1-CG 4.13Å | ||
| 53 | S | 34.1 | Very low | 32.9 | Very low | 90 Ų | 90 | 140.8 Ų | 140.8 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | 77.3 | 91.3 | 90.9 | -55 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 54 | S | 33.6 | Very low | 33.6 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | 77.3 | 112.2 | 85.6 | 68.1 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 55 | G | 32 | Very low | 34.4 | Very low | 86 Ų | 86 | 139.2 Ų | 139.2 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | trans | -150 | 103.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 56 | S | 31.5 | Very low | 35.3 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | -96.6 | 138 | -172.3 | 150.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 57 | V | 36.4 | Very low | 35.8 | Very low | 152 Ų | 152 | 138.9 Ų | 138.9 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | trans | -138.2 | 128.2 | 145.9 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 58 | S | 34.5 | Very low | 36.4 | Very low | 82 Ų | 82 | 142.3 Ų | 142.3 | 57% | 0.573 | 78% | 0.784 | S | S | * | * | trans | -102.9 | 137.7 | -164.6 | -163.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 59 | N | 34.4 | Very low | 36.1 | Very low | 167 Ų | 167 | 142.9 Ų | 142.9 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | trans | -145.3 | 113.5 | 143 | -157.6 | -4.6 | 0 | 0 | 0 | 109.3 | ||||
| 60 | R | 31.6 | Very low | 36.6 | Very low | 204 Ų | 204 | 142.7 Ų | 142.7 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | -97 | 133.6 | -175.5 | -71.2 | 174.4 | 170.4 | -180 | -4 | 108.3 | ||||
| 61 | N | 36.2 | Very low | 36.8 | Very low | 165 Ų | 165 | 141.6 Ų | 141.6 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | trans | 178.1 | 75.6 | 138.8 | -89.7 | -14.6 | 0 | 0 | 0 | 110 | ||||
| 62 | Q | 43.2 | Very low | 36.8 | Very low | 183 Ų | 183 | 140.6 Ų | 140.6 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | -151.9 | 124.2 | 153.1 | -109.3 | 170.9 | 24.9 | 0 | 0 | 108.1 | ||||
| 63 | P | 44.5 | Very low | 36.7 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 139.8 | 174.6 | 27.5 | -31.3 | 0 | 0 | 0 | 109.4 | ||
| 64 | P | 42.6 | Very low | 36.3 | Very low | 115 Ų | 115 | 141.7 Ų | 141.7 | 75% | 0.747 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 144.4 | 172.3 | 27.5 | -32.7 | 0 | 0 | 0 | 110.1 | ||
| 65 | P | 47.3 | Very low | 36.2 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 147.9 | 172.1 | 26.3 | -32.8 | 0 | 0 | 0 | 110.5 | ||
| 66 | P | 46.3 | Very low | 36 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 147 | -176.4 | 24.1 | -32.5 | 0 | 0 | 0 | 111.7 | F68 | P66-F68 PolarHBondContact O-N 3.39Š|
| 67 | P | 38.7 | Very low | 35.9 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -61 | 125.6 | 172.5 | -14.2 | 28.1 | 0 | 0 | 0 | 109.2 | E69 | P67-E69 PolarHBondContact O-N 2.88Å; P67-E69 VanDerWaalsContact O-N 3.11Å |
| 68 | F | 41.5 | Very low | 35.6 | Very low | 168 Ų | 168 | 138.3 Ų | 138.3 | 74% | 0.737 | 79% | 0.791 | S | S | * | * | trans | -70.7 | 104.6 | 167.6 | -175.3 | -113 | 0 | 0 | 0 | 107.6 | P66 M70 | P66-F68 PolarHBondContact O-N 3.39Å; F68-M70 HydrophobicContact CD1-CB 4.46Å; F68-M70 HydrophobicContact CD1-CE 3.76Å; F68-M70 HydrophobicContact CD1-CG 3.73Å; F68-M70 HydrophobicContact CD1-SD 4.32Å; F68-M70 HydrophobicContact CE1-CE 3.96Å; F68-M70 HydrophobicContact CE1-CG 3.42Å; F68-M70 VanDerWaalsContact CE1-CG 3.42Å; F68-M70 HydrophobicContact CE1-SD 3.97Å; F68-M70 HydrophobicContact CZ-CG 4.45Å; F68-M70 PolarHBondContact O-N 2.92Å | ||
| 69 | E | 29.5 | Very low | 35.6 | Very low | 181 Ų | 181 | 138.7 Ų | 138.7 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -63.4 | 96.6 | 169.7 | -68.3 | 178.1 | 175.3 | 0 | 0 | 108.2 | P67 | P67-E69 PolarHBondContact O-N 2.88Å; P67-E69 VanDerWaalsContact O-N 3.11Å | ||
| 70 | M | 38.7 | Very low | 35.8 | Very low | 148 Ų | 148 | 138.9 Ų | 138.9 | 73% | 0.729 | 79% | 0.787 | S | S | * | * | trans | -91 | 112.4 | 162.5 | -104.1 | -178.2 | -69.9 | 0 | 0 | 107.6 | F68 E72 | F68-M70 HydrophobicContact CD1-CB 4.46Å; F68-M70 HydrophobicContact CD1-CE 3.76Å; F68-M70 HydrophobicContact CD1-CG 3.73Å; F68-M70 HydrophobicContact CD1-SD 4.32Å; F68-M70 HydrophobicContact CE1-CE 3.96Å; F68-M70 HydrophobicContact CE1-CG 3.42Å; F68-M70 VanDerWaalsContact CE1-CG 3.42Å; F68-M70 HydrophobicContact CE1-SD 3.97Å; F68-M70 HydrophobicContact CZ-CG 4.45Å; F68-M70 PolarHBondContact O-N 2.92Å; M70-E72 PolarHBondContact O-N 2.69Å; M70-E72 VanDerWaalsContact O-N 3.15Å | ||
| 71 | E | 33.3 | Very low | 36.1 | Very low | 189 Ų | 189 | 141 Ų | 141 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -49.3 | 116.4 | 172.2 | -63.7 | -177 | 155.9 | 0 | 0 | 110.3 | S73 | E71-S73 VanDerWaalsContact C-N 3.3Å; E71-S73 PolarHBondContact O-N 3.3Å | ||
| 72 | E | 28.3 | Very low | 36.4 | Very low | 181 Ų | 181 | 134.1 Ų | 134.1 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | trans | -67.3 | 90.1 | 168.8 | -80.5 | -176.8 | 148.3 | 0 | 0 | 108.7 | M70 T74 | M70-E72 PolarHBondContact O-N 2.69Å; M70-E72 VanDerWaalsContact O-N 3.15Å; E72-T74 VanDerWaalsContact C-N 3.3Å; E72-T74 PolarHBondContact O-N 3.38Å | ||
| 73 | S | 32.4 | Very low | 37 | Very low | 113 Ų | 113 | 127 Ų | 127 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | trans | -65.3 | 97.7 | 161.2 | 63.8 | 0 | 0 | 0 | 0 | 108 | E71 G75 | E71-S73 VanDerWaalsContact C-N 3.3Å; E71-S73 PolarHBondContact O-N 3.3Å; S73-G75 VanDerWaalsContact C-N 3.29Å; S73-G75 PolarHBondContact O-N 3.3Å | ||
| 74 | T | 26.9 | Very low | 37.5 | Very low | 142 Ų | 142 | 122.7 Ų | 122.7 | 87% | 0.871 | 71% | 0.709 | S | S | * | * | trans | -62.8 | 86.8 | 169.9 | 41.3 | 0 | 0 | 0 | 0 | 109.3 | E72 | E72-T74 VanDerWaalsContact C-N 3.3Å; E72-T74 PolarHBondContact O-N 3.38Å | ||
| 75 | G | 29.9 | Very low | 38.3 | Very low | 68 Ų | 68 | 119.8 Ų | 119.8 | 70% | 0.701 | 68% | 0.683 | S | S | * | * | trans | -126.1 | 99.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | S73 | S73-G75 VanDerWaalsContact C-N 3.29Å; S73-G75 PolarHBondContact O-N 3.3Å | ||
| 76 | S | 27.6 | Very low | 39.2 | Very low | 119 Ų | 119 | 114.4 Ų | 114.4 | 83% | 0.832 | 65% | 0.648 | S | S | * | * | trans | -48 | 130.7 | 177.8 | -174.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 77 | S | 30.6 | Very low | 40.4 | Very low | 97 Ų | 97 | 114.7 Ų | 114.7 | 68% | 0.678 | 63% | 0.634 | S | S | * | * | trans | 141.4 | 93.7 | 130.1 | 76.5 | 0 | 0 | 0 | 0 | 115 | A79 | S77-A79 PolarHBondContact O-N 3.36Š| ||
| 78 | A | 29.9 | Very low | 42 | Very low | 109 Ų | 109 | 110.2 Ų | 110.2 | 90% | 0.901 | 60% | 0.604 | S | S | * | * | 29 | 33.4 | 117 | 0 | 0 | 0 | 0 | 0 | 121.9 | R80 | A78-R80 PolarHBondContact O-N 2.96Š| |||
| 79 | A | 34 | Very low | 43.6 | Very low | 91 Ų | 91 | 108.4 Ų | 108.4 | 75% | 0.752 | 60% | 0.596 | S | S | * | * | trans | -87.8 | 99.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | S77 R81 | S77-A79 PolarHBondContact O-N 3.36Å; A79-R81 PolarHBondContact O-N 3.36Å | ||
| 80 | R | 37.9 | Very low | 45.9 | Very low | 170 Ų | 170 | 101 Ų | 101 | 64% | 0.642 | 56% | 0.563 | S | S | * | * | trans | -42.8 | 120.8 | 178.3 | -70.3 | 162.4 | 161.4 | -178.3 | -6.3 | 113 | A78 A82 D111 V128 | A78-R80 PolarHBondContact O-N 2.96Å; R80-A82 PolarHBondContact O-N 3.03Å; R80-D111 IonicContact NH1-OD2 2.74Å; R80-D111 PolarHBondContact NH1-OD2 3.39Å; R80-V128 HydrophobicContact CB-CG1 4.39Å | ||
| 81 | R | 39.3 | Very low | 47.5 | Very low | 250 Ų | 250 | 95.6 Ų | 95.6 | 94% | 0.943 | 55% | 0.545 | S | S | * | . | trans | -55.8 | 89.2 | 171.9 | -68.9 | 176.9 | 174.7 | 109.6 | -0.9 | 111.4 | A79 | A79-R81 PolarHBondContact O-N 3.36Š| ||
| 82 | A | 43.1 | Very low | 49.3 | Very low | 20 Ų | 20 | 94.4 Ų | 94.4 | 17% | 0.165 | 55% | 0.545 | C | S | . | . | trans | -90.9 | 111.1 | -179 | 0 | 0 | 0 | 0 | 0 | 111.3 | R80 R126 | R80-A82 PolarHBondContact O-N 3.03Å; A82-R126 HydrophobicContact CB-CG 4.43Å; A82-R126 PolarHBondContact O-NH1 3.03Å | ||
| 83 | S | 54.3 | Low | 51.6 | Low | 32 Ų | 32 | 87.2 Ų | 87.2 | 22% | 0.224 | 51% | 0.512 | C | S | . | . | trans | -52 | 139.2 | 177.7 | 179.8 | 0 | 0 | 0 | 0 | 112.3 | R85 C86 R126 | S83-R85 PolarHBondContact O-N 3.44Å; S83-C86 VanDerWaalsContact O-CB 3.27Å; S83-C86 WeakPolarHBondContact O-CB 3.17Å; S83-C86 PolarHBondContact O-N 2.86Å; S83-R126 PolarHBondContact O-NH1 3.5Å | ||
| 84 | G | 56.4 | Low | 53.6 | Low | 30 Ų | 30 | 85.6 Ų | 85.6 | 31% | 0.309 | 50% | 0.499 | S | S | . | . | G | 310 helix | trans | -57 | -27.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | C86 R87 L158 | G84-C86 PolarHBondContact O-N 2.88Å; G84-C86 VanDerWaalsContact O-N 3.11Å; G84-R87 WeakPolarHBondContact O-CB 3.28Å; G84-R87 PolarHBondContact O-N 2.84Å; G84-R87 VanDerWaalsContact O-N 3.13Å; G84-L158 VanDerWaalsContact N-CD1 3.26Å |
| 85 | R | 57.8 | Low | 56 | Low | 53 Ų | 53 | 84.8 Ų | 84.8 | 20% | 0.2 | 49% | 0.493 | C | S | . | . | G | 310 helix | trans | -60.6 | -14.7 | 169.7 | -70.4 | -169.1 | -73.2 | 168.5 | 3.2 | 113.9 | S83 R87 W134 R138 R159 E177 | S83-R85 PolarHBondContact O-N 3.44Å; R85-R87 VanDerWaalsContact C-N 3.3Å; R85-W134 HydrophobicContact CB-CZ2 4.06Å; R85-W134 WeakPolarHBondContact O-CZ2 3.32Å; R85-W134 PolarHBondContact O-NE1 3.47Å; R85-R138 VanDerWaalsContact NH1-CZ 3.26Å; R85-R159 VanDerWaalsContact CZ-NE 3.28Å; R85-R159 VanDerWaalsContact NH1-CZ 3.26Å; R85-R159 VanDerWaalsContact NH1-NH1 3.18Å; R85-E177 PolarHBondContact N-OE1 2.96Å; R85-E177 IonicContact NE-OE2 2.68Å |
| 86 | C | 65.9 | Low | 58.4 | Low | 4 Ų | 4 | 87.8 Ų | 87.8 | 3% | 0.027 | 49% | 0.494 | C | S | . | . | G | 310 helix | trans | -87.9 | 1.9 | 176.6 | -58.9 | 0 | 0 | 0 | 0 | 115.8 | S83 G84 L88 R126 L127 C130 | S83-C86 VanDerWaalsContact O-CB 3.27Å; S83-C86 WeakPolarHBondContact O-CB 3.17Å; S83-C86 PolarHBondContact O-N 2.86Å; G84-C86 PolarHBondContact O-N 2.88Å; G84-C86 VanDerWaalsContact O-N 3.11Å; C86-L88 PolarHBondContact O-N 3.39Å; C86-R126 HydrophobicContact CB-CG 4.23Å; C86-R126 VanDerWaalsContact O-CA 3.28Å; C86-R126 WeakPolarHBondContact O-CA 3.32Å; C86-L127 WeakPolarHBondContact CB-O 3.41Å; C86-L127 PolarHBondContact O-N 3.23Å; C86-C130 WeakPolarHBondContact CA-SG 3.39Å; C86-C130 HydrophobicContact CB-CB 4.2Å; C86-C130 WeakPolarHBondContact CB-SG 3.27Å; C86-C130 WeakPolarHBondContact SG-CB 3.5Å; C86-C130 CovalentContact SG-SG 2Å; C86-C130 PolarHBondContact SG-SG 3.42Å |
| 87 | R | 71.5 | Confident | 61 | Low | 124 Ų | 124 | 83.1 Ų | 83.1 | 47% | 0.468 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 104.7 | 175.4 | -166.3 | 178.7 | -171.8 | -167.2 | 0.4 | 108.9 | G84 R85 F124 V125 | G84-R87 WeakPolarHBondContact O-CB 3.28Å; G84-R87 PolarHBondContact O-N 2.84Å; G84-R87 VanDerWaalsContact O-N 3.13Å; R85-R87 VanDerWaalsContact C-N 3.3Å; R87-F124 HydrophobicContact CG-CB 4.27Å; R87-F124 HydrophobicContact CG-CD1 4.07Å; R87-V125 CarbonylContact C-O 3.5Å; R87-V125 WeakPolarHBondContact CA-O 3.45Å |
| 88 | L | 73.6 | Confident | 63.4 | Low | 25 Ų | 25 | 80.4 Ų | 80.4 | 13% | 0.131 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 137.3 | 171.6 | -57.3 | 176.6 | 0 | 0 | 0 | 109 | C86 F106 F124 V125 L127 F133 | C86-L88 PolarHBondContact O-N 3.39Å; L88-F106 HydrophobicContact CD1-CD1 3.99Å; L88-F106 HydrophobicContact CD1-CE1 3.67Å; L88-F124 VanDerWaalsContact O-CA 3.31Å; L88-F124 WeakPolarHBondContact O-CA 3.19Å; L88-V125 PolarHBondContact N-O 2.66Å; L88-V125 PolarHBondContact O-N 3.44Å; L88-L127 HydrophobicContact CD1-CD1 3.83Å; L88-L127 HydrophobicContact CD1-CG 4.3Å; L88-F133 HydrophobicContact CD2-CD1 4.01Å; L88-F133 HydrophobicContact CD2-CE1 3.42Å; L88-F133 VanDerWaalsContact CD2-CE1 3.42Å; L88-F133 HydrophobicContact CD2-CE2 4.37Å; L88-F133 HydrophobicContact CD2-CZ 3.63Å |
| 89 | F | 74.6 | Confident | 66 | Low | 130 Ų | 130 | 77.2 Ų | 77.2 | 57% | 0.57 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 126.8 | 164.6 | 174.7 | -100.5 | 0 | 0 | 0 | 108.1 | F122 F124 | F89-F122 HydrophobicContact CE2-CB 3.68Å; F89-F122 AromaticContact CE2-CD2 3.81Å; F89-F122 HydrophobicContact CE2-CD2 3.81Å; F89-F122 AromaticContact CE2-CG 3.84Å; F89-F122 HydrophobicContact CE2-CG 3.84Å; F89-F122 HydrophobicContact CZ-CB 3.81Å; F89-F122 HydrophobicContact CZ-CG 4.28Å; F89-F124 HydrophobicContact CB-CD1 4.37Å; F89-F124 HydrophobicContact CB-CE1 4.14Å; F89-F124 HydrophobicContact CD2-CD1 4.17Å; F89-F124 AromaticContact CD2-CE1 3.59Å; F89-F124 HydrophobicContact CD2-CE1 3.59Å; F89-F124 HydrophobicContact CD2-CE2 4.44Å; F89-F124 AromaticContact CD2-CZ 3.74Å; F89-F124 HydrophobicContact CD2-CZ 3.74Å; F89-F124 HydrophobicContact CE2-CZ 4.25Å; F89-F124 HydrophobicContact CG-CE1 4.34Å |
| 90 | V | 78 | Confident | 68.5 | Low | 26 Ų | 26 | 79.2 Ų | 79.2 | 16% | 0.158 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 100.5 | 178.5 | -169.6 | 0 | 0 | 0 | 0 | 106.5 | L93 F106 F122 A123 V125 | V90-L93 HydrophobicContact CB-CD1 4.19Å; V90-L93 HydrophobicContact CG1-CD1 3.94Å; V90-L93 HydrophobicContact CG1-CD2 3.74Å; V90-L93 HydrophobicContact CG1-CG 3.91Å; V90-F106 HydrophobicContact CG2-CE2 3.79Å; V90-F106 HydrophobicContact CG2-CZ 3.55Å; V90-F122 CarbonylContact O-C 3.58Å; V90-F122 WeakPolarHBondContact O-CA 3.21Å; V90-F122 WeakPolarHBondContact O-CB 3.23Å; V90-A123 HydrophobicContact CB-CB 4.43Å; V90-A123 PolarHBondContact N-O 3.3Å; V90-A123 PolarHBondContact O-N 3.46Å; V90-V125 HydrophobicContact CG2-CG2 4.17Å |
| 91 | G | 72.6 | Confident | 70.8 | Confident | 35 Ų | 35 | 76 Ų | 76 | 36% | 0.361 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 169.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L93 | G91-L93 VanDerWaalsContact C-N 3.29Å; G91-L93 PolarHBondContact O-N 3.39Å |
| 92 | N | 71.1 | Confident | 72.8 | Confident | 163 Ų | 163 | 64.1 Ų | 64.1 | 87% | 0.872 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 60.3 | 36.2 | 172.7 | -149.2 | 68.9 | 0 | 0 | 0 | 114 | G121 | N92-G121 PolarHBondContact N-O 2.93Š|
| 93 | L | 75.3 | Confident | 74.8 | Confident | 31 Ų | 31 | 67.3 Ų | 67.3 | 16% | 0.162 | 36% | 0.358 | C | S | . | . | trans | -81.4 | 139.5 | 173.1 | -67.3 | 173.2 | 0 | 0 | 0 | 109.9 | V90 G91 V97 L102 G121 A123 | V90-L93 HydrophobicContact CB-CD1 4.19Å; V90-L93 HydrophobicContact CG1-CD1 3.94Å; V90-L93 HydrophobicContact CG1-CD2 3.74Å; V90-L93 HydrophobicContact CG1-CG 3.91Å; G91-L93 VanDerWaalsContact C-N 3.29Å; G91-L93 PolarHBondContact O-N 3.39Å; L93-V97 HydrophobicContact CB-CG2 4.42Å; L93-L102 HydrophobicContact CD1-CD1 3.99Å; L93-L102 HydrophobicContact CD1-CD2 3.95Å; L93-L102 HydrophobicContact CD2-CD2 4.08Å; L93-G121 PolarHBondContact N-O 3.14Å; L93-G121 WeakPolarHBondContact O-CA 3.26Å; L93-A123 HydrophobicContact CD1-CB 3.45Å; L93-A123 VanDerWaalsContact CD1-CB 3.45Å | ||
| 94 | P | 75.6 | Confident | 76.3 | Confident | 79 Ų | 79 | 69.2 Ų | 69.2 | 51% | 0.513 | 38% | 0.375 | S | S | . | . | trans | -66 | 154 | 171.5 | 28.6 | -30 | 0 | 0 | 0 | 110.1 | D96 V97 | P94-D96 VanDerWaalsContact CB-OD1 3.24Å; P94-D96 WeakPolarHBondContact CB-OD1 3.48Å; P94-D96 PolarHBondContact O-N 2.97Å; P94-D96 VanDerWaalsContact O-N 3.16Å; P94-V97 HydrophobicContact CG-CG2 3.54Å; P94-V97 WeakPolarHBondContact O-CG2 3.36Å; P94-V97 PolarHBondContact O-N 3.21Å | ||
| 95 | V | 77.1 | Confident | 77.6 | Confident | 124 Ų | 124 | 72.6 Ų | 72.6 | 75% | 0.752 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -18.3 | -165.5 | -178.1 | 0 | 0 | 0 | 0 | 112.4 | ||
| 96 | D | 81 | Confident | 78.6 | Confident | 132 Ų | 132 | 71.7 Ų | 71.7 | 71% | 0.706 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -4.6 | -176.1 | 56.5 | -30.6 | 0 | 0 | 0 | 114.7 | P94 S98 | P94-D96 VanDerWaalsContact CB-OD1 3.24Å; P94-D96 WeakPolarHBondContact CB-OD1 3.48Å; P94-D96 PolarHBondContact O-N 2.97Å; P94-D96 VanDerWaalsContact O-N 3.16Å; D96-S98 PolarHBondContact O-N 3.02Å |
| 97 | V | 80.6 | Confident | 79.3 | Confident | 21 Ų | 21 | 75.2 Ų | 75.2 | 13% | 0.127 | 41% | 0.408 | C | S | . | . | trans | -65.2 | 126.6 | -179.3 | 177 | 0 | 0 | 0 | 0 | 111.6 | L93 P94 E101 L102 | L93-V97 HydrophobicContact CB-CG2 4.42Å; P94-V97 HydrophobicContact CG-CG2 3.54Å; P94-V97 WeakPolarHBondContact O-CG2 3.36Å; P94-V97 PolarHBondContact O-N 3.21Å; V97-E101 HydrophobicContact CG1-CB 4.33Å; V97-L102 HydrophobicContact CG1-CD1 3.93Å; V97-L102 HydrophobicContact CG1-CD2 4.2Å; V97-L102 HydrophobicContact CG1-CG 3.65Å | ||
| 98 | S | 82.4 | Confident | 79.7 | Confident | 39 Ų | 39 | 76.2 Ų | 76.2 | 27% | 0.273 | 42% | 0.416 | S | S | . | . | trans | -87.8 | 160.3 | 177.8 | 95.3 | 0 | 0 | 0 | 0 | 112.8 | D96 E100 E101 L102 | D96-S98 PolarHBondContact O-N 3.02Å; S98-E100 WeakPolarHBondContact CB-OE2 3.44Å; S98-E100 PolarHBondContact O-N 3.27Å; S98-E100 PolarHBondContact OG-N 2.85Å; S98-E100 PolarHBondContact OG-OE2 2.73Å; S98-E101 PolarHBondContact N-OE2 3.44Å; S98-E101 PolarHBondContact O-N 3.33Å; S98-E101 PolarHBondContact OG-N 3.23Å; S98-L102 PolarHBondContact O-N 3.04Å | ||
| 99 | D | 84.8 | Confident | 79.6 | Confident | 43 Ų | 43 | 81.1 Ų | 81.1 | 23% | 0.23 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -61.2 | -35.5 | 175.5 | -167.3 | 73.7 | 0 | 0 | 0 | 111.1 | L102 R103 C115 V117 | D99-L102 PolarHBondContact O-N 2.97Å; D99-R103 VanDerWaalsContact O-CG 3.31Å; D99-R103 WeakPolarHBondContact O-CG 3.36Å; D99-R103 PolarHBondContact O-N 2.88Å; D99-R103 IonicContact OD1-NH2 2.71Å; D99-R103 IonicContact OD2-CZ 2.69Å; D99-R103 VanDerWaalsContact OD2-CZ 3.25Å; D99-R103 IonicContact OD2-NE 3.99Å; D99-R103 PolarHBondContact OD2-NE 3.49Å; D99-R103 IonicContact OD2-NH2 3.66Å; D99-R103 PolarHBondContact OD2-NH2 2.67Å; D99-C115 WeakPolarHBondContact OD1-CB 3.44Å; D99-C115 PolarHBondContact OD1-SG 2.85Å; D99-V117 HydrophobicContact CB-CG2 4.26Å |
| 100 | E | 86.1 | Confident | 79.6 | Confident | 132 Ų | 132 | 75.8 Ų | 75.8 | 62% | 0.617 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -65.5 | -42.1 | 178.4 | -59.4 | 76.6 | -161.5 | 0 | 0 | 112.1 | S98 R103 A104 | S98-E100 WeakPolarHBondContact CB-OE2 3.44Å; S98-E100 PolarHBondContact O-N 3.27Å; S98-E100 PolarHBondContact OG-N 2.85Å; S98-E100 PolarHBondContact OG-OE2 2.73Å; E100-R103 PolarHBondContact O-N 3.42Å; E100-A104 WeakPolarHBondContact O-CB 3.4Å; E100-A104 PolarHBondContact O-N 3.39Å |
| 101 | E | 84.8 | Confident | 79.8 | Confident | 103 Ų | 103 | 78.7 Ų | 78.7 | 48% | 0.481 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 177.5 | -70.1 | 178.2 | 168.6 | 0 | 0 | 111.3 | V97 S98 A104 L105 | V97-E101 HydrophobicContact CG1-CB 4.33Å; S98-E101 PolarHBondContact N-OE2 3.44Å; S98-E101 PolarHBondContact O-N 3.33Å; S98-E101 PolarHBondContact OG-N 3.23Å; E101-A104 PolarHBondContact O-N 3.05Å; E101-L105 WeakPolarHBondContact O-CB 3.4Å; E101-L105 VanDerWaalsContact O-CG 3.26Å; E101-L105 WeakPolarHBondContact O-CG 3.27Å; E101-L105 PolarHBondContact O-N 3.45Å |
| 102 | L | 82.7 | Confident | 80.2 | Confident | 1 Ų | 1 | 78.3 Ų | 78.3 | 1% | 0.005 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 175.5 | -74.3 | 165.8 | 0 | 0 | 0 | 111.2 | L93 V97 S98 D99 A104 L105 F106 V117 A123 | L93-L102 HydrophobicContact CD1-CD1 3.99Å; L93-L102 HydrophobicContact CD1-CD2 3.95Å; L93-L102 HydrophobicContact CD2-CD2 4.08Å; V97-L102 HydrophobicContact CG1-CD1 3.93Å; V97-L102 HydrophobicContact CG1-CD2 4.2Å; V97-L102 HydrophobicContact CG1-CG 3.65Å; S98-L102 PolarHBondContact O-N 3.04Å; D99-L102 PolarHBondContact O-N 2.97Å; L102-A104 VanDerWaalsContact C-N 3.34Å; L102-A104 PolarHBondContact O-N 2.91Å; L102-L105 PolarHBondContact O-N 3.14Å; L102-F106 HydrophobicContact CD2-CE2 4.08Å; L102-F106 WeakPolarHBondContact O-CD2 3.11Å; L102-F106 PolarHBondContact O-N 3.31Å; L102-V117 HydrophobicContact CD1-CG1 4.44Å; L102-V117 HydrophobicContact CD1-CG2 3.5Å; L102-A123 HydrophobicContact CD1-CB 3.5Å |
| 103 | R | 85.3 | Confident | 80.8 | Confident | 86 Ų | 86 | 72.9 Ų | 72.9 | 33% | 0.325 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 175.8 | -75 | 179.5 | -165.6 | -90.2 | -2.5 | 112.1 | D99 E100 L105 F106 S107 V112 C115 | D99-R103 VanDerWaalsContact O-CG 3.31Å; D99-R103 WeakPolarHBondContact O-CG 3.36Å; D99-R103 PolarHBondContact O-N 2.88Å; D99-R103 IonicContact OD1-NH2 2.71Å; D99-R103 IonicContact OD2-CZ 2.69Å; D99-R103 VanDerWaalsContact OD2-CZ 3.25Å; D99-R103 IonicContact OD2-NE 3.99Å; D99-R103 PolarHBondContact OD2-NE 3.49Å; D99-R103 IonicContact OD2-NH2 3.66Å; D99-R103 PolarHBondContact OD2-NH2 2.67Å; E100-R103 PolarHBondContact O-N 3.42Å; R103-L105 PolarHBondContact O-N 3.05Å; R103-F106 PolarHBondContact O-N 3.25Å; R103-S107 VanDerWaalsContact O-CB 3.28Å; R103-S107 WeakPolarHBondContact O-CB 3.35Å; R103-S107 PolarHBondContact O-N 3.46Å; R103-V112 HydrophobicContact CG-CB 4.35Å; R103-V112 HydrophobicContact CG-CG1 4.18Å; R103-C115 HydrophobicContact CG-CB 4.29Å |
| 104 | A | 85.8 | Confident | 81.1 | Confident | 72 Ų | 72 | 76.5 Ų | 76.5 | 60% | 0.595 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.4 | -44 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | E100 E101 L102 F106 S107 | E100-A104 WeakPolarHBondContact O-CB 3.4Å; E100-A104 PolarHBondContact O-N 3.39Å; E101-A104 PolarHBondContact O-N 3.05Å; L102-A104 VanDerWaalsContact C-N 3.34Å; L102-A104 PolarHBondContact O-N 2.91Å; A104-F106 PolarHBondContact O-N 2.93Å; A104-S107 PolarHBondContact O-N 3.23Å |
| 105 | L | 82.8 | Confident | 81.5 | Confident | 101 Ų | 101 | 73.8 Ų | 73.8 | 53% | 0.529 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.5 | -39.7 | 177.3 | -74.2 | 169.4 | 0 | 0 | 0 | 112.9 | E101 L102 R103 K108 | E101-L105 WeakPolarHBondContact O-CB 3.4Å; E101-L105 VanDerWaalsContact O-CG 3.26Å; E101-L105 WeakPolarHBondContact O-CG 3.27Å; E101-L105 PolarHBondContact O-N 3.45Å; L102-L105 PolarHBondContact O-N 3.14Å; R103-L105 PolarHBondContact O-N 3.05Å; L105-K108 VanDerWaalsContact O-CE 3.27Å; L105-K108 WeakPolarHBondContact O-CE 3.4Å; L105-K108 WeakPolarHBondContact O-CG 3.47Å |
| 106 | F | 79.4 | Confident | 81.8 | Confident | 34 Ų | 34 | 74.3 Ų | 74.3 | 15% | 0.149 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -88.5 | -16.1 | -178.7 | -75.2 | -72.2 | 0 | 0 | 0 | 114.2 | L88 V90 L102 R103 A104 K108 Y109 G110 V112 V125 L127 | L88-F106 HydrophobicContact CD1-CD1 3.99Å; L88-F106 HydrophobicContact CD1-CE1 3.67Å; V90-F106 HydrophobicContact CG2-CE2 3.79Å; V90-F106 HydrophobicContact CG2-CZ 3.55Å; L102-F106 HydrophobicContact CD2-CE2 4.08Å; L102-F106 WeakPolarHBondContact O-CD2 3.11Å; L102-F106 PolarHBondContact O-N 3.31Å; R103-F106 PolarHBondContact O-N 3.25Å; A104-F106 PolarHBondContact O-N 2.93Å; F106-K108 PolarHBondContact O-N 2.91Å; F106-K108 VanDerWaalsContact O-N 3.1Å; F106-Y109 HydrophobicContact CD1-CD2 4.26Å; F106-Y109 PolarHBondContact O-N 3.29Å; F106-G110 PolarHBondContact O-N 2.73Å; F106-V112 HydrophobicContact CB-CG2 3.81Å; F106-V125 HydrophobicContact CB-CG1 4.12Å; F106-V125 HydrophobicContact CD2-CB 4.16Å; F106-V125 HydrophobicContact CD2-CG1 3.84Å; F106-V125 HydrophobicContact CD2-CG2 3.75Å; F106-V125 HydrophobicContact CE2-CB 4.31Å; F106-V125 HydrophobicContact CE2-CG1 4.48Å; F106-V125 HydrophobicContact CE2-CG2 3.73Å; F106-V125 HydrophobicContact CG-CG1 3.91Å; F106-L127 HydrophobicContact CB-CD2 4.29Å |
| 107 | S | 80.6 | Confident | 81.9 | Confident | 78 Ų | 78 | 70.3 Ų | 70.3 | 55% | 0.545 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56.8 | -28.6 | 178.9 | -171 | 0 | 0 | 0 | 0 | 112.8 | R103 A104 Y109 G110 | R103-S107 VanDerWaalsContact O-CB 3.28Å; R103-S107 WeakPolarHBondContact O-CB 3.35Å; R103-S107 PolarHBondContact O-N 3.46Å; A104-S107 PolarHBondContact O-N 3.23Å; S107-Y109 PolarHBondContact O-N 3.11Å; S107-G110 PolarHBondContact O-N 3.45Å |
| 108 | K | 78.9 | Confident | 82 | Confident | 146 Ų | 146 | 70 Ų | 70 | 64% | 0.635 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -20.9 | 176.2 | 70 | -166.7 | 178.5 | -178.9 | 0 | 114.1 | L105 F106 | L105-K108 VanDerWaalsContact O-CE 3.27Å; L105-K108 WeakPolarHBondContact O-CE 3.4Å; L105-K108 WeakPolarHBondContact O-CG 3.47Å; F106-K108 PolarHBondContact O-N 2.91Å; F106-K108 VanDerWaalsContact O-N 3.1Å |
| 109 | Y | 71.3 | Confident | 81.9 | Confident | 128 Ų | 128 | 79.4 Ų | 79.4 | 50% | 0.502 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -11.1 | -178.9 | -58.9 | -66.9 | 0 | 0 | 0 | 113.3 | F106 S107 | F106-Y109 HydrophobicContact CD1-CD2 4.26Å; F106-Y109 PolarHBondContact O-N 3.29Å; S107-Y109 PolarHBondContact O-N 3.11Å |
| 110 | G | 75.9 | Confident | 81.5 | Confident | 18 Ų | 18 | 86 Ų | 86 | 19% | 0.186 | 42% | 0.418 | C | S | . | . | S | Bend | trans | 146.5 | 175 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F106 S107 V112 | F106-G110 PolarHBondContact O-N 2.73Å; S107-G110 PolarHBondContact O-N 3.45Å; G110-V112 PolarHBondContact O-N 3.38Å |
| 111 | D | 81.6 | Confident | 81 | Confident | 86 Ų | 86 | 80.2 Ų | 80.2 | 46% | 0.46 | 40% | 0.395 | S | S | . | . | trans | -62.7 | 128 | 179.6 | -53.5 | -30.3 | 0 | 0 | 0 | 111.1 | R80 V128 | R80-D111 IonicContact NH1-OD2 2.74Å; R80-D111 PolarHBondContact NH1-OD2 3.39Å; D111-V128 HydrophobicContact CB-CB 4.09Å; D111-V128 HydrophobicContact CB-CG2 3.91Å; D111-V128 WeakPolarHBondContact O-CG2 3.46Å; D111-V128 PolarHBondContact O-N 2.68Å | ||
| 112 | V | 81.3 | Confident | 80.8 | Confident | 28 Ų | 28 | 77.9 Ų | 77.9 | 17% | 0.17 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 114.2 | 174.6 | -178.6 | 0 | 0 | 0 | 0 | 109.3 | R103 F106 G110 C115 V125 R126 L127 | R103-V112 HydrophobicContact CG-CB 4.35Å; R103-V112 HydrophobicContact CG-CG1 4.18Å; F106-V112 HydrophobicContact CB-CG2 3.81Å; G110-V112 PolarHBondContact O-N 3.38Å; V112-C115 HydrophobicContact CG1-CB 4.12Å; V112-V125 HydrophobicContact CG1-CG1 3.74Å; V112-V125 HydrophobicContact CG2-CG1 4.08Å; V112-R126 CarbonylContact C-O 3.44Å; V112-L127 HydrophobicContact CG2-CD2 3.93Å |
| 113 | S | 82.6 | Confident | 80.7 | Confident | 49 Ų | 49 | 77.8 Ų | 77.8 | 34% | 0.343 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | -46.9 | 176.3 | 50.2 | 0 | 0 | 0 | 0 | 113.2 | R126 | S113-R126 PolarHBondContact N-O 3.48Å; S113-R126 WeakPolarHBondContact OG-CB 3.31Å; S113-R126 VanDerWaalsContact OG-CD 3.26Å; S113-R126 WeakPolarHBondContact OG-CD 3.41Å; S113-R126 VanDerWaalsContact OG-CG 3.23Å; S113-R126 WeakPolarHBondContact OG-CG 3.32Å; S113-R126 PolarHBondContact OG-O 3.11Å |
| 114 | E | 82.2 | Confident | 80.6 | Confident | 107 Ų | 107 | 76.3 Ų | 76.3 | 50% | 0.5 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 136 | -177.8 | -59.8 | 171.3 | 175.9 | 0 | 0 | 107.9 | R126 | E114-R126 HydrophobicContact CB-CB 3.87Å; E114-R126 HydrophobicContact CG-CB 4.45Å; E114-R126 PolarHBondContact O-N 3.28Å; E114-R126 IonicContact OE1-NE 2.77Å; E114-R126 IonicContact OE2-CZ 2.68Å; E114-R126 IonicContact OE2-NE 3.03Å; E114-R126 PolarHBondContact OE2-NE 3.43Å; E114-R126 IonicContact OE2-NH2 3.44Å; E114-R126 PolarHBondContact OE2-NH2 3.43Å |
| 115 | C | 83.7 | Confident | 80.5 | Confident | 21 Ų | 21 | 72.9 Ų | 72.9 | 14% | 0.142 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 134.1 | 169 | -168.9 | 0 | 0 | 0 | 0 | 107.5 | D99 R103 V112 F124 | D99-C115 WeakPolarHBondContact OD1-CB 3.44Å; D99-C115 PolarHBondContact OD1-SG 2.85Å; R103-C115 HydrophobicContact CG-CB 4.29Å; V112-C115 HydrophobicContact CG1-CB 4.12Å; C115-F124 WeakPolarHBondContact CA-O 3.4Å |
| 116 | Y | 84 | Confident | 80.2 | Confident | 136 Ų | 136 | 69.8 Ų | 69.8 | 53% | 0.533 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 117.4 | 178.6 | 173.6 | -91.3 | 0 | 0 | 0 | 108.1 | A123 F124 | Y116-A123 CarbonylContact O-C 3.42Å; Y116-A123 WeakPolarHBondContact O-CA 3.45Å; Y116-A123 WeakPolarHBondContact O-CB 3.34Å; Y116-F124 HydrophobicContact CD1-CD2 4.11Å; Y116-F124 PolarHBondContact N-O 3.36Å; Y116-F124 PolarHBondContact O-N 3.01Å |
| 117 | V | 83.7 | Confident | 80.1 | Confident | 48 Ų | 48 | 68.2 Ų | 68.2 | 29% | 0.291 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 126.5 | 178 | -168.9 | 0 | 0 | 0 | 0 | 109.3 | D99 L102 A123 | D99-V117 HydrophobicContact CB-CG2 4.26Å; L102-V117 HydrophobicContact CD1-CG1 4.44Å; L102-V117 HydrophobicContact CD1-CG2 3.5Å; V117-A123 HydrophobicContact CG2-CB 4.38Å |
| 118 | S | 82.6 | Confident | 79.7 | Confident | 15 Ų | 15 | 65.9 Ų | 65.9 | 11% | 0.105 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 138.5 | 175.7 | -172.1 | 0 | 0 | 0 | 0 | 110.1 | K120 G121 F122 | S118-K120 PolarHBondContact O-N 3Å; S118-K120 PolarHBondContact OG-N 3.27Å; S118-G121 PolarHBondContact O-N 3.5Å; S118-F122 WeakPolarHBondContact CA-O 3.43Å; S118-F122 VanDerWaalsContact CB-CE2 3.4Å; S118-F122 WeakPolarHBondContact CB-O 3Å; S118-F122 PolarHBondContact N-O 3.42Å; S118-F122 WeakPolarHBondContact OG-CE1 3.4Å; S118-F122 WeakPolarHBondContact OG-CZ 3.3Å |
| 119 | R | 79.2 | Confident | 78.9 | Confident | 236 Ų | 236 | 63.1 Ų | 63.1 | 89% | 0.891 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -6.3 | 172.4 | -59.5 | -172.7 | -174.8 | -156.1 | 0.4 | 114 | G121 | R119-G121 VanDerWaalsContact C-N 3.31Š|
| 120 | K | 76.8 | Confident | 78.3 | Confident | 180 Ų | 180 | 57.6 Ų | 57.6 | 78% | 0.783 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 15.1 | 177.8 | -63 | -179 | 178.4 | -176.2 | 0 | 113.1 | S118 F122 | S118-K120 PolarHBondContact O-N 3Å; S118-K120 PolarHBondContact OG-N 3.27Å; K120-F122 HydrophobicContact CB-CD1 3.81Å; K120-F122 HydrophobicContact CB-CE1 3.51Å; K120-F122 HydrophobicContact CD-CE1 4.04Å; K120-F122 HydrophobicContact CG-CE1 4.33Å |
| 121 | G | 76.4 | Confident | 77.2 | Confident | 12 Ų | 12 | 66.9 Ų | 66.9 | 12% | 0.124 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 30.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | N92 L93 S118 R119 | N92-G121 PolarHBondContact N-O 2.93Å; L93-G121 PolarHBondContact N-O 3.14Å; L93-G121 WeakPolarHBondContact O-CA 3.26Å; S118-G121 PolarHBondContact O-N 3.5Å; R119-G121 VanDerWaalsContact C-N 3.31Å |
| 122 | F | 79.6 | Confident | 75.7 | Confident | 53 Ų | 53 | 72.5 Ų | 72.5 | 23% | 0.232 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 153.5 | 172.7 | 66.2 | -98.7 | 0 | 0 | 0 | 111.4 | F89 V90 S118 K120 F124 | F89-F122 HydrophobicContact CE2-CB 3.68Å; F89-F122 AromaticContact CE2-CD2 3.81Å; F89-F122 HydrophobicContact CE2-CD2 3.81Å; F89-F122 AromaticContact CE2-CG 3.84Å; F89-F122 HydrophobicContact CE2-CG 3.84Å; F89-F122 HydrophobicContact CZ-CB 3.81Å; F89-F122 HydrophobicContact CZ-CG 4.28Å; V90-F122 CarbonylContact O-C 3.58Å; V90-F122 WeakPolarHBondContact O-CA 3.21Å; V90-F122 WeakPolarHBondContact O-CB 3.23Å; S118-F122 WeakPolarHBondContact CA-O 3.43Å; S118-F122 VanDerWaalsContact CB-CE2 3.4Å; S118-F122 WeakPolarHBondContact CB-O 3Å; S118-F122 PolarHBondContact N-O 3.42Å; S118-F122 WeakPolarHBondContact OG-CE1 3.4Å; S118-F122 WeakPolarHBondContact OG-CZ 3.3Å; K120-F122 HydrophobicContact CB-CD1 3.81Å; K120-F122 HydrophobicContact CB-CE1 3.51Å; K120-F122 HydrophobicContact CD-CE1 4.04Å; K120-F122 HydrophobicContact CG-CE1 4.33Å; F122-F124 HydrophobicContact CD2-CD2 4.42Å; F122-F124 HydrophobicContact CD2-CE2 4.02Å; F122-F124 HydrophobicContact CE2-CD2 4.36Å; F122-F124 AromaticContact CE2-CE2 3.75Å; F122-F124 HydrophobicContact CE2-CE2 3.75Å |
| 123 | A | 82 | Confident | 73.8 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 156.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V90 L93 L102 Y116 V117 | V90-A123 HydrophobicContact CB-CB 4.43Å; V90-A123 PolarHBondContact N-O 3.3Å; V90-A123 PolarHBondContact O-N 3.46Å; L93-A123 HydrophobicContact CD1-CB 3.45Å; L93-A123 VanDerWaalsContact CD1-CB 3.45Å; L102-A123 HydrophobicContact CD1-CB 3.5Å; Y116-A123 CarbonylContact O-C 3.42Å; Y116-A123 WeakPolarHBondContact O-CA 3.45Å; Y116-A123 WeakPolarHBondContact O-CB 3.34Å; V117-A123 HydrophobicContact CG2-CB 4.38Å |
| 124 | F | 82.4 | Confident | 72 | Confident | 55 Ų | 55 | 76 Ų | 76 | 24% | 0.241 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 125.9 | 167.9 | -69.6 | -79.7 | 0 | 0 | 0 | 109.2 | R87 L88 F89 C115 Y116 F122 | R87-F124 HydrophobicContact CG-CB 4.27Å; R87-F124 HydrophobicContact CG-CD1 4.07Å; L88-F124 VanDerWaalsContact O-CA 3.31Å; L88-F124 WeakPolarHBondContact O-CA 3.19Å; F89-F124 HydrophobicContact CB-CD1 4.37Å; F89-F124 HydrophobicContact CB-CE1 4.14Å; F89-F124 HydrophobicContact CD2-CD1 4.17Å; F89-F124 AromaticContact CD2-CE1 3.59Å; F89-F124 HydrophobicContact CD2-CE1 3.59Å; F89-F124 HydrophobicContact CD2-CE2 4.44Å; F89-F124 AromaticContact CD2-CZ 3.74Å; F89-F124 HydrophobicContact CD2-CZ 3.74Å; F89-F124 HydrophobicContact CE2-CZ 4.25Å; F89-F124 HydrophobicContact CG-CE1 4.34Å; C115-F124 WeakPolarHBondContact CA-O 3.4Å; Y116-F124 HydrophobicContact CD1-CD2 4.11Å; Y116-F124 PolarHBondContact N-O 3.36Å; Y116-F124 PolarHBondContact O-N 3.01Å; F122-F124 HydrophobicContact CD2-CD2 4.42Å; F122-F124 HydrophobicContact CD2-CE2 4.02Å; F122-F124 HydrophobicContact CE2-CD2 4.36Å; F122-F124 AromaticContact CE2-CE2 3.75Å; F122-F124 HydrophobicContact CE2-CE2 3.75Å |
| 125 | V | 82.6 | Confident | 70 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 123.6 | 179.7 | -176.8 | 0 | 0 | 0 | 0 | 108.8 | R87 L88 V90 F106 V112 | R87-V125 CarbonylContact C-O 3.5Å; R87-V125 WeakPolarHBondContact CA-O 3.45Å; L88-V125 PolarHBondContact N-O 2.66Å; L88-V125 PolarHBondContact O-N 3.44Å; V90-V125 HydrophobicContact CG2-CG2 4.17Å; F106-V125 HydrophobicContact CB-CG1 4.12Å; F106-V125 HydrophobicContact CD2-CB 4.16Å; F106-V125 HydrophobicContact CD2-CG1 3.84Å; F106-V125 HydrophobicContact CD2-CG2 3.75Å; F106-V125 HydrophobicContact CE2-CB 4.31Å; F106-V125 HydrophobicContact CE2-CG1 4.48Å; F106-V125 HydrophobicContact CE2-CG2 3.73Å; F106-V125 HydrophobicContact CG-CG1 3.91Å; V112-V125 HydrophobicContact CG1-CG1 3.74Å; V112-V125 HydrophobicContact CG2-CG1 4.08Å |
| 126 | R | 77.5 | Confident | 67.7 | Low | 35 Ų | 35 | 81.5 Ų | 81.5 | 13% | 0.132 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 115.9 | 176.6 | -170.6 | -172.2 | -68.9 | -101.4 | 7.3 | 111 | A82 S83 C86 V112 S113 E114 | A82-R126 HydrophobicContact CB-CG 4.43Å; A82-R126 PolarHBondContact O-NH1 3.03Å; S83-R126 PolarHBondContact O-NH1 3.5Å; C86-R126 HydrophobicContact CB-CG 4.23Å; C86-R126 VanDerWaalsContact O-CA 3.28Å; C86-R126 WeakPolarHBondContact O-CA 3.32Å; V112-R126 CarbonylContact C-O 3.44Å; S113-R126 PolarHBondContact N-O 3.48Å; S113-R126 WeakPolarHBondContact OG-CB 3.31Å; S113-R126 VanDerWaalsContact OG-CD 3.26Å; S113-R126 WeakPolarHBondContact OG-CD 3.41Å; S113-R126 VanDerWaalsContact OG-CG 3.23Å; S113-R126 WeakPolarHBondContact OG-CG 3.32Å; S113-R126 PolarHBondContact OG-O 3.11Å; E114-R126 HydrophobicContact CB-CB 3.87Å; E114-R126 HydrophobicContact CG-CB 4.45Å; E114-R126 PolarHBondContact O-N 3.28Å; E114-R126 IonicContact OE1-NE 2.77Å; E114-R126 IonicContact OE2-CZ 2.68Å; E114-R126 IonicContact OE2-NE 3.03Å; E114-R126 PolarHBondContact OE2-NE 3.43Å; E114-R126 IonicContact OE2-NH2 3.44Å; E114-R126 PolarHBondContact OE2-NH2 3.43Å |
| 127 | L | 77.2 | Confident | 65.7 | Low | 1 Ų | 1 | 78.8 Ų | 78.8 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 138.1 | 173.7 | -62.8 | 176.9 | 0 | 0 | 0 | 111.5 | C86 L88 F106 V112 | C86-L127 WeakPolarHBondContact CB-O 3.41Å; C86-L127 PolarHBondContact O-N 3.23Å; L88-L127 HydrophobicContact CD1-CD1 3.83Å; L88-L127 HydrophobicContact CD1-CG 4.3Å; F106-L127 HydrophobicContact CB-CD2 4.29Å; V112-L127 HydrophobicContact CG2-CD2 3.93Å |
| 128 | V | 72 | Confident | 63.5 | Low | 29 Ų | 29 | 81 Ų | 81 | 18% | 0.176 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -68.6 | -41.5 | 175.6 | 175.9 | 0 | 0 | 0 | 0 | 110.7 | R80 D111 | R80-V128 HydrophobicContact CB-CG1 4.39Å; D111-V128 HydrophobicContact CB-CB 4.09Å; D111-V128 HydrophobicContact CB-CG2 3.91Å; D111-V128 WeakPolarHBondContact O-CG2 3.46Å; D111-V128 PolarHBondContact O-N 2.68Å |
| 129 | N | 63 | Low | 61.2 | Low | 89 Ų | 89 | 90.9 Ų | 90.9 | 48% | 0.476 | 40% | 0.398 | S | S | . | . | trans | -114.2 | 75 | -172.1 | -83.6 | -32.6 | 0 | 0 | 0 | 112.3 | R131 | N129-R131 PolarHBondContact O-N 2.87Š| ||
| 130 | C | 58.2 | Low | 59.2 | Low | 12 Ų | 12 | 91.1 Ų | 91.1 | 8% | 0.081 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -10.2 | 172.2 | -92.8 | 0 | 0 | 0 | 0 | 117.2 | C86 R132 F133 W134 | C86-C130 WeakPolarHBondContact CA-SG 3.39Å; C86-C130 HydrophobicContact CB-CB 4.2Å; C86-C130 WeakPolarHBondContact CB-SG 3.27Å; C86-C130 WeakPolarHBondContact SG-CB 3.5Å; C86-C130 CovalentContact SG-SG 2Å; C86-C130 PolarHBondContact SG-SG 3.42Å; C130-R132 PolarHBondContact O-N 3.31Å; C130-F133 PolarHBondContact O-N 3.38Å; C130-F133 VanDerWaalsContact O-N 3.16Å; C130-W134 VanDerWaalsContact CB-CD1 3.5Å; C130-W134 PolarHBondContact O-N 3.48Å; C130-W134 PolarHBondContact SG-NE1 3.08Å |
| 131 | R | 53.3 | Low | 57.3 | Low | 213 Ų | 213 | 90.2 Ų | 90.2 | 80% | 0.804 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -56.5 | -36.9 | -173.7 | -78.2 | -171.4 | 175.4 | -162.9 | -0.2 | 110.8 | N129 A135 | N129-R131 PolarHBondContact O-N 2.87Å; R131-A135 WeakPolarHBondContact O-CA 3.25Å; R131-A135 WeakPolarHBondContact O-CB 3.5Å; R131-A135 PolarHBondContact O-N 3.38Å |
| 132 | R | 48.8 | Very low | 55.4 | Low | 204 Ų | 204 | 92.1 Ų | 92.1 | 77% | 0.77 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -73.5 | -42.7 | 175.7 | -90.8 | -177.9 | 156.5 | 143.3 | -5.2 | 114.1 | C130 | C130-R132 PolarHBondContact O-N 3.31Å |
| 133 | F | 42.7 | Very low | 53.3 | Low | 91 Ų | 91 | 93.7 Ų | 93.7 | 40% | 0.399 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68.6 | -37.5 | -179.1 | -168 | -97.9 | 0 | 0 | 0 | 112.7 | L88 C130 | L88-F133 HydrophobicContact CD2-CD1 4.01Å; L88-F133 HydrophobicContact CD2-CE1 3.42Å; L88-F133 VanDerWaalsContact CD2-CE1 3.42Å; L88-F133 HydrophobicContact CD2-CE2 4.37Å; L88-F133 HydrophobicContact CD2-CZ 3.63Å; C130-F133 PolarHBondContact O-N 3.38Å; C130-F133 VanDerWaalsContact O-N 3.16Å |
| 134 | W | 43.4 | Very low | 51.1 | Low | 59 Ų | 59 | 96.4 Ų | 96.4 | 22% | 0.223 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -96.4 | -12.3 | -179 | -68.6 | 89.8 | 0 | 0 | 0 | 114.9 | R85 C130 Q136 I137 R138 | R85-W134 HydrophobicContact CB-CZ2 4.06Å; R85-W134 WeakPolarHBondContact O-CZ2 3.32Å; R85-W134 PolarHBondContact O-NE1 3.47Å; C130-W134 VanDerWaalsContact CB-CD1 3.5Å; C130-W134 PolarHBondContact O-N 3.48Å; C130-W134 PolarHBondContact SG-NE1 3.08Å; W134-Q136 PolarHBondContact O-N 3.12Å; W134-I137 HydrophobicContact CE3-CB 4.25Å; W134-I137 HydrophobicContact CE3-CD1 4.21Å; W134-I137 HydrophobicContact CE3-CG2 4.25Å; W134-I137 HydrophobicContact CZ3-CD1 4.21Å; W134-I137 HydrophobicContact CZ3-CG2 4.28Å; W134-I137 PolarHBondContact O-N 3.4Å; W134-I137 VanDerWaalsContact O-N 3.16Å; W134-R138 HydrophobicContact CB-CG 4.42Å; W134-R138 VanDerWaalsContact CB-CZ 3.44Å; W134-R138 VanDerWaalsContact CG-NH2 3.31Å; W134-R138 VanDerWaalsContact O-CB 3.3Å; W134-R138 WeakPolarHBondContact O-CB 3.41Å; W134-R138 VanDerWaalsContact O-CG 3.3Å; W134-R138 WeakPolarHBondContact O-CG 3.27Å; W134-R138 PolarHBondContact O-N 3.31Å; W134-R138 VanDerWaalsContact O-N 3.12Å |
| 135 | A | 40 | Very low | 49 | Very low | 67 Ų | 67 | 98.6 Ų | 98.6 | 55% | 0.554 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -62.5 | -28.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R131 I137 | R131-A135 WeakPolarHBondContact O-CA 3.25Å; R131-A135 WeakPolarHBondContact O-CB 3.5Å; R131-A135 PolarHBondContact O-N 3.38Å; A135-I137 VanDerWaalsContact C-N 3.32Å; A135-I137 PolarHBondContact O-N 3.34Å |
| 136 | Q | 37.2 | Very low | 46.9 | Very low | 177 Ų | 177 | 100.9 Ų | 100.9 | 83% | 0.827 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -25.2 | 176.1 | -155.4 | 76.4 | 27.4 | 0 | 0 | 112.9 | W134 | W134-Q136 PolarHBondContact O-N 3.12Š|
| 137 | I | 40.5 | Very low | 45 | Very low | 79 Ų | 79 | 103.7 Ų | 103.7 | 41% | 0.405 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -18.5 | -173.5 | -61.8 | 174.7 | 0 | 0 | 0 | 112.2 | W134 A135 Y139 | W134-I137 HydrophobicContact CE3-CB 4.25Å; W134-I137 HydrophobicContact CE3-CD1 4.21Å; W134-I137 HydrophobicContact CE3-CG2 4.25Å; W134-I137 HydrophobicContact CZ3-CD1 4.21Å; W134-I137 HydrophobicContact CZ3-CG2 4.28Å; W134-I137 PolarHBondContact O-N 3.4Å; W134-I137 VanDerWaalsContact O-N 3.16Å; A135-I137 VanDerWaalsContact C-N 3.32Å; A135-I137 PolarHBondContact O-N 3.34Å; I137-Y139 PolarHBondContact O-N 2.87Å |
| 138 | R | 37.3 | Very low | 43.4 | Very low | 93 Ų | 93 | 107.1 Ų | 107.1 | 35% | 0.351 | 51% | 0.511 | S | S | . | . | trans | -92.6 | 11.9 | -163.6 | -84 | -174.5 | -166.1 | 156.6 | 11.1 | 118.1 | R85 W134 R140 | R85-R138 VanDerWaalsContact NH1-CZ 3.26Å; W134-R138 HydrophobicContact CB-CG 4.42Å; W134-R138 VanDerWaalsContact CB-CZ 3.44Å; W134-R138 VanDerWaalsContact CG-NH2 3.31Å; W134-R138 VanDerWaalsContact O-CB 3.3Å; W134-R138 WeakPolarHBondContact O-CB 3.41Å; W134-R138 VanDerWaalsContact O-CG 3.3Å; W134-R138 WeakPolarHBondContact O-CG 3.27Å; W134-R138 PolarHBondContact O-N 3.31Å; W134-R138 VanDerWaalsContact O-N 3.12Å; R138-R140 PolarHBondContact O-N 3.45Å | ||
| 139 | Y | 35.9 | Very low | 42 | Very low | 223 Ų | 223 | 115.5 Ų | 115.5 | 88% | 0.875 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -86.1 | 12.6 | -169.2 | -146.4 | -96.7 | 0 | 0 | 0 | 116.6 | I137 | I137-Y139 PolarHBondContact O-N 2.87Š|
| 140 | R | 36.2 | Very low | 40.8 | Very low | 241 Ų | 241 | 114.7 Ų | 114.7 | 91% | 0.909 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -128.4 | 1.1 | -167 | -98 | -171.7 | 176.9 | 173.5 | -0.7 | 120.2 | R138 | R138-R140 PolarHBondContact O-N 3.45Š|
| 141 | Q | 37.6 | Very low | 40.3 | Very low | 161 Ų | 161 | 117 Ų | 117 | 75% | 0.752 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -130.6 | 125 | 176.9 | -63.9 | -163.7 | -2.6 | 0 | 0 | 111.4 | I143 | Q141-I143 WeakPolarHBondContact O-CG1 3.49Å; Q141-I143 PolarHBondContact O-N 2.89Å |
| 142 | G | 35.1 | Very low | 40.3 | Very low | 52 Ų | 52 | 113.5 Ų | 113.5 | 54% | 0.536 | 56% | 0.559 | S | S | . | * | trans | -62.4 | 97.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V144 V164 | G142-V144 PolarHBondContact O-N 3.16Å; G142-V164 WeakPolarHBondContact O-CG2 3.27Å | ||
| 143 | I | 37.4 | Very low | 40.9 | Very low | 86 Ų | 86 | 106.1 Ų | 106.1 | 44% | 0.441 | 53% | 0.534 | S | S | . | . | trans | -81.2 | 102.2 | -179.7 | -60.1 | 174.5 | 0 | 0 | 0 | 108.9 | Q141 V161 | Q141-I143 WeakPolarHBondContact O-CG1 3.49Å; Q141-I143 PolarHBondContact O-N 2.89Å; I143-V161 HydrophobicContact CG1-CG1 4.38Å; I143-V161 HydrophobicContact CG2-CG1 4.15Å; I143-V161 HydrophobicContact CG2-CG2 4.06Å | ||
| 144 | V | 35.9 | Very low | 41.7 | Very low | 58 Ų | 58 | 102.6 Ų | 102.6 | 35% | 0.352 | 52% | 0.519 | S | S | . | . | B | Isolated β-bridge | trans | -86.9 | 110.9 | 160.9 | -176.4 | 0 | 0 | 0 | 0 | 107.5 | G142 I146 H162 V164 | G142-V144 PolarHBondContact O-N 3.16Å; V144-I146 PolarHBondContact O-N 3.26Å; V144-H162 PolarHBondContact O-N 2.9Å; V144-V164 HydrophobicContact CG2-CG1 4.22Å |
| 145 | T | 37.1 | Very low | 42.3 | Very low | 100 Ų | 100 | 104.4 Ų | 104.4 | 61% | 0.613 | 53% | 0.532 | S | S | * | . | trans | -84.8 | 109.7 | 174 | -53.4 | 0 | 0 | 0 | 0 | 107.8 | P147 | T145-P147 WeakPolarHBondContact O-CD 3.32Š| ||
| 146 | I | 38.7 | Very low | 43.5 | Very low | 48 Ų | 48 | 107.6 Ų | 107.6 | 25% | 0.246 | 54% | 0.535 | C | S | . | . | trans | -77.7 | 123.6 | 172.9 | -55.7 | 173.5 | 0 | 0 | 0 | 107.1 | L11 V144 F148 H162 | L11-I146 HydrophobicContact CD1-CD1 4.17Å; L11-I146 HydrophobicContact CD1-CG2 4.42Å; V144-I146 PolarHBondContact O-N 3.26Å; I146-F148 HydrophobicContact CB-CE2 4.32Å; I146-F148 PolarHBondContact O-N 3.42Å; I146-H162 HydrophobicContact CD1-CB 3.86Å; I146-H162 HydrophobicContact CG1-CB 4.31Å | ||
| 147 | P | 37.8 | Very low | 45 | Very low | 95 Ų | 95 | 101.3 Ų | 101.3 | 62% | 0.617 | 51% | 0.509 | S | S | * | . | trans | -66.8 | 96.7 | 171.7 | 26.9 | -31.6 | 0 | 0 | 0 | 108.8 | T145 K149 | T145-P147 WeakPolarHBondContact O-CD 3.32Å; P147-K149 PolarHBondContact O-N 3.03Å | ||
| 148 | F | 43.8 | Very low | 46.3 | Very low | 72 Ų | 72 | 100.1 Ų | 100.1 | 32% | 0.316 | 50% | 0.503 | S | S | . | . | trans | -69.7 | 81.2 | 165.3 | -79.8 | -90.1 | 0 | 0 | 0 | 108.3 | I146 S150 F154 A160 L198 | I146-F148 HydrophobicContact CB-CE2 4.32Å; I146-F148 PolarHBondContact O-N 3.42Å; F148-S150 VanDerWaalsContact C-N 3.28Å; F148-F154 HydrophobicContact CD1-CD2 4.3Å; F148-F154 HydrophobicContact CE1-CD2 4.34Å; F148-F154 HydrophobicContact CE1-CE2 4.28Å; F148-A160 HydrophobicContact CD2-CB 3.79Å; F148-A160 HydrophobicContact CE2-CB 3.58Å; F148-L198 HydrophobicContact CE1-CD1 4.24Å; F148-L198 HydrophobicContact CE1-CD2 4.06Å; F148-L198 HydrophobicContact CZ-CD1 4.42Å | ||
| 149 | K | 42.6 | Very low | 47.8 | Very low | 205 Ų | 205 | 98.9 Ų | 98.9 | 89% | 0.891 | 50% | 0.499 | S | S | * | . | trans | -86.4 | 5.1 | 169.2 | -81 | -170.4 | 175.8 | -177 | 0 | 112.8 | P147 | P147-K149 PolarHBondContact O-N 3.03Š| ||
| 150 | S | 37.9 | Very low | 49.4 | Very low | 72 Ų | 72 | 88.9 Ų | 88.9 | 50% | 0.503 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -127.1 | 134.1 | -172.7 | 61.6 | 0 | 0 | 0 | 0 | 113.5 | F148 | F148-S150 VanDerWaalsContact C-N 3.28Š|
| 151 | S | 48 | Very low | 51.2 | Low | 61 Ų | 61 | 78.5 Ų | 78.5 | 43% | 0.427 | 43% | 0.426 | S | S | . | . | trans | 82.2 | 129 | 168.9 | 77.3 | 0 | 0 | 0 | 0 | 118.7 | I153 M196 | S151-I153 PolarHBondContact O-N 2.9Å; S151-M196 VanDerWaalsContact OG-CE 3.27Å; S151-M196 WeakPolarHBondContact OG-CE 3.43Å | ||
| 152 | L | 52.2 | Low | 53 | Low | 139 Ų | 139 | 71.3 Ų | 71.3 | 73% | 0.728 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -56.8 | -6.9 | 173.5 | -70.6 | 123.5 | 0 | 0 | 0 | 114.3 | L155 | L152-L155 HydrophobicContact CB-CD1 4.13Å; L152-L155 HydrophobicContact CD2-CD1 4.09Å; L152-L155 WeakPolarHBondContact O-CD1 3.32Å; L152-L155 VanDerWaalsContact O-CG 3.24Å; L152-L155 WeakPolarHBondContact O-CG 3.29Å |
| 153 | I | 61 | Low | 55.1 | Low | 49 Ų | 49 | 71 Ų | 71 | 25% | 0.251 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -74 | -33.6 | -173.6 | -57.7 | 174.1 | 0 | 0 | 0 | 111.1 | S151 A187 R190 V191 M196 | S151-I153 PolarHBondContact O-N 2.9Å; I153-A187 HydrophobicContact CG2-CB 4.26Å; I153-R190 HydrophobicContact CG2-CB 4.28Å; I153-V191 HydrophobicContact CG2-CG2 4.37Å; I153-M196 HydrophobicContact CD1-CE 4.22Å; I153-M196 HydrophobicContact CD1-SD 4.36Å |
| 154 | F | 60 | Low | 57.2 | Low | 17 Ų | 17 | 68.4 Ų | 68.4 | 8% | 0.075 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -100.6 | 25.5 | -178 | -70.2 | -69.3 | 0 | 0 | 0 | 113.6 | I5 F148 H156 T157 V176 F178 A187 V191 M196 | I5-F154 HydrophobicContact CD1-CE1 4.14Å; I5-F154 HydrophobicContact CD1-CZ 3.76Å; F148-F154 HydrophobicContact CD1-CD2 4.3Å; F148-F154 HydrophobicContact CE1-CD2 4.34Å; F148-F154 HydrophobicContact CE1-CE2 4.28Å; F154-H156 PolarHBondContact O-N 2.86Å; F154-T157 WeakPolarHBondContact O-CB 3.38Å; F154-T157 PolarHBondContact O-N 3.45Å; F154-T157 PolarHBondContact O-OG1 3.5Å; F154-V176 HydrophobicContact CD1-CG1 4.16Å; F154-V176 HydrophobicContact CE1-CG1 4.33Å; F154-F178 HydrophobicContact CD1-CE1 4.05Å; F154-F178 HydrophobicContact CD1-CE2 4.26Å; F154-F178 AromaticContact CD1-CZ 3.42Å; F154-F178 HydrophobicContact CD1-CZ 3.42Å; F154-F178 VanDerWaalsContact CD1-CZ 3.42Å; F154-F178 HydrophobicContact CE1-CE2 4.34Å; F154-F178 AromaticContact CE1-CZ 3.74Å; F154-F178 HydrophobicContact CE1-CZ 3.74Å; F154-A187 HydrophobicContact CE1-CB 4.4Å; F154-V191 HydrophobicContact CZ-CG2 4.28Å; F154-M196 HydrophobicContact CD2-CE 3.78Å; F154-M196 HydrophobicContact CD2-SD 4.5Å; F154-M196 HydrophobicContact CE2-CE 3.33Å; F154-M196 HydrophobicContact CE2-SD 3.57Å; F154-M196 VanDerWaalsContact CE2-SD 3.57Å; F154-M196 HydrophobicContact CZ-CE 4.41Å; F154-M196 HydrophobicContact CZ-SD 4.12Å |
| 155 | L | 56.4 | Low | 59.3 | Low | 97 Ų | 97 | 68.1 Ų | 68.1 | 51% | 0.508 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 138.6 | 173 | -71 | 164.8 | 0 | 0 | 0 | 110.3 | L152 T157 | L152-L155 HydrophobicContact CB-CD1 4.13Å; L152-L155 HydrophobicContact CD2-CD1 4.09Å; L152-L155 WeakPolarHBondContact O-CD1 3.32Å; L152-L155 VanDerWaalsContact O-CG 3.24Å; L152-L155 WeakPolarHBondContact O-CG 3.29Å; L155-T157 VanDerWaalsContact C-N 3.35Å |
| 156 | H | 65.4 | Low | 61.5 | Low | 134 Ų | 134 | 71.4 Ų | 71.4 | 62% | 0.62 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 30 | -177.7 | -42.7 | 86.8 | 0 | 0 | 0 | 115 | F154 E179 | F154-H156 PolarHBondContact O-N 2.86Å; H156-E179 HydrophobicContact CB-CB 4.35Å; H156-E179 WeakPolarHBondContact O-CB 3.47Å; H156-E179 PolarHBondContact O-N 3.12Å |
| 157 | T | 68.3 | Low | 63.3 | Low | 46 Ų | 46 | 75.9 Ų | 75.9 | 28% | 0.282 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 127.7 | 165.6 | -59.4 | 0 | 0 | 0 | 0 | 109.8 | F154 L155 R159 V176 E177 | F154-T157 WeakPolarHBondContact O-CB 3.38Å; F154-T157 PolarHBondContact O-N 3.45Å; F154-T157 PolarHBondContact O-OG1 3.5Å; L155-T157 VanDerWaalsContact C-N 3.35Å; T157-R159 WeakPolarHBondContact CG2-O 3.19Å; T157-V176 HydrophobicContact CG2-CG1 3.52Å; T157-E177 WeakPolarHBondContact CG2-O 3.1Å |
| 158 | L | 68.9 | Low | 65.1 | Low | 53 Ų | 53 | 73.6 Ų | 73.6 | 28% | 0.277 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | -39.9 | 174.6 | -70.8 | 174.5 | 0 | 0 | 0 | 112.2 | G84 E177 E179 | G84-L158 VanDerWaalsContact N-CD1 3.26Å; L158-E177 HydrophobicContact CB-CG 4.32Å; L158-E177 WeakPolarHBondContact CB-O 3.15Å; L158-E177 HydrophobicContact CD1-CG 4.32Å; L158-E177 PolarHBondContact N-O 3.11Å; L158-E179 HydrophobicContact CD1-CB 4.22Å; L158-E179 HydrophobicContact CD2-CB 4.04Å; L158-E179 HydrophobicContact CD2-CG 4.15Å; L158-E179 HydrophobicContact CG-CB 3.87Å; L158-E179 HydrophobicContact CG-CG 4.42Å |
| 159 | R | 67 | Low | 66.5 | Low | 68 Ų | 68 | 77.3 Ų | 77.3 | 26% | 0.257 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 139.9 | -177.2 | -178.6 | 171.9 | 64.7 | 129.1 | 2.5 | 110.3 | R85 T157 V161 E177 | R85-R159 VanDerWaalsContact CZ-NE 3.28Å; R85-R159 VanDerWaalsContact NH1-CZ 3.26Å; R85-R159 VanDerWaalsContact NH1-NH1 3.18Å; T157-R159 WeakPolarHBondContact CG2-O 3.19Å; R159-V161 HydrophobicContact CG-CG2 3.76Å; R159-E177 HydrophobicContact CB-CB 4.1Å; R159-E177 IonicContact CZ-OE2 3.25Å; R159-E177 PolarHBondContact N-O 3.39Å; R159-E177 IonicContact NE-OE2 2.92Å; R159-E177 PolarHBondContact NE-OE2 3.03Å; R159-E177 IonicContact NH2-OE2 3.93Å; R159-E177 PolarHBondContact O-N 2.95Å |
| 160 | A | 70.1 | Confident | 68.2 | Low | 13 Ų | 13 | 69 Ų | 69 | 11% | 0.107 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 131.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | F148 I175 V176 | F148-A160 HydrophobicContact CD2-CB 3.79Å; F148-A160 HydrophobicContact CE2-CB 3.58Å; A160-I175 CarbonylContact C-O 3.59Å; A160-I175 WeakPolarHBondContact CA-O 3.37Å; A160-V176 HydrophobicContact CB-CG2 4.12Å |
| 161 | V | 73.3 | Confident | 70.3 | Confident | 23 Ų | 23 | 68.8 Ų | 68.8 | 14% | 0.139 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 130.8 | 179.2 | -176.8 | 0 | 0 | 0 | 0 | 108.4 | I143 R159 G174 I175 | I143-V161 HydrophobicContact CG1-CG1 4.38Å; I143-V161 HydrophobicContact CG2-CG1 4.15Å; I143-V161 HydrophobicContact CG2-CG2 4.06Å; R159-V161 HydrophobicContact CG-CG2 3.76Å; V161-G174 CarbonylContact O-C 3.58Å; V161-G174 WeakPolarHBondContact O-CA 3.44Å; V161-I175 PolarHBondContact N-O 2.92Å; V161-I175 PolarHBondContact O-N 3.29Å |
| 162 | H | 76.7 | Confident | 71.9 | Confident | 9 Ų | 9 | 66.2 Ų | 66.2 | 4% | 0.042 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 131.1 | 166.9 | -164.5 | -150.1 | 0 | 0 | 0 | 109.3 | V144 I146 P170 E173 | V144-H162 PolarHBondContact O-N 2.9Å; I146-H162 HydrophobicContact CD1-CB 3.86Å; I146-H162 HydrophobicContact CG1-CB 4.31Å; H162-P170 WeakPolarHBondContact CE1-CB 3.38Å; H162-E173 PolarHBondContact CD2-O 2.74Å |
| 163 | I | 79.7 | Confident | 73.4 | Confident | 47 Ų | 47 | 62.9 Ų | 62.9 | 24% | 0.241 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 131.1 | 179.1 | -59.7 | 168.3 | 0 | 0 | 0 | 107.4 | T171 E173 I175 | I163-T171 WeakPolarHBondContact CB-OG1 3.49Å; I163-T171 HydrophobicContact CG2-CG2 3.96Å; I163-T171 PolarHBondContact O-N 2.94Å; I163-T171 PolarHBondContact O-OG1 3.15Å; I163-E173 HydrophobicContact CB-CB 4.48Å; I163-E173 WeakPolarHBondContact CB-O 3.42Å; I163-E173 HydrophobicContact CD1-CB 3.91Å; I163-E173 PolarHBondContact N-O 2.9Å; I163-I175 HydrophobicContact CD1-CD1 4.13Å; I163-I175 HydrophobicContact CD1-CG1 4.06Å; I163-I175 HydrophobicContact CG1-CG1 4.5Å |
| 164 | V | 80.1 | Confident | 74.5 | Confident | 30 Ų | 30 | 60.9 Ų | 60.9 | 18% | 0.182 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 150.3 | 176.2 | -64 | 0 | 0 | 0 | 0 | 109.4 | G142 V144 R169 | G142-V164 WeakPolarHBondContact O-CG2 3.27Å; V144-V164 HydrophobicContact CG2-CG1 4.22Å; V164-R169 CarbonylContact C-O 3.48Å; V164-R169 WeakPolarHBondContact CA-O 3.21Å |
| 165 | D | 79.5 | Confident | 75.7 | Confident | 53 Ų | 53 | 61.5 Ų | 61.5 | 28% | 0.283 | 32% | 0.323 | S | S | . | . | trans | -71.7 | 177.4 | 170.2 | 72.3 | 7.6 | 0 | 0 | 0 | 111.3 | H167 G168 R169 T171 | D165-H167 PolarHBondContact O-N 3.48Å; D165-H167 VanDerWaalsContact O-N 3.08Å; D165-H167 VanDerWaalsContact OD1-C 3.27Å; D165-H167 VanDerWaalsContact OD1-CA 3.28Å; D165-H167 WeakPolarHBondContact OD1-CA 3.18Å; D165-H167 WeakPolarHBondContact OD1-CB 3.24Å; D165-H167 PolarHBondContact OD1-N 2.96Å; D165-H167 IonicContact OD2-ND1 3.25Å; D165-G168 PolarHBondContact O-N 3.11Å; D165-G168 PolarHBondContact OD1-N 3.25Å; D165-R169 PolarHBondContact N-O 2.88Å; D165-R169 WeakPolarHBondContact OD1-CA 3.45Å; D165-R169 WeakPolarHBondContact OD1-CB 3.27Å; D165-R169 PolarHBondContact OD1-N 3.21Å; D165-R169 WeakPolarHBondContact OD2-CB 3.34Å; D165-R169 WeakPolarHBondContact OD2-CD 3.41Å; D165-R169 IonicContact OD2-NE 3.31Å; D165-T171 HydrophobicContact CB-CG2 4.41Å | ||
| 166 | D | 83.3 | Confident | 77 | Confident | 169 Ų | 169 | 57.1 Ų | 57.1 | 90% | 0.904 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -17.6 | 178.6 | -60.5 | -31.1 | 0 | 0 | 0 | 113.4 | ||
| 167 | H | 78.2 | Confident | 77.8 | Confident | 142 Ų | 142 | 51.3 Ų | 51.3 | 66% | 0.657 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 2.1 | 176.5 | -56.7 | 86.7 | 0 | 0 | 0 | 112.5 | D165 R169 | D165-H167 PolarHBondContact O-N 3.48Å; D165-H167 VanDerWaalsContact O-N 3.08Å; D165-H167 VanDerWaalsContact OD1-C 3.27Å; D165-H167 VanDerWaalsContact OD1-CA 3.28Å; D165-H167 WeakPolarHBondContact OD1-CA 3.18Å; D165-H167 WeakPolarHBondContact OD1-CB 3.24Å; D165-H167 PolarHBondContact OD1-N 2.96Å; D165-H167 IonicContact OD2-ND1 3.25Å; H167-R169 VanDerWaalsContact C-N 3.28Å; H167-R169 HydrophobicContact CB-CG 4.13Å; H167-R169 PolarHBondContact O-N 2.92Å |
| 168 | G | 74 | Confident | 78.4 | Confident | 46 Ų | 46 | 49.3 Ų | 49.3 | 47% | 0.474 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 75.3 | 12.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D165 | D165-G168 PolarHBondContact O-N 3.11Å; D165-G168 PolarHBondContact OD1-N 3.25Å |
| 169 | R | 74.6 | Confident | 78.8 | Confident | 150 Ų | 150 | 50.9 Ų | 50.9 | 57% | 0.566 | 27% | 0.267 | S | S | * | . | trans | -79.7 | 138.4 | 175.5 | -49.3 | 176.9 | -143.9 | -175.1 | 7.9 | 109.6 | V164 D165 H167 T171 | V164-R169 CarbonylContact C-O 3.48Å; V164-R169 WeakPolarHBondContact CA-O 3.21Å; D165-R169 PolarHBondContact N-O 2.88Å; D165-R169 WeakPolarHBondContact OD1-CA 3.45Å; D165-R169 WeakPolarHBondContact OD1-CB 3.27Å; D165-R169 PolarHBondContact OD1-N 3.21Å; D165-R169 WeakPolarHBondContact OD2-CB 3.34Å; D165-R169 WeakPolarHBondContact OD2-CD 3.41Å; D165-R169 IonicContact OD2-NE 3.31Å; H167-R169 VanDerWaalsContact C-N 3.28Å; H167-R169 HydrophobicContact CB-CG 4.13Å; H167-R169 PolarHBondContact O-N 2.92Å; R169-T171 PolarHBondContact O-N 3.49Å | ||
| 170 | P | 78.6 | Confident | 79.5 | Confident | 32 Ų | 32 | 55.9 Ų | 55.9 | 21% | 0.208 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 126.2 | 175.9 | 23.9 | -35.3 | 0 | 0 | 0 | 112.5 | P10 H162 G172 | P10-P170 HydrophobicContact CB-CB 3.77Å; P10-P170 HydrophobicContact CB-CG 3.24Å; H162-P170 WeakPolarHBondContact CE1-CB 3.38Å; P170-G172 VanDerWaalsContact C-N 3.26Å; P170-G172 PolarHBondContact O-N 3Å |
| 171 | T | 80.3 | Confident | 80.2 | Confident | 67 Ų | 67 | 61.7 Ų | 61.7 | 41% | 0.411 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | -11.4 | 177.1 | 64.2 | 0 | 0 | 0 | 0 | 113.3 | I163 D165 R169 E173 | I163-T171 WeakPolarHBondContact CB-OG1 3.49Å; I163-T171 HydrophobicContact CG2-CG2 3.96Å; I163-T171 PolarHBondContact O-N 2.94Å; I163-T171 PolarHBondContact O-OG1 3.15Å; D165-T171 HydrophobicContact CB-CG2 4.41Å; R169-T171 PolarHBondContact O-N 3.49Å; T171-E173 VanDerWaalsContact C-N 3.27Å; T171-E173 PolarHBondContact OG1-N 2.77Å |
| 172 | G | 82.1 | Confident | 80.9 | Confident | 7 Ų | 7 | 65.1 Ų | 65.1 | 7% | 0.072 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 81.7 | 4.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R7 C8 P170 | R7-G172 PolarHBondContact N-O 3.32Å; R7-G172 VanDerWaalsContact N-O 3.15Å; C8-G172 PolarHBondContact N-O 2.92Å; C8-G172 VanDerWaalsContact N-O 3.16Å; C8-G172 VanDerWaalsContact O-CA 3.3Å; C8-G172 WeakPolarHBondContact O-CA 3.5Å; P170-G172 VanDerWaalsContact C-N 3.26Å; P170-G172 PolarHBondContact O-N 3Å |
| 173 | E | 84.5 | Confident | 81.3 | Confident | 68 Ų | 68 | 66.2 Ų | 66.2 | 32% | 0.318 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 147.3 | 174.4 | -56 | -166 | 152.3 | 0 | 0 | 111.1 | K4 I5 H162 I163 T171 | K4-E173 WeakPolarHBondContact CE-OE1 3.44Å; K4-E173 WeakPolarHBondContact CE-OE2 3.42Å; K4-E173 IonicContact NZ-OE1 3.36Å; K4-E173 PolarHBondContact NZ-OE1 3.22Å; K4-E173 IonicContact NZ-OE2 3.03Å; K4-E173 PolarHBondContact NZ-OE2 3.47Å; I5-E173 CarbonylContact O-C 3.46Å; I5-E173 WeakPolarHBondContact O-CA 3.41Å; H162-E173 PolarHBondContact CD2-O 2.74Å; I163-E173 HydrophobicContact CB-CB 4.48Å; I163-E173 WeakPolarHBondContact CB-O 3.42Å; I163-E173 HydrophobicContact CD1-CB 3.91Å; I163-E173 PolarHBondContact N-O 2.9Å; T171-E173 VanDerWaalsContact C-N 3.27Å; T171-E173 PolarHBondContact OG1-N 2.77Å |
| 174 | G | 83 | Confident | 81.6 | Confident | 7 Ų | 7 | 64 Ų | 64 | 7% | 0.072 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 160.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | K4 I5 V161 | K4-G174 CarbonylContact C-O 3.59Å; K4-G174 WeakPolarHBondContact CA-O 3.33Å; I5-G174 PolarHBondContact N-O 2.88Å; I5-G174 PolarHBondContact O-N 2.97Å; V161-G174 CarbonylContact O-C 3.58Å; V161-G174 WeakPolarHBondContact O-CA 3.44Å |
| 175 | I | 85.3 | Confident | 82.1 | Confident | 31 Ų | 31 | 66.6 Ų | 66.6 | 16% | 0.159 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 127.4 | 178.8 | -59.2 | 172.4 | 0 | 0 | 0 | 108.4 | L2 L3 A160 V161 I163 Y210 | L2-I175 HydrophobicContact CB-CG2 4.44Å; L2-I175 HydrophobicContact CD2-CG2 3.95Å; L3-I175 WeakPolarHBondContact O-CA 3.18Å; A160-I175 CarbonylContact C-O 3.59Å; A160-I175 WeakPolarHBondContact CA-O 3.37Å; V161-I175 PolarHBondContact N-O 2.92Å; V161-I175 PolarHBondContact O-N 3.29Å; I163-I175 HydrophobicContact CD1-CD1 4.13Å; I163-I175 HydrophobicContact CD1-CG1 4.06Å; I163-I175 HydrophobicContact CG1-CG1 4.5Å; I175-Y210 HydrophobicContact CD1-CD2 4.27Å; I175-Y210 HydrophobicContact CD1-CE2 3.8Å; I175-Y210 HydrophobicContact CG1-CD2 4.34Å; I175-Y210 HydrophobicContact CG1-CE2 4.34Å |
| 176 | V | 84.3 | Confident | 82.5 | Confident | 5 Ų | 5 | 67.5 Ų | 67.5 | 3% | 0.03 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 123.5 | 176.1 | -176.4 | 0 | 0 | 0 | 0 | 109.8 | L2 L3 I5 F154 T157 A160 F178 | L2-V176 CarbonylContact C-O 3.6Å; L2-V176 WeakPolarHBondContact CA-O 3.44Å; L3-V176 PolarHBondContact N-O 3.06Å; L3-V176 PolarHBondContact O-N 3.36Å; I5-V176 HydrophobicContact CD1-CB 4.41Å; I5-V176 HydrophobicContact CD1-CG2 3.39Å; I5-V176 HydrophobicContact CG1-CG2 3.98Å; F154-V176 HydrophobicContact CD1-CG1 4.16Å; F154-V176 HydrophobicContact CE1-CG1 4.33Å; T157-V176 HydrophobicContact CG2-CG1 3.52Å; A160-V176 HydrophobicContact CB-CG2 4.12Å; V176-F178 HydrophobicContact CB-CE2 4.17Å; V176-F178 HydrophobicContact CG1-CD2 4.02Å; V176-F178 HydrophobicContact CG1-CE2 3.52Å; V176-F178 HydrophobicContact CG1-CZ 4.09Å |
| 177 | E | 81.7 | Confident | 82.7 | Confident | 11 Ų | 11 | 59.6 Ų | 59.6 | 5% | 0.051 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 117.6 | 179.5 | -171.8 | -179.5 | 162.4 | 0 | 0 | 109.6 | L2 R85 T157 L158 R159 | L2-E177 HydrophobicContact CD2-CB 3.53Å; L2-E177 HydrophobicContact CD2-CG 3.58Å; R85-E177 PolarHBondContact N-OE1 2.96Å; R85-E177 IonicContact NE-OE2 2.68Å; T157-E177 WeakPolarHBondContact CG2-O 3.1Å; L158-E177 HydrophobicContact CB-CG 4.32Å; L158-E177 WeakPolarHBondContact CB-O 3.15Å; L158-E177 HydrophobicContact CD1-CG 4.32Å; L158-E177 PolarHBondContact N-O 3.11Å; R159-E177 HydrophobicContact CB-CB 4.1Å; R159-E177 IonicContact CZ-OE2 3.25Å; R159-E177 PolarHBondContact N-O 3.39Å; R159-E177 IonicContact NE-OE2 2.92Å; R159-E177 PolarHBondContact NE-OE2 3.03Å; R159-E177 IonicContact NH2-OE2 3.93Å; R159-E177 PolarHBondContact O-N 2.95Å |
| 178 | F | 81.2 | Confident | 83.3 | Confident | 5 Ų | 5 | 54.4 Ų | 54.4 | 2% | 0.022 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 145.9 | 176.6 | -71.2 | -101.7 | 0 | 0 | 0 | 111.8 | M1 L3 F154 V176 R180 A184 A187 | M1-F178 PolarHBondContact N-O 3.35Å; M1-F178 PolarHBondContact O-N 3.21Å; L3-F178 HydrophobicContact CB-CE2 4.39Å; L3-F178 HydrophobicContact CD1-CD2 4.08Å; L3-F178 HydrophobicContact CD1-CE2 3.37Å; L3-F178 HydrophobicContact CD1-CZ 3.97Å; L3-F178 HydrophobicContact CG-CD2 4.19Å; L3-F178 HydrophobicContact CG-CE2 3.86Å; F154-F178 HydrophobicContact CD1-CE1 4.05Å; F154-F178 HydrophobicContact CD1-CE2 4.26Å; F154-F178 AromaticContact CD1-CZ 3.42Å; F154-F178 HydrophobicContact CD1-CZ 3.42Å; F154-F178 VanDerWaalsContact CD1-CZ 3.42Å; F154-F178 HydrophobicContact CE1-CE2 4.34Å; F154-F178 AromaticContact CE1-CZ 3.74Å; F154-F178 HydrophobicContact CE1-CZ 3.74Å; V176-F178 HydrophobicContact CB-CE2 4.17Å; V176-F178 HydrophobicContact CG1-CD2 4.02Å; V176-F178 HydrophobicContact CG1-CE2 3.52Å; V176-F178 HydrophobicContact CG1-CZ 4.09Å; F178-R180 PolarHBondContact O-N 2.88Å; F178-A184 HydrophobicContact CB-CB 3.86Å; F178-A184 HydrophobicContact CD1-CB 4.34Å; F178-A184 HydrophobicContact CD2-CB 3.71Å; F178-A184 HydrophobicContact CE2-CB 4.31Å; F178-A184 HydrophobicContact CG-CB 3.71Å; F178-A187 HydrophobicContact CE1-CB 3.81Å; F178-A187 HydrophobicContact CE2-CB 4.38Å; F178-A187 HydrophobicContact CZ-CB 3.42Å; F178-A187 VanDerWaalsContact CZ-CB 3.42Å |
| 179 | E | 76.9 | Confident | 84.1 | Confident | 86 Ų | 86 | 57.3 Ų | 57.3 | 40% | 0.402 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -60.3 | -44.1 | 176.7 | -169.3 | -171.2 | 143 | 0 | 0 | 112.1 | H156 L158 | H156-E179 HydrophobicContact CB-CB 4.35Å; H156-E179 WeakPolarHBondContact O-CB 3.47Å; H156-E179 PolarHBondContact O-N 3.12Å; L158-E179 HydrophobicContact CD1-CB 4.22Å; L158-E179 HydrophobicContact CD2-CB 4.04Å; L158-E179 HydrophobicContact CD2-CG 4.15Å; L158-E179 HydrophobicContact CG-CB 3.87Å; L158-E179 HydrophobicContact CG-CG 4.42Å |
| 180 | R | 81.1 | Confident | 84.7 | Confident | 173 Ų | 173 | 56.1 Ų | 56.1 | 65% | 0.653 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -127.8 | 149.4 | -175.2 | -56.6 | -176.5 | -176.8 | -172.2 | -2.5 | 111.4 | F178 A184 | F178-R180 PolarHBondContact O-N 2.88Å; R180-A184 PolarHBondContact O-N 2.92Å |
| 181 | K | 86.3 | Confident | 85.2 | Confident | 134 Ų | 134 | 54.7 Ų | 54.7 | 58% | 0.583 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61.8 | -42.5 | 179.4 | -174.8 | 178.4 | 178.7 | -179.9 | 0 | 113.8 | M1 G183 A184 Q185 | M1-K181 HydrophobicContact SD-CG 4.07Å; K181-G183 VanDerWaalsContact C-N 3.34Å; K181-G183 PolarHBondContact O-N 3.13Å; K181-A184 PolarHBondContact O-N 3.04Å; K181-Q185 HydrophobicContact CG-CG 4.37Å; K181-Q185 PolarHBondContact O-N 3.32Å |
| 182 | P | 87.4 | Confident | 85.7 | Confident | 95 Ų | 95 | 55.8 Ų | 55.8 | 62% | 0.617 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -60.6 | -40.2 | -179.9 | -25.6 | 36 | 0 | 0 | 0 | 113.4 | A184 Q185 E186 | P182-A184 PolarHBondContact O-N 3.36Å; P182-Q185 PolarHBondContact O-N 2.96Å; P182-E186 PolarHBondContact O-N 2.92Å |
| 183 | G | 85.4 | Confident | 86.1 | Confident | 32 Ų | 32 | 65.5 Ų | 65.5 | 33% | 0.33 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K181 E186 A187 | K181-G183 VanDerWaalsContact C-N 3.34Å; K181-G183 PolarHBondContact O-N 3.13Å; G183-E186 PolarHBondContact O-N 2.89Å; G183-A187 WeakPolarHBondContact O-CB 3.22Å; G183-A187 PolarHBondContact O-N 2.92Å |
| 184 | A | 86.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | M1 L3 F178 R180 K181 P182 A187 L188 | M1-A184 HydrophobicContact CB-CB 3.71Å; M1-A184 HydrophobicContact CG-CB 3.86Å; M1-A184 HydrophobicContact SD-CB 3.67Å; L3-A184 HydrophobicContact CD1-CB 4.27Å; L3-A184 WeakPolarHBondContact CD1-O 3.47Å; L3-A184 HydrophobicContact CD2-CB 4.47Å; L3-A184 HydrophobicContact CG-CB 4.34Å; F178-A184 HydrophobicContact CB-CB 3.86Å; F178-A184 HydrophobicContact CD1-CB 4.34Å; F178-A184 HydrophobicContact CD2-CB 3.71Å; F178-A184 HydrophobicContact CE2-CB 4.31Å; F178-A184 HydrophobicContact CG-CB 3.71Å; R180-A184 PolarHBondContact O-N 2.92Å; K181-A184 PolarHBondContact O-N 3.04Å; P182-A184 PolarHBondContact O-N 3.36Å; A184-A187 PolarHBondContact O-N 3.31Å; A184-L188 WeakPolarHBondContact O-CB 3.45Å; A184-L188 PolarHBondContact O-N 3.48Å |
| 185 | Q | 89.9 | Confident | 86.6 | Confident | 85 Ų | 85 | 69.2 Ų | 69.2 | 40% | 0.397 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.9 | -37 | 179 | -72.6 | -174.1 | -53.8 | 0 | 0 | 112.2 | M1 K181 P182 K189 | M1-Q185 HydrophobicContact SD-CG 4.29Å; K181-Q185 HydrophobicContact CG-CG 4.37Å; K181-Q185 PolarHBondContact O-N 3.32Å; P182-Q185 PolarHBondContact O-N 2.96Å; Q185-K189 VanDerWaalsContact O-CG 3.32Å; Q185-K189 WeakPolarHBondContact O-CG 3.4Å; Q185-K189 PolarHBondContact O-N 3Å |
| 186 | E | 87.7 | Confident | 86.5 | Confident | 73 Ų | 73 | 68.7 Ų | 68.7 | 34% | 0.341 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68.1 | -42.6 | 175.4 | -172.3 | 59.6 | -163.3 | 0 | 0 | 111.4 | P182 G183 K189 R190 | P182-E186 PolarHBondContact O-N 2.92Å; G183-E186 PolarHBondContact O-N 2.89Å; E186-K189 PolarHBondContact O-N 3.44Å; E186-R190 VanDerWaalsContact CG-CZ 3.4Å; E186-R190 WeakPolarHBondContact O-CB 3.19Å; E186-R190 WeakPolarHBondContact O-CG 3.46Å; E186-R190 PolarHBondContact O-N 3.35Å; E186-R190 IonicContact OE1-CZ 3.31Å; E186-R190 IonicContact OE1-NE 2.73Å; E186-R190 PolarHBondContact OE1-NE 2.89Å; E186-R190 IonicContact OE1-NH2 3.29Å; E186-R190 PolarHBondContact OE1-NH2 2.82Å |
| 187 | A | 87.1 | Confident | 86.4 | Confident | 2 Ų | 2 | 72.6 Ų | 72.6 | 2% | 0.017 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.1 | -49.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L3 I153 F154 F178 G183 A184 K189 R190 V191 | L3-A187 HydrophobicContact CD1-CB 4.3Å; I153-A187 HydrophobicContact CG2-CB 4.26Å; F154-A187 HydrophobicContact CE1-CB 4.4Å; F178-A187 HydrophobicContact CE1-CB 3.81Å; F178-A187 HydrophobicContact CE2-CB 4.38Å; F178-A187 HydrophobicContact CZ-CB 3.42Å; F178-A187 VanDerWaalsContact CZ-CB 3.42Å; G183-A187 WeakPolarHBondContact O-CB 3.22Å; G183-A187 PolarHBondContact O-N 2.92Å; A184-A187 PolarHBondContact O-N 3.31Å; A187-K189 VanDerWaalsContact C-N 3.32Å; A187-K189 PolarHBondContact O-N 3.45Å; A187-R190 PolarHBondContact O-N 3.02Å; A187-V191 WeakPolarHBondContact O-CB 3.47Å; A187-V191 WeakPolarHBondContact O-CG2 3.33Å; A187-V191 PolarHBondContact O-N 3.16Å |
| 188 | L | 90.5 | Very high | 86.1 | Confident | 34 Ų | 34 | 74.6 Ų | 74.6 | 18% | 0.178 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -54.7 | -46.3 | 176.9 | -178.7 | 66.7 | 0 | 0 | 0 | 111.9 | L3 A184 N192 C207 | L3-L188 HydrophobicContact CD1-CB 4.3Å; L3-L188 HydrophobicContact CD2-CB 4.45Å; A184-L188 WeakPolarHBondContact O-CB 3.45Å; A184-L188 PolarHBondContact O-N 3.48Å; L188-N192 WeakPolarHBondContact O-CB 3.31Å; L188-N192 PolarHBondContact O-N 2.99Å; L188-N192 VanDerWaalsContact O-N 3.16Å; L188-C207 HydrophobicContact CD1-CB 4.04Å; L188-C207 WeakPolarHBondContact CD1-O 3.45Å |
| 189 | K | 90.8 | Very high | 85.7 | Confident | 107 Ų | 107 | 76.3 Ų | 76.3 | 47% | 0.465 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.7 | -45.2 | 178.2 | -73.9 | 176.3 | -175.5 | 178.6 | 0 | 112.3 | Q185 E186 A187 R193 | Q185-K189 VanDerWaalsContact O-CG 3.32Å; Q185-K189 WeakPolarHBondContact O-CG 3.4Å; Q185-K189 PolarHBondContact O-N 3Å; E186-K189 PolarHBondContact O-N 3.44Å; A187-K189 VanDerWaalsContact C-N 3.32Å; A187-K189 PolarHBondContact O-N 3.45Å; K189-R193 WeakPolarHBondContact O-CB 3.36Å; K189-R193 WeakPolarHBondContact O-CG 3.48Å; K189-R193 PolarHBondContact O-N 2.93Å |
| 190 | R | 89.1 | Confident | 85.7 | Confident | 124 Ų | 124 | 75.4 Ų | 75.4 | 47% | 0.468 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.7 | -42 | -178.4 | -74.4 | -176 | -172.8 | 154.8 | 4.1 | 112.2 | I153 E186 A187 G194 | I153-R190 HydrophobicContact CG2-CB 4.28Å; E186-R190 VanDerWaalsContact CG-CZ 3.4Å; E186-R190 WeakPolarHBondContact O-CB 3.19Å; E186-R190 WeakPolarHBondContact O-CG 3.46Å; E186-R190 PolarHBondContact O-N 3.35Å; E186-R190 IonicContact OE1-CZ 3.31Å; E186-R190 IonicContact OE1-NE 2.73Å; E186-R190 PolarHBondContact OE1-NE 2.89Å; E186-R190 IonicContact OE1-NH2 3.29Å; E186-R190 PolarHBondContact OE1-NH2 2.82Å; A187-R190 PolarHBondContact O-N 3.02Å; R190-G194 PolarHBondContact O-N 3.33Å |
| 191 | V | 88.2 | Confident | 85.5 | Confident | 3 Ų | 3 | 68.3 Ų | 68.3 | 2% | 0.018 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 179.6 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | I153 F154 A187 M196 V205 C207 | I153-V191 HydrophobicContact CG2-CG2 4.37Å; F154-V191 HydrophobicContact CZ-CG2 4.28Å; A187-V191 WeakPolarHBondContact O-CB 3.47Å; A187-V191 WeakPolarHBondContact O-CG2 3.33Å; A187-V191 PolarHBondContact O-N 3.16Å; V191-M196 HydrophobicContact CG1-CB 4.26Å; V191-M196 HydrophobicContact CG2-SD 3.63Å; V191-V205 HydrophobicContact CG1-CG2 4.01Å; V191-C207 HydrophobicContact CB-CB 3.85Å; V191-C207 HydrophobicContact CG1-CB 3.57Å; V191-C207 HydrophobicContact CG2-CB 4.5Å |
| 192 | N | 89.9 | Confident | 85.3 | Confident | 89 Ų | 89 | 63.7 Ų | 63.7 | 48% | 0.476 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -82.5 | -21.8 | -178.6 | -68.2 | -11 | 0 | 0 | 0 | 113.8 | L188 C207 | L188-N192 WeakPolarHBondContact O-CB 3.31Å; L188-N192 PolarHBondContact O-N 2.99Å; L188-N192 VanDerWaalsContact O-N 3.16Å; N192-C207 PolarHBondContact ND2-O 3.21Å; N192-C207 PolarHBondContact OD1-N 3.15Å; N192-C207 PolarHBondContact OD1-O 3.01Å |
| 193 | R | 91.5 | Very high | 85.2 | Confident | 211 Ų | 211 | 62.1 Ų | 62.1 | 80% | 0.796 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -84.4 | -33.3 | 173.9 | -73.1 | 174.9 | 178.2 | -171 | -3.7 | 112.9 | K189 | K189-R193 WeakPolarHBondContact O-CB 3.36Å; K189-R193 WeakPolarHBondContact O-CG 3.48Å; K189-R193 PolarHBondContact O-N 2.93Å |
| 194 | G | 88.2 | Confident | 85.3 | Confident | 42 Ų | 42 | 63.6 Ų | 63.6 | 43% | 0.433 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 178.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R190 | R190-G194 PolarHBondContact O-N 3.33Š|
| 195 | V | 88.9 | Confident | 85.4 | Confident | 112 Ų | 112 | 64 Ų | 64 | 68% | 0.679 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | 87.9 | 171.8 | -177.6 | 0 | 0 | 0 | 0 | 107.4 | L197 P204 | V195-L197 HydrophobicContact CG1-CD2 3.86Å; V195-L197 HydrophobicContact CG1-CG 4.28Å; V195-L197 PolarHBondContact O-N 2.9Å; V195-P204 HydrophobicContact CG1-CB 3.81Å; V195-P204 HydrophobicContact CG1-CG 4.27Å |
| 196 | M | 83.2 | Confident | 85.4 | Confident | 19 Ų | 19 | 62.5 Ų | 62.5 | 9% | 0.094 | 34% | 0.344 | C | S | . | . | trans | -80.6 | 112.2 | 179 | -173.9 | 170.7 | -162.2 | 0 | 0 | 110.8 | S151 I153 F154 V191 L198 P204 V205 | S151-M196 VanDerWaalsContact OG-CE 3.27Å; S151-M196 WeakPolarHBondContact OG-CE 3.43Å; I153-M196 HydrophobicContact CD1-CE 4.22Å; I153-M196 HydrophobicContact CD1-SD 4.36Å; F154-M196 HydrophobicContact CD2-CE 3.78Å; F154-M196 HydrophobicContact CD2-SD 4.5Å; F154-M196 HydrophobicContact CE2-CE 3.33Å; F154-M196 HydrophobicContact CE2-SD 3.57Å; F154-M196 VanDerWaalsContact CE2-SD 3.57Å; F154-M196 HydrophobicContact CZ-CE 4.41Å; F154-M196 HydrophobicContact CZ-SD 4.12Å; V191-M196 HydrophobicContact CG1-CB 4.26Å; V191-M196 HydrophobicContact CG2-SD 3.63Å; M196-L198 HydrophobicContact CE-CD2 3.88Å; M196-L198 HydrophobicContact CG-CD2 4.42Å; M196-L198 HydrophobicContact SD-CD2 4.42Å; M196-P204 WeakPolarHBondContact O-CA 3.3Å; M196-V205 HydrophobicContact CB-CG2 3.94Å; M196-V205 HydrophobicContact CG-CG2 4.03Å; M196-V205 PolarHBondContact O-N 3.5Å; M196-V205 HydrophobicContact SD-CG2 4.3Å | ||
| 197 | L | 82.9 | Confident | 85.6 | Confident | 87 Ų | 87 | 59.1 Ų | 59.1 | 46% | 0.455 | 33% | 0.329 | S | S | . | . | B | Isolated β-bridge | trans | -100.3 | 121.2 | 176.2 | -55.5 | -177.8 | 0 | 0 | 0 | 110.2 | V195 G202 P204 | V195-L197 HydrophobicContact CG1-CD2 3.86Å; V195-L197 HydrophobicContact CG1-CG 4.28Å; V195-L197 PolarHBondContact O-N 2.9Å; L197-G202 WeakPolarHBondContact CD2-O 3.25Å; L197-P204 HydrophobicContact CD2-CB 4.31Å |
| 198 | L | 76.3 | Confident | 85.9 | Confident | 54 Ų | 54 | 63.3 Ų | 63.3 | 28% | 0.283 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -89 | -21 | 174.6 | -63.3 | -172.9 | 0 | 0 | 0 | 113.1 | F148 M196 V205 | F148-L198 HydrophobicContact CE1-CD1 4.24Å; F148-L198 HydrophobicContact CE1-CD2 4.06Å; F148-L198 HydrophobicContact CZ-CD1 4.42Å; M196-L198 HydrophobicContact CE-CD2 3.88Å; M196-L198 HydrophobicContact CG-CD2 4.42Å; M196-L198 HydrophobicContact SD-CD2 4.42Å; L198-V205 HydrophobicContact CB-CG1 4.42Å; L198-V205 HydrophobicContact CD1-CG1 3.59Å; L198-V205 HydrophobicContact CG-CG1 3.64Å; L198-V205 HydrophobicContact CG-CG2 4.31Å |
| 199 | C | 72.2 | Confident | 86 | Confident | 41 Ų | 41 | 65.1 Ų | 65.1 | 28% | 0.277 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -140.5 | 161.4 | -173.6 | -60.8 | 0 | 0 | 0 | 0 | 110.7 | L11 S201 | L11-C199 WeakPolarHBondContact CD2-SG 3.35Å; C199-S201 PolarHBondContact O-N 3.1Å |
| 200 | G | 76.1 | Confident | 85.9 | Confident | 67 Ų | 67 | 63.9 Ų | 63.9 | 69% | 0.691 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 12.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | G202 | G200-G202 VanDerWaalsContact C-N 3.29Š|
| 201 | S | 77.9 | Confident | 85.7 | Confident | 24 Ų | 24 | 65.2 Ų | 65.2 | 17% | 0.168 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -4.8 | 177.3 | 60.7 | 0 | 0 | 0 | 0 | 113.4 | C199 R203 M283 | C199-S201 PolarHBondContact O-N 3.1Å; S201-R203 PolarHBondContact O-N 3.04Å; S201-M283 WeakPolarHBondContact O-CE 3.39Å |
| 202 | G | 81.1 | Confident | 85.4 | Confident | 36 Ų | 36 | 70 Ų | 70 | 37% | 0.371 | 40% | 0.397 | S | S | . | . | trans | 69.6 | -1.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L197 G200 P204 | L197-G202 WeakPolarHBondContact CD2-O 3.25Å; G200-G202 VanDerWaalsContact C-N 3.29Å; G202-P204 WeakPolarHBondContact O-CD 3.29Å | ||
| 203 | R | 85.3 | Confident | 85.1 | Confident | 62 Ų | 62 | 74 Ų | 74 | 23% | 0.234 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -86.2 | 122.2 | -179.6 | -61.8 | -168.2 | -158.6 | 173.2 | 11.9 | 111.7 | S201 E280 | S201-R203 PolarHBondContact O-N 3.04Å; R203-E280 VanDerWaalsContact CZ-CG 3.49Å; R203-E280 IonicContact CZ-OE1 3.24Å; R203-E280 IonicContact CZ-OE2 3.51Å; R203-E280 IonicContact NE-OE1 3.41Å; R203-E280 PolarHBondContact NE-OE1 2.76Å; R203-E280 IonicContact NH1-OE1 3.83Å; R203-E280 PolarHBondContact NH1-OE1 3.43Å; R203-E280 IonicContact NH1-OE2 2.64Å; R203-E280 IonicContact NH2-OE1 3.58Å; R203-E280 PolarHBondContact NH2-OE1 3.13Å; R203-E280 IonicContact NH2-OE2 3.23Å; R203-E280 PolarHBondContact NH2-OE2 2Å |
| 204 | P | 88.5 | Confident | 84.6 | Confident | 63 Ų | 63 | 68.5 Ų | 68.5 | 41% | 0.409 | 40% | 0.397 | S | S | . | . | B | Isolated β-bridge | trans | -71.7 | 148 | 174.4 | 27.8 | -31.5 | 0 | 0 | 0 | 111.8 | V195 M196 L197 G202 | V195-P204 HydrophobicContact CG1-CB 3.81Å; V195-P204 HydrophobicContact CG1-CG 4.27Å; M196-P204 WeakPolarHBondContact O-CA 3.3Å; L197-P204 HydrophobicContact CD2-CB 4.31Å; G202-P204 WeakPolarHBondContact O-CD 3.29Å |
| 205 | V | 88.4 | Confident | 84.2 | Confident | 8 Ų | 8 | 74.8 Ų | 74.8 | 5% | 0.048 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -85.9 | 147 | 169.8 | -62.4 | 0 | 0 | 0 | 0 | 110.9 | I5 C8 V191 M196 L198 | I5-V205 HydrophobicContact CG2-CB 3.81Å; I5-V205 HydrophobicContact CG2-CG1 4.21Å; I5-V205 HydrophobicContact CG2-CG2 4.31Å; C8-V205 WeakPolarHBondContact SG-CG1 3.44Å; V191-V205 HydrophobicContact CG1-CG2 4.01Å; M196-V205 HydrophobicContact CB-CG2 3.94Å; M196-V205 HydrophobicContact CG-CG2 4.03Å; M196-V205 PolarHBondContact O-N 3.5Å; M196-V205 HydrophobicContact SD-CG2 4.3Å; L198-V205 HydrophobicContact CB-CG1 4.42Å; L198-V205 HydrophobicContact CD1-CG1 3.59Å; L198-V205 HydrophobicContact CG-CG1 3.64Å; L198-V205 HydrophobicContact CG-CG2 4.31Å |
| 206 | V | 90.3 | Very high | 83.7 | Confident | 55 Ų | 55 | 76.6 Ų | 76.6 | 33% | 0.333 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 137.5 | 174.6 | 178.7 | 0 | 0 | 0 | 0 | 108.5 | I5 S6 R7 E208 | I5-V206 CarbonylContact C-O 3.57Å; I5-V206 WeakPolarHBondContact CA-O 3.46Å; S6-V206 PolarHBondContact N-O 2.94Å; S6-V206 PolarHBondContact O-N 2.67Å; S6-V206 VanDerWaalsContact O-N 3.1Å; R7-V206 HydrophobicContact CG-CG2 4.17Å; V206-E208 HydrophobicContact CG1-CG 4.43Å |
| 207 | C | 91.8 | Very high | 83.6 | Confident | 1 Ų | 1 | 80.7 Ų | 80.7 | 1% | 0.007 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 129.8 | 179.5 | -171 | 0 | 0 | 0 | 0 | 111.1 | L3 K4 L188 V191 N192 | L3-C207 VanDerWaalsContact CD1-SG 3.56Å; K4-C207 WeakPolarHBondContact O-CA 3.48Å; L188-C207 HydrophobicContact CD1-CB 4.04Å; L188-C207 WeakPolarHBondContact CD1-O 3.45Å; V191-C207 HydrophobicContact CB-CB 3.85Å; V191-C207 HydrophobicContact CG1-CB 3.57Å; V191-C207 HydrophobicContact CG2-CB 4.5Å; N192-C207 PolarHBondContact ND2-O 3.21Å; N192-C207 PolarHBondContact OD1-N 3.15Å; N192-C207 PolarHBondContact OD1-O 3.01Å |
| 208 | E | 92.5 | Very high | 83.7 | Confident | 90 Ų | 90 | 78.3 Ų | 78.3 | 42% | 0.421 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 148.8 | 179.6 | -69.1 | 171 | 176.9 | 0 | 0 | 109.6 | L3 K4 V206 Y210 | L3-E208 CarbonylContact C-O 3.53Å; L3-E208 WeakPolarHBondContact CA-O 3.48Å; K4-E208 PolarHBondContact N-O 3.14Å; K4-E208 PolarHBondContact O-N 2.6Å; V206-E208 HydrophobicContact CG1-CG 4.43Å; E208-Y210 PolarHBondContact O-N 2.96Å |
| 209 | P | 92.3 | Very high | 84.2 | Confident | 73 Ų | 73 | 82 Ų | 82 | 47% | 0.474 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 130.4 | 168.5 | 27.5 | -32.8 | 0 | 0 | 0 | 109.4 | M1 | M1-P209 HydrophobicContact CE-CB 4.17Å |
| 210 | Y | 89.1 | Confident | 84.7 | Confident | 80 Ų | 80 | 85.5 Ų | 85.5 | 31% | 0.314 | 46% | 0.461 | S | S | . | . | trans | -83.9 | 120.5 | 176.7 | 177.7 | -97.4 | 0 | 0 | 0 | 110 | L2 K4 I175 E208 P212 | L2-Y210 HydrophobicContact CB-CD1 3.72Å; L2-Y210 HydrophobicContact CB-CG 4.1Å; L2-Y210 HydrophobicContact CD1-CD1 3.57Å; L2-Y210 HydrophobicContact CD1-CE1 3.89Å; L2-Y210 HydrophobicContact CG-CD1 4.28Å; L2-Y210 PolarHBondContact O-N 3.33Å; K4-Y210 HydrophobicContact CB-CD2 4.25Å; I175-Y210 HydrophobicContact CD1-CD2 4.27Å; I175-Y210 HydrophobicContact CD1-CE2 3.8Å; I175-Y210 HydrophobicContact CG1-CD2 4.34Å; I175-Y210 HydrophobicContact CG1-CE2 4.34Å; E208-Y210 PolarHBondContact O-N 2.96Å; Y210-P212 HydrophobicContact CE1-CB 4.14Å; Y210-P212 WeakPolarHBondContact O-CD 3.49Å | ||
| 211 | E | 86.3 | Confident | 85.3 | Confident | 153 Ų | 153 | 86.4 Ų | 86.4 | 72% | 0.715 | 45% | 0.448 | S | S | * | . | trans | -89.5 | 110.5 | 172.1 | -66.4 | -175 | 170.9 | 0 | 0 | 109.4 | K213 | E211-K213 PolarHBondContact O-N 3.14Š| ||
| 212 | P | 81.9 | Confident | 85.9 | Confident | 103 Ų | 103 | 93.7 Ų | 93.7 | 67% | 0.669 | 47% | 0.472 | S | S | * | . | trans | -66.8 | 120.1 | 175.5 | 28.3 | -32.2 | 0 | 0 | 0 | 108.9 | Y210 | Y210-P212 HydrophobicContact CE1-CB 4.14Å; Y210-P212 WeakPolarHBondContact O-CD 3.49Å | ||
| 213 | K | 82.2 | Confident | 86.2 | Confident | 172 Ų | 172 | 97.4 Ų | 97.4 | 75% | 0.748 | 48% | 0.481 | S | S | * | . | trans | -87.4 | 131.2 | 168.9 | -64 | -177.8 | -179.9 | -178.1 | 0 | 107.9 | E211 E215 | E211-K213 PolarHBondContact O-N 3.14Å; K213-E215 PolarHBondContact O-N 3.38Å | ||
| 214 | D | 80.7 | Confident | 86.4 | Confident | 96 Ų | 96 | 96.5 Ų | 96.5 | 51% | 0.513 | 48% | 0.48 | S | S | . | . | trans | -79.6 | 110.9 | 173.5 | 176.3 | 23.4 | 0 | 0 | 0 | 109.2 | E216 D217 G218 | D214-E216 PolarHBondContact OD1-N 2.87Å; D214-D217 PolarHBondContact OD1-N 3.38Å; D214-D217 WeakPolarHBondContact OD2-CB 3.45Å; D214-G218 PolarHBondContact OD2-N 3.48Å | ||
| 215 | E | 81 | Confident | 86.5 | Confident | 174 Ų | 174 | 100.2 Ų | 100.2 | 81% | 0.813 | 50% | 0.495 | S | S | * | . | trans | -104.1 | -7.2 | 177.1 | -64.3 | 179.3 | -178.1 | 0 | 0 | 112 | K213 | K213-E215 PolarHBondContact O-N 3.38Š| ||
| 216 | E | 76.7 | Confident | 86.5 | Confident | 151 Ų | 151 | 108.7 Ų | 108.7 | 71% | 0.706 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -98.9 | -53.2 | -173.4 | -68.1 | -173.2 | 179.8 | 0 | 0 | 112 | D214 | D214-E216 PolarHBondContact OD1-N 2.87Š|
| 217 | D | 82.1 | Confident | 86.6 | Confident | 105 Ų | 105 | 110.3 Ų | 110.3 | 56% | 0.561 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -87.8 | -48.1 | -178.1 | -68.1 | -41 | 0 | 0 | 0 | 110.4 | D214 W220 | D214-D217 PolarHBondContact OD1-N 3.38Å; D214-D217 WeakPolarHBondContact OD2-CB 3.45Å; D217-W220 PolarHBondContact O-NE1 3.46Å |
| 218 | G | 85.3 | Confident | 86.6 | Confident | 36 Ų | 36 | 114.4 Ų | 114.4 | 37% | 0.371 | 57% | 0.567 | S | S | . | * | trans | 64.6 | -162.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D214 W220 | D214-G218 PolarHBondContact OD2-N 3.48Å; G218-W220 PolarHBondContact O-N 3.39Å | ||
| 219 | L | 86.8 | Confident | 86.6 | Confident | 133 Ų | 133 | 111.9 Ų | 111.9 | 70% | 0.696 | 56% | 0.561 | S | S | * | * | trans | -96.1 | 99.5 | -178.3 | -173.2 | 65.5 | 0 | 0 | 0 | 111.7 | M223 I224 | L219-M223 HydrophobicContact CD1-CB 4.2Å; L219-I224 HydrophobicContact CD2-CG1 4.1Å; L219-I224 HydrophobicContact CG-CG1 4.06Å | ||
| 220 | W | 83.1 | Confident | 86.5 | Confident | 113 Ų | 113 | 110.7 Ų | 110.7 | 43% | 0.428 | 55% | 0.548 | S | S | . | . | trans | -74.7 | 146.6 | 179.1 | -66.8 | 29.8 | 0 | 0 | 0 | 111.1 | D217 G218 R222 M223 I224 | D217-W220 PolarHBondContact O-NE1 3.46Å; G218-W220 PolarHBondContact O-N 3.39Å; W220-R222 HydrophobicContact CB-CG 4.13Å; W220-R222 VanDerWaalsContact CE3-NE 3.26Å; W220-R222 VanDerWaalsContact CZ3-CZ 3.44Å; W220-R222 PolarHBondContact O-N 3.49Å; W220-R222 VanDerWaalsContact O-N 3.07Å; W220-M223 HydrophobicContact CB-CG 4.38Å; W220-M223 WeakPolarHBondContact O-CA 3.48Å; W220-M223 WeakPolarHBondContact O-CB 3.5Å; W220-M223 PolarHBondContact O-N 3.47Å; W220-I224 PolarHBondContact O-N 3.03Å | ||
| 221 | E | 87.4 | Confident | 86.5 | Confident | 87 Ų | 87 | 108.8 Ų | 108.8 | 41% | 0.407 | 55% | 0.552 | S | S | . | * | G | 310 helix | trans | -49.7 | -39.2 | 179.3 | -174.7 | 70.2 | 177.3 | 0 | 0 | 113.6 | M223 I224 Y230 R234 | E221-M223 VanDerWaalsContact C-N 3.27Å; E221-M223 PolarHBondContact O-N 2.7Å; E221-I224 PolarHBondContact O-N 3.23Å; E221-I224 WeakPolarHBondContact OE2-CD1 3.5Å; E221-Y230 PolarHBondContact OE1-OH 2.96Å; E221-R234 IonicContact OE1-CZ 2.7Å; E221-R234 VanDerWaalsContact OE1-CZ 3.25Å; E221-R234 IonicContact OE1-NH1 3.49Å; E221-R234 PolarHBondContact OE1-NH1 2.96Å; E221-R234 IonicContact OE1-NH2 2.94Å; E221-R234 PolarHBondContact OE1-NH2 3.45Å; E221-R234 IonicContact OE2-CZ 3.4Å; E221-R234 IonicContact OE2-NH1 3.25Å; E221-R234 PolarHBondContact OE2-NH1 3.3Å; E221-R234 IonicContact OE2-NH2 2.76Å; E221-R234 PolarHBondContact OE2-NH2 3.07Å |
| 222 | R | 90.8 | Very high | 86.9 | Confident | 177 Ų | 177 | 109.5 Ų | 109.5 | 67% | 0.668 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -68.7 | -21.2 | 178.6 | 65.4 | -177.7 | 174.1 | 178 | 0.7 | 114.3 | W220 | W220-R222 HydrophobicContact CB-CG 4.13Å; W220-R222 VanDerWaalsContact CE3-NE 3.26Å; W220-R222 VanDerWaalsContact CZ3-CZ 3.44Å; W220-R222 PolarHBondContact O-N 3.49Å; W220-R222 VanDerWaalsContact O-N 3.07Å |
| 223 | M | 87.4 | Confident | 87.3 | Confident | 114 Ų | 114 | 111.7 Ų | 111.7 | 56% | 0.562 | 55% | 0.55 | S | S | * | . | G | 310 helix | trans | -91.5 | -8.8 | 179.2 | -63.3 | -177.4 | 178.5 | 0 | 0 | 112.4 | L219 W220 E221 I225 | L219-M223 HydrophobicContact CD1-CB 4.2Å; W220-M223 HydrophobicContact CB-CG 4.38Å; W220-M223 WeakPolarHBondContact O-CA 3.48Å; W220-M223 WeakPolarHBondContact O-CB 3.5Å; W220-M223 PolarHBondContact O-N 3.47Å; E221-M223 VanDerWaalsContact C-N 3.27Å; E221-M223 PolarHBondContact O-N 2.7Å; M223-I225 PolarHBondContact O-N 3.46Å |
| 224 | I | 89.1 | Confident | 87.7 | Confident | 42 Ų | 42 | 109.4 Ų | 109.4 | 22% | 0.215 | 54% | 0.536 | C | S | . | . | S | Bend | trans | -72.6 | 128.7 | 179.9 | -55.7 | 177 | 0 | 0 | 0 | 110 | L219 W220 E221 R226 Y230 | L219-I224 HydrophobicContact CD2-CG1 4.1Å; L219-I224 HydrophobicContact CG-CG1 4.06Å; W220-I224 PolarHBondContact O-N 3.03Å; E221-I224 PolarHBondContact O-N 3.23Å; E221-I224 WeakPolarHBondContact OE2-CD1 3.5Å; I224-R226 PolarHBondContact O-N 3.38Å; I224-Y230 HydrophobicContact CB-CE2 4.26Å; I224-Y230 HydrophobicContact CD1-CE2 4.31Å; I224-Y230 HydrophobicContact CG2-CD2 3.52Å; I224-Y230 HydrophobicContact CG2-CE2 3.64Å |
| 225 | I | 90.4 | Very high | 88.2 | Confident | 141 Ų | 141 | 112.2 Ų | 112.2 | 72% | 0.723 | 55% | 0.546 | S | S | * | . | trans | -69.3 | 114 | 174.8 | -60.2 | 171.1 | 0 | 0 | 0 | 108.9 | M223 N227 | M223-I225 PolarHBondContact O-N 3.46Å; I225-N227 PolarHBondContact O-N 2.86Å | ||
| 226 | R | 89.9 | Confident | 88.6 | Confident | 186 Ų | 186 | 108 Ų | 108 | 70% | 0.702 | 53% | 0.532 | S | S | * | . | trans | -80.9 | 81.7 | 179.8 | -61.1 | -179.5 | -177.2 | -177.1 | -0.5 | 110.7 | I224 Y230 | I224-R226 PolarHBondContact O-N 3.38Å; R226-Y230 HydrophobicContact CB-CD1 4.32Å; R226-Y230 HydrophobicContact CG-CD1 4.23Å; R226-Y230 HydrophobicContact CG-CE1 4.14Å | ||
| 227 | N | 91.7 | Very high | 89.4 | Confident | 90 Ų | 90 | 107.5 Ų | 107.5 | 48% | 0.481 | 53% | 0.534 | S | S | . | . | trans | -95.8 | 176.1 | 171.8 | 65.6 | 16.5 | 0 | 0 | 0 | 111.5 | I225 A229 Y230 G231 | I225-N227 PolarHBondContact O-N 2.86Å; N227-A229 PolarHBondContact O-N 2.86Å; N227-A229 WeakPolarHBondContact OD1-CB 3.47Å; N227-A229 PolarHBondContact OD1-N 2.88Å; N227-Y230 WeakPolarHBondContact O-CB 3.39Å; N227-Y230 PolarHBondContact O-N 3.22Å; N227-Y230 WeakPolarHBondContact OD1-CB 3.39Å; N227-Y230 PolarHBondContact OD1-N 2.88Å; N227-G231 PolarHBondContact O-N 3.36Å | ||
| 228 | A | 92 | Very high | 90.1 | Very high | 86 Ų | 86 | 108.9 Ų | 108.9 | 71% | 0.711 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.2 | -32.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G231 R232 | A228-G231 PolarHBondContact O-N 3.35Å; A228-R232 WeakPolarHBondContact O-CG 3.44Å; A228-R232 PolarHBondContact O-N 2.77Å; A228-R232 VanDerWaalsContact O-N 3.14Å |
| 229 | A | 91.4 | Very high | 90.5 | Very high | 37 Ų | 37 | 112.1 Ų | 112.1 | 31% | 0.306 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.9 | -44 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N227 G231 R232 E233 | N227-A229 PolarHBondContact O-N 2.86Å; N227-A229 WeakPolarHBondContact OD1-CB 3.47Å; N227-A229 PolarHBondContact OD1-N 2.88Å; A229-G231 PolarHBondContact O-N 3.25Å; A229-R232 PolarHBondContact O-N 3.16Å; A229-E233 WeakPolarHBondContact O-CG 3.43Å; A229-E233 PolarHBondContact O-N 3.15Å |
| 230 | Y | 91.4 | Very high | 91 | Very high | 49 Ų | 49 | 115.5 Ų | 115.5 | 19% | 0.192 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -53.9 | -42.2 | 174.3 | 172.2 | -87.6 | 0 | 0 | 0 | 112.1 | E221 I224 R226 N227 R234 | E221-Y230 PolarHBondContact OE1-OH 2.96Å; I224-Y230 HydrophobicContact CB-CE2 4.26Å; I224-Y230 HydrophobicContact CD1-CE2 4.31Å; I224-Y230 HydrophobicContact CG2-CD2 3.52Å; I224-Y230 HydrophobicContact CG2-CE2 3.64Å; R226-Y230 HydrophobicContact CB-CD1 4.32Å; R226-Y230 HydrophobicContact CG-CD1 4.23Å; R226-Y230 HydrophobicContact CG-CE1 4.14Å; N227-Y230 WeakPolarHBondContact O-CB 3.39Å; N227-Y230 PolarHBondContact O-N 3.22Å; N227-Y230 WeakPolarHBondContact OD1-CB 3.39Å; N227-Y230 PolarHBondContact OD1-N 2.88Å; Y230-R234 PolarHBondContact OH-NE 3.06Å; Y230-R234 PolarHBondContact OH-NH1 2.92Å |
| 231 | G | 89.7 | Confident | 91.6 | Very high | 40 Ų | 40 | 111.5 Ų | 111.5 | 41% | 0.412 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66 | -38.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | N227 A228 A229 Q235 | N227-G231 PolarHBondContact O-N 3.36Å; A228-G231 PolarHBondContact O-N 3.35Å; A229-G231 PolarHBondContact O-N 3.25Å; G231-Q235 WeakPolarHBondContact O-CG 3.4Å |
| 232 | R | 93.1 | Very high | 92 | Very high | 167 Ų | 167 | 110.7 Ų | 110.7 | 63% | 0.63 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -70 | -47.9 | 179.5 | -70.7 | -170.8 | -57.7 | 178.9 | 4 | 112.7 | A228 A229 R234 Q235 | A228-R232 WeakPolarHBondContact O-CG 3.44Å; A228-R232 PolarHBondContact O-N 2.77Å; A228-R232 VanDerWaalsContact O-N 3.14Å; A229-R232 PolarHBondContact O-N 3.16Å; R232-R234 PolarHBondContact O-N 3.01Å; R232-Q235 WeakPolarHBondContact O-CG 3.46Å; R232-Q235 PolarHBondContact O-N 3.38Å |
| 233 | E | 90.7 | Very high | 92.3 | Very high | 149 Ų | 149 | 107.4 Ų | 107.4 | 70% | 0.696 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.5 | -25.3 | -177.4 | -65.9 | -62.9 | 144.5 | 0 | 0 | 112.7 | A229 | A229-E233 WeakPolarHBondContact O-CG 3.43Å; A229-E233 PolarHBondContact O-N 3.15Å |
| 234 | R | 91.4 | Very high | 92.6 | Very high | 124 Ų | 124 | 105.4 Ų | 105.4 | 47% | 0.468 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.3 | 3.5 | -178.4 | -68.5 | -170.7 | 171.8 | -137.5 | 7.8 | 115.1 | E221 Y230 R232 V236 | E221-R234 IonicContact OE1-CZ 2.7Å; E221-R234 VanDerWaalsContact OE1-CZ 3.25Å; E221-R234 IonicContact OE1-NH1 3.49Å; E221-R234 PolarHBondContact OE1-NH1 2.96Å; E221-R234 IonicContact OE1-NH2 2.94Å; E221-R234 PolarHBondContact OE1-NH2 3.45Å; E221-R234 IonicContact OE2-CZ 3.4Å; E221-R234 IonicContact OE2-NH1 3.25Å; E221-R234 PolarHBondContact OE2-NH1 3.3Å; E221-R234 IonicContact OE2-NH2 2.76Å; E221-R234 PolarHBondContact OE2-NH2 3.07Å; Y230-R234 PolarHBondContact OH-NE 3.06Å; Y230-R234 PolarHBondContact OH-NH1 2.92Å; R232-R234 PolarHBondContact O-N 3.01Å; R234-V236 PolarHBondContact O-N 3.23Å |
| 235 | Q | 91.1 | Very high | 93 | Very high | 155 Ų | 155 | 105.7 Ų | 105.7 | 72% | 0.724 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -65.3 | -29.4 | 173.6 | -65.9 | 179.8 | 6.6 | 0 | 0 | 111.5 | G231 R232 | G231-Q235 WeakPolarHBondContact O-CG 3.4Å; R232-Q235 WeakPolarHBondContact O-CG 3.46Å; R232-Q235 PolarHBondContact O-N 3.38Å |
| 236 | V | 89.9 | Confident | 93.2 | Very high | 85 Ų | 85 | 106 Ų | 106 | 52% | 0.515 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -107.4 | 125.2 | 180 | -178 | 0 | 0 | 0 | 0 | 108.9 | R234 H239 | R234-V236 PolarHBondContact O-N 3.23Å; V236-H239 WeakPolarHBondContact CG1-CE1 3.33Å; V236-H239 WeakPolarHBondContact CG1-ND1 3.36Å |
| 237 | L | 92.7 | Very high | 93.5 | Very high | 141 Ų | 141 | 102 Ų | 102 | 74% | 0.738 | 56% | 0.556 | S | S | * | * | trans | -74.9 | 158.9 | 175.2 | -68.2 | 174.7 | 0 | 0 | 0 | 110.8 | H239 | L237-H239 PolarHBondContact O-N 3.46Å; L237-H239 VanDerWaalsContact O-N 3.13Å; L237-H239 PolarHBondContact O-ND1 3.44Å | ||
| 238 | P | 96.2 | Very high | 93.8 | Very high | 135 Ų | 135 | 100.7 Ų | 100.7 | 88% | 0.877 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -53.5 | 120.1 | 172.3 | -25.2 | 34.7 | 0 | 0 | 0 | 111.2 | ||
| 239 | H | 94.1 | Very high | 94.1 | Very high | 103 Ų | 103 | 100.6 Ų | 100.6 | 48% | 0.477 | 53% | 0.534 | S | S | . | . | trans | -150.2 | 164.5 | -177.8 | 74 | -75.2 | 0 | 0 | 0 | 111.1 | V236 L237 E247 | V236-H239 WeakPolarHBondContact CG1-CE1 3.33Å; V236-H239 WeakPolarHBondContact CG1-ND1 3.36Å; L237-H239 PolarHBondContact O-N 3.46Å; L237-H239 VanDerWaalsContact O-N 3.13Å; L237-H239 PolarHBondContact O-ND1 3.44Å; H239-E247 IonicContact CE1-OE2 3.36Å; H239-E247 PolarHBondContact CE1-OE2 2.86Å; H239-E247 IonicContact NE2-OE2 3.46Å; H239-E247 PolarHBondContact NE2-OE2 3.23Å | ||
| 240 | F | 96.7 | Very high | 94.4 | Very high | 204 Ų | 204 | 102.8 Ų | 102.8 | 90% | 0.895 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -91.3 | 125.4 | 169.6 | -70.3 | -78.3 | 0 | 0 | 0 | 109.5 | P242 | F240-P242 WeakPolarHBondContact O-CD 3.18Š|
| 241 | A | 96.1 | Very high | 94.7 | Very high | 29 Ų | 29 | 102 Ų | 102 | 24% | 0.24 | 54% | 0.543 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 124.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110.5 | E247 F248 | A241-E247 HydrophobicContact CB-CB 4.08Å; A241-F248 HydrophobicContact CB-CB 3.92Å; A241-F248 HydrophobicContact CB-CD2 4.38Å; A241-F248 VanDerWaalsContact O-CD2 3.3Å; A241-F248 WeakPolarHBondContact O-CD2 3.28Å |
| 242 | P | 95.7 | Very high | 95 | Very high | 70 Ų | 70 | 103.3 Ų | 103.3 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 143.5 | 177 | -20.9 | 32.3 | 0 | 0 | 0 | 112.1 | F240 G244 T245 F248 | F240-P242 WeakPolarHBondContact O-CD 3.18Å; P242-G244 PolarHBondContact O-N 2.89Å; P242-T245 HydrophobicContact CB-CG2 4Å; P242-T245 HydrophobicContact CG-CG2 4.22Å; P242-T245 WeakPolarHBondContact O-CB 3.2Å; P242-T245 WeakPolarHBondContact O-CG2 3Å; P242-T245 PolarHBondContact O-N 2.97Å; P242-T245 PolarHBondContact O-OG1 2.89Å; P242-F248 VanDerWaalsContact O-CB 3.27Å; P242-F248 WeakPolarHBondContact O-CB 3.41Å |
| 243 | P | 96.6 | Very high | 95.3 | Very high | 109 Ų | 109 | 102.7 Ų | 102.7 | 71% | 0.708 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 137 | 174.2 | -24.4 | 34.2 | 0 | 0 | 0 | 112 | F248 | P243-F248 HydrophobicContact CG-CE2 4.44Š|
| 244 | G | 95.2 | Very high | 95.6 | Very high | 71 Ų | 71 | 102.2 Ų | 102.2 | 73% | 0.732 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | 0.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | P242 | P242-G244 PolarHBondContact O-N 2.89Š|
| 245 | T | 96.6 | Very high | 95.9 | Very high | 48 Ų | 48 | 102.7 Ų | 102.7 | 29% | 0.294 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -87.6 | 152.5 | 171.2 | 62.1 | 0 | 0 | 0 | 0 | 111.8 | P242 E247 F248 D249 | P242-T245 HydrophobicContact CB-CG2 4Å; P242-T245 HydrophobicContact CG-CG2 4.22Å; P242-T245 WeakPolarHBondContact O-CB 3.2Å; P242-T245 WeakPolarHBondContact O-CG2 3Å; P242-T245 PolarHBondContact O-N 2.97Å; P242-T245 PolarHBondContact O-OG1 2.89Å; T245-E247 PolarHBondContact O-N 2.74Å; T245-F248 WeakPolarHBondContact O-CB 3.44Å; T245-F248 PolarHBondContact O-N 3Å; T245-F248 VanDerWaalsContact O-N 3.09Å; T245-F248 WeakPolarHBondContact OG1-CB 3.38Å; T245-F248 PolarHBondContact OG1-N 3.29Å; T245-D249 PolarHBondContact O-N 2.75Å; T245-D249 VanDerWaalsContact O-N 3.09Å |
| 246 | F | 96 | Very high | 96.2 | Very high | 148 Ų | 148 | 101.3 Ų | 101.3 | 65% | 0.649 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -54 | -41 | 173.6 | 174.5 | -90.7 | 0 | 0 | 0 | 112.2 | F248 D249 F250 | F246-F248 VanDerWaalsContact C-N 3.35Å; F246-F248 PolarHBondContact O-N 2.76Å; F246-D249 PolarHBondContact O-N 3.48Å; F246-F250 HydrophobicContact CD1-CD2 4.21Å; F246-F250 AromaticContact CD2-CD2 3.93Å; F246-F250 HydrophobicContact CD2-CD2 3.93Å; F246-F250 AromaticContact CD2-CE2 3.83Å; F246-F250 HydrophobicContact CD2-CE2 3.83Å; F246-F250 AromaticContact CE1-CD2 3.83Å; F246-F250 HydrophobicContact CE1-CD2 3.83Å; F246-F250 HydrophobicContact CE1-CE2 4.14Å; F246-F250 HydrophobicContact CE1-CG 4.41Å; F246-F250 AromaticContact CE2-CD2 3.55Å; F246-F250 HydrophobicContact CE2-CD2 3.55Å; F246-F250 AromaticContact CE2-CE2 3.13Å; F246-F250 HydrophobicContact CE2-CE2 3.13Å; F246-F250 HydrophobicContact CE2-CZ 4.02Å; F246-F250 HydrophobicContact CG-CD2 4.26Å; F246-F250 AromaticContact CZ-CD2 3.48Å; F246-F250 HydrophobicContact CZ-CD2 3.48Å; F246-F250 VanDerWaalsContact CZ-CD2 3.48Å; F246-F250 AromaticContact CZ-CE2 3.31Å; F246-F250 HydrophobicContact CZ-CE2 3.31Å; F246-F250 HydrophobicContact CZ-CG 4.28Å; F246-F250 AromaticContact CZ-CZ 3.96Å; F246-F250 HydrophobicContact CZ-CZ 3.96Å; F246-F250 PolarHBondContact O-N 3.05Å |
| 247 | E | 95.9 | Very high | 96.6 | Very high | 102 Ų | 102 | 101.9 Ų | 101.9 | 48% | 0.477 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.6 | -38.6 | 178.5 | -63.3 | -177.2 | -177 | 0 | 0 | 112.1 | H239 A241 T245 G251 | H239-E247 IonicContact CE1-OE2 3.36Å; H239-E247 PolarHBondContact CE1-OE2 2.86Å; H239-E247 IonicContact NE2-OE2 3.46Å; H239-E247 PolarHBondContact NE2-OE2 3.23Å; A241-E247 HydrophobicContact CB-CB 4.08Å; T245-E247 PolarHBondContact O-N 2.74Å; E247-G251 WeakPolarHBondContact O-CA 3.33Å; E247-G251 PolarHBondContact O-N 2.87Å |
| 248 | F | 97.8 | Very high | 96.8 | Very high | 63 Ų | 63 | 101.3 Ų | 101.3 | 28% | 0.276 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.6 | -45.5 | 175.5 | -176.4 | -92.4 | 0 | 0 | 0 | 111.3 | A241 P242 P243 T245 F246 F250 G251 Q252 | A241-F248 HydrophobicContact CB-CB 3.92Å; A241-F248 HydrophobicContact CB-CD2 4.38Å; A241-F248 VanDerWaalsContact O-CD2 3.3Å; A241-F248 WeakPolarHBondContact O-CD2 3.28Å; P242-F248 VanDerWaalsContact O-CB 3.27Å; P242-F248 WeakPolarHBondContact O-CB 3.41Å; P243-F248 HydrophobicContact CG-CE2 4.44Å; T245-F248 WeakPolarHBondContact O-CB 3.44Å; T245-F248 PolarHBondContact O-N 3Å; T245-F248 VanDerWaalsContact O-N 3.09Å; T245-F248 WeakPolarHBondContact OG1-CB 3.38Å; T245-F248 PolarHBondContact OG1-N 3.29Å; F246-F248 VanDerWaalsContact C-N 3.35Å; F246-F248 PolarHBondContact O-N 2.76Å; F248-F250 PolarHBondContact O-N 2.83Å; F248-G251 PolarHBondContact O-N 3.47Å; F248-Q252 HydrophobicContact CD1-CG 4.06Å; F248-Q252 HydrophobicContact CE1-CG 3.74Å; F248-Q252 HydrophobicContact CZ-CG 4.04Å; F248-Q252 VanDerWaalsContact CZ-NE2 3.31Å; F248-Q252 VanDerWaalsContact O-CG 3.31Å; F248-Q252 WeakPolarHBondContact O-CG 3.48Å; F248-Q252 PolarHBondContact O-N 2.78Å |
| 249 | D | 97.6 | Very high | 96.9 | Very high | 83 Ų | 83 | 99.1 Ų | 99.1 | 44% | 0.444 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.5 | -45.6 | -179.5 | -71.1 | -13.1 | 0 | 0 | 0 | 112 | T245 F246 Q252 R253 | T245-D249 PolarHBondContact O-N 2.75Å; T245-D249 VanDerWaalsContact O-N 3.09Å; F246-D249 PolarHBondContact O-N 3.48Å; D249-Q252 PolarHBondContact O-N 2.76Å; D249-R253 WeakPolarHBondContact O-CG 3.11Å; D249-R253 PolarHBondContact O-N 2.82Å; D249-R253 VanDerWaalsContact O-N 3.16Å |
| 250 | F | 97.8 | Very high | 97.1 | Very high | 84 Ų | 84 | 97.2 Ų | 97.2 | 37% | 0.368 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.6 | -38.9 | 174.9 | -87.3 | -93 | 0 | 0 | 0 | 112 | F246 F248 Q252 R253 W254 | F246-F250 HydrophobicContact CD1-CD2 4.21Å; F246-F250 AromaticContact CD2-CD2 3.93Å; F246-F250 HydrophobicContact CD2-CD2 3.93Å; F246-F250 AromaticContact CD2-CE2 3.83Å; F246-F250 HydrophobicContact CD2-CE2 3.83Å; F246-F250 AromaticContact CE1-CD2 3.83Å; F246-F250 HydrophobicContact CE1-CD2 3.83Å; F246-F250 HydrophobicContact CE1-CE2 4.14Å; F246-F250 HydrophobicContact CE1-CG 4.41Å; F246-F250 AromaticContact CE2-CD2 3.55Å; F246-F250 HydrophobicContact CE2-CD2 3.55Å; F246-F250 AromaticContact CE2-CE2 3.13Å; F246-F250 HydrophobicContact CE2-CE2 3.13Å; F246-F250 HydrophobicContact CE2-CZ 4.02Å; F246-F250 HydrophobicContact CG-CD2 4.26Å; F246-F250 AromaticContact CZ-CD2 3.48Å; F246-F250 HydrophobicContact CZ-CD2 3.48Å; F246-F250 VanDerWaalsContact CZ-CD2 3.48Å; F246-F250 AromaticContact CZ-CE2 3.31Å; F246-F250 HydrophobicContact CZ-CE2 3.31Å; F246-F250 HydrophobicContact CZ-CG 4.28Å; F246-F250 AromaticContact CZ-CZ 3.96Å; F246-F250 HydrophobicContact CZ-CZ 3.96Å; F246-F250 PolarHBondContact O-N 3.05Å; F248-F250 PolarHBondContact O-N 2.83Å; F250-Q252 VanDerWaalsContact C-N 3.26Å; F250-Q252 PolarHBondContact O-N 3.02Å; F250-R253 PolarHBondContact O-N 2.83Å; F250-R253 VanDerWaalsContact O-N 3.12Å; F250-W254 PolarHBondContact O-N 2.96Å |
| 251 | G | 97.2 | Very high | 97.1 | Very high | 31 Ų | 31 | 91.3 Ų | 91.3 | 32% | 0.32 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -57.8 | -38.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E247 F248 W254 K255 | E247-G251 WeakPolarHBondContact O-CA 3.33Å; E247-G251 PolarHBondContact O-N 2.87Å; F248-G251 PolarHBondContact O-N 3.47Å; G251-W254 PolarHBondContact O-N 2.67Å; G251-K255 WeakPolarHBondContact O-CG 3.2Å; G251-K255 PolarHBondContact O-N 2.72Å |
| 252 | Q | 97.4 | Very high | 97.2 | Very high | 69 Ų | 69 | 95.1 Ų | 95.1 | 32% | 0.322 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.8 | -42.3 | 173.5 | -71.4 | -64.1 | -20.1 | 0 | 0 | 112.1 | F248 D249 F250 W254 K255 Q256 | F248-Q252 HydrophobicContact CD1-CG 4.06Å; F248-Q252 HydrophobicContact CE1-CG 3.74Å; F248-Q252 HydrophobicContact CZ-CG 4.04Å; F248-Q252 VanDerWaalsContact CZ-NE2 3.31Å; F248-Q252 VanDerWaalsContact O-CG 3.31Å; F248-Q252 WeakPolarHBondContact O-CG 3.48Å; F248-Q252 PolarHBondContact O-N 2.78Å; D249-Q252 PolarHBondContact O-N 2.76Å; F250-Q252 VanDerWaalsContact C-N 3.26Å; F250-Q252 PolarHBondContact O-N 3.02Å; Q252-W254 VanDerWaalsContact C-N 3.34Å; Q252-W254 PolarHBondContact O-N 2.84Å; Q252-K255 WeakPolarHBondContact O-CB 3.44Å; Q252-K255 PolarHBondContact O-N 3.34Å; Q252-Q256 WeakPolarHBondContact O-CG 3.44Å; Q252-Q256 PolarHBondContact O-N 2.76Å |
| 253 | R | 97.8 | Very high | 97.3 | Very high | 153 Ų | 153 | 96.8 Ų | 96.8 | 58% | 0.577 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.4 | -39.6 | 174.5 | -67.5 | 177 | -172.5 | -172.3 | 2.3 | 112.3 | D249 F250 Q256 L257 | D249-R253 WeakPolarHBondContact O-CG 3.11Å; D249-R253 PolarHBondContact O-N 2.82Å; D249-R253 VanDerWaalsContact O-N 3.16Å; F250-R253 PolarHBondContact O-N 2.83Å; F250-R253 VanDerWaalsContact O-N 3.12Å; R253-Q256 WeakPolarHBondContact O-CB 3.26Å; R253-Q256 PolarHBondContact O-N 2.92Å; R253-L257 PolarHBondContact O-N 3.31Å |
| 254 | W | 98.2 | Very high | 97.3 | Very high | 139 Ų | 139 | 98.7 Ų | 98.7 | 53% | 0.527 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.4 | -43 | 172.8 | -83.9 | 104.8 | 0 | 0 | 0 | 112 | F250 G251 Q252 Q256 L257 Y258 | F250-W254 PolarHBondContact O-N 2.96Å; G251-W254 PolarHBondContact O-N 2.67Å; Q252-W254 VanDerWaalsContact C-N 3.34Å; Q252-W254 PolarHBondContact O-N 2.84Å; W254-Q256 VanDerWaalsContact C-N 3.35Å; W254-Q256 PolarHBondContact O-N 3.32Å; W254-L257 HydrophobicContact CE3-CD2 4.15Å; W254-L257 HydrophobicContact CZ3-CD2 4.14Å; W254-L257 WeakPolarHBondContact O-CB 3.38Å; W254-L257 PolarHBondContact O-N 3.47Å; W254-L257 VanDerWaalsContact O-N 3.17Å; W254-Y258 HydrophobicContact CB-CE2 4.4Å; W254-Y258 HydrophobicContact CE3-CE1 4.01Å; W254-Y258 AromaticContact CE3-CZ 3.86Å; W254-Y258 HydrophobicContact CZ3-CE1 4.41Å; W254-Y258 WeakPolarHBondContact O-CD2 3.47Å; W254-Y258 PolarHBondContact O-N 3.24Å |
| 255 | K | 97.7 | Very high | 97.4 | Very high | 134 Ų | 134 | 102.9 Ų | 102.9 | 58% | 0.583 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.7 | -42.4 | 173.7 | -75.4 | -179.5 | 177.2 | -177.4 | 0 | 112.3 | G251 Q252 L257 Y258 E259 | G251-K255 WeakPolarHBondContact O-CG 3.2Å; G251-K255 PolarHBondContact O-N 2.72Å; Q252-K255 WeakPolarHBondContact O-CB 3.44Å; Q252-K255 PolarHBondContact O-N 3.34Å; K255-L257 VanDerWaalsContact C-N 3.3Å; K255-L257 PolarHBondContact O-N 3.47Å; K255-Y258 PolarHBondContact O-N 2.98Å; K255-E259 PolarHBondContact O-N 3.41Å |
| 256 | Q | 97.5 | Very high | 97.4 | Very high | 126 Ų | 126 | 104.9 Ų | 104.9 | 59% | 0.589 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -60.4 | -40.7 | 174.2 | -70.2 | 169.7 | 5.9 | 0 | 0 | 111.4 | Q252 R253 W254 E259 V260 | Q252-Q256 WeakPolarHBondContact O-CG 3.44Å; Q252-Q256 PolarHBondContact O-N 2.76Å; R253-Q256 WeakPolarHBondContact O-CB 3.26Å; R253-Q256 PolarHBondContact O-N 2.92Å; W254-Q256 VanDerWaalsContact C-N 3.35Å; W254-Q256 PolarHBondContact O-N 3.32Å; Q256-E259 PolarHBondContact O-N 3.43Å; Q256-V260 WeakPolarHBondContact O-CG2 3.38Å; Q256-V260 PolarHBondContact O-N 3.36Å |
| 257 | L | 97.8 | Very high | 97.5 | Very high | 97 Ų | 97 | 102.4 Ų | 102.4 | 51% | 0.508 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 176.2 | -176.9 | 63.8 | 0 | 0 | 0 | 112.2 | R253 W254 K255 E259 V260 E261 | R253-L257 PolarHBondContact O-N 3.31Å; W254-L257 HydrophobicContact CE3-CD2 4.15Å; W254-L257 HydrophobicContact CZ3-CD2 4.14Å; W254-L257 WeakPolarHBondContact O-CB 3.38Å; W254-L257 PolarHBondContact O-N 3.47Å; W254-L257 VanDerWaalsContact O-N 3.17Å; K255-L257 VanDerWaalsContact C-N 3.3Å; K255-L257 PolarHBondContact O-N 3.47Å; L257-E259 VanDerWaalsContact C-N 3.3Å; L257-E259 PolarHBondContact O-N 2.95Å; L257-V260 PolarHBondContact O-N 2.99Å; L257-E261 WeakPolarHBondContact O-CB 3.4Å; L257-E261 PolarHBondContact O-N 2.91Å |
| 258 | Y | 97.7 | Very high | 97.5 | Very high | 129 Ų | 129 | 101.9 Ų | 101.9 | 51% | 0.506 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63 | -36.3 | 176.4 | -62.1 | -35.5 | 0 | 0 | 0 | 112.6 | W254 K255 E261 K262 | W254-Y258 HydrophobicContact CB-CE2 4.4Å; W254-Y258 HydrophobicContact CE3-CE1 4.01Å; W254-Y258 AromaticContact CE3-CZ 3.86Å; W254-Y258 HydrophobicContact CZ3-CE1 4.41Å; W254-Y258 WeakPolarHBondContact O-CD2 3.47Å; W254-Y258 PolarHBondContact O-N 3.24Å; K255-Y258 PolarHBondContact O-N 2.98Å; Y258-E261 PolarHBondContact O-N 3.39Å; Y258-K262 WeakPolarHBondContact O-CB 3.47Å; Y258-K262 PolarHBondContact O-N 3.41Å |
| 259 | E | 97.7 | Very high | 97.4 | Very high | 89 Ų | 89 | 104 Ų | 104 | 42% | 0.416 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.5 | -44 | 175.7 | -173.6 | 55.5 | -145.8 | 0 | 0 | 111.2 | K255 Q256 L257 E261 K262 Q263 | K255-E259 PolarHBondContact O-N 3.41Å; Q256-E259 PolarHBondContact O-N 3.43Å; L257-E259 VanDerWaalsContact C-N 3.3Å; L257-E259 PolarHBondContact O-N 2.95Å; E259-E261 VanDerWaalsContact C-N 3.33Å; E259-E261 PolarHBondContact O-N 3.32Å; E259-K262 PolarHBondContact O-N 3.01Å; E259-Q263 VanDerWaalsContact O-CG 3.29Å; E259-Q263 WeakPolarHBondContact O-CG 3.48Å; E259-Q263 PolarHBondContact O-N 3.4Å; E259-Q263 PolarHBondContact OE1-NE2 3.42Å; E259-Q263 VanDerWaalsContact OE1-NE2 3.09Å |
| 260 | V | 97.5 | Very high | 97.3 | Very high | 63 Ų | 63 | 105.7 Ų | 105.7 | 38% | 0.382 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62 | -41.1 | 173.8 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | Q256 L257 Q263 K264 | Q256-V260 WeakPolarHBondContact O-CG2 3.38Å; Q256-V260 PolarHBondContact O-N 3.36Å; L257-V260 PolarHBondContact O-N 2.99Å; V260-Q263 PolarHBondContact O-N 3.24Å; V260-K264 HydrophobicContact CG1-CD 4.23Å; V260-K264 WeakPolarHBondContact O-CB 3.42Å; V260-K264 WeakPolarHBondContact O-CG 3.4Å; V260-K264 PolarHBondContact O-N 2.79Å |
| 261 | E | 97.5 | Very high | 97.3 | Very high | 81 Ų | 81 | 106.4 Ų | 106.4 | 38% | 0.379 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 176.3 | -179.3 | 178 | -168.8 | 0 | 0 | 111.5 | L257 Y258 E259 K264 R265 | L257-E261 WeakPolarHBondContact O-CB 3.4Å; L257-E261 PolarHBondContact O-N 2.91Å; Y258-E261 PolarHBondContact O-N 3.39Å; E259-E261 VanDerWaalsContact C-N 3.33Å; E259-E261 PolarHBondContact O-N 3.32Å; E261-K264 PolarHBondContact O-N 3.24Å; E261-R265 WeakPolarHBondContact O-CG 3.08Å; E261-R265 PolarHBondContact O-N 2.84Å; E261-R265 IonicContact OE1-CZ 3.66Å; E261-R265 VanDerWaalsContact OE1-CZ 3.23Å; E261-R265 IonicContact OE1-NE 3.56Å; E261-R265 PolarHBondContact OE1-NE 2.86Å; E261-R265 IonicContact OE1-NH2 2.87Å; E261-R265 PolarHBondContact OE1-NH2 2.76Å |
| 262 | K | 97.7 | Very high | 97.1 | Very high | 108 Ų | 108 | 108.4 Ų | 108.4 | 47% | 0.47 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.9 | -49.2 | 176.7 | -178.7 | -176.5 | 170.5 | -167.8 | 0 | 111.2 | Y258 E259 K264 R265 E266 | Y258-K262 WeakPolarHBondContact O-CB 3.47Å; Y258-K262 PolarHBondContact O-N 3.41Å; E259-K262 PolarHBondContact O-N 3.01Å; K262-K264 VanDerWaalsContact C-N 3.35Å; K262-K264 PolarHBondContact O-N 2.73Å; K262-R265 PolarHBondContact O-N 2.86Å; K262-E266 WeakPolarHBondContact CE-OE1 3.4Å; K262-E266 WeakPolarHBondContact O-CG 2.97Å; K262-E266 PolarHBondContact O-N 3.37Å |
| 263 | Q | 97.4 | Very high | 96.9 | Very high | 105 Ų | 105 | 107.4 Ų | 107.4 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.1 | -43.9 | 178.3 | -72.4 | 173.1 | 9.4 | 0 | 0 | 112.2 | E259 V260 E266 Q267 | E259-Q263 VanDerWaalsContact O-CG 3.29Å; E259-Q263 WeakPolarHBondContact O-CG 3.48Å; E259-Q263 PolarHBondContact O-N 3.4Å; E259-Q263 PolarHBondContact OE1-NE2 3.42Å; E259-Q263 VanDerWaalsContact OE1-NE2 3.09Å; V260-Q263 PolarHBondContact O-N 3.24Å; Q263-E266 PolarHBondContact O-N 3Å; Q263-Q267 VanDerWaalsContact O-CB 3.28Å; Q263-Q267 WeakPolarHBondContact O-CB 3.35Å; Q263-Q267 PolarHBondContact O-N 2.7Å |
| 264 | K | 97.6 | Very high | 96.8 | Very high | 150 Ų | 150 | 106.3 Ų | 106.3 | 65% | 0.652 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.1 | -40.4 | 177.4 | -75.7 | -178.1 | 178.2 | -178 | 0 | 112.8 | V260 E261 K262 L268 | V260-K264 HydrophobicContact CG1-CD 4.23Å; V260-K264 WeakPolarHBondContact O-CB 3.42Å; V260-K264 WeakPolarHBondContact O-CG 3.4Å; V260-K264 PolarHBondContact O-N 2.79Å; E261-K264 PolarHBondContact O-N 3.24Å; K262-K264 VanDerWaalsContact C-N 3.35Å; K262-K264 PolarHBondContact O-N 2.73Å; K264-L268 WeakPolarHBondContact O-CB 3.43Å; K264-L268 PolarHBondContact O-N 2.86Å |
| 265 | R | 96.8 | Very high | 96.7 | Very high | 158 Ų | 158 | 102.6 Ų | 102.6 | 60% | 0.596 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.7 | -46.3 | 176.2 | -73 | 179.4 | -177.9 | -164.7 | 2.8 | 111.4 | E261 K262 Q267 L268 D269 | E261-R265 WeakPolarHBondContact O-CG 3.08Å; E261-R265 PolarHBondContact O-N 2.84Å; E261-R265 IonicContact OE1-CZ 3.66Å; E261-R265 VanDerWaalsContact OE1-CZ 3.23Å; E261-R265 IonicContact OE1-NE 3.56Å; E261-R265 PolarHBondContact OE1-NE 2.86Å; E261-R265 IonicContact OE1-NH2 2.87Å; E261-R265 PolarHBondContact OE1-NH2 2.76Å; K262-R265 PolarHBondContact O-N 2.86Å; R265-Q267 VanDerWaalsContact C-N 3.34Å; R265-Q267 PolarHBondContact O-N 3.22Å; R265-L268 PolarHBondContact O-N 3Å; R265-D269 WeakPolarHBondContact O-CB 3.29Å; R265-D269 PolarHBondContact O-N 2.64Å |
| 266 | E | 96.7 | Very high | 96.3 | Very high | 90 Ų | 90 | 101.1 Ų | 101.1 | 42% | 0.421 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 177.2 | -72.1 | 176.8 | -177.1 | 0 | 0 | 112.3 | K262 Q263 D269 K270 | K262-E266 WeakPolarHBondContact CE-OE1 3.4Å; K262-E266 WeakPolarHBondContact O-CG 2.97Å; K262-E266 PolarHBondContact O-N 3.37Å; Q263-E266 PolarHBondContact O-N 3Å; E266-D269 PolarHBondContact O-N 3.36Å; E266-K270 WeakPolarHBondContact O-CG 3.28Å; E266-K270 PolarHBondContact O-N 3.32Å |
| 267 | Q | 97.3 | Very high | 96 | Very high | 96 Ų | 96 | 100.2 Ų | 100.2 | 45% | 0.449 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.8 | -47.9 | 174.8 | -179 | 59.7 | 29.1 | 0 | 0 | 111.3 | Q263 R265 D269 K270 E271 | Q263-Q267 VanDerWaalsContact O-CB 3.28Å; Q263-Q267 WeakPolarHBondContact O-CB 3.35Å; Q263-Q267 PolarHBondContact O-N 2.7Å; R265-Q267 VanDerWaalsContact C-N 3.34Å; R265-Q267 PolarHBondContact O-N 3.22Å; Q267-D269 VanDerWaalsContact C-N 3.33Å; Q267-D269 PolarHBondContact O-N 2.91Å; Q267-K270 WeakPolarHBondContact O-CB 3.38Å; Q267-K270 PolarHBondContact O-N 3.4Å; Q267-E271 WeakPolarHBondContact CG-OE1 3.14Å; Q267-E271 PolarHBondContact NE2-OE1 3.43Å; Q267-E271 WeakPolarHBondContact O-CG 3.03Å; Q267-E271 PolarHBondContact O-N 2.88Å |
| 268 | L | 97.2 | Very high | 95.9 | Very high | 92 Ų | 92 | 98.3 Ų | 98.3 | 48% | 0.482 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.1 | -40.4 | 177.2 | -177.7 | 63.9 | 0 | 0 | 0 | 111.9 | K264 R265 K270 E271 L272 | K264-L268 WeakPolarHBondContact O-CB 3.43Å; K264-L268 PolarHBondContact O-N 2.86Å; R265-L268 PolarHBondContact O-N 3Å; L268-K270 VanDerWaalsContact C-N 3.32Å; L268-K270 PolarHBondContact O-N 3.45Å; L268-E271 PolarHBondContact O-N 2.94Å; L268-L272 HydrophobicContact CD1-CD1 4.33Å; L268-L272 HydrophobicContact CD1-CG 4.29Å; L268-L272 HydrophobicContact CG-CD1 4.04Å; L268-L272 HydrophobicContact CG-CG 4.41Å; L268-L272 WeakPolarHBondContact O-CB 3.46Å; L268-L272 VanDerWaalsContact O-CG 3.25Å; L268-L272 WeakPolarHBondContact O-CG 3.31Å; L268-L272 PolarHBondContact O-N 3.35Å |
| 269 | D | 95.1 | Very high | 95.7 | Very high | 107 Ų | 107 | 97.6 Ų | 97.6 | 57% | 0.572 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.4 | -37.8 | 177.1 | -79.1 | -26.9 | 0 | 0 | 0 | 112 | R265 E266 Q267 A273 | R265-D269 WeakPolarHBondContact O-CB 3.29Å; R265-D269 PolarHBondContact O-N 2.64Å; E266-D269 PolarHBondContact O-N 3.36Å; Q267-D269 VanDerWaalsContact C-N 3.33Å; Q267-D269 PolarHBondContact O-N 2.91Å; D269-A273 VanDerWaalsContact O-CB 3.29Å; D269-A273 WeakPolarHBondContact O-CB 3.23Å; D269-A273 PolarHBondContact O-N 2.92Å |
| 270 | K | 96.1 | Very high | 95.3 | Very high | 119 Ų | 119 | 96.1 Ų | 96.1 | 52% | 0.517 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.9 | -49.8 | 173.5 | -71.8 | 170.6 | -173 | 173.5 | 0 | 111.6 | E266 Q267 L268 L272 A273 E274 | E266-K270 WeakPolarHBondContact O-CG 3.28Å; E266-K270 PolarHBondContact O-N 3.32Å; Q267-K270 WeakPolarHBondContact O-CB 3.38Å; Q267-K270 PolarHBondContact O-N 3.4Å; L268-K270 VanDerWaalsContact C-N 3.32Å; L268-K270 PolarHBondContact O-N 3.45Å; K270-L272 VanDerWaalsContact C-N 3.31Å; K270-L272 PolarHBondContact O-N 3.09Å; K270-A273 WeakPolarHBondContact O-CB 3.46Å; K270-A273 PolarHBondContact O-N 2.68Å; K270-E274 WeakPolarHBondContact O-CG 3.41Å; K270-E274 PolarHBondContact O-N 3.11Å |
| 271 | E | 97.4 | Very high | 95 | Very high | 98 Ų | 98 | 97.7 Ų | 97.7 | 46% | 0.458 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57.8 | -43.8 | 178 | -72.3 | 171.5 | -166 | 0 | 0 | 111.6 | Q267 L268 A273 E274 A275 | Q267-E271 WeakPolarHBondContact CG-OE1 3.14Å; Q267-E271 PolarHBondContact NE2-OE1 3.43Å; Q267-E271 WeakPolarHBondContact O-CG 3.03Å; Q267-E271 PolarHBondContact O-N 2.88Å; L268-E271 PolarHBondContact O-N 2.94Å; E271-A273 VanDerWaalsContact C-N 3.35Å; E271-A273 PolarHBondContact O-N 3.47Å; E271-E274 PolarHBondContact O-N 3.28Å; E271-A275 WeakPolarHBondContact O-CB 2.79Å; E271-A275 PolarHBondContact O-N 3.04Å |
| 272 | L | 94.1 | Very high | 94.9 | Very high | 74 Ų | 74 | 99 Ų | 99 | 39% | 0.387 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68 | -32.7 | 176.3 | -69.5 | 175.4 | 0 | 0 | 0 | 112.8 | L268 K270 R276 | L268-L272 HydrophobicContact CD1-CD1 4.33Å; L268-L272 HydrophobicContact CD1-CG 4.29Å; L268-L272 HydrophobicContact CG-CD1 4.04Å; L268-L272 HydrophobicContact CG-CG 4.41Å; L268-L272 WeakPolarHBondContact O-CB 3.46Å; L268-L272 VanDerWaalsContact O-CG 3.25Å; L268-L272 WeakPolarHBondContact O-CG 3.31Å; L268-L272 PolarHBondContact O-N 3.35Å; K270-L272 VanDerWaalsContact C-N 3.31Å; K270-L272 PolarHBondContact O-N 3.09Å; L272-R276 WeakPolarHBondContact O-CB 3.22Å; L272-R276 WeakPolarHBondContact O-CD 3.4Å; L272-R276 WeakPolarHBondContact O-CG 3.08Å; L272-R276 PolarHBondContact O-N 3.44Å; L272-R276 VanDerWaalsContact O-N 3.14Å |
| 273 | A | 92.1 | Very high | 94.6 | Very high | 47 Ų | 47 | 96.8 Ų | 96.8 | 39% | 0.388 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.1 | -43.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D269 K270 E271 R276 M277 | D269-A273 VanDerWaalsContact O-CB 3.29Å; D269-A273 WeakPolarHBondContact O-CB 3.23Å; D269-A273 PolarHBondContact O-N 2.92Å; K270-A273 WeakPolarHBondContact O-CB 3.46Å; K270-A273 PolarHBondContact O-N 2.68Å; E271-A273 VanDerWaalsContact C-N 3.35Å; E271-A273 PolarHBondContact O-N 3.47Å; A273-R276 PolarHBondContact O-N 2.8Å; A273-M277 WeakPolarHBondContact O-CB 2.8Å; A273-M277 PolarHBondContact O-N 2.9Å |
| 274 | E | 95.3 | Very high | 94.2 | Very high | 131 Ų | 131 | 95 Ų | 95 | 61% | 0.612 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62.6 | -46.8 | 175.4 | -72.2 | 173.2 | -169.8 | 0 | 0 | 111.4 | K270 E271 R276 M277 S278 | K270-E274 WeakPolarHBondContact O-CG 3.41Å; K270-E274 PolarHBondContact O-N 3.11Å; E271-E274 PolarHBondContact O-N 3.28Å; E274-R276 VanDerWaalsContact C-N 3.32Å; E274-R276 PolarHBondContact O-N 2.81Å; E274-M277 PolarHBondContact O-N 3Å; E274-M277 VanDerWaalsContact O-N 3.14Å; E274-S278 PolarHBondContact O-N 2.76Å |
| 275 | A | 95.8 | Very high | 94.1 | Very high | 60 Ų | 60 | 92.2 Ų | 92.2 | 50% | 0.496 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60 | -40.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E271 S278 L279 | E271-A275 WeakPolarHBondContact O-CB 2.79Å; E271-A275 PolarHBondContact O-N 3.04Å; A275-S278 PolarHBondContact O-N 2.79Å; A275-L279 PolarHBondContact O-N 3.24Å; A275-L279 VanDerWaalsContact O-N 3.12Å |
| 276 | R | 90.7 | Very high | 93.9 | Very high | 103 Ų | 103 | 87.1 Ų | 87.1 | 39% | 0.389 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 173.9 | -76.5 | 171.2 | -175.9 | 154.3 | 11.5 | 111.7 | R7 L272 A273 E274 S278 L279 E280 | R7-R276 VanDerWaalsContact NH1-NH1 3.15Å; L272-R276 WeakPolarHBondContact O-CB 3.22Å; L272-R276 WeakPolarHBondContact O-CD 3.4Å; L272-R276 WeakPolarHBondContact O-CG 3.08Å; L272-R276 PolarHBondContact O-N 3.44Å; L272-R276 VanDerWaalsContact O-N 3.14Å; A273-R276 PolarHBondContact O-N 2.8Å; E274-R276 VanDerWaalsContact C-N 3.32Å; E274-R276 PolarHBondContact O-N 2.81Å; R276-S278 VanDerWaalsContact C-N 3.34Å; R276-L279 PolarHBondContact O-N 3.47Å; R276-E280 WeakPolarHBondContact O-CB 3.27Å; R276-E280 WeakPolarHBondContact O-CG 3.04Å; R276-E280 PolarHBondContact O-N 2.97Å |
| 277 | M | 90.2 | Very high | 93.6 | Very high | 108 Ų | 108 | 87.4 Ų | 87.4 | 53% | 0.532 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 179.3 | -165.1 | -175.1 | -45 | 0 | 0 | 111.7 | A273 E274 E280 N281 | A273-M277 WeakPolarHBondContact O-CB 2.8Å; A273-M277 PolarHBondContact O-N 2.9Å; E274-M277 PolarHBondContact O-N 3Å; E274-M277 VanDerWaalsContact O-N 3.14Å; M277-E280 PolarHBondContact O-N 2.8Å; M277-N281 VanDerWaalsContact O-CG 3.29Å; M277-N281 PolarHBondContact O-N 3.11Å; M277-N281 PolarHBondContact O-ND2 2.82Å |
| 278 | S | 95.4 | Very high | 93.4 | Very high | 56 Ų | 56 | 88 Ų | 88 | 39% | 0.392 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -58.4 | -51.1 | 173.7 | -166.9 | 0 | 0 | 0 | 0 | 111.4 | E274 A275 R276 E280 N281 E282 | E274-S278 PolarHBondContact O-N 2.76Å; A275-S278 PolarHBondContact O-N 2.79Å; R276-S278 VanDerWaalsContact C-N 3.34Å; S278-E280 VanDerWaalsContact C-N 3.28Å; S278-E280 PolarHBondContact O-N 2.98Å; S278-N281 PolarHBondContact O-N 2.87Å; S278-N281 VanDerWaalsContact O-N 3.13Å; S278-E282 WeakPolarHBondContact O-CG 3.06Å; S278-E282 PolarHBondContact O-N 2.73Å; S278-E282 PolarHBondContact OG-OE1 3.19Å |
| 279 | L | 93.3 | Very high | 93.2 | Very high | 115 Ų | 115 | 89.1 Ų | 89.1 | 60% | 0.602 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63.4 | -34.8 | -179.4 | -173.8 | 62.9 | 0 | 0 | 0 | 112.6 | A275 R276 M283 | A275-L279 PolarHBondContact O-N 3.24Å; A275-L279 VanDerWaalsContact O-N 3.12Å; R276-L279 PolarHBondContact O-N 3.47Å; L279-M283 VanDerWaalsContact O-CB 3.27Å; L279-M283 WeakPolarHBondContact O-CB 3.43Å; L279-M283 PolarHBondContact O-N 3.46Å |
| 280 | E | 89.5 | Confident | 93.1 | Very high | 57 Ų | 57 | 91.1 Ų | 91.1 | 27% | 0.266 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.4 | -41.2 | 174.9 | -70.6 | 164 | -167.6 | 0 | 0 | 112.3 | R203 R276 M277 S278 E284 | R203-E280 VanDerWaalsContact CZ-CG 3.49Å; R203-E280 IonicContact CZ-OE1 3.24Å; R203-E280 IonicContact CZ-OE2 3.51Å; R203-E280 IonicContact NE-OE1 3.41Å; R203-E280 PolarHBondContact NE-OE1 2.76Å; R203-E280 IonicContact NH1-OE1 3.83Å; R203-E280 PolarHBondContact NH1-OE1 3.43Å; R203-E280 IonicContact NH1-OE2 2.64Å; R203-E280 IonicContact NH2-OE1 3.58Å; R203-E280 PolarHBondContact NH2-OE1 3.13Å; R203-E280 IonicContact NH2-OE2 3.23Å; R203-E280 PolarHBondContact NH2-OE2 2Å; R276-E280 WeakPolarHBondContact O-CB 3.27Å; R276-E280 WeakPolarHBondContact O-CG 3.04Å; R276-E280 PolarHBondContact O-N 2.97Å; M277-E280 PolarHBondContact O-N 2.8Å; S278-E280 VanDerWaalsContact C-N 3.28Å; S278-E280 PolarHBondContact O-N 2.98Å; E280-E284 PolarHBondContact O-N 2.84Å |
| 281 | N | 92.9 | Very high | 92.9 | Very high | 96 Ų | 96 | 91 Ų | 91 | 51% | 0.513 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68.1 | -45.4 | 176.5 | -69.9 | -20.4 | 0 | 0 | 0 | 111 | M277 S278 M283 E284 I285 | M277-N281 VanDerWaalsContact O-CG 3.29Å; M277-N281 PolarHBondContact O-N 3.11Å; M277-N281 PolarHBondContact O-ND2 2.82Å; S278-N281 PolarHBondContact O-N 2.87Å; S278-N281 VanDerWaalsContact O-N 3.13Å; N281-M283 VanDerWaalsContact C-N 3.3Å; N281-M283 PolarHBondContact O-N 2.82Å; N281-E284 PolarHBondContact O-N 2.97Å; N281-I285 VanDerWaalsContact O-CG1 3.29Å; N281-I285 WeakPolarHBondContact O-CG1 3.38Å; N281-I285 PolarHBondContact O-N 2.87Å |
| 282 | E | 95.3 | Very high | 92.6 | Very high | 108 Ų | 108 | 87.4 Ų | 87.4 | 51% | 0.505 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -56.6 | -44.3 | 174.6 | -73.5 | 167.6 | -138.9 | 0 | 0 | 111.6 | S278 I285 A286 | S278-E282 WeakPolarHBondContact O-CG 3.06Å; S278-E282 PolarHBondContact O-N 2.73Å; S278-E282 PolarHBondContact OG-OE1 3.19Å; E282-I285 PolarHBondContact O-N 2.69Å; E282-A286 VanDerWaalsContact O-CB 3.32Å; E282-A286 WeakPolarHBondContact O-CB 3.35Å; E282-A286 PolarHBondContact O-N 2.72Å |
| 283 | M | 90.5 | Very high | 92.7 | Very high | 62 Ų | 62 | 88.7 Ų | 88.7 | 31% | 0.305 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | 177.1 | -178.3 | -161.4 | 66.8 | 0 | 0 | 112.4 | S201 L279 N281 A286 R287 | S201-M283 WeakPolarHBondContact O-CE 3.39Å; L279-M283 VanDerWaalsContact O-CB 3.27Å; L279-M283 WeakPolarHBondContact O-CB 3.43Å; L279-M283 PolarHBondContact O-N 3.46Å; N281-M283 VanDerWaalsContact C-N 3.3Å; N281-M283 PolarHBondContact O-N 2.82Å; M283-A286 PolarHBondContact O-N 3.24Å; M283-R287 VanDerWaalsContact O-CB 3.27Å; M283-R287 WeakPolarHBondContact O-CB 3.28Å; M283-R287 PolarHBondContact O-N 2.82Å |
| 284 | E | 89.8 | Confident | 92.5 | Very high | 67 Ų | 67 | 91.2 Ų | 91.2 | 31% | 0.313 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.7 | -40.7 | 178.9 | -164.1 | 64.1 | -155.2 | 0 | 0 | 111.3 | E280 N281 R287 E288 | E280-E284 PolarHBondContact O-N 2.84Å; N281-E284 PolarHBondContact O-N 2.97Å; E284-R287 WeakPolarHBondContact O-CB 3.32Å; E284-R287 PolarHBondContact O-N 2.98Å; E284-R287 IonicContact OE1-NH1 3.67Å; E284-R287 IonicContact OE2-NH1 3.91Å; E284-E288 WeakPolarHBondContact O-CG 3.34Å; E284-E288 PolarHBondContact O-N 2.91Å |
| 285 | I | 93.8 | Very high | 92.4 | Very high | 92 Ų | 92 | 89.7 Ų | 89.7 | 47% | 0.472 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -58.5 | -51.4 | 172.5 | -66.9 | 165.2 | 0 | 0 | 0 | 110.1 | N281 E282 R287 E288 E289 | N281-I285 VanDerWaalsContact O-CG1 3.29Å; N281-I285 WeakPolarHBondContact O-CG1 3.38Å; N281-I285 PolarHBondContact O-N 2.87Å; E282-I285 PolarHBondContact O-N 2.69Å; I285-R287 PolarHBondContact O-N 2.88Å; I285-E288 PolarHBondContact O-N 3.08Å; I285-E288 VanDerWaalsContact O-N 3.11Å; I285-E289 HydrophobicContact CG2-CG 4.42Å; I285-E289 WeakPolarHBondContact O-CG 3.36Å; I285-E289 PolarHBondContact O-N 3.4Å |
| 286 | A | 94 | Very high | 92.3 | Very high | 51 Ų | 51 | 92.7 Ų | 92.7 | 42% | 0.421 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.9 | -33.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E282 M283 Y290 | E282-A286 VanDerWaalsContact O-CB 3.32Å; E282-A286 WeakPolarHBondContact O-CB 3.35Å; E282-A286 PolarHBondContact O-N 2.72Å; M283-A286 PolarHBondContact O-N 3.24Å; A286-Y290 VanDerWaalsContact O-CB 3.31Å; A286-Y290 WeakPolarHBondContact O-CB 3.19Å; A286-Y290 PolarHBondContact O-N 3.48Å |
| 287 | R | 90.6 | Very high | 92.4 | Very high | 97 Ų | 97 | 90.4 Ų | 90.4 | 37% | 0.366 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.9 | -41.1 | 175.6 | -174.1 | -174.2 | -171.6 | -170.5 | 5.3 | 111.9 | M283 E284 I285 R291 | M283-R287 VanDerWaalsContact O-CB 3.27Å; M283-R287 WeakPolarHBondContact O-CB 3.28Å; M283-R287 PolarHBondContact O-N 2.82Å; E284-R287 WeakPolarHBondContact O-CB 3.32Å; E284-R287 PolarHBondContact O-N 2.98Å; E284-R287 IonicContact OE1-NH1 3.67Å; E284-R287 IonicContact OE2-NH1 3.91Å; I285-R287 PolarHBondContact O-N 2.88Å; R287-R291 WeakPolarHBondContact O-CB 3.48Å; R287-R291 VanDerWaalsContact O-CG 3.25Å; R287-R291 WeakPolarHBondContact O-CG 3.45Å; R287-R291 PolarHBondContact O-N 3.31Å |
| 288 | E | 91.4 | Very high | 92.5 | Very high | 107 Ų | 107 | 88.2 Ų | 88.2 | 50% | 0.5 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 174.7 | -71.3 | -179.1 | 173.4 | 0 | 0 | 111.5 | E284 I285 Y290 R291 A292 | E284-E288 WeakPolarHBondContact O-CG 3.34Å; E284-E288 PolarHBondContact O-N 2.91Å; I285-E288 PolarHBondContact O-N 3.08Å; I285-E288 VanDerWaalsContact O-N 3.11Å; E288-Y290 PolarHBondContact O-N 2.96Å; E288-R291 WeakPolarHBondContact O-CB 3.31Å; E288-R291 PolarHBondContact O-N 3.17Å; E288-A292 WeakPolarHBondContact O-CB 3.19Å; E288-A292 PolarHBondContact O-N 3.45Å |
| 289 | E | 93.8 | Very high | 92.3 | Very high | 116 Ų | 116 | 88.2 Ų | 88.2 | 54% | 0.542 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58.9 | -47.8 | 174.2 | -72.7 | 178.8 | 170.1 | 0 | 0 | 111.5 | I285 R291 A292 I293 | I285-E289 HydrophobicContact CG2-CG 4.42Å; I285-E289 WeakPolarHBondContact O-CG 3.36Å; I285-E289 PolarHBondContact O-N 3.4Å; E289-R291 VanDerWaalsContact C-N 3.34Å; E289-R291 PolarHBondContact O-N 2.96Å; E289-A292 PolarHBondContact O-N 3.47Å; E289-A292 VanDerWaalsContact O-N 3.16Å; E289-I293 VanDerWaalsContact O-CG1 3.3Å; E289-I293 WeakPolarHBondContact O-CG1 3.49Å; E289-I293 PolarHBondContact O-N 2.91Å |
| 290 | Y | 93.6 | Very high | 92.2 | Very high | 150 Ų | 150 | 88.7 Ų | 88.7 | 59% | 0.588 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -59.2 | -44.6 | 176.4 | 178.7 | -100.7 | 0 | 0 | 0 | 112 | A286 E288 A292 I293 M294 | A286-Y290 VanDerWaalsContact O-CB 3.31Å; A286-Y290 WeakPolarHBondContact O-CB 3.19Å; A286-Y290 PolarHBondContact O-N 3.48Å; E288-Y290 PolarHBondContact O-N 2.96Å; Y290-A292 VanDerWaalsContact C-N 3.33Å; Y290-A292 PolarHBondContact O-N 3.32Å; Y290-I293 PolarHBondContact O-N 2.99Å; Y290-M294 HydrophobicContact CD1-CG 4.32Å; Y290-M294 HydrophobicContact CE1-CG 3.89Å; Y290-M294 HydrophobicContact CE2-CG 4.21Å; Y290-M294 HydrophobicContact CE2-SD 4.29Å; Y290-M294 VanDerWaalsContact O-CG 3.32Å; Y290-M294 WeakPolarHBondContact O-CG 3.3Å; Y290-M294 PolarHBondContact O-N 2.88Å |
| 291 | R | 91.2 | Very high | 92.2 | Very high | 116 Ų | 116 | 93.3 Ų | 93.3 | 44% | 0.438 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.2 | -42.9 | 175.2 | -75.8 | 166.9 | 170.7 | 165.7 | -6 | 111.7 | R287 E288 E289 M294 L295 | R287-R291 WeakPolarHBondContact O-CB 3.48Å; R287-R291 VanDerWaalsContact O-CG 3.25Å; R287-R291 WeakPolarHBondContact O-CG 3.45Å; R287-R291 PolarHBondContact O-N 3.31Å; E288-R291 WeakPolarHBondContact O-CB 3.31Å; E288-R291 PolarHBondContact O-N 3.17Å; E289-R291 VanDerWaalsContact C-N 3.34Å; E289-R291 PolarHBondContact O-N 2.96Å; R291-M294 PolarHBondContact O-N 3.04Å; R291-L295 WeakPolarHBondContact O-CG 3.49Å; R291-L295 PolarHBondContact O-N 3.32Å; R291-L295 VanDerWaalsContact O-N 3.08Å |
| 292 | A | 92.1 | Very high | 92 | Very high | 22 Ų | 22 | 94.7 Ų | 94.7 | 18% | 0.182 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E288 E289 Y290 M294 L295 R296 | E288-A292 WeakPolarHBondContact O-CB 3.19Å; E288-A292 PolarHBondContact O-N 3.45Å; E289-A292 PolarHBondContact O-N 3.47Å; E289-A292 VanDerWaalsContact O-N 3.16Å; Y290-A292 VanDerWaalsContact C-N 3.33Å; Y290-A292 PolarHBondContact O-N 3.32Å; A292-M294 PolarHBondContact O-N 3.16Å; A292-L295 PolarHBondContact O-N 3.32Å; A292-R296 WeakPolarHBondContact O-CG 3.17Å; A292-R296 PolarHBondContact O-N 3.33Å |
| 293 | I | 94.5 | Very high | 91.7 | Very high | 101 Ų | 101 | 92.5 Ų | 92.5 | 52% | 0.518 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.6 | -46.6 | 176 | -69.3 | 165.2 | 0 | 0 | 0 | 110.6 | E289 Y290 L295 R296 E297 | E289-I293 VanDerWaalsContact O-CG1 3.3Å; E289-I293 WeakPolarHBondContact O-CG1 3.49Å; E289-I293 PolarHBondContact O-N 2.91Å; Y290-I293 PolarHBondContact O-N 2.99Å; I293-L295 VanDerWaalsContact C-N 3.34Å; I293-L295 PolarHBondContact O-N 3.22Å; I293-R296 PolarHBondContact O-N 3.46Å; I293-E297 PolarHBondContact O-N 3.46Å |
| 294 | M | 89.1 | Confident | 91.8 | Very high | 100 Ų | 100 | 93.2 Ų | 93.2 | 49% | 0.493 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 178.7 | -70.2 | -59.4 | -61.9 | 0 | 0 | 112.3 | Y290 R291 A292 D298 | Y290-M294 HydrophobicContact CD1-CG 4.32Å; Y290-M294 HydrophobicContact CE1-CG 3.89Å; Y290-M294 HydrophobicContact CE2-CG 4.21Å; Y290-M294 HydrophobicContact CE2-SD 4.29Å; Y290-M294 VanDerWaalsContact O-CG 3.32Å; Y290-M294 WeakPolarHBondContact O-CG 3.3Å; Y290-M294 PolarHBondContact O-N 2.88Å; R291-M294 PolarHBondContact O-N 3.04Å; A292-M294 PolarHBondContact O-N 3.16Å; M294-D298 WeakPolarHBondContact O-CB 3.48Å; M294-D298 PolarHBondContact O-N 2.64Å; M294-D298 VanDerWaalsContact O-N 3.11Å |
| 295 | L | 93.8 | Very high | 91.7 | Very high | 99 Ų | 99 | 95.8 Ų | 95.8 | 52% | 0.518 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.3 | -40.8 | 176.2 | -72.9 | 170.8 | 0 | 0 | 0 | 112.4 | R291 A292 I293 E297 D298 L299 | R291-L295 WeakPolarHBondContact O-CG 3.49Å; R291-L295 PolarHBondContact O-N 3.32Å; R291-L295 VanDerWaalsContact O-N 3.08Å; A292-L295 PolarHBondContact O-N 3.32Å; I293-L295 VanDerWaalsContact C-N 3.34Å; I293-L295 PolarHBondContact O-N 3.22Å; L295-E297 VanDerWaalsContact C-N 3.34Å; L295-E297 PolarHBondContact O-N 3.39Å; L295-D298 PolarHBondContact O-N 2.95Å; L295-L299 WeakPolarHBondContact O-CB 3.3Å; L295-L299 WeakPolarHBondContact O-CG 3.41Å; L295-L299 PolarHBondContact O-N 3.36Å |
| 296 | R | 92 | Very high | 91.5 | Very high | 124 Ų | 124 | 96.3 Ų | 96.3 | 47% | 0.468 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 177.1 | -73.6 | 177.7 | -169.1 | 171.8 | 6.7 | 111.7 | A292 I293 L299 R300 F357 | A292-R296 WeakPolarHBondContact O-CG 3.17Å; A292-R296 PolarHBondContact O-N 3.33Å; I293-R296 PolarHBondContact O-N 3.46Å; R296-L299 PolarHBondContact O-N 3.31Å; R296-R300 WeakPolarHBondContact O-CB 3.5Å; R296-R300 PolarHBondContact O-N 3.37Å; R296-F357 PolarHBondContact NH2-O 3.4Å |
| 297 | E | 92.7 | Very high | 91.4 | Very high | 55 Ų | 55 | 100 Ų | 100 | 26% | 0.257 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 177.8 | -177.1 | 58.6 | -156.5 | 0 | 0 | 112 | I293 L295 R300 R301 | I293-E297 PolarHBondContact O-N 3.46Å; L295-E297 VanDerWaalsContact C-N 3.34Å; L295-E297 PolarHBondContact O-N 3.39Å; E297-R300 PolarHBondContact O-N 2.81Å; E297-R300 IonicContact OE1-CZ 2.76Å; E297-R300 IonicContact OE1-NE 3.66Å; E297-R300 IonicContact OE1-NH2 2.92Å; E297-R300 PolarHBondContact OE1-NH2 3.48Å; E297-R300 IonicContact OE2-CZ 3.92Å; E297-R300 IonicContact OE2-NE 3.27Å; E297-R300 PolarHBondContact OE2-NE 3.17Å; E297-R300 IonicContact OE2-NH1 2.85Å; E297-R300 IonicContact OE2-NH2 3.1Å; E297-R300 PolarHBondContact OE2-NH2 2.92Å; E297-R301 WeakPolarHBondContact O-CG 3.5Å; E297-R301 PolarHBondContact O-N 3.06Å; E297-R301 IonicContact OE1-CZ 3.87Å; E297-R301 IonicContact OE1-NE 3.65Å; E297-R301 PolarHBondContact OE1-NE 3.16Å; E297-R301 IonicContact OE1-NH2 3.92Å |
| 298 | D | 92.4 | Very high | 91.4 | Very high | 62 Ų | 62 | 104 Ų | 104 | 33% | 0.332 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66 | -40.9 | 176.3 | -170.8 | 44.9 | 0 | 0 | 0 | 112 | M294 L295 R301 R302 | M294-D298 WeakPolarHBondContact O-CB 3.48Å; M294-D298 PolarHBondContact O-N 2.64Å; M294-D298 VanDerWaalsContact O-N 3.11Å; L295-D298 PolarHBondContact O-N 2.95Å; D298-R301 PolarHBondContact O-N 3.36Å; D298-R302 PolarHBondContact O-N 3.18Å; D298-R302 VanDerWaalsContact O-N 3.14Å; D298-R302 IonicContact OD1-CZ 2.76Å; D298-R302 IonicContact OD1-NH1 3.52Å; D298-R302 IonicContact OD1-NH2 3.74Å; D298-R302 PolarHBondContact OD1-NH2 3.16Å; D298-R302 IonicContact OD2-CZ 2.73Å; D298-R302 IonicContact OD2-NH1 3.81Å; D298-R302 PolarHBondContact OD2-NH1 3.3Å; D298-R302 IonicContact OD2-NH2 3.58Å; D298-R302 PolarHBondContact OD2-NH2 3.34Å |
| 299 | L | 91.6 | Very high | 91.3 | Very high | 56 Ų | 56 | 104.1 Ų | 104.1 | 29% | 0.293 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 172.8 | -75.5 | 171.9 | 0 | 0 | 0 | 111.9 | L295 R296 R301 R302 Q303 | L295-L299 WeakPolarHBondContact O-CB 3.3Å; L295-L299 WeakPolarHBondContact O-CG 3.41Å; L295-L299 PolarHBondContact O-N 3.36Å; R296-L299 PolarHBondContact O-N 3.31Å; L299-R301 VanDerWaalsContact C-N 3.33Å; L299-R301 PolarHBondContact O-N 3.48Å; L299-R302 PolarHBondContact O-N 2.93Å; L299-Q303 WeakPolarHBondContact O-CG 3.43Å; L299-Q303 PolarHBondContact O-N 3.12Å |
| 300 | R | 90.8 | Very high | 91 | Very high | 125 Ų | 125 | 103.5 Ų | 103.5 | 47% | 0.472 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -57.7 | -45.7 | 177.1 | -173.5 | -177.7 | 70.5 | 169.1 | 3.2 | 111.4 | R296 E297 R302 Q303 E304 | R296-R300 WeakPolarHBondContact O-CB 3.5Å; R296-R300 PolarHBondContact O-N 3.37Å; E297-R300 PolarHBondContact O-N 2.81Å; E297-R300 IonicContact OE1-CZ 2.76Å; E297-R300 IonicContact OE1-NE 3.66Å; E297-R300 IonicContact OE1-NH2 2.92Å; E297-R300 PolarHBondContact OE1-NH2 3.48Å; E297-R300 IonicContact OE2-CZ 3.92Å; E297-R300 IonicContact OE2-NE 3.27Å; E297-R300 PolarHBondContact OE2-NE 3.17Å; E297-R300 IonicContact OE2-NH1 2.85Å; E297-R300 IonicContact OE2-NH2 3.1Å; E297-R300 PolarHBondContact OE2-NH2 2.92Å; R300-R302 PolarHBondContact O-N 3.16Å; R300-Q303 PolarHBondContact O-N 3.33Å; R300-E304 IonicContact NE-OE1 2.6Å; R300-E304 WeakPolarHBondContact O-CG 3.42Å; R300-E304 PolarHBondContact O-N 3.3Å |
| 301 | R | 90.3 | Very high | 90.8 | Very high | 153 Ų | 153 | 98.6 Ų | 98.6 | 58% | 0.577 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -60.9 | -43.2 | 177.4 | -72.1 | 173.7 | -174.1 | -161.7 | 0.4 | 112.5 | E297 D298 L299 E304 E305 | E297-R301 WeakPolarHBondContact O-CG 3.5Å; E297-R301 PolarHBondContact O-N 3.06Å; E297-R301 IonicContact OE1-CZ 3.87Å; E297-R301 IonicContact OE1-NE 3.65Å; E297-R301 PolarHBondContact OE1-NE 3.16Å; E297-R301 IonicContact OE1-NH2 3.92Å; D298-R301 PolarHBondContact O-N 3.36Å; L299-R301 VanDerWaalsContact C-N 3.33Å; L299-R301 PolarHBondContact O-N 3.48Å; R301-E304 PolarHBondContact O-N 2.9Å; R301-E305 WeakPolarHBondContact O-CB 3.48Å; R301-E305 PolarHBondContact O-N 3.07Å |
| 302 | R | 89.1 | Confident | 90.7 | Very high | 126 Ų | 126 | 95.6 Ų | 95.6 | 48% | 0.475 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.6 | -36.8 | 176.9 | -70.9 | -171.3 | -174.1 | 106.3 | 15.2 | 112.3 | D298 L299 R300 E305 L306 | D298-R302 PolarHBondContact O-N 3.18Å; D298-R302 VanDerWaalsContact O-N 3.14Å; D298-R302 IonicContact OD1-CZ 2.76Å; D298-R302 IonicContact OD1-NH1 3.52Å; D298-R302 IonicContact OD1-NH2 3.74Å; D298-R302 PolarHBondContact OD1-NH2 3.16Å; D298-R302 IonicContact OD2-CZ 2.73Å; D298-R302 IonicContact OD2-NH1 3.81Å; D298-R302 PolarHBondContact OD2-NH1 3.3Å; D298-R302 IonicContact OD2-NH2 3.58Å; D298-R302 PolarHBondContact OD2-NH2 3.34Å; L299-R302 PolarHBondContact O-N 2.93Å; R300-R302 PolarHBondContact O-N 3.16Å; R302-E305 PolarHBondContact O-N 2.96Å; R302-L306 WeakPolarHBondContact O-CB 3.43Å; R302-L306 VanDerWaalsContact O-CG 3.27Å; R302-L306 WeakPolarHBondContact O-CG 3.45Å; R302-L306 PolarHBondContact O-N 3.5Å |
| 303 | Q | 88.3 | Confident | 90.4 | Very high | 61 Ų | 61 | 98.9 Ų | 98.9 | 29% | 0.285 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.2 | -48.5 | 175.3 | -74.9 | 176.4 | -34.2 | 0 | 0 | 111.4 | L299 R300 E305 L306 E307 | L299-Q303 WeakPolarHBondContact O-CG 3.43Å; L299-Q303 PolarHBondContact O-N 3.12Å; R300-Q303 PolarHBondContact O-N 3.33Å; Q303-E305 VanDerWaalsContact C-N 3.28Å; Q303-E305 PolarHBondContact O-N 3.03Å; Q303-L306 PolarHBondContact O-N 3.02Å; Q303-E307 WeakPolarHBondContact O-CG 3.4Å; Q303-E307 PolarHBondContact O-N 3.46Å |
| 304 | E | 91.8 | Very high | 90 | Very high | 77 Ų | 77 | 103 Ų | 103 | 36% | 0.36 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.5 | -38 | 175.9 | -70.9 | 174.3 | -165.2 | 0 | 0 | 112.3 | R300 R301 R308 | R300-E304 IonicContact NE-OE1 2.6Å; R300-E304 WeakPolarHBondContact O-CG 3.42Å; R300-E304 PolarHBondContact O-N 3.3Å; R301-E304 PolarHBondContact O-N 2.9Å; E304-R308 WeakPolarHBondContact O-CB 3.39Å; E304-R308 VanDerWaalsContact O-CG 3.27Å; E304-R308 WeakPolarHBondContact O-CG 3.28Å; E304-R308 PolarHBondContact O-N 3.27Å |
| 305 | E | 89.3 | Confident | 89.8 | Confident | 122 Ų | 122 | 104.5 Ų | 104.5 | 57% | 0.57 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.6 | -44.8 | 176.1 | -173.1 | 175.2 | -168 | 0 | 0 | 112.1 | R301 R302 Q303 R308 L309 | R301-E305 WeakPolarHBondContact O-CB 3.48Å; R301-E305 PolarHBondContact O-N 3.07Å; R302-E305 PolarHBondContact O-N 2.96Å; Q303-E305 VanDerWaalsContact C-N 3.28Å; Q303-E305 PolarHBondContact O-N 3.03Å; E305-R308 PolarHBondContact O-N 3.34Å; E305-L309 HydrophobicContact CG-CD1 4.35Å; E305-L309 WeakPolarHBondContact O-CG 3.17Å; E305-L309 PolarHBondContact O-N 3.48Å |
| 306 | L | 88.6 | Confident | 89.2 | Confident | 102 Ų | 102 | 107.8 Ų | 107.8 | 53% | 0.534 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 175.3 | -73.4 | 166.7 | 0 | 0 | 0 | 111.3 | R302 Q303 R308 L309 E310 | R302-L306 WeakPolarHBondContact O-CB 3.43Å; R302-L306 VanDerWaalsContact O-CG 3.27Å; R302-L306 WeakPolarHBondContact O-CG 3.45Å; R302-L306 PolarHBondContact O-N 3.5Å; Q303-L306 PolarHBondContact O-N 3.02Å; L306-R308 PolarHBondContact O-N 3.14Å; L306-L309 PolarHBondContact O-N 2.83Å; L306-E310 WeakPolarHBondContact O-CB 3.31Å; L306-E310 WeakPolarHBondContact O-CG 3.26Å; L306-E310 PolarHBondContact O-N 2.96Å |
| 307 | E | 91.6 | Very high | 88.6 | Confident | 130 Ų | 130 | 105.7 Ų | 105.7 | 61% | 0.607 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61.1 | -41.6 | 177 | -74.9 | 178.8 | 178.1 | 0 | 0 | 112.2 | Q303 E310 A311 | Q303-E307 WeakPolarHBondContact O-CG 3.4Å; Q303-E307 PolarHBondContact O-N 3.46Å; E307-E310 PolarHBondContact O-N 3.2Å; E307-A311 VanDerWaalsContact O-CB 3.28Å; E307-A311 WeakPolarHBondContact O-CB 3.27Å; E307-A311 PolarHBondContact O-N 3.27Å |
| 308 | R | 90.6 | Very high | 88.2 | Confident | 179 Ų | 179 | 104.6 Ų | 104.6 | 68% | 0.675 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.5 | -43.5 | 174.7 | -75.6 | 175.4 | -169.7 | 173.6 | 8.5 | 112.1 | E304 E305 L306 A311 A312 | E304-R308 WeakPolarHBondContact O-CB 3.39Å; E304-R308 VanDerWaalsContact O-CG 3.27Å; E304-R308 WeakPolarHBondContact O-CG 3.28Å; E304-R308 PolarHBondContact O-N 3.27Å; E305-R308 PolarHBondContact O-N 3.34Å; L306-R308 PolarHBondContact O-N 3.14Å; R308-A311 PolarHBondContact O-N 3.04Å; R308-A312 WeakPolarHBondContact O-CB 3.49Å; R308-A312 PolarHBondContact O-N 3.35Å |
| 309 | L | 89.2 | Confident | 87.5 | Confident | 111 Ų | 111 | 108 Ų | 108 | 58% | 0.581 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.1 | -40 | 178.3 | -72.5 | 171.8 | 0 | 0 | 0 | 111.7 | E305 L306 R313 | E305-L309 HydrophobicContact CG-CD1 4.35Å; E305-L309 WeakPolarHBondContact O-CG 3.17Å; E305-L309 PolarHBondContact O-N 3.48Å; L306-L309 PolarHBondContact O-N 2.83Å; L309-R313 VanDerWaalsContact O-CB 3.23Å; L309-R313 WeakPolarHBondContact O-CB 3.24Å; L309-R313 PolarHBondContact O-N 3.19Å |
| 310 | E | 87.6 | Confident | 86.6 | Confident | 103 Ų | 103 | 109.2 Ų | 109.2 | 48% | 0.481 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.8 | -40.3 | 175.3 | -74.2 | -174.7 | 179.4 | 0 | 0 | 112.3 | L306 E307 R313 R314 | L306-E310 WeakPolarHBondContact O-CB 3.31Å; L306-E310 WeakPolarHBondContact O-CG 3.26Å; L306-E310 PolarHBondContact O-N 2.96Å; E307-E310 PolarHBondContact O-N 3.2Å; E310-R313 PolarHBondContact O-N 3.43Å; E310-R314 WeakPolarHBondContact O-CB 3.43Å; E310-R314 PolarHBondContact O-N 2.85Å |
| 311 | A | 89.2 | Confident | 85.7 | Confident | 46 Ų | 46 | 110.2 Ų | 110.2 | 38% | 0.38 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.7 | -49 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E307 R308 R313 R314 E315 | E307-A311 VanDerWaalsContact O-CB 3.28Å; E307-A311 WeakPolarHBondContact O-CB 3.27Å; E307-A311 PolarHBondContact O-N 3.27Å; R308-A311 PolarHBondContact O-N 3.04Å; A311-R313 VanDerWaalsContact C-N 3.31Å; A311-R313 PolarHBondContact O-N 2.8Å; A311-R314 WeakPolarHBondContact O-CB 3.43Å; A311-R314 PolarHBondContact O-N 3.27Å; A311-R314 VanDerWaalsContact O-N 3.11Å; A311-E315 WeakPolarHBondContact O-CG 3.48Å; A311-E315 PolarHBondContact O-N 3.12Å |
| 312 | A | 89.9 | Confident | 84.6 | Confident | 53 Ų | 53 | 110.8 Ų | 110.8 | 44% | 0.438 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.4 | -38.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R308 R316 | R308-A312 WeakPolarHBondContact O-CB 3.49Å; R308-A312 PolarHBondContact O-N 3.35Å; A312-R316 WeakPolarHBondContact O-CB 3.44Å; A312-R316 PolarHBondContact O-N 3.49Å |
| 313 | R | 85.9 | Confident | 83.4 | Confident | 91 Ų | 91 | 115.2 Ų | 115.2 | 34% | 0.343 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.2 | -47.2 | 172.7 | -175.4 | 176.9 | -174.2 | -167.8 | -1.8 | 110.4 | L309 E310 A311 R316 Y317 G340 | L309-R313 VanDerWaalsContact O-CB 3.23Å; L309-R313 WeakPolarHBondContact O-CB 3.24Å; L309-R313 PolarHBondContact O-N 3.19Å; E310-R313 PolarHBondContact O-N 3.43Å; A311-R313 VanDerWaalsContact C-N 3.31Å; A311-R313 PolarHBondContact O-N 2.8Å; R313-R316 PolarHBondContact O-N 3.09Å; R313-Y317 HydrophobicContact CG-CD2 3.85Å; R313-Y317 HydrophobicContact CG-CE2 3.6Å; R313-Y317 PolarHBondContact NH2-OH 3.5Å; R313-Y317 WeakPolarHBondContact O-CD2 2.94Å; R313-Y317 PolarHBondContact O-N 2.92Å; R313-G340 PolarHBondContact NH2-O 3.07Å |
| 314 | R | 85.6 | Confident | 82 | Confident | 189 Ų | 189 | 116.8 Ų | 116.8 | 71% | 0.713 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.1 | -43.1 | 179.4 | -172.8 | 179.5 | -71.4 | 161.3 | 0.5 | 112 | E310 A311 Y317 G318 | E310-R314 WeakPolarHBondContact O-CB 3.43Å; E310-R314 PolarHBondContact O-N 2.85Å; A311-R314 WeakPolarHBondContact O-CB 3.43Å; A311-R314 PolarHBondContact O-N 3.27Å; A311-R314 VanDerWaalsContact O-N 3.11Å; R314-Y317 PolarHBondContact O-N 3.31Å; R314-G318 PolarHBondContact O-N 3.5Å |
| 315 | E | 85.5 | Confident | 80.4 | Confident | 130 Ų | 130 | 116.7 Ų | 116.7 | 61% | 0.607 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62 | -44.2 | 174.3 | -72.9 | 179.5 | 178.4 | 0 | 0 | 112 | A311 Y317 G318 M319 | A311-E315 WeakPolarHBondContact O-CG 3.48Å; A311-E315 PolarHBondContact O-N 3.12Å; E315-Y317 VanDerWaalsContact C-N 3.33Å; E315-Y317 PolarHBondContact O-N 3.05Å; E315-G318 PolarHBondContact O-N 3.36Å; E315-G318 VanDerWaalsContact O-N 3.15Å; E315-M319 WeakPolarHBondContact O-CG 3.43Å; E315-M319 PolarHBondContact O-N 3.27Å |
| 316 | R | 82 | Confident | 78.6 | Confident | 168 Ų | 168 | 114.1 Ų | 114.1 | 63% | 0.634 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62 | -39.8 | 177.5 | -163.8 | -179 | -166.5 | -147.3 | 4 | 112.2 | A312 R313 M320 | A312-R316 WeakPolarHBondContact O-CB 3.44Å; A312-R316 PolarHBondContact O-N 3.49Å; R313-R316 PolarHBondContact O-N 3.09Å; R316-M320 HydrophobicContact CG-CE 4.28Å; R316-M320 PolarHBondContact O-N 3.45Å; R316-M320 VanDerWaalsContact O-N 3.09Å |
| 317 | Y | 79.6 | Confident | 76.7 | Confident | 81 Ų | 81 | 119.4 Ų | 119.4 | 32% | 0.318 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.6 | -41.1 | 172.7 | -82.9 | -74.8 | 0 | 0 | 0 | 112.1 | R313 R314 E315 M320 Q321 M339 | R313-Y317 HydrophobicContact CG-CD2 3.85Å; R313-Y317 HydrophobicContact CG-CE2 3.6Å; R313-Y317 PolarHBondContact NH2-OH 3.5Å; R313-Y317 WeakPolarHBondContact O-CD2 2.94Å; R313-Y317 PolarHBondContact O-N 2.92Å; R314-Y317 PolarHBondContact O-N 3.31Å; E315-Y317 VanDerWaalsContact C-N 3.33Å; E315-Y317 PolarHBondContact O-N 3.05Å; Y317-M320 PolarHBondContact O-N 3.45Å; Y317-Q321 WeakPolarHBondContact O-CG 3.35Å; Y317-Q321 PolarHBondContact O-N 3.44Å; Y317-M339 HydrophobicContact CE1-SD 3.71Å; Y317-M339 HydrophobicContact CE2-SD 4.26Å; Y317-M339 PolarHBondContact OH-SD 2.83Å |
| 318 | G | 83.2 | Confident | 74.4 | Confident | 31 Ų | 31 | 116.8 Ų | 116.8 | 32% | 0.32 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.7 | -45.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R314 E315 M320 Q321 Q322 | R314-G318 PolarHBondContact O-N 3.5Å; E315-G318 PolarHBondContact O-N 3.36Å; E315-G318 VanDerWaalsContact O-N 3.15Å; G318-M320 PolarHBondContact O-N 2.85Å; G318-Q321 PolarHBondContact O-N 3.34Å; G318-Q322 PolarHBondContact O-N 2.8Å |
| 319 | M | 78.9 | Confident | 72.3 | Confident | 135 Ų | 135 | 115.5 Ų | 115.5 | 67% | 0.665 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.5 | -39.3 | 175.2 | -73 | -172.8 | 179.7 | 0 | 0 | 112.1 | E315 R323 | E315-M319 WeakPolarHBondContact O-CG 3.43Å; E315-M319 PolarHBondContact O-N 3.27Å; M319-R323 WeakPolarHBondContact O-CB 3.44Å; M319-R323 PolarHBondContact O-N 3.1Å |
| 320 | M | 72.2 | Confident | 70.4 | Confident | 80 Ų | 80 | 121.3 Ų | 121.3 | 39% | 0.394 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.2 | -41.4 | 175 | -88.3 | -159.4 | -103.8 | 0 | 0 | 112.5 | R316 Y317 G318 R323 N324 M339 | R316-M320 HydrophobicContact CG-CE 4.28Å; R316-M320 PolarHBondContact O-N 3.45Å; R316-M320 VanDerWaalsContact O-N 3.09Å; Y317-M320 PolarHBondContact O-N 3.45Å; G318-M320 PolarHBondContact O-N 2.85Å; M320-R323 PolarHBondContact O-N 3.47Å; M320-N324 WeakPolarHBondContact O-CB 3.45Å; M320-N324 PolarHBondContact O-N 2.95Å; M320-M339 HydrophobicContact CE-CE 3.83Å |
| 321 | Q | 70.6 | Confident | 68.6 | Low | 146 Ų | 146 | 123.9 Ų | 123.9 | 68% | 0.682 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.8 | -41.4 | 177.6 | -75.4 | -175.2 | 35.2 | 0 | 0 | 112.2 | Y317 G318 R323 N324 G325 | Y317-Q321 WeakPolarHBondContact O-CG 3.35Å; Y317-Q321 PolarHBondContact O-N 3.44Å; G318-Q321 PolarHBondContact O-N 3.34Å; Q321-R323 VanDerWaalsContact C-N 3.34Å; Q321-R323 PolarHBondContact O-N 3.36Å; Q321-N324 PolarHBondContact O-N 3.45Å; Q321-G325 PolarHBondContact O-N 2.92Å |
| 322 | Q | 68.9 | Low | 66.6 | Low | 166 Ų | 166 | 125.3 Ų | 125.3 | 78% | 0.776 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -64.1 | -38.6 | 175 | -73.2 | -179.8 | 14.7 | 0 | 0 | 112.1 | G318 | G318-Q322 PolarHBondContact O-N 2.8Å |
| 323 | R | 63 | Low | 64.9 | Low | 218 Ų | 218 | 126.5 Ų | 126.5 | 82% | 0.823 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69.5 | -33.7 | 177.7 | -128.7 | 175.6 | 168.3 | -179.4 | -4.4 | 113 | M319 M320 Q321 | M319-R323 WeakPolarHBondContact O-CB 3.44Å; M319-R323 PolarHBondContact O-N 3.1Å; M320-R323 PolarHBondContact O-N 3.47Å; Q321-R323 VanDerWaalsContact C-N 3.34Å; Q321-R323 PolarHBondContact O-N 3.36Å |
| 324 | N | 60 | Low | 63.4 | Low | 94 Ų | 94 | 127.6 Ų | 127.6 | 50% | 0.503 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -87 | -16.4 | 179.9 | -125.9 | 23.1 | 0 | 0 | 0 | 113.4 | M320 Q321 G326 R327 | M320-N324 WeakPolarHBondContact O-CB 3.45Å; M320-N324 PolarHBondContact O-N 2.95Å; Q321-N324 PolarHBondContact O-N 3.45Å; N324-G326 PolarHBondContact O-N 2.99Å; N324-G326 VanDerWaalsContact O-N 3.1Å; N324-R327 PolarHBondContact O-N 3.49Å |
| 325 | G | 56.3 | Low | 61.8 | Low | 75 Ų | 75 | 123.9 Ų | 123.9 | 77% | 0.773 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -2.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q321 | Q321-G325 PolarHBondContact O-N 2.92Š|
| 326 | G | 52.3 | Low | 60.2 | Low | 69 Ų | 69 | 126.3 Ų | 126.3 | 71% | 0.711 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117 | 2.6 | 177 | 0 | 0 | 0 | 0 | 0 | 115.4 | N324 | N324-G326 PolarHBondContact O-N 2.99Å; N324-G326 VanDerWaalsContact O-N 3.1Å |
| 327 | R | 49 | Very low | 58.8 | Low | 213 Ų | 213 | 125.6 Ų | 125.6 | 80% | 0.804 | 67% | 0.665 | S | S | * | * | trans | -131.6 | 93.7 | 175.6 | -77.6 | -174.9 | 178.4 | 179.1 | -1.9 | 109.5 | N324 | N324-R327 PolarHBondContact O-N 3.49Š| ||
| 328 | G | 42.5 | Very low | 57.4 | Low | 75 Ų | 75 | 129.3 Ų | 129.3 | 77% | 0.773 | 69% | 0.686 | S | S | * | * | trans | -55.9 | 148.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 329 | D | 46.3 | Very low | 55.7 | Low | 151 Ų | 151 | 131.2 Ų | 131.2 | 81% | 0.807 | 69% | 0.687 | S | S | * | * | S | Bend | trans | 69.5 | 122 | 165.7 | -88.9 | -15 | 0 | 0 | 0 | 119.7 | ||
| 330 | R | 51 | Low | 54.3 | Low | 233 Ų | 233 | 127 Ų | 127 | 88% | 0.879 | 68% | 0.678 | S | S | * | * | trans | 73.4 | 78 | 163.1 | -53.4 | 178 | -157.5 | 175.3 | 4.8 | 116.5 | ||||
| 331 | M | 48.2 | Very low | 53.5 | Low | 158 Ų | 158 | 128.8 Ų | 128.8 | 78% | 0.778 | 70% | 0.696 | S | S | * | * | trans | -121.7 | 121.9 | 144.6 | -86.8 | -161.5 | 173 | 0 | 0 | 110.9 | ||||
| 332 | S | 48.3 | Very low | 52.5 | Low | 76 Ų | 76 | 125.6 Ų | 125.6 | 53% | 0.531 | 69% | 0.688 | S | S | . | * | trans | -49.3 | 144 | -173.5 | -172.8 | 0 | 0 | 0 | 0 | 113.4 | D334 L335 | S332-D334 PolarHBondContact O-N 2.72Å; S332-D334 PolarHBondContact OG-N 3.44Å; S332-D334 PolarHBondContact OG-OD2 3.2Å; S332-L335 PolarHBondContact O-N 3.33Å | ||
| 333 | A | 54.3 | Low | 51.6 | Low | 78 Ų | 78 | 122.9 Ų | 122.9 | 65% | 0.645 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -54.7 | -11 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L335 K336 | A333-L335 VanDerWaalsContact C-N 3.33Å; A333-L335 PolarHBondContact O-N 3.48Å; A333-K336 PolarHBondContact O-N 3.37Å |
| 334 | D | 53.1 | Low | 50.8 | Low | 114 Ų | 114 | 114.8 Ų | 114.8 | 61% | 0.61 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -69.2 | -20.2 | 178.7 | -65.2 | -46.1 | 0 | 0 | 0 | 115.1 | S332 | S332-D334 PolarHBondContact O-N 2.72Å; S332-D334 PolarHBondContact OG-N 3.44Å; S332-D334 PolarHBondContact OG-OD2 3.2Å |
| 335 | L | 52.9 | Low | 50.1 | Low | 110 Ų | 110 | 119.2 Ų | 119.2 | 58% | 0.576 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -84 | -18.1 | 175.4 | -129.9 | 80.9 | 0 | 0 | 0 | 113.3 | S332 A333 N337 | S332-L335 PolarHBondContact O-N 3.33Å; A333-L335 VanDerWaalsContact C-N 3.33Å; A333-L335 PolarHBondContact O-N 3.48Å; L335-N337 VanDerWaalsContact C-N 3.28Å |
| 336 | K | 52.6 | Low | 49.6 | Very low | 182 Ų | 182 | 122.6 Ų | 122.6 | 79% | 0.791 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -18.5 | 175 | -84.5 | 176.5 | 173.6 | 176.7 | 0 | 112.6 | A333 | A333-K336 PolarHBondContact O-N 3.37Š|
| 337 | N | 51.6 | Low | 49.4 | Very low | 152 Ų | 152 | 123.4 Ų | 123.4 | 81% | 0.813 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -6.4 | 175.5 | -99.3 | 0.4 | 0 | 0 | 0 | 114.7 | L335 | L335-N337 VanDerWaalsContact C-N 3.28Š|
| 338 | Q | 50.8 | Low | 49.3 | Very low | 159 Ų | 159 | 121 Ų | 121 | 74% | 0.743 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -94.5 | -2.3 | 175 | -69.6 | -171.8 | 27.1 | 0 | 0 | 113.7 | ||
| 339 | M | 46.5 | Very low | 49.4 | Very low | 71 Ų | 71 | 119.3 Ų | 119.3 | 35% | 0.35 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -116 | 85 | 172.9 | -61.9 | -148.8 | 178.8 | 0 | 0 | 108.4 | Y317 M320 | Y317-M339 HydrophobicContact CE1-SD 3.71Å; Y317-M339 HydrophobicContact CE2-SD 4.26Å; Y317-M339 PolarHBondContact OH-SD 2.83Å; M320-M339 HydrophobicContact CE-CE 3.83Å |
| 340 | G | 49.6 | Very low | 49.7 | Very low | 47 Ų | 47 | 114.3 Ų | 114.3 | 49% | 0.485 | 63% | 0.63 | S | S | . | * | P | Polyproline II helix | trans | -50.2 | 151.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R313 | R313-G340 PolarHBondContact NH2-O 3.07Š|
| 341 | P | 55.7 | Low | 49.5 | Very low | 117 Ų | 117 | 109.5 Ų | 109.5 | 76% | 0.76 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -53 | 143.7 | 179.6 | 23.2 | -32.2 | 0 | 0 | 0 | 109.4 | ||
| 342 | P | 50.6 | Low | 49.4 | Very low | 79 Ų | 79 | 108.4 Ų | 108.4 | 51% | 0.513 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -52.1 | 142.9 | 166.1 | 25.9 | -32 | 0 | 0 | 0 | 107.7 | G344 | P342-G344 PolarHBondContact O-N 2.71Š|
| 343 | P | 49.7 | Very low | 49.5 | Very low | 109 Ų | 109 | 109.2 Ų | 109.2 | 71% | 0.708 | 61% | 0.608 | S | S | * | * | trans | -66.5 | 79.6 | 172 | 27.2 | -31.3 | 0 | 0 | 0 | 108.7 | H345 | P343-H345 PolarHBondContact O-N 3.31Š| ||
| 344 | G | 46.2 | Very low | 49.3 | Very low | 48 Ų | 48 | 107.6 Ų | 107.6 | 50% | 0.495 | 59% | 0.588 | S | S | . | * | trans | -76.6 | 19.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | P342 | P342-G344 PolarHBondContact O-N 2.71Š| ||
| 345 | H | 45.2 | Very low | 49.1 | Very low | 188 Ų | 188 | 108.3 Ų | 108.3 | 87% | 0.87 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -129.1 | 40.5 | -179.8 | -66.4 | -18.8 | 0 | 0 | 0 | 110.9 | P343 | P343-H345 PolarHBondContact O-N 3.31Š|
| 346 | M | 45 | Very low | 49.3 | Very low | 146 Ų | 146 | 108.8 Ų | 108.8 | 72% | 0.719 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -135.6 | -21.2 | 165.2 | -71 | -162.3 | 170.1 | 0 | 0 | 113.7 | H348 G349 V350 | M346-H348 PolarHBondContact O-N 3.32Å; M346-G349 PolarHBondContact O-N 3.18Å; M346-V350 WeakPolarHBondContact O-CG2 3.48Å; M346-V350 PolarHBondContact O-N 3.25Å |
| 347 | T | 49.2 | Very low | 49.1 | Very low | 85 Ų | 85 | 104 Ų | 104 | 52% | 0.521 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69.7 | -31.1 | -174.2 | 53 | 0 | 0 | 0 | 0 | 114.4 | ||
| 348 | H | 45.9 | Very low | 49 | Very low | 163 Ų | 163 | 103.2 Ų | 103.2 | 76% | 0.755 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -71.8 | -32.5 | 176.1 | -81.9 | -53.8 | 0 | 0 | 0 | 113.4 | M346 E352 | M346-H348 PolarHBondContact O-N 3.32Å; H348-E352 PolarHBondContact O-N 3.24Å |
| 349 | G | 45.6 | Very low | 48.5 | Very low | 39 Ų | 39 | 98.6 Ų | 98.6 | 40% | 0.402 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -74.8 | -27.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | M346 L353 | M346-G349 PolarHBondContact O-N 3.18Å; G349-L353 WeakPolarHBondContact O-CG 3.37Å; G349-L353 PolarHBondContact O-N 3.22Å |
| 350 | V | 51.2 | Low | 48.3 | Very low | 46 Ų | 46 | 100.4 Ų | 100.4 | 28% | 0.279 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -75.9 | -34.2 | 179.3 | -142 | 0 | 0 | 0 | 0 | 111.7 | M346 L354 | M346-V350 WeakPolarHBondContact O-CG2 3.48Å; M346-V350 PolarHBondContact O-N 3.25Å; V350-L354 HydrophobicContact CG1-CD1 4.27Å; V350-L354 WeakPolarHBondContact O-CD1 3.36Å; V350-L354 PolarHBondContact O-N 3.28Å; V350-L354 VanDerWaalsContact O-N 3.14Å |
| 351 | H | 46.3 | Very low | 48.3 | Very low | 133 Ų | 133 | 108.4 Ų | 108.4 | 62% | 0.616 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -72.4 | -37.1 | 179.6 | -144.3 | -80.8 | 0 | 0 | 0 | 111.9 | L354 E355 | H351-L354 PolarHBondContact O-N 3.23Å; H351-E355 PolarHBondContact O-N 3.46Å |
| 352 | E | 46.4 | Very low | 47.6 | Very low | 134 Ų | 134 | 111.2 Ų | 111.2 | 63% | 0.626 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -70.8 | -34.3 | 177.9 | -156.9 | 171.4 | -162.3 | 0 | 0 | 112.1 | H348 I356 | H348-E352 PolarHBondContact O-N 3.24Å; E352-I356 WeakPolarHBondContact O-CG1 3.27Å; E352-I356 PolarHBondContact O-N 3.09Å |
| 353 | L | 51.6 | Low | 46.8 | Very low | 93 Ų | 93 | 111.4 Ų | 111.4 | 49% | 0.487 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -69.6 | -35.9 | 171.2 | -74.2 | 170.1 | 0 | 0 | 0 | 112.3 | G349 E355 I356 F357 | G349-L353 WeakPolarHBondContact O-CG 3.37Å; G349-L353 PolarHBondContact O-N 3.22Å; L353-E355 PolarHBondContact O-N 2.76Å; L353-I356 PolarHBondContact O-N 2.71Å; L353-F357 WeakPolarHBondContact O-CD2 3.3Å; L353-F357 PolarHBondContact O-N 3.4Å; L353-F357 VanDerWaalsContact O-N 3.11Å |
| 354 | L | 49.7 | Very low | 46.1 | Very low | 45 Ų | 45 | 109.5 Ų | 109.5 | 24% | 0.236 | 60% | 0.601 | C | S | . | * | H | α-helix | trans | -64.7 | -37.9 | 176.4 | -100 | 95.7 | 0 | 0 | 0 | 112.5 | V350 H351 F357 Q358 | V350-L354 HydrophobicContact CG1-CD1 4.27Å; V350-L354 WeakPolarHBondContact O-CD1 3.36Å; V350-L354 PolarHBondContact O-N 3.28Å; V350-L354 VanDerWaalsContact O-N 3.14Å; H351-L354 PolarHBondContact O-N 3.23Å; L354-F357 CarbonylContact O-C 3.6Å; L354-F357 PolarHBondContact O-N 2.7Å; L354-Q358 VanDerWaalsContact O-CB 3.26Å; L354-Q358 WeakPolarHBondContact O-CB 3.36Å; L354-Q358 WeakPolarHBondContact O-CG 3.4Å; L354-Q358 PolarHBondContact O-N 3.4Å |
| 355 | E | 49.4 | Very low | 45.4 | Very low | 128 Ų | 128 | 116.3 Ų | 116.3 | 60% | 0.598 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -66.3 | -37.8 | 176.3 | -75.7 | -174.3 | 173 | 0 | 0 | 112.5 | H351 L353 F357 Q358 | H351-E355 PolarHBondContact O-N 3.46Å; L353-E355 PolarHBondContact O-N 2.76Å; E355-F357 VanDerWaalsContact C-N 3.3Å; E355-F357 PolarHBondContact O-N 3.4Å; E355-Q358 PolarHBondContact O-N 3.49Å |
| 356 | I | 56.1 | Low | 45 | Very low | 121 Ų | 121 | 112.9 Ų | 112.9 | 62% | 0.621 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.3 | -34.9 | 175.1 | -65.3 | 167.7 | 0 | 0 | 0 | 111.3 | E352 L353 | E352-I356 WeakPolarHBondContact O-CG1 3.27Å; E352-I356 PolarHBondContact O-N 3.09Å; L353-I356 PolarHBondContact O-N 2.71Å |
| 357 | F | 48.5 | Very low | 44.2 | Very low | 80 Ų | 80 | 111.8 Ų | 111.8 | 35% | 0.351 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -87.7 | -16.2 | 179 | -78.7 | -72.7 | 0 | 0 | 0 | 114.1 | R296 L353 L354 E355 | R296-F357 PolarHBondContact NH2-O 3.4Å; L353-F357 WeakPolarHBondContact O-CD2 3.3Å; L353-F357 PolarHBondContact O-N 3.4Å; L353-F357 VanDerWaalsContact O-N 3.11Å; L354-F357 CarbonylContact O-C 3.6Å; L354-F357 PolarHBondContact O-N 2.7Å; E355-F357 VanDerWaalsContact C-N 3.3Å; E355-F357 PolarHBondContact O-N 3.4Å |
| 358 | Q | 49.1 | Very low | 43.6 | Very low | 137 Ų | 137 | 116.2 Ų | 116.2 | 64% | 0.64 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -89.9 | -11.2 | -179.9 | -79.1 | 177.8 | -4.6 | 0 | 0 | 114.4 | L354 E355 P360 | L354-Q358 VanDerWaalsContact O-CB 3.26Å; L354-Q358 WeakPolarHBondContact O-CB 3.36Å; L354-Q358 WeakPolarHBondContact O-CG 3.4Å; L354-Q358 PolarHBondContact O-N 3.4Å; E355-Q358 PolarHBondContact O-N 3.49Å; Q358-P360 WeakPolarHBondContact O-CD 3.39Å |
| 359 | A | 41.9 | Very low | 42.6 | Very low | 61 Ų | 61 | 114.7 Ų | 114.7 | 50% | 0.504 | 63% | 0.632 | S | S | . | * | S | Bend | trans | -65.9 | 123.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | R361 | A359-R361 PolarHBondContact O-N 3.03Å; A359-R361 VanDerWaalsContact O-N 3.12Å |
| 360 | P | 41 | Very low | 42.1 | Very low | 110 Ų | 110 | 117.4 Ų | 117.4 | 71% | 0.714 | 65% | 0.651 | S | S | * | * | trans | -64.7 | 114.8 | 171.4 | 25.6 | -30.3 | 0 | 0 | 0 | 108.3 | Q358 Q362 | Q358-P360 WeakPolarHBondContact O-CD 3.39Å; P360-Q362 VanDerWaalsContact C-N 3.26Å; P360-Q362 PolarHBondContact O-N 3.46Å | ||
| 361 | R | 49.6 | Very low | 41 | Very low | 215 Ų | 215 | 130.4 Ų | 130.4 | 81% | 0.811 | 70% | 0.695 | S | S | * | * | trans | -70 | 87.8 | 171.4 | -72.5 | -161.7 | 177.3 | -162.3 | 0.9 | 108.5 | A359 G363 | A359-R361 PolarHBondContact O-N 3.03Å; A359-R361 VanDerWaalsContact O-N 3.12Å; R361-G363 PolarHBondContact O-N 3.13Å | ||
| 362 | Q | 40.8 | Very low | 40.8 | Very low | 175 Ų | 175 | 130.3 Ų | 130.3 | 82% | 0.818 | 70% | 0.699 | S | S | * | * | trans | -60.8 | 131.1 | 161.9 | -64.8 | -172.1 | 7.9 | 0 | 0 | 107.5 | P360 | P360-Q362 VanDerWaalsContact C-N 3.26Å; P360-Q362 PolarHBondContact O-N 3.46Å | ||
| 363 | G | 34.1 | Very low | 40.5 | Very low | 84 Ų | 84 | 130.1 Ų | 130.1 | 87% | 0.866 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -55.9 | 154.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | R361 | R361-G363 PolarHBondContact O-N 3.13Š|
| 364 | G | 35.1 | Very low | 39.8 | Very low | 68 Ų | 68 | 132.2 Ų | 132.2 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 120.7 | 109.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 365 | Q | 32.1 | Very low | 39.3 | Very low | 191 Ų | 191 | 137.3 Ų | 137.3 | 89% | 0.893 | 74% | 0.743 | S | S | * | * | trans | 35 | 102.9 | 152.5 | -73.3 | 172.8 | -32.5 | 0 | 0 | 117.9 | ||||
| 366 | L | 35.5 | Very low | 38.6 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 61% | 0.613 | 75% | 0.752 | S | S | * | * | trans | -108.7 | 94.8 | 155.4 | -87.3 | 158.7 | 0 | 0 | 0 | 109.5 | F368 | L366-F368 HydrophobicContact CB-CD2 4.24Å; L366-F368 HydrophobicContact CB-CE2 4.01Å; L366-F368 HydrophobicContact CD1-CE2 4.36Å; L366-F368 HydrophobicContact CD2-CE2 3.86Å; L366-F368 HydrophobicContact CD2-CZ 4.18Å; L366-F368 HydrophobicContact CG-CE2 4.3Å | ||
| 367 | C | 28.6 | Very low | 37.5 | Very low | 122 Ų | 122 | 139 Ų | 139 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | trans | -69.2 | 118.7 | 155.7 | -75.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 368 | F | 36.3 | Very low | 36.7 | Very low | 178 Ų | 178 | 143.2 Ų | 143.2 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | trans | -101.3 | 109.2 | 164.1 | -86.1 | -84.4 | 0 | 0 | 0 | 109.3 | L366 | L366-F368 HydrophobicContact CB-CD2 4.24Å; L366-F368 HydrophobicContact CB-CE2 4.01Å; L366-F368 HydrophobicContact CD1-CE2 4.36Å; L366-F368 HydrophobicContact CD2-CE2 3.86Å; L366-F368 HydrophobicContact CD2-CZ 4.18Å; L366-F368 HydrophobicContact CG-CE2 4.3Å | ||
| 369 | C | 25.8 | Very low | 35.7 | Very low | 131 Ų | 131 | 143.7 Ų | 143.7 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | trans | -82.8 | 117.4 | 162.1 | -157.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 370 | A | 36.2 | Very low | 35.2 | Very low | 97 Ų | 97 | 150.6 Ų | 150.6 | 80% | 0.802 | 83% | 0.826 | S | S | * | * | trans | -82 | 131.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 371 | R | 27.5 | Very low | 34.7 | Very low | 319 Ų | 319 | 154.3 Ų | 154.3 | 100% | 1.204 | 84% | 0.836 | S | S | * | * | trans | -80.4 | 0 | 157 | -91.3 | -173.5 | -175.4 | -177.1 | 2 | 109.9 |
Retrieved 371 of 371 residues in 84.3 ms
(Link to these results)