| 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 | 39.9 | Very low | 37.1 | Very low | 227 Ų | 227 | 140.6 Ų | 140.6 | 100% | 1.118 | 82% | 0.82 | S | S | * | * | 0 | 105 | 0 | -146.4 | 169.3 | -167.5 | 0 | 0 | 104.7 | |||||
| 2 | F | 40.6 | Very low | 36.7 | Very low | 200 Ų | 200 | 146.2 Ų | 146.2 | 88% | 0.877 | 83% | 0.827 | S | S | * | * | trans | 62.9 | 100.8 | -172.3 | -58.6 | -82.9 | 0 | 0 | 0 | 115 | ||||
| 3 | S | 33.5 | Very low | 36.7 | Very low | 114 Ų | 114 | 144.5 Ų | 144.5 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | cis | 66.7 | 118.6 | 24.5 | -162.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 4 | A | 37.5 | Very low | 36.2 | Very low | 98 Ų | 98 | 145.8 Ų | 145.8 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | trans | 68.4 | 145.1 | 155 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 5 | A | 38.5 | Very low | 36 | Very low | 87 Ų | 87 | 146.3 Ų | 146.3 | 72% | 0.719 | 82% | 0.817 | S | S | * | * | cis | -155.1 | 165.1 | 6.6 | 0 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 6 | E | 40.5 | Very low | 35.7 | Very low | 174 Ų | 174 | 146.7 Ų | 146.7 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | -170.3 | 124.2 | 73.8 | -83.6 | 172.9 | 158.9 | 0 | 0 | 108.7 | |||||
| 7 | D | 37.3 | Very low | 35.6 | Very low | 167 Ų | 167 | 145.8 Ų | 145.8 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -62.8 | 131.6 | 157.4 | -84.7 | -47.4 | 0 | 0 | 0 | 109.5 | ||||
| 8 | I | 38 | Very low | 35.4 | Very low | 143 Ų | 143 | 143.6 Ų | 143.6 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | trans | -124.5 | 90.8 | 157 | -62.4 | 178.5 | 0 | 0 | 0 | 106.8 | V10 | I8-V10 HydrophobicContact CG2-CG2 3.77Š| ||
| 9 | G | 30.5 | Very low | 35.3 | Very low | 74 Ų | 74 | 143.6 Ų | 143.6 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | trans | -78.2 | 124 | 156.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 10 | V | 38 | Very low | 35.4 | Very low | 126 Ų | 126 | 143 Ų | 143 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | trans | -115.1 | 103.7 | 164.4 | 178.5 | 0 | 0 | 0 | 0 | 107.6 | I8 | I8-V10 HydrophobicContact CG2-CG2 3.77Š| ||
| 11 | D | 33.4 | Very low | 35.3 | Very low | 137 Ų | 137 | 140.4 Ų | 140.4 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | trans | 25.4 | 125.6 | 144.3 | -91.7 | -32.5 | 0 | 0 | 0 | 121 | T13 | D11-T13 PolarHBondContact O-N 3.45Š| ||
| 12 | K | 32.6 | Very low | 34.9 | Very low | 207 Ų | 207 | 136.1 Ų | 136.1 | 90% | 0.9 | 78% | 0.775 | S | S | * | * | trans | -59.8 | 109.6 | 147.3 | -65.8 | 171 | 174.5 | 177 | 0 | 108.6 | ||||
| 13 | T | 37.1 | Very low | 34.5 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | trans | -119.6 | 119.7 | 155.2 | 46.4 | 0 | 0 | 0 | 0 | 109 | D11 N15 | D11-T13 PolarHBondContact O-N 3.45Å; T13-N15 PolarHBondContact O-N 3.15Å | ||
| 14 | E | 29.2 | Very low | 34.7 | Very low | 163 Ų | 163 | 134.3 Ų | 134.3 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | -42.3 | 120.4 | 168 | -67.5 | 164.3 | 126 | 0 | 0 | 111.3 | ||||
| 15 | N | 33.2 | Very low | 34.7 | Very low | 153 Ų | 153 | 138.5 Ų | 138.5 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -112.8 | 83.8 | 148.1 | -111.7 | -0.4 | 0 | 0 | 0 | 106.4 | T13 N17 | T13-N15 PolarHBondContact O-N 3.15Å; N15-N17 VanDerWaalsContact C-N 3.3Å; N15-N17 PolarHBondContact O-N 2.97Å; N15-N17 VanDerWaalsContact O-N 3.1Å | ||
| 16 | Q | 31.4 | Very low | 35.6 | Very low | 153 Ų | 153 | 138.8 Ų | 138.8 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | trans | -63.8 | 99.5 | 154.3 | -65.8 | 179.1 | 12.4 | 0 | 0 | 105.9 | P18 | Q16-P18 WeakPolarHBondContact O-CD 3.47Š| ||
| 17 | N | 34.4 | Very low | 36.7 | Very low | 131 Ų | 131 | 137 Ų | 137 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | -83.5 | 109.2 | 160.3 | -118.6 | 16.2 | 0 | 0 | 0 | 105.9 | N15 D19 | N15-N17 VanDerWaalsContact C-N 3.3Å; N15-N17 PolarHBondContact O-N 2.97Å; N15-N17 VanDerWaalsContact O-N 3.1Å; N17-D19 VanDerWaalsContact C-N 3.3Å; N17-D19 PolarHBondContact O-N 3.29Å | ||
| 18 | P | 30.9 | Very low | 38.2 | Very low | 107 Ų | 107 | 132 Ų | 132 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | trans | -91.3 | 17.4 | -177.3 | 32.6 | -21.9 | 0 | 0 | 0 | 113.2 | Q16 | Q16-P18 WeakPolarHBondContact O-CD 3.47Š| ||
| 19 | D | 35 | Very low | 40.1 | Very low | 143 Ų | 143 | 128 Ų | 128 | 77% | 0.765 | 71% | 0.706 | S | S | * | * | trans | -125 | 33.9 | -170.5 | -66.4 | -36.4 | 0 | 0 | 0 | 114.5 | N17 A21 | N17-D19 VanDerWaalsContact C-N 3.3Å; N17-D19 PolarHBondContact O-N 3.29Å; D19-A21 VanDerWaalsContact C-N 3.31Å; D19-A21 PolarHBondContact O-N 3Å | ||
| 20 | V | 36.3 | Very low | 42.5 | Very low | 132 Ų | 132 | 124.7 Ų | 124.7 | 80% | 0.8 | 67% | 0.67 | S | S | * | * | trans | -91.5 | 83.4 | 155.3 | -173.2 | 0 | 0 | 0 | 0 | 106.2 | D22 | V20-D22 PolarHBondContact O-N 3.3Š| ||
| 21 | A | 33.3 | Very low | 44.8 | Very low | 88 Ų | 88 | 122.2 Ų | 122.2 | 73% | 0.727 | 66% | 0.658 | S | S | * | * | trans | -49.1 | 124.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | D19 E23 | D19-A21 VanDerWaalsContact C-N 3.31Å; D19-A21 PolarHBondContact O-N 3Å; A21-E23 PolarHBondContact O-N 3.33Å; A21-E23 VanDerWaalsContact O-N 3.14Å | ||
| 22 | D | 31.1 | Very low | 47.5 | Very low | 138 Ų | 138 | 120.2 Ų | 120.2 | 74% | 0.738 | 64% | 0.641 | S | S | * | * | trans | -37.3 | 116.4 | 172.3 | -80 | -58.8 | 0 | 0 | 0 | 110.3 | V20 | V20-D22 PolarHBondContact O-N 3.3Š| ||
| 23 | E | 32 | Very low | 50.3 | Low | 171 Ų | 171 | 110.3 Ų | 110.3 | 80% | 0.799 | 60% | 0.598 | S | S | * | * | trans | -51.6 | 135.6 | 156.5 | -74.2 | -173 | 168.8 | 0 | 0 | 106.6 | A21 K25 | A21-E23 PolarHBondContact O-N 3.33Å; A21-E23 VanDerWaalsContact O-N 3.14Å; E23-K25 PolarHBondContact O-N 3.38Å | ||
| 24 | P | 37.5 | Very low | 53 | Low | 105 Ų | 105 | 105.2 Ų | 105.2 | 68% | 0.682 | 57% | 0.566 | S | S | * | * | trans | -53.2 | 118.8 | 179.8 | 23.3 | -31.3 | 0 | 0 | 0 | 106.8 | D26 | P24-D26 PolarHBondContact O-N 3.01Š| ||
| 25 | K | 39 | Very low | 56.1 | Low | 186 Ų | 186 | 97.6 Ų | 97.6 | 81% | 0.809 | 53% | 0.53 | S | S | * | . | trans | -65.7 | 81.9 | 169.9 | -78.2 | 179.4 | -176.5 | 164.2 | 0 | 106.4 | E23 D27 | E23-K25 PolarHBondContact O-N 3.38Å; K25-D27 PolarHBondContact O-N 2.95Å | ||
| 26 | D | 56.1 | Low | 59 | Low | 92 Ų | 92 | 90.9 Ų | 90.9 | 49% | 0.492 | 49% | 0.494 | S | S | . | . | trans | -62.3 | 102 | 175.2 | -117.8 | 22.4 | 0 | 0 | 0 | 105.3 | P24 F28 R183 | P24-D26 PolarHBondContact O-N 3.01Å; D26-F28 HydrophobicContact CB-CD2 3.62Å; D26-F28 HydrophobicContact CB-CE2 4.04Å; D26-F28 VanDerWaalsContact CG-CD2 3.41Å; D26-F28 PolarHBondContact O-N 3.47Å; D26-F28 WeakPolarHBondContact OD1-CE2 3.43Å; D26-F28 VanDerWaalsContact OD2-CD2 3.26Å; D26-F28 WeakPolarHBondContact OD2-CD2 3.29Å; D26-F28 WeakPolarHBondContact OD2-CE2 3.46Å; D26-R183 IonicContact OD2-NH1 2.73Å; D26-R183 PolarHBondContact OD2-NH1 2.95Å | ||
| 27 | D | 63.5 | Low | 61.9 | Low | 138 Ų | 138 | 84.6 Ų | 84.6 | 74% | 0.738 | 47% | 0.466 | S | S | * | . | trans | -74.5 | 24.3 | -170 | -141.9 | 3.1 | 0 | 0 | 0 | 112.7 | K25 R71 | K25-D27 PolarHBondContact O-N 2.95Å; D27-R71 IonicContact OD1-NH1 3.65Å; D27-R71 IonicContact OD1-NH2 2.66Å | ||
| 28 | F | 69.2 | Low | 64.7 | Low | 60 Ų | 60 | 81.9 Ų | 81.9 | 26% | 0.263 | 45% | 0.451 | S | S | . | . | trans | -72.4 | 144.4 | -178.3 | -64 | -67.3 | 0 | 0 | 0 | 111 | D26 V30 R71 M166 R183 | D26-F28 HydrophobicContact CB-CD2 3.62Å; D26-F28 HydrophobicContact CB-CE2 4.04Å; D26-F28 VanDerWaalsContact CG-CD2 3.41Å; D26-F28 PolarHBondContact O-N 3.47Å; D26-F28 WeakPolarHBondContact OD1-CE2 3.43Å; D26-F28 VanDerWaalsContact OD2-CD2 3.26Å; D26-F28 WeakPolarHBondContact OD2-CD2 3.29Å; D26-F28 WeakPolarHBondContact OD2-CE2 3.46Å; F28-V30 PolarHBondContact O-N 2.74Å; F28-R71 WeakPolarHBondContact O-CD 3.31Å; F28-R71 PolarHBondContact O-NH1 3.4Å; F28-M166 HydrophobicContact CD1-SD 3.84Å; F28-M166 HydrophobicContact CE1-CE 4.38Å; F28-M166 HydrophobicContact CE1-CG 4.22Å; F28-M166 HydrophobicContact CE1-SD 3.1Å; F28-M166 WeakPolarHBondContact CE1-SD 3.03Å; F28-M166 HydrophobicContact CZ-CE 4.42Å; F28-M166 HydrophobicContact CZ-SD 3.57Å; F28-M166 VanDerWaalsContact CZ-SD 3.57Å; F28-R183 VanDerWaalsContact CG-CZ 3.4Å | ||
| 29 | P | 77.6 | Confident | 67.6 | Low | 61 Ų | 61 | 76.9 Ų | 76.9 | 40% | 0.396 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -66.5 | -22.6 | -177.6 | 26.8 | -34.8 | 0 | 0 | 0 | 112.3 | R71 T143 I164 | P29-R71 WeakPolarHBondContact O-CB 3.35Å; P29-T143 HydrophobicContact CB-CG2 4.08Å; P29-T143 HydrophobicContact CG-CG2 4.03Å; P29-I164 HydrophobicContact CG-CD1 3.72Å |
| 30 | V | 82.3 | Confident | 70.3 | Confident | 4 Ų | 4 | 71.9 Ų | 71.9 | 2% | 0.024 | 39% | 0.391 | C | S | . | . | trans | -127.3 | 120.9 | 178.4 | -179 | 0 | 0 | 0 | 0 | 109.4 | F28 V33 R71 V73 V145 I164 | F28-V30 PolarHBondContact O-N 2.74Å; V30-V33 HydrophobicContact CG1-CG2 4.09Å; V30-R71 WeakPolarHBondContact CA-O 3.31Å; V30-V73 HydrophobicContact CB-CG2 4.44Å; V30-V73 HydrophobicContact CG1-CB 4.4Å; V30-V73 HydrophobicContact CG1-CG2 3.72Å; V30-V73 HydrophobicContact CG2-CG2 3.83Å; V30-V145 HydrophobicContact CG1-CG2 4.48Å; V30-V145 HydrophobicContact CG2-CG2 4.12Å; V30-I164 HydrophobicContact CB-CD1 3.97Å; V30-I164 HydrophobicContact CG2-CD1 3.84Å | ||
| 31 | S | 85.3 | Confident | 72.8 | Confident | 73 Ų | 73 | 71 Ų | 71 | 51% | 0.51 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -84.7 | -42.5 | 177.5 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | R71 | S31-R71 PolarHBondContact N-O 2.94Š|
| 32 | R | 90.2 | Very high | 75.7 | Confident | 95 Ų | 95 | 68.7 Ų | 68.7 | 36% | 0.358 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 149.7 | -173.7 | -168.3 | -175.4 | -172.4 | 160.5 | 15.9 | 111.5 | V72 V73 P184 | R32-V72 HydrophobicContact CB-CG1 4.45Å; R32-V72 HydrophobicContact CB-CG2 4.26Å; R32-V72 WeakPolarHBondContact O-CA 3.33Å; R32-V73 PolarHBondContact O-N 3.43Å; R32-P184 HydrophobicContact CG-CB 4.47Å; R32-P184 WeakPolarHBondContact CG-O 3.17Å |
| 33 | V | 92.8 | Very high | 78.6 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 125.6 | 174.5 | -174 | 0 | 0 | 0 | 0 | 109.8 | V30 V35 V75 V145 I147 A162 P184 S185 K186 | V30-V33 HydrophobicContact CG1-CG2 4.09Å; V33-V35 HydrophobicContact CG1-CG2 3.98Å; V33-V75 HydrophobicContact CG1-CG2 4.12Å; V33-V145 HydrophobicContact CG1-CG1 4.42Å; V33-V145 HydrophobicContact CG2-CG1 3.83Å; V33-I147 HydrophobicContact CG1-CD1 3.84Å; V33-A162 HydrophobicContact CB-CB 4.01Å; V33-A162 HydrophobicContact CG1-CB 4.37Å; V33-A162 HydrophobicContact CG2-CB 3.85Å; V33-P184 PolarHBondContact N-O 3.47Å; V33-S185 CarbonylContact O-C 3.57Å; V33-S185 WeakPolarHBondContact O-CA 3.4Å; V33-K186 PolarHBondContact O-N 3.29Å |
| 34 | I | 93.9 | Very high | 81.4 | Confident | 17 Ų | 17 | 56.5 Ų | 56.5 | 9% | 0.087 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 128.1 | 173.7 | -62.1 | 170.9 | 0 | 0 | 0 | 107.5 | V72 V73 V75 K186 E188 | I34-V72 HydrophobicContact CD1-CG1 3.49Å; I34-V72 VanDerWaalsContact CD1-CG1 3.49Å; I34-V72 HydrophobicContact CG1-CG1 3.84Å; I34-V73 PolarHBondContact N-O 3.5Å; I34-V75 PolarHBondContact O-N 3.43Å; I34-K186 CarbonylContact C-O 3.58Å; I34-K186 WeakPolarHBondContact CA-O 3.26Å; I34-E188 HydrophobicContact CG2-CB 3.62Å; I34-E188 HydrophobicContact CG2-CG 3.82Å |
| 35 | V | 94 | Very high | 84 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 126.3 | -178.1 | -174.6 | 0 | 0 | 0 | 0 | 109.9 | V33 V39 V75 I147 L160 K186 V187 E188 | V33-V35 HydrophobicContact CG1-CG2 3.98Å; V35-V39 HydrophobicContact CG1-CB 3.93Å; V35-V39 HydrophobicContact CG1-CG1 4.07Å; V35-V39 HydrophobicContact CG1-CG2 4.43Å; V35-V75 HydrophobicContact CG2-CB 4.48Å; V35-V75 HydrophobicContact CG2-CG2 4.39Å; V35-I147 HydrophobicContact CG2-CD1 3.67Å; V35-L160 HydrophobicContact CB-CD2 3.97Å; V35-L160 HydrophobicContact CG2-CD1 3.87Å; V35-L160 HydrophobicContact CG2-CD2 3.83Å; V35-K186 PolarHBondContact N-O 2.92Å; V35-V187 VanDerWaalsContact O-CA 3.29Å; V35-V187 WeakPolarHBondContact O-CA 3.21Å; V35-E188 PolarHBondContact O-N 3.38Å |
| 36 | H | 93.5 | Very high | 86.5 | Confident | 13 Ų | 13 | 47.6 Ų | 47.6 | 6% | 0.06 | 26% | 0.257 | C | S | . | . | trans | -72.1 | 141.3 | 173.8 | -77.7 | -140.6 | 0 | 0 | 0 | 111.7 | L38 V39 N74 V75 E188 E193 | H36-L38 PolarHBondContact O-N 3.44Å; H36-L38 VanDerWaalsContact O-N 3.15Å; H36-V39 HydrophobicContact CB-CG2 4.39Å; H36-V39 WeakPolarHBondContact O-CB 3.31Å; H36-V39 PolarHBondContact O-N 2.99Å; H36-N74 PolarHBondContact CD2-OD1 3.5Å; H36-N74 VanDerWaalsContact CD2-OD1 3.25Å; H36-N74 PolarHBondContact NE2-ND2 2.88Å; H36-N74 PolarHBondContact NE2-OD1 3.07Å; H36-V75 WeakPolarHBondContact CB-O 3.35Å; H36-V75 PolarHBondContact CD2-O 3.44Å; H36-V75 VanDerWaalsContact CD2-O 3.32Å; H36-V75 PolarHBondContact N-O 3.29Å; H36-E188 WeakPolarHBondContact CA-O 3.35Å; H36-E193 IonicContact CE1-OE1 2.96Å; H36-E193 IonicContact CG-OE1 3.85Å; H36-E193 IonicContact ND1-OE1 2.67Å; H36-E193 PolarHBondContact ND1-OE1 2.97Å; H36-E193 IonicContact ND1-OE2 2.7Å | ||
| 37 | P | 92 | Very high | 88.1 | Confident | 20 Ų | 20 | 44.8 Ų | 44.8 | 13% | 0.13 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -53.2 | -32 | 174.5 | -26.5 | 30.8 | 0 | 0 | 0 | 114.7 | V39 M40 L41 V187 E188 S189 E193 V197 | P37-V39 PolarHBondContact O-N 2.95Å; P37-M40 HydrophobicContact CB-CE 4.27Å; P37-M40 PolarHBondContact O-N 3.37Å; P37-M40 VanDerWaalsContact O-N 3.16Å; P37-L41 PolarHBondContact O-N 2.91Å; P37-L41 VanDerWaalsContact O-N 3.1Å; P37-V187 HydrophobicContact CG-CG1 3.9Å; P37-E188 VanDerWaalsContact CD-O 3.29Å; P37-E188 WeakPolarHBondContact CD-O 3.5Å; P37-S189 VanDerWaalsContact CG-OG 3.26Å; P37-S189 WeakPolarHBondContact CG-OG 3.3Å; P37-E193 VanDerWaalsContact CD-OE2 3.3Å; P37-E193 WeakPolarHBondContact CD-OE2 3.45Å; P37-V197 HydrophobicContact CB-CG2 4.09Å; P37-V197 HydrophobicContact CG-CG2 4.37Å |
| 38 | L | 92.7 | Very high | 89.4 | Confident | 74 Ų | 74 | 41.8 Ų | 41.8 | 39% | 0.387 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -55.3 | -39.7 | 176 | -174.2 | 68.3 | 0 | 0 | 0 | 112.5 | H36 L41 S42 E193 | H36-L38 PolarHBondContact O-N 3.44Å; H36-L38 VanDerWaalsContact O-N 3.15Å; L38-L41 PolarHBondContact O-N 3.44Å; L38-S42 WeakPolarHBondContact O-CB 3.27Å; L38-S42 PolarHBondContact O-N 2.97Å; L38-S42 PolarHBondContact O-OG 3.46Å; L38-S42 VanDerWaalsContact O-OG 3.08Å; L38-E193 PolarHBondContact N-OE2 2.94Å |
| 39 | V | 92.8 | Very high | 90.4 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.6 | -47 | 178.8 | 177.1 | 0 | 0 | 0 | 0 | 109.9 | V35 H36 P37 L41 S42 V43 L63 V75 C78 | V35-V39 HydrophobicContact CG1-CB 3.93Å; V35-V39 HydrophobicContact CG1-CG1 4.07Å; V35-V39 HydrophobicContact CG1-CG2 4.43Å; H36-V39 HydrophobicContact CB-CG2 4.39Å; H36-V39 WeakPolarHBondContact O-CB 3.31Å; H36-V39 PolarHBondContact O-N 2.99Å; P37-V39 PolarHBondContact O-N 2.95Å; V39-L41 VanDerWaalsContact C-N 3.32Å; V39-L41 PolarHBondContact O-N 2.88Å; V39-S42 PolarHBondContact O-N 3.29Å; V39-V43 HydrophobicContact CG1-CG2 4.43Å; V39-V43 VanDerWaalsContact O-CG2 3.29Å; V39-V43 WeakPolarHBondContact O-CG2 3.48Å; V39-V43 PolarHBondContact O-N 3.49Å; V39-L63 HydrophobicContact CG1-CD2 3.93Å; V39-V75 HydrophobicContact CG1-CG1 4.24Å; V39-V75 HydrophobicContact CG2-CG1 3.85Å; V39-C78 HydrophobicContact CG1-CB 4Å |
| 40 | M | 90.5 | Very high | 90.9 | Very high | 37 Ų | 37 | 45.6 Ų | 45.6 | 18% | 0.182 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61 | -42.5 | 179.2 | -64.3 | -170.9 | -71 | 0 | 0 | 111.8 | P37 V43 V44 P159 V187 | P37-M40 HydrophobicContact CB-CE 4.27Å; P37-M40 PolarHBondContact O-N 3.37Å; P37-M40 VanDerWaalsContact O-N 3.16Å; M40-V43 PolarHBondContact O-N 3.3Å; M40-V44 WeakPolarHBondContact O-CG2 3.31Å; M40-V44 PolarHBondContact O-N 3.46Å; M40-V44 VanDerWaalsContact O-N 3.11Å; M40-P159 HydrophobicContact SD-CG 4.19Å; M40-V187 HydrophobicContact CE-CB 4.31Å; M40-V187 HydrophobicContact CE-CG1 3.5Å; M40-V187 VanDerWaalsContact CE-CG1 3.5Å; M40-V187 HydrophobicContact CE-CG2 3.8Å; M40-V187 HydrophobicContact SD-CG2 4.01Å |
| 41 | L | 90.5 | Very high | 91.1 | Very high | 113 Ų | 113 | 50.9 Ų | 50.9 | 59% | 0.592 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -63 | -43.5 | 177.1 | -175.5 | 64.6 | 0 | 0 | 0 | 111.4 | P37 L38 V39 V44 D45 | P37-L41 PolarHBondContact O-N 2.91Å; P37-L41 VanDerWaalsContact O-N 3.1Å; L38-L41 PolarHBondContact O-N 3.44Å; V39-L41 VanDerWaalsContact C-N 3.32Å; V39-L41 PolarHBondContact O-N 2.88Å; L41-V44 PolarHBondContact O-N 2.94Å; L41-D45 PolarHBondContact O-N 3.04Å |
| 42 | S | 93 | Very high | 91.2 | Very high | 40 Ų | 40 | 55.9 Ų | 55.9 | 28% | 0.28 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 178 | -68.6 | 0 | 0 | 0 | 0 | 112.6 | L38 V39 D45 H46 C78 | L38-S42 WeakPolarHBondContact O-CB 3.27Å; L38-S42 PolarHBondContact O-N 2.97Å; L38-S42 PolarHBondContact O-OG 3.46Å; L38-S42 VanDerWaalsContact O-OG 3.08Å; V39-S42 PolarHBondContact O-N 3.29Å; S42-D45 PolarHBondContact O-N 2.99Å; S42-H46 VanDerWaalsContact O-CB 3.28Å; S42-H46 WeakPolarHBondContact O-CB 3.47Å; S42-H46 PolarHBondContact O-N 3.21Å; S42-C78 WeakPolarHBondContact CB-SG 3.27Å |
| 43 | V | 92.4 | Very high | 91 | Very high | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 175.4 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | V39 M40 H46 F47 Y120 V149 | V39-V43 HydrophobicContact CG1-CG2 4.43Å; V39-V43 VanDerWaalsContact O-CG2 3.29Å; V39-V43 WeakPolarHBondContact O-CG2 3.48Å; V39-V43 PolarHBondContact O-N 3.49Å; M40-V43 PolarHBondContact O-N 3.3Å; V43-H46 PolarHBondContact O-N 2.91Å; V43-F47 WeakPolarHBondContact O-CB 3.42Å; V43-F47 PolarHBondContact O-N 3.02Å; V43-Y120 HydrophobicContact CB-CD2 4.32Å; V43-Y120 HydrophobicContact CB-CE2 4.11Å; V43-Y120 HydrophobicContact CG1-CD2 3.78Å; V43-Y120 HydrophobicContact CG1-CE2 3.73Å; V43-Y120 HydrophobicContact CG2-CD1 4.25Å; V43-Y120 HydrophobicContact CG2-CD2 3.55Å; V43-Y120 HydrophobicContact CG2-CE1 4.17Å; V43-Y120 HydrophobicContact CG2-CE2 3.51Å; V43-Y120 HydrophobicContact CG2-CG 3.93Å; V43-V149 HydrophobicContact CB-CG1 4.45Å; V43-V149 HydrophobicContact CG1-CB 3.94Å; V43-V149 HydrophobicContact CG1-CG1 4.12Å; V43-V149 HydrophobicContact CG1-CG2 4.32Å; V43-V149 HydrophobicContact CG2-CG2 4.34Å |
| 44 | V | 90.1 | Very high | 90.3 | Very high | 51 Ų | 51 | 59.9 Ų | 59.9 | 31% | 0.309 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.5 | -40.8 | 177.2 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | M40 L41 F47 N48 | M40-V44 WeakPolarHBondContact O-CG2 3.31Å; M40-V44 PolarHBondContact O-N 3.46Å; M40-V44 VanDerWaalsContact O-N 3.11Å; L41-V44 PolarHBondContact O-N 2.94Å; V44-F47 PolarHBondContact O-N 3.42Å; V44-N48 WeakPolarHBondContact O-CB 3.37Å; V44-N48 PolarHBondContact O-N 3.25Å; V44-N48 PolarHBondContact O-ND2 3.05Å; V44-N48 VanDerWaalsContact O-ND2 3.12Å |
| 45 | D | 92.1 | Very high | 89.7 | Confident | 72 Ų | 72 | 66.1 Ų | 66.1 | 39% | 0.385 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 173.3 | -174.6 | 57.8 | 0 | 0 | 0 | 111.2 | L41 S42 F47 N48 R49 | L41-D45 PolarHBondContact O-N 3.04Å; S42-D45 PolarHBondContact O-N 2.99Å; D45-F47 PolarHBondContact O-N 3.47Å; D45-N48 PolarHBondContact O-N 2.85Å; D45-R49 WeakPolarHBondContact O-CG 3.4Å; D45-R49 PolarHBondContact O-N 3.3Å; D45-R49 IonicContact OD1-NE 3.49Å; D45-R49 IonicContact OD1-NH2 3.65Å; D45-R49 IonicContact OD2-CZ 2.88Å; D45-R49 VanDerWaalsContact OD2-CZ 3.24Å; D45-R49 IonicContact OD2-NE 3.92Å; D45-R49 PolarHBondContact OD2-NE 2.86Å; D45-R49 IonicContact OD2-NH2 2.74Å; D45-R49 PolarHBondContact OD2-NH2 3.47Å |
| 46 | H | 92.2 | Very high | 88.6 | Confident | 31 Ų | 31 | 67.4 Ų | 67.4 | 14% | 0.144 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.7 | -47.7 | 177.3 | -175.2 | -159.9 | 0 | 0 | 0 | 111.6 | S42 V43 N48 R49 V50 V59 G80 Y120 | S42-H46 VanDerWaalsContact O-CB 3.28Å; S42-H46 WeakPolarHBondContact O-CB 3.47Å; S42-H46 PolarHBondContact O-N 3.21Å; V43-H46 PolarHBondContact O-N 2.91Å; H46-N48 VanDerWaalsContact C-N 3.33Å; H46-N48 PolarHBondContact O-N 3.35Å; H46-R49 PolarHBondContact O-N 3.28Å; H46-V50 WeakPolarHBondContact O-CG2 3.49Å; H46-V50 PolarHBondContact O-N 3.28Å; H46-V59 WeakPolarHBondContact CE1-CG1 3.45Å; H46-V59 WeakPolarHBondContact ND1-CG1 3.4Å; H46-V59 VanDerWaalsContact NE2-CG1 3.34Å; H46-V59 WeakPolarHBondContact NE2-CG1 3.2Å; H46-G80 WeakPolarHBondContact CE1-CA 3.39Å; H46-G80 VanDerWaalsContact ND1-CA 3.28Å; H46-G80 WeakPolarHBondContact ND1-CA 3.43Å; H46-Y120 AromaticContact ND1-CZ 3.98Å; H46-Y120 PolarHBondContact ND1-OH 3.33Å |
| 47 | F | 90.6 | Very high | 87.9 | Confident | 34 Ų | 34 | 70.6 Ų | 70.6 | 15% | 0.149 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -55.8 | -47.5 | 174.6 | 179.9 | -98.3 | 0 | 0 | 0 | 111.7 | V43 V44 D45 R49 V50 Y51 V59 A151 | V43-F47 WeakPolarHBondContact O-CB 3.42Å; V43-F47 PolarHBondContact O-N 3.02Å; V44-F47 PolarHBondContact O-N 3.42Å; D45-F47 PolarHBondContact O-N 3.47Å; F47-R49 VanDerWaalsContact C-N 3.34Å; F47-R49 PolarHBondContact O-N 2.93Å; F47-V50 PolarHBondContact O-N 3.48Å; F47-Y51 HydrophobicContact CZ-CD2 4.17Å; F47-Y51 WeakPolarHBondContact O-CB 3.42Å; F47-Y51 PolarHBondContact O-N 2.92Å; F47-V59 HydrophobicContact CD2-CG2 4.1Å; F47-A151 HydrophobicContact CD1-CB 3.8Å; F47-A151 HydrophobicContact CD2-CB 4.2Å; F47-A151 HydrophobicContact CE1-CB 4.02Å; F47-A151 HydrophobicContact CE2-CB 4.4Å; F47-A151 HydrophobicContact CG-CB 3.89Å; F47-A151 HydrophobicContact CZ-CB 4.32Å |
| 48 | N | 90.2 | Very high | 87.6 | Confident | 74 Ų | 74 | 70 Ų | 70 | 40% | 0.396 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.2 | -33.8 | 179.9 | -76.4 | -37 | 0 | 0 | 0 | 113.5 | V44 D45 H46 K52 | V44-N48 WeakPolarHBondContact O-CB 3.37Å; V44-N48 PolarHBondContact O-N 3.25Å; V44-N48 PolarHBondContact O-ND2 3.05Å; V44-N48 VanDerWaalsContact O-ND2 3.12Å; D45-N48 PolarHBondContact O-N 2.85Å; H46-N48 VanDerWaalsContact C-N 3.33Å; H46-N48 PolarHBondContact O-N 3.35Å; N48-K52 WeakPolarHBondContact O-CD 3.48Å; N48-K52 VanDerWaalsContact O-CG 3.24Å; N48-K52 WeakPolarHBondContact O-CG 3.36Å; N48-K52 PolarHBondContact O-N 3.21Å |
| 49 | R | 90.3 | Very high | 87.5 | Confident | 167 Ų | 167 | 66.7 Ų | 66.7 | 63% | 0.63 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -68.3 | -48.6 | 176.3 | -72.1 | 177.7 | -169.7 | -122.7 | 4.3 | 111.5 | D45 H46 F47 K52 A53 | D45-R49 WeakPolarHBondContact O-CG 3.4Å; D45-R49 PolarHBondContact O-N 3.3Å; D45-R49 IonicContact OD1-NE 3.49Å; D45-R49 IonicContact OD1-NH2 3.65Å; D45-R49 IonicContact OD2-CZ 2.88Å; D45-R49 VanDerWaalsContact OD2-CZ 3.24Å; D45-R49 IonicContact OD2-NE 3.92Å; D45-R49 PolarHBondContact OD2-NE 2.86Å; D45-R49 IonicContact OD2-NH2 2.74Å; D45-R49 PolarHBondContact OD2-NH2 3.47Å; H46-R49 PolarHBondContact O-N 3.28Å; F47-R49 VanDerWaalsContact C-N 3.34Å; F47-R49 PolarHBondContact O-N 2.93Å; R49-K52 PolarHBondContact O-N 3.19Å; R49-A53 PolarHBondContact O-N 3.47Å |
| 50 | V | 88.1 | Confident | 87.6 | Confident | 34 Ų | 34 | 66.5 Ų | 66.5 | 21% | 0.206 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69.7 | -42.1 | -178.4 | 178.1 | 0 | 0 | 0 | 0 | 110.8 | H46 F47 K52 A53 T54 A56 V59 | H46-V50 WeakPolarHBondContact O-CG2 3.49Å; H46-V50 PolarHBondContact O-N 3.28Å; F47-V50 PolarHBondContact O-N 3.48Å; V50-K52 VanDerWaalsContact C-N 3.26Å; V50-K52 PolarHBondContact O-N 3.25Å; V50-A53 PolarHBondContact O-N 3.45Å; V50-T54 PolarHBondContact O-N 2.95Å; V50-A56 HydrophobicContact CG1-CB 4.07Å; V50-V59 HydrophobicContact CB-CG2 3.78Å; V50-V59 HydrophobicContact CG1-CG2 3.9Å; V50-V59 HydrophobicContact CG2-CG1 4.33Å; V50-V59 HydrophobicContact CG2-CG2 4.11Å |
| 51 | Y | 85.6 | Confident | 87.7 | Confident | 115 Ų | 115 | 64.8 Ų | 64.8 | 45% | 0.451 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.8 | -36.6 | 179.1 | -173.6 | -99.6 | 0 | 0 | 0 | 112.3 | F47 A53 Q55 | F47-Y51 HydrophobicContact CZ-CD2 4.17Å; F47-Y51 WeakPolarHBondContact O-CB 3.42Å; F47-Y51 PolarHBondContact O-N 2.92Å; Y51-A53 VanDerWaalsContact C-N 3.34Å; Y51-Q55 VanDerWaalsContact O-CA 3.3Å; Y51-Q55 WeakPolarHBondContact O-CA 3.22Å; Y51-Q55 PolarHBondContact O-N 2.98Å; Y51-Q55 VanDerWaalsContact O-N 3.09Å |
| 52 | K | 87.4 | Confident | 88 | Confident | 178 Ų | 178 | 59.4 Ų | 59.4 | 77% | 0.774 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -68.8 | -30.3 | 174.7 | -74.9 | 173.9 | -176.5 | 177.2 | 0 | 113.4 | N48 R49 V50 | N48-K52 WeakPolarHBondContact O-CD 3.48Å; N48-K52 VanDerWaalsContact O-CG 3.24Å; N48-K52 WeakPolarHBondContact O-CG 3.36Å; N48-K52 PolarHBondContact O-N 3.21Å; R49-K52 PolarHBondContact O-N 3.19Å; V50-K52 VanDerWaalsContact C-N 3.26Å; V50-K52 PolarHBondContact O-N 3.25Å |
| 53 | A | 85.6 | Confident | 88.1 | Confident | 83 Ų | 83 | 57.6 Ų | 57.6 | 69% | 0.686 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -87.1 | -48.2 | -176 | 0 | 0 | 0 | 0 | 0 | 112.5 | R49 V50 Y51 | R49-A53 PolarHBondContact O-N 3.47Å; V50-A53 PolarHBondContact O-N 3.45Å; Y51-A53 VanDerWaalsContact C-N 3.34Å |
| 54 | T | 80 | Confident | 88.2 | Confident | 96 Ų | 96 | 57.4 Ų | 57.4 | 59% | 0.589 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -120.6 | -10.1 | -167 | -45 | 0 | 0 | 0 | 0 | 112.6 | V50 A56 | V50-T54 PolarHBondContact O-N 2.95Å; T54-A56 HydrophobicContact CG2-CB 4.39Å; T54-A56 PolarHBondContact O-N 3.34Å; T54-A56 VanDerWaalsContact O-N 3.09Å |
| 55 | Q | 79.3 | Confident | 88.4 | Confident | 148 Ų | 148 | 55 Ų | 55 | 69% | 0.692 | 28% | 0.281 | S | S | * | . | trans | 55.3 | 17.6 | -168.8 | -58.9 | -171.4 | -35.4 | 0 | 0 | 114.2 | Y51 T57 | Y51-Q55 VanDerWaalsContact O-CA 3.3Å; Y51-Q55 WeakPolarHBondContact O-CA 3.22Å; Y51-Q55 PolarHBondContact O-N 2.98Å; Y51-Q55 VanDerWaalsContact O-N 3.09Å; Q55-T57 PolarHBondContact O-N 3.39Å | ||
| 56 | A | 72.7 | Confident | 88.4 | Confident | 29 Ų | 29 | 53.7 Ų | 53.7 | 24% | 0.24 | 28% | 0.276 | C | S | . | . | trans | -59.7 | 135.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | V50 T54 R58 | V50-A56 HydrophobicContact CG1-CB 4.07Å; T54-A56 HydrophobicContact CG2-CB 4.39Å; T54-A56 PolarHBondContact O-N 3.34Å; T54-A56 VanDerWaalsContact O-N 3.09Å; A56-R58 VanDerWaalsContact C-N 3.3Å | ||
| 57 | T | 77.1 | Confident | 88.3 | Confident | 80 Ų | 80 | 56.6 Ų | 56.6 | 49% | 0.491 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -77.2 | -23.2 | -177.4 | 59.1 | 0 | 0 | 0 | 0 | 112.1 | Q55 | Q55-T57 PolarHBondContact O-N 3.39Š|
| 58 | R | 87.1 | Confident | 88.1 | Confident | 7 Ų | 7 | 58.4 Ų | 58.4 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | trans | -130.6 | 139.3 | -173.1 | -173.6 | -178.4 | 178.3 | -170.4 | 4 | 111.4 | A56 F83 E85 H121 S122 D130 | A56-R58 VanDerWaalsContact C-N 3.3Å; R58-F83 HydrophobicContact CG-CE1 4.42Å; R58-E85 WeakPolarHBondContact CD-OE2 3.49Å; R58-E85 IonicContact NH1-OE2 2.91Å; R58-E85 PolarHBondContact NH1-OE2 3.43Å; R58-H121 HydrophobicContact CG-CB 4.42Å; R58-H121 PolarHBondContact NH2-CD2 2.89Å; R58-H121 VanDerWaalsContact NH2-CG 3.27Å; R58-S122 WeakPolarHBondContact CA-OG 3.37Å; R58-D130 IonicContact CZ-OD1 2.59Å; R58-D130 IonicContact NH1-OD1 3.24Å; R58-D130 PolarHBondContact NH1-OD1 3.42Å; R58-D130 IonicContact NH2-OD1 2.77Å; R58-D130 PolarHBondContact NH2-OD1 3.03Å; R58-D130 IonicContact NH2-OD2 3.04Å | ||
| 59 | V | 90.8 | Very high | 87.8 | Confident | 5 Ų | 5 | 61.6 Ų | 61.6 | 3% | 0.03 | 33% | 0.33 | C | S | . | . | trans | -130.2 | 135.3 | 178.7 | 178.7 | 0 | 0 | 0 | 0 | 108.3 | H46 F47 V50 H121 S122 | H46-V59 WeakPolarHBondContact CE1-CG1 3.45Å; H46-V59 WeakPolarHBondContact ND1-CG1 3.4Å; H46-V59 VanDerWaalsContact NE2-CG1 3.34Å; H46-V59 WeakPolarHBondContact NE2-CG1 3.2Å; F47-V59 HydrophobicContact CD2-CG2 4.1Å; V50-V59 HydrophobicContact CB-CG2 3.78Å; V50-V59 HydrophobicContact CG1-CG2 3.9Å; V50-V59 HydrophobicContact CG2-CG1 4.33Å; V50-V59 HydrophobicContact CG2-CG2 4.11Å; V59-H121 CarbonylContact O-C 3.49Å; V59-H121 WeakPolarHBondContact O-CA 3.5Å; V59-H121 WeakPolarHBondContact O-CB 3.5Å; V59-S122 PolarHBondContact N-OG 2.81Å; V59-S122 PolarHBondContact O-N 3.41Å | ||
| 60 | V | 93.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 145.4 | 180 | 175.9 | 0 | 0 | 0 | 0 | 109.4 | L81 F83 W119 Y120 H121 | V60-L81 PolarHBondContact O-N 2.9Å; V60-F83 HydrophobicContact CB-CB 3.91Å; V60-F83 HydrophobicContact CB-CD1 4.07Å; V60-F83 HydrophobicContact CB-CD2 4.11Å; V60-F83 HydrophobicContact CB-CG 3.75Å; V60-F83 HydrophobicContact CG2-CB 4.33Å; V60-F83 HydrophobicContact CG2-CD1 3.52Å; V60-F83 HydrophobicContact CG2-CD2 3.92Å; V60-F83 HydrophobicContact CG2-CE1 3.66Å; V60-F83 HydrophobicContact CG2-CE2 4.03Å; V60-F83 HydrophobicContact CG2-CG 3.64Å; V60-F83 HydrophobicContact CG2-CZ 3.9Å; V60-W119 HydrophobicContact CG1-CE3 3.96Å; V60-W119 HydrophobicContact CG1-CZ3 4.37Å; V60-Y120 WeakPolarHBondContact CA-O 3.37Å; V60-H121 HydrophobicContact CG2-CB 3.99Å |
| 61 | G | 94.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 176.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | F79 W119 Y120 | G61-F79 CarbonylContact C-O 3.51Å; G61-F79 VanDerWaalsContact CA-O 3.25Å; G61-F79 WeakPolarHBondContact CA-O 3.41Å; G61-W119 CarbonylContact O-C 3.56Å; G61-W119 VanDerWaalsContact O-CA 3.26Å; G61-W119 WeakPolarHBondContact O-CA 3.3Å; G61-W119 VanDerWaalsContact O-CB 3.27Å; G61-W119 WeakPolarHBondContact O-CB 3.38Å; G61-Y120 VanDerWaalsContact C-CD1 3.47Å; G61-Y120 PolarHBondContact N-O 2.97Å; G61-Y120 WeakPolarHBondContact O-CD1 3.36Å; G61-Y120 PolarHBondContact O-N 3.01Å |
| 62 | V | 95.2 | Very high | 87.6 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 141.6 | -174.6 | -179.6 | 0 | 0 | 0 | 0 | 110.1 | L64 C78 F79 L81 L100 I116 | V62-L64 HydrophobicContact CG1-CD2 4.44Å; V62-C78 VanDerWaalsContact O-CA 3.24Å; V62-C78 WeakPolarHBondContact O-CA 3.39Å; V62-C78 VanDerWaalsContact O-CB 3.32Å; V62-C78 WeakPolarHBondContact O-CB 3.35Å; V62-F79 HydrophobicContact CB-CD1 4.26Å; V62-F79 HydrophobicContact CB-CE1 3.73Å; V62-F79 HydrophobicContact CB-CE2 4.09Å; V62-F79 HydrophobicContact CB-CZ 3.63Å; V62-F79 HydrophobicContact CG1-CE1 3.89Å; V62-F79 HydrophobicContact CG1-CZ 3.99Å; V62-F79 HydrophobicContact CG2-CE1 4.44Å; V62-F79 HydrophobicContact CG2-CE2 4.05Å; V62-F79 HydrophobicContact CG2-CZ 3.84Å; V62-F79 PolarHBondContact N-O 3.3Å; V62-F79 PolarHBondContact O-N 3.38Å; V62-F79 VanDerWaalsContact O-N 3.09Å; V62-L81 HydrophobicContact CG2-CD1 3.6Å; V62-L81 HydrophobicContact CG2-CD2 3.91Å; V62-L81 HydrophobicContact CG2-CG 3.78Å; V62-L100 HydrophobicContact CG2-CD1 3.51Å; V62-L100 HydrophobicContact CG2-CG 4.25Å; V62-I116 HydrophobicContact CG1-CB 4.43Å; V62-I116 HydrophobicContact CG1-CG1 4.45Å; V62-I116 HydrophobicContact CG1-CG2 3.25Å |
| 63 | L | 95.4 | Very high | 87.9 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 129.7 | 174.3 | -62.8 | 174.3 | 0 | 0 | 0 | 110.4 | V39 V75 C78 V117 G118 W119 Y120 I147 | V39-L63 HydrophobicContact CG1-CD2 3.93Å; L63-V75 HydrophobicContact CB-CG1 4.09Å; L63-V75 HydrophobicContact CD2-CG1 3.84Å; L63-V75 HydrophobicContact CG-CG1 4.38Å; L63-C78 HydrophobicContact CD2-CB 3.87Å; L63-V117 HydrophobicContact CB-CG2 3.87Å; L63-V117 WeakPolarHBondContact O-CG2 3.48Å; L63-V117 PolarHBondContact O-N 2.83Å; L63-G118 PolarHBondContact N-O 3.47Å; L63-W119 WeakPolarHBondContact CD1-O 3.27Å; L63-Y120 HydrophobicContact CD2-CD1 3.52Å; L63-Y120 HydrophobicContact CD2-CE1 4.43Å; L63-Y120 HydrophobicContact CD2-CG 4.15Å; L63-Y120 HydrophobicContact CG-CD1 4Å; L63-I147 HydrophobicContact CD1-CB 3.89Å; L63-I147 HydrophobicContact CD1-CD1 3.46Å; L63-I147 VanDerWaalsContact CD1-CD1 3.46Å; L63-I147 HydrophobicContact CD1-CG1 3.54Å |
| 64 | L | 94.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 140.9 | 176.2 | -62.1 | 178.9 | 0 | 0 | 0 | 109.7 | V62 S76 N77 F79 Y104 F107 E114 S115 I116 | V62-L64 HydrophobicContact CG1-CD2 4.44Å; L64-S76 PolarHBondContact O-N 3.44Å; L64-N77 WeakPolarHBondContact CA-O 3.42Å; L64-N77 HydrophobicContact CB-CB 4.23Å; L64-N77 PolarHBondContact N-O 2.9Å; L64-N77 PolarHBondContact O-N 2.96Å; L64-N77 VanDerWaalsContact O-N 3.09Å; L64-F79 HydrophobicContact CD1-CD1 3.86Å; L64-F79 HydrophobicContact CD1-CE1 3.95Å; L64-F79 HydrophobicContact CD2-CE1 4.1Å; L64-F79 HydrophobicContact CG-CD1 4.17Å; L64-F79 HydrophobicContact CG-CE1 4.05Å; L64-Y104 HydrophobicContact CD2-CD2 4.11Å; L64-Y104 HydrophobicContact CD2-CE2 4.33Å; L64-F107 HydrophobicContact CD1-CB 3.87Å; L64-F107 HydrophobicContact CD1-CD1 3.94Å; L64-F107 HydrophobicContact CD1-CD2 3.91Å; L64-F107 HydrophobicContact CD1-CE1 4.49Å; L64-F107 HydrophobicContact CD1-CE2 4.46Å; L64-F107 HydrophobicContact CD1-CG 3.63Å; L64-E114 HydrophobicContact CB-CB 4.48Å; L64-S115 WeakPolarHBondContact CA-O 3.41Å; L64-I116 HydrophobicContact CD2-CB 4.45Å; L64-I116 HydrophobicContact CD2-CG1 3.98Å |
| 65 | G | 93.9 | Very high | 89 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.2 | -164.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N74 S115 | G65-N74 CarbonylContact C-O 3.57Å; G65-N74 WeakPolarHBondContact CA-O 3.49Å; G65-S115 PolarHBondContact N-O 3.33Å; G65-S115 PolarHBondContact O-N 3.08Å; G65-S115 VanDerWaalsContact O-O 3.08Å; G65-S115 PolarHBondContact O-OG 3.44Å |
| 66 | T | 92.1 | Very high | 89.6 | Confident | 45 Ų | 45 | 35.7 Ų | 35.7 | 28% | 0.276 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 140.1 | 177.5 | 54.6 | 0 | 0 | 0 | 0 | 109.7 | N74 R113 | T66-N74 PolarHBondContact N-O 2.96Å; T66-N74 PolarHBondContact O-N 3.46Å; T66-R113 WeakPolarHBondContact CG2-O 3.48Å |
| 67 | V | 90.6 | Very high | 90.6 | Very high | 91 Ų | 91 | 36 Ų | 36 | 55% | 0.552 | 20% | 0.201 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 114.8 | 171 | -174.1 | 0 | 0 | 0 | 0 | 107.3 | V73 V117 | V67-V73 HydrophobicContact CG2-CG2 4.43Å; V67-V117 HydrophobicContact CG2-CG1 4.04Å |
| 68 | M | 87.7 | Confident | 91.5 | Very high | 72 Ų | 72 | 32.5 Ų | 32.5 | 36% | 0.355 | 18% | 0.179 | S | C | . | . | trans | -77.6 | 154.1 | 178.5 | -67.1 | -171.1 | -178.9 | 0 | 0 | 110.9 | N70 R71 V72 N74 | M68-N70 WeakPolarHBondContact CB-OD1 3.49Å; M68-N70 PolarHBondContact O-N 3.38Å; M68-R71 PolarHBondContact O-N 3.35Å; M68-R71 VanDerWaalsContact O-N 3.1Å; M68-V72 HydrophobicContact CB-CB 4.41Å; M68-V72 WeakPolarHBondContact CB-O 3.5Å; M68-V72 PolarHBondContact N-O 3Å; M68-N74 HydrophobicContact CE-CB 4.13Å | ||
| 69 | P | 82.7 | Confident | 91.8 | Very high | 142 Ų | 142 | 33 Ų | 33 | 92% | 0.922 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -22.7 | -179.6 | -25.4 | 34.4 | 0 | 0 | 0 | 114.8 | R71 | P69-R71 PolarHBondContact O-N 3.02Š|
| 70 | N | 84.5 | Confident | 92 | Very high | 99 Ų | 99 | 33.7 Ų | 33.7 | 53% | 0.529 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 19 | 177.9 | 63.8 | -8.5 | 0 | 0 | 0 | 113.6 | M68 V72 | M68-N70 WeakPolarHBondContact CB-OD1 3.49Å; M68-N70 PolarHBondContact O-N 3.38Å; N70-V72 VanDerWaalsContact CG-CG2 3.5Å; N70-V72 WeakPolarHBondContact ND2-CG2 3.35Å; N70-V72 PolarHBondContact O-N 2.93Å; N70-V72 VanDerWaalsContact OD1-CB 3.27Å; N70-V72 WeakPolarHBondContact OD1-CB 3.45Å; N70-V72 WeakPolarHBondContact OD1-CG2 3.42Å; N70-V72 PolarHBondContact OD1-N 3.18Å |
| 71 | R | 85.8 | Confident | 91.9 | Very high | 111 Ų | 111 | 33.9 Ų | 33.9 | 42% | 0.419 | 19% | 0.191 | S | C | . | . | S | Bend | trans | 60.7 | 25.2 | -177 | -54.5 | -175.2 | -174.3 | -169.1 | 3.4 | 113.6 | D27 F28 P29 V30 S31 M68 P69 | D27-R71 IonicContact OD1-NH1 3.65Å; D27-R71 IonicContact OD1-NH2 2.66Å; F28-R71 WeakPolarHBondContact O-CD 3.31Å; F28-R71 PolarHBondContact O-NH1 3.4Å; P29-R71 WeakPolarHBondContact O-CB 3.35Å; V30-R71 WeakPolarHBondContact CA-O 3.31Å; S31-R71 PolarHBondContact N-O 2.94Å; M68-R71 PolarHBondContact O-N 3.35Å; M68-R71 VanDerWaalsContact O-N 3.1Å; P69-R71 PolarHBondContact O-N 3.02Å |
| 72 | V | 90.7 | Very high | 91.8 | Very high | 14 Ų | 14 | 37.1 Ų | 37.1 | 9% | 0.085 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 126.3 | 173.6 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | R32 I34 M68 N70 | R32-V72 HydrophobicContact CB-CG1 4.45Å; R32-V72 HydrophobicContact CB-CG2 4.26Å; R32-V72 WeakPolarHBondContact O-CA 3.33Å; I34-V72 HydrophobicContact CD1-CG1 3.49Å; I34-V72 VanDerWaalsContact CD1-CG1 3.49Å; I34-V72 HydrophobicContact CG1-CG1 3.84Å; M68-V72 HydrophobicContact CB-CB 4.41Å; M68-V72 WeakPolarHBondContact CB-O 3.5Å; M68-V72 PolarHBondContact N-O 3Å; N70-V72 VanDerWaalsContact CG-CG2 3.5Å; N70-V72 WeakPolarHBondContact ND2-CG2 3.35Å; N70-V72 PolarHBondContact O-N 2.93Å; N70-V72 VanDerWaalsContact OD1-CB 3.27Å; N70-V72 WeakPolarHBondContact OD1-CB 3.45Å; N70-V72 WeakPolarHBondContact OD1-CG2 3.42Å; N70-V72 PolarHBondContact OD1-N 3.18Å |
| 73 | V | 92.9 | Very high | 91.5 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 116.1 | 175.8 | 176.4 | 0 | 0 | 0 | 0 | 108 | V30 R32 I34 V67 V75 V117 V145 | V30-V73 HydrophobicContact CB-CG2 4.44Å; V30-V73 HydrophobicContact CG1-CB 4.4Å; V30-V73 HydrophobicContact CG1-CG2 3.72Å; V30-V73 HydrophobicContact CG2-CG2 3.83Å; R32-V73 PolarHBondContact O-N 3.43Å; I34-V73 PolarHBondContact N-O 3.5Å; V67-V73 HydrophobicContact CG2-CG2 4.43Å; V73-V75 HydrophobicContact CG1-CG2 4.13Å; V73-V117 HydrophobicContact CG1-CB 3.73Å; V73-V117 HydrophobicContact CG1-CG1 4.08Å; V73-V117 HydrophobicContact CG1-CG2 3.98Å; V73-V145 HydrophobicContact CG2-CG2 4.15Å |
| 74 | N | 93.8 | Very high | 91 | Very high | 22 Ų | 22 | 44.6 Ų | 44.6 | 12% | 0.118 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 114.8 | 173.1 | -172.2 | 13.7 | 0 | 0 | 0 | 110 | H36 G65 T66 M68 | H36-N74 PolarHBondContact CD2-OD1 3.5Å; H36-N74 VanDerWaalsContact CD2-OD1 3.25Å; H36-N74 PolarHBondContact NE2-ND2 2.88Å; H36-N74 PolarHBondContact NE2-OD1 3.07Å; G65-N74 CarbonylContact C-O 3.57Å; G65-N74 WeakPolarHBondContact CA-O 3.49Å; T66-N74 PolarHBondContact N-O 2.96Å; T66-N74 PolarHBondContact O-N 3.46Å; M68-N74 HydrophobicContact CE-CB 4.13Å |
| 75 | V | 94.7 | Very high | 90.5 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 108.6 | 179.9 | -171.5 | 0 | 0 | 0 | 0 | 109 | V33 I34 V35 H36 V39 L63 V73 V117 I147 | V33-V75 HydrophobicContact CG1-CG2 4.12Å; I34-V75 PolarHBondContact O-N 3.43Å; V35-V75 HydrophobicContact CG2-CB 4.48Å; V35-V75 HydrophobicContact CG2-CG2 4.39Å; H36-V75 WeakPolarHBondContact CB-O 3.35Å; H36-V75 PolarHBondContact CD2-O 3.44Å; H36-V75 VanDerWaalsContact CD2-O 3.32Å; H36-V75 PolarHBondContact N-O 3.29Å; V39-V75 HydrophobicContact CG1-CG1 4.24Å; V39-V75 HydrophobicContact CG2-CG1 3.85Å; L63-V75 HydrophobicContact CB-CG1 4.09Å; L63-V75 HydrophobicContact CD2-CG1 3.84Å; L63-V75 HydrophobicContact CG-CG1 4.38Å; V73-V75 HydrophobicContact CG1-CG2 4.13Å; V75-V117 HydrophobicContact CG2-CG2 4.19Å; V75-I147 HydrophobicContact CG2-CD1 3.97Å |
| 76 | S | 92.4 | Very high | 89.8 | Confident | 26 Ų | 26 | 52 Ų | 52 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -38.7 | -176.6 | -52.8 | 0 | 0 | 0 | 0 | 112 | L64 | L64-S76 PolarHBondContact O-N 3.44Å |
| 77 | N | 94 | Very high | 88.7 | Confident | 36 Ų | 36 | 56.9 Ų | 56.9 | 19% | 0.193 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 166.2 | -173.3 | -157.3 | -0.7 | 0 | 0 | 0 | 111.7 | L64 | L64-N77 WeakPolarHBondContact CA-O 3.42Å; L64-N77 HydrophobicContact CB-CB 4.23Å; L64-N77 PolarHBondContact N-O 2.9Å; L64-N77 PolarHBondContact O-N 2.96Å; L64-N77 VanDerWaalsContact O-N 3.09Å |
| 78 | C | 94.5 | Very high | 87.4 | Confident | 7 Ų | 7 | 55.9 Ų | 55.9 | 5% | 0.047 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 156.7 | 175.6 | 69.8 | 0 | 0 | 0 | 0 | 111 | V39 S42 V62 L63 Y120 | V39-C78 HydrophobicContact CG1-CB 4Å; S42-C78 WeakPolarHBondContact CB-SG 3.27Å; V62-C78 VanDerWaalsContact O-CA 3.24Å; V62-C78 WeakPolarHBondContact O-CA 3.39Å; V62-C78 VanDerWaalsContact O-CB 3.32Å; V62-C78 WeakPolarHBondContact O-CB 3.35Å; L63-C78 HydrophobicContact CD2-CB 3.87Å; C78-Y120 HydrophobicContact CB-CD1 4.2Å; C78-Y120 HydrophobicContact CB-CE1 3.78Å |
| 79 | F | 94.8 | Very high | 86 | Confident | 17 Ų | 17 | 58.1 Ų | 58.1 | 8% | 0.075 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 154.1 | 170.4 | 64.3 | -87.8 | 0 | 0 | 0 | 110.9 | G61 V62 L64 L81 Y99 M103 F107 Y120 | G61-F79 CarbonylContact C-O 3.51Å; G61-F79 VanDerWaalsContact CA-O 3.25Å; G61-F79 WeakPolarHBondContact CA-O 3.41Å; V62-F79 HydrophobicContact CB-CD1 4.26Å; V62-F79 HydrophobicContact CB-CE1 3.73Å; V62-F79 HydrophobicContact CB-CE2 4.09Å; V62-F79 HydrophobicContact CB-CZ 3.63Å; V62-F79 HydrophobicContact CG1-CE1 3.89Å; V62-F79 HydrophobicContact CG1-CZ 3.99Å; V62-F79 HydrophobicContact CG2-CE1 4.44Å; V62-F79 HydrophobicContact CG2-CE2 4.05Å; V62-F79 HydrophobicContact CG2-CZ 3.84Å; V62-F79 PolarHBondContact N-O 3.3Å; V62-F79 PolarHBondContact O-N 3.38Å; V62-F79 VanDerWaalsContact O-N 3.09Å; L64-F79 HydrophobicContact CD1-CD1 3.86Å; L64-F79 HydrophobicContact CD1-CE1 3.95Å; L64-F79 HydrophobicContact CD2-CE1 4.1Å; L64-F79 HydrophobicContact CG-CD1 4.17Å; L64-F79 HydrophobicContact CG-CE1 4.05Å; F79-L81 HydrophobicContact CD2-CD2 4.32Å; F79-L81 HydrophobicContact CE2-CD2 3.71Å; F79-Y99 HydrophobicContact CD2-CE1 4.47Å; F79-M103 HydrophobicContact CD2-CB 4.18Å; F79-M103 HydrophobicContact CD2-CG 4.5Å; F79-M103 HydrophobicContact CE2-CB 3.75Å; F79-M103 HydrophobicContact CE2-CG 4.38Å; F79-M103 HydrophobicContact CZ-CB 4.07Å; F79-F107 HydrophobicContact CB-CE2 3.84Å; F79-F107 HydrophobicContact CB-CZ 4.16Å; F79-F107 AromaticContact CD1-CD2 3.83Å; F79-F107 HydrophobicContact CD1-CD2 3.83Å; F79-F107 AromaticContact CD1-CE2 3.56Å; F79-F107 HydrophobicContact CD1-CE2 3.56Å; F79-F107 HydrophobicContact CD1-CZ 4.37Å; F79-F107 HydrophobicContact CE1-CD2 4.1Å; F79-F107 HydrophobicContact CE1-CE2 4.25Å; F79-F107 HydrophobicContact CG-CD2 4.43Å; F79-F107 AromaticContact CG-CE2 3.78Å; F79-F107 HydrophobicContact CG-CE2 3.78Å; F79-Y120 PolarHBondContact O-OH 3.03Å |
| 80 | G | 93.6 | Very high | 84.9 | Confident | 20 Ų | 20 | 57 Ų | 57 | 21% | 0.206 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 142.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | H46 Y99 | H46-G80 WeakPolarHBondContact CE1-CA 3.39Å; H46-G80 VanDerWaalsContact ND1-CA 3.28Å; H46-G80 WeakPolarHBondContact ND1-CA 3.43Å; G80-Y99 WeakPolarHBondContact O-CE1 3.38Å |
| 81 | L | 92.5 | Very high | 84.4 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | trans | -102.1 | 144.2 | 166.7 | -64.9 | 177.5 | 0 | 0 | 0 | 109.6 | V60 V62 F79 F83 I95 Y99 L100 | V60-L81 PolarHBondContact O-N 2.9Å; V62-L81 HydrophobicContact CG2-CD1 3.6Å; V62-L81 HydrophobicContact CG2-CD2 3.91Å; V62-L81 HydrophobicContact CG2-CG 3.78Å; F79-L81 HydrophobicContact CD2-CD2 4.32Å; F79-L81 HydrophobicContact CE2-CD2 3.71Å; L81-F83 PolarHBondContact O-N 3.08Å; L81-I95 HydrophobicContact CD1-CG2 3.82Å; L81-Y99 HydrophobicContact CD2-CD1 3.94Å; L81-Y99 HydrophobicContact CD2-CE1 4.45Å; L81-L100 HydrophobicContact CD1-CD1 3.96Å; L81-L100 HydrophobicContact CD2-CB 3.91Å; L81-L100 HydrophobicContact CD2-CD1 4.24Å; L81-L100 HydrophobicContact CD2-CG 4.43Å | ||
| 82 | P | 90.6 | Very high | 84.3 | Confident | 68 Ų | 68 | 50.7 Ų | 50.7 | 44% | 0.442 | 29% | 0.29 | S | S | . | . | trans | -58.1 | 110.2 | 160.4 | -19.9 | 32.7 | 0 | 0 | 0 | 108.7 | D96 Y99 | P82-D96 HydrophobicContact CB-CB 4.43Å; P82-D96 HydrophobicContact CG-CB 4.46Å; P82-Y99 VanDerWaalsContact CD-CD1 3.46Å; P82-Y99 HydrophobicContact CG-CD1 4.22Å; P82-Y99 HydrophobicContact CG-CG 4.27Å | ||
| 83 | F | 89.5 | Confident | 84.2 | Confident | 22 Ų | 22 | 52 Ų | 52 | 10% | 0.096 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 125.7 | -179.1 | 177.2 | -106.8 | 0 | 0 | 0 | 108.7 | R58 V60 L81 E85 W93 F94 I95 V133 | R58-F83 HydrophobicContact CG-CE1 4.42Å; V60-F83 HydrophobicContact CB-CB 3.91Å; V60-F83 HydrophobicContact CB-CD1 4.07Å; V60-F83 HydrophobicContact CB-CD2 4.11Å; V60-F83 HydrophobicContact CB-CG 3.75Å; V60-F83 HydrophobicContact CG2-CB 4.33Å; V60-F83 HydrophobicContact CG2-CD1 3.52Å; V60-F83 HydrophobicContact CG2-CD2 3.92Å; V60-F83 HydrophobicContact CG2-CE1 3.66Å; V60-F83 HydrophobicContact CG2-CE2 4.03Å; V60-F83 HydrophobicContact CG2-CG 3.64Å; V60-F83 HydrophobicContact CG2-CZ 3.9Å; L81-F83 PolarHBondContact O-N 3.08Å; F83-E85 HydrophobicContact CE1-CB 3.67Å; F83-E85 WeakPolarHBondContact CE1-OE2 3.26Å; F83-E85 HydrophobicContact CZ-CB 3.81Å; F83-E85 HydrophobicContact CZ-CG 4.39Å; F83-W93 HydrophobicContact CE2-CB 3.97Å; F83-W93 HydrophobicContact CE2-CE3 4.34Å; F83-W93 HydrophobicContact CZ-CB 4.19Å; F83-F94 WeakPolarHBondContact CA-O 3.4Å; F83-F94 WeakPolarHBondContact CD2-O 3.45Å; F83-I95 HydrophobicContact CD2-CD1 4.2Å; F83-I95 HydrophobicContact CD2-CG1 3.58Å; F83-I95 HydrophobicContact CE2-CD1 4.35Å; F83-I95 HydrophobicContact CE2-CG1 4.06Å; F83-V133 HydrophobicContact CE2-CG2 4.45Å |
| 84 | E | 86 | Confident | 84 | Confident | 138 Ų | 138 | 58.3 Ų | 58.3 | 65% | 0.645 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 128.9 | 174.4 | -65.8 | -174.1 | 171.2 | 0 | 0 | 108.5 | W93 F94 | E84-W93 CarbonylContact O-C 3.56Å; E84-W93 WeakPolarHBondContact O-CA 3.26Å; E84-F94 PolarHBondContact N-O 3.46Å; E84-F94 PolarHBondContact O-N 2.98Å |
| 85 | E | 83.3 | Confident | 83.9 | Confident | 53 Ų | 53 | 58.4 Ų | 58.4 | 25% | 0.248 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 125.8 | 176.2 | -175 | 168.1 | -162.1 | 0 | 0 | 107.1 | R58 F83 N129 | R58-E85 WeakPolarHBondContact CD-OE2 3.49Å; R58-E85 IonicContact NH1-OE2 2.91Å; R58-E85 PolarHBondContact NH1-OE2 3.43Å; F83-E85 HydrophobicContact CE1-CB 3.67Å; F83-E85 WeakPolarHBondContact CE1-OE2 3.26Å; F83-E85 HydrophobicContact CZ-CB 3.81Å; F83-E85 HydrophobicContact CZ-CG 4.39Å; E85-N129 PolarHBondContact OE1-ND2 3.32Å |
| 86 | E | 78.7 | Confident | 83.7 | Confident | 101 Ų | 101 | 61.7 Ų | 61.7 | 47% | 0.472 | 34% | 0.339 | S | S | . | . | trans | -80.9 | 125.7 | 174.8 | -159.7 | -174 | 161.2 | 0 | 0 | 109.1 | T88 V92 | E86-T88 PolarHBondContact O-N 3.29Å; E86-T88 VanDerWaalsContact O-N 3.14Å; E86-T88 WeakPolarHBondContact OE1-CB 3.46Å; E86-T88 PolarHBondContact OE1-OG1 3.47Å; E86-V92 PolarHBondContact N-O 3.49Å | ||
| 87 | D | 69.7 | Low | 83.7 | Confident | 148 Ų | 148 | 62.9 Ų | 62.9 | 79% | 0.791 | 34% | 0.343 | S | S | * | . | trans | -65.2 | -14.4 | 176.2 | -70.1 | -35.7 | 0 | 0 | 0 | 112.5 | ||||
| 88 | T | 63.1 | Low | 83.6 | Confident | 71 Ų | 71 | 66.6 Ų | 66.6 | 44% | 0.436 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -68.5 | 144.6 | 178.3 | -48.1 | 0 | 0 | 0 | 0 | 110.5 | E86 N90 G91 | E86-T88 PolarHBondContact O-N 3.29Å; E86-T88 VanDerWaalsContact O-N 3.14Å; E86-T88 WeakPolarHBondContact OE1-CB 3.46Å; E86-T88 PolarHBondContact OE1-OG1 3.47Å; T88-N90 PolarHBondContact O-N 3.17Å; T88-G91 PolarHBondContact O-N 2.92Å |
| 89 | S | 57.7 | Low | 83.6 | Confident | 119 Ų | 119 | 70.3 Ų | 70.3 | 83% | 0.832 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48 | -8.9 | -174 | 58.6 | 0 | 0 | 0 | 0 | 117.9 | G91 | S89-G91 VanDerWaalsContact C-N 3.29Š|
| 90 | N | 60.7 | Low | 83.5 | Confident | 119 Ų | 119 | 69.6 Ų | 69.6 | 64% | 0.636 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -11.3 | 180 | -67 | -7.3 | 0 | 0 | 0 | 113 | T88 V92 | T88-N90 PolarHBondContact O-N 3.17Å; N90-V92 HydrophobicContact CB-CG2 3.85Å; N90-V92 PolarHBondContact O-N 3.42Å; N90-V92 VanDerWaalsContact O-N 3.13Å |
| 91 | G | 73.9 | Confident | 83.4 | Confident | 21 Ų | 21 | 73.8 Ų | 73.8 | 22% | 0.216 | 39% | 0.387 | C | S | . | . | trans | 58.1 | 29.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | T88 S89 W93 | T88-G91 PolarHBondContact O-N 2.92Å; S89-G91 VanDerWaalsContact C-N 3.29Å; G91-W93 PolarHBondContact O-N 3.19Å | ||
| 92 | V | 83.2 | Confident | 83.5 | Confident | 55 Ų | 55 | 78.3 Ų | 78.3 | 33% | 0.333 | 41% | 0.412 | S | S | . | . | trans | -77 | 123.5 | -179.4 | -174.7 | 0 | 0 | 0 | 0 | 107.9 | E86 N90 F94 | E86-V92 PolarHBondContact N-O 3.49Å; N90-V92 HydrophobicContact CB-CG2 3.85Å; N90-V92 PolarHBondContact O-N 3.42Å; N90-V92 VanDerWaalsContact O-N 3.13Å; V92-F94 HydrophobicContact CG1-CD2 4.19Å; V92-F94 HydrophobicContact CG1-CE2 3.42Å; V92-F94 VanDerWaalsContact CG1-CE2 3.42Å; V92-F94 HydrophobicContact CG1-CZ 3.65Å | ||
| 93 | W | 88.6 | Confident | 83.6 | Confident | 41 Ų | 41 | 76.8 Ų | 76.8 | 16% | 0.155 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 147.1 | 177.9 | 61.2 | -93.1 | 0 | 0 | 0 | 109.6 | F83 E84 G91 I95 E132 V133 T136 | F83-W93 HydrophobicContact CE2-CB 3.97Å; F83-W93 HydrophobicContact CE2-CE3 4.34Å; F83-W93 HydrophobicContact CZ-CB 4.19Å; E84-W93 CarbonylContact O-C 3.56Å; E84-W93 WeakPolarHBondContact O-CA 3.26Å; G91-W93 PolarHBondContact O-N 3.19Å; W93-I95 HydrophobicContact CE3-CD1 3.88Å; W93-I95 HydrophobicContact CE3-CG1 3.82Å; W93-I95 HydrophobicContact CH2-CD1 4.45Å; W93-I95 HydrophobicContact CZ3-CB 4.07Å; W93-I95 HydrophobicContact CZ3-CD1 3.52Å; W93-I95 HydrophobicContact CZ3-CG1 3.7Å; W93-E132 HydrophobicContact CZ2-CB 3.86Å; W93-E132 PolarHBondContact NE1-OE2 2.94Å; W93-V133 HydrophobicContact CD2-CG2 3.83Å; W93-V133 HydrophobicContact CE3-CG2 3.95Å; W93-V133 HydrophobicContact CG-CG2 4.39Å; W93-V133 HydrophobicContact CH2-CG2 4.29Å; W93-V133 HydrophobicContact CZ2-CG2 4.18Å; W93-V133 HydrophobicContact CZ3-CG2 4.19Å; W93-T136 HydrophobicContact CH2-CG2 4.17Å; W93-T136 WeakPolarHBondContact CH2-OG1 3.41Å |
| 94 | F | 89.1 | Confident | 83.8 | Confident | 137 Ų | 137 | 78.5 Ų | 78.5 | 60% | 0.601 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 132 | 178.6 | -67.3 | -79.5 | 0 | 0 | 0 | 110.3 | F83 E84 V92 | F83-F94 WeakPolarHBondContact CA-O 3.4Å; F83-F94 WeakPolarHBondContact CD2-O 3.45Å; E84-F94 PolarHBondContact N-O 3.46Å; E84-F94 PolarHBondContact O-N 2.98Å; V92-F94 HydrophobicContact CG1-CD2 4.19Å; V92-F94 HydrophobicContact CG1-CE2 3.42Å; V92-F94 VanDerWaalsContact CG1-CE2 3.42Å; V92-F94 HydrophobicContact CG1-CZ 3.65Å |
| 95 | I | 90.5 | Very high | 84.1 | Confident | 24 Ų | 24 | 74 Ų | 74 | 12% | 0.123 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 129 | 171.3 | -67.5 | 173.1 | 0 | 0 | 0 | 108 | L81 F83 W93 L97 V133 | L81-I95 HydrophobicContact CD1-CG2 3.82Å; F83-I95 HydrophobicContact CD2-CD1 4.2Å; F83-I95 HydrophobicContact CD2-CG1 3.58Å; F83-I95 HydrophobicContact CE2-CD1 4.35Å; F83-I95 HydrophobicContact CE2-CG1 4.06Å; W93-I95 HydrophobicContact CE3-CD1 3.88Å; W93-I95 HydrophobicContact CE3-CG1 3.82Å; W93-I95 HydrophobicContact CH2-CD1 4.45Å; W93-I95 HydrophobicContact CZ3-CB 4.07Å; W93-I95 HydrophobicContact CZ3-CD1 3.52Å; W93-I95 HydrophobicContact CZ3-CG1 3.7Å; I95-L97 HydrophobicContact CG2-CD2 4.01Å; I95-L97 PolarHBondContact O-N 3.33Å; I95-V133 HydrophobicContact CD1-CB 4.47Å; I95-V133 HydrophobicContact CD1-CG1 3.69Å; I95-V133 HydrophobicContact CD1-CG2 4.2Å |
| 96 | D | 92.1 | Very high | 84.7 | Confident | 70 Ų | 70 | 76.5 Ų | 76.5 | 37% | 0.374 | 41% | 0.405 | S | S | . | . | trans | -77.6 | 100.9 | 171.8 | -170.9 | -17.9 | 0 | 0 | 0 | 110.8 | P82 D98 Y99 L100 | P82-D96 HydrophobicContact CB-CB 4.43Å; P82-D96 HydrophobicContact CG-CB 4.46Å; D96-D98 PolarHBondContact OD1-N 2.95Å; D96-Y99 VanDerWaalsContact CG-CB 3.46Å; D96-Y99 PolarHBondContact OD1-N 2.92Å; D96-L100 PolarHBondContact O-N 3.23Å | ||
| 97 | L | 91.1 | Very high | 85.3 | Confident | 51 Ų | 51 | 74.4 Ų | 74.4 | 27% | 0.267 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -75.4 | -28.6 | 178 | -61.8 | -178.1 | 0 | 0 | 0 | 112.7 | I95 Y99 L100 E101 T136 F140 | I95-L97 HydrophobicContact CG2-CD2 4.01Å; I95-L97 PolarHBondContact O-N 3.33Å; L97-Y99 VanDerWaalsContact C-N 3.34Å; L97-L100 WeakPolarHBondContact O-CB 3.2Å; L97-L100 PolarHBondContact O-N 3.43Å; L97-E101 PolarHBondContact O-N 2.9Å; L97-T136 HydrophobicContact CD1-CG2 4.26Å; L97-T136 HydrophobicContact CD2-CG2 4.24Å; L97-F140 HydrophobicContact CD2-CE2 3.93Å; L97-F140 HydrophobicContact CD2-CZ 4.41Å |
| 98 | D | 92.7 | Very high | 86.3 | Confident | 113 Ų | 113 | 74.4 Ų | 74.4 | 60% | 0.604 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -69.5 | -38.9 | 178 | -67.4 | -19.2 | 0 | 0 | 0 | 109.8 | D96 L100 E101 N102 | D96-D98 PolarHBondContact OD1-N 2.95Å; D98-L100 VanDerWaalsContact C-N 3.32Å; D98-E101 PolarHBondContact O-N 2.92Å; D98-N102 WeakPolarHBondContact O-CB 3.19Å; D98-N102 VanDerWaalsContact O-CG 3.32Å; D98-N102 PolarHBondContact O-N 2.85Å; D98-N102 VanDerWaalsContact O-N 3.08Å; D98-N102 PolarHBondContact O-ND2 3.29Å |
| 99 | Y | 93.7 | Very high | 87.8 | Confident | 86 Ų | 86 | 79.6 Ų | 79.6 | 34% | 0.337 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 171.7 | -175.7 | -97.3 | 0 | 0 | 0 | 111.6 | F79 G80 L81 P82 D96 L97 N102 M103 | F79-Y99 HydrophobicContact CD2-CE1 4.47Å; G80-Y99 WeakPolarHBondContact O-CE1 3.38Å; L81-Y99 HydrophobicContact CD2-CD1 3.94Å; L81-Y99 HydrophobicContact CD2-CE1 4.45Å; P82-Y99 VanDerWaalsContact CD-CD1 3.46Å; P82-Y99 HydrophobicContact CG-CD1 4.22Å; P82-Y99 HydrophobicContact CG-CG 4.27Å; D96-Y99 VanDerWaalsContact CG-CB 3.46Å; D96-Y99 PolarHBondContact OD1-N 2.92Å; L97-Y99 VanDerWaalsContact C-N 3.34Å; Y99-N102 PolarHBondContact O-N 3.03Å; Y99-M103 HydrophobicContact CD1-CG 3.93Å; Y99-M103 HydrophobicContact CD2-CG 4.21Å; Y99-M103 HydrophobicContact CE1-CG 3.47Å; Y99-M103 VanDerWaalsContact CE1-CG 3.47Å; Y99-M103 HydrophobicContact CE1-SD 4.49Å; Y99-M103 HydrophobicContact CE2-CE 4.42Å; Y99-M103 HydrophobicContact CE2-CG 3.78Å; Y99-M103 HydrophobicContact CE2-SD 4.19Å; Y99-M103 HydrophobicContact CG-CG 4.28Å; Y99-M103 VanDerWaalsContact O-CB 3.31Å; Y99-M103 WeakPolarHBondContact O-CB 3.45Å; Y99-M103 WeakPolarHBondContact O-CG 3.47Å; Y99-M103 PolarHBondContact O-N 2.95Å |
| 100 | L | 92.5 | Very high | 89.5 | Confident | 2 Ų | 2 | 80.2 Ų | 80.2 | 1% | 0.01 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -58.9 | -49.5 | 177.7 | 178.8 | 145.5 | 0 | 0 | 0 | 111.9 | V62 L81 D96 L97 D98 Y104 I116 L137 F140 | V62-L100 HydrophobicContact CG2-CD1 3.51Å; V62-L100 HydrophobicContact CG2-CG 4.25Å; L81-L100 HydrophobicContact CD1-CD1 3.96Å; L81-L100 HydrophobicContact CD2-CB 3.91Å; L81-L100 HydrophobicContact CD2-CD1 4.24Å; L81-L100 HydrophobicContact CD2-CG 4.43Å; D96-L100 PolarHBondContact O-N 3.23Å; L97-L100 WeakPolarHBondContact O-CB 3.2Å; L97-L100 PolarHBondContact O-N 3.43Å; D98-L100 VanDerWaalsContact C-N 3.32Å; L100-Y104 WeakPolarHBondContact O-CB 3.33Å; L100-Y104 PolarHBondContact O-N 2.86Å; L100-I116 HydrophobicContact CD2-CD1 4.38Å; L100-L137 HydrophobicContact CD1-CD2 3.88Å; L100-F140 HydrophobicContact CD2-CD1 4.01Å; L100-F140 HydrophobicContact CD2-CD2 4.3Å; L100-F140 HydrophobicContact CD2-CE1 3.92Å; L100-F140 HydrophobicContact CD2-CE2 4.23Å; L100-F140 HydrophobicContact CD2-CG 4.19Å; L100-F140 HydrophobicContact CD2-CZ 4.03Å |
| 101 | E | 92.4 | Very high | 90.9 | Very high | 107 Ų | 107 | 77 Ų | 77 | 50% | 0.5 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.2 | -44.5 | -180 | -71.9 | -171.8 | 179.3 | 0 | 0 | 112.2 | L97 D98 Y104 A105 F140 | L97-E101 PolarHBondContact O-N 2.9Å; D98-E101 PolarHBondContact O-N 2.92Å; E101-Y104 PolarHBondContact O-N 2.86Å; E101-A105 WeakPolarHBondContact O-CB 3.32Å; E101-A105 PolarHBondContact O-N 2.84Å; E101-F140 HydrophobicContact CG-CE1 3.85Å; E101-F140 HydrophobicContact CG-CZ 4.38Å; E101-F140 WeakPolarHBondContact OE1-CE1 3.42Å |
| 102 | N | 94.3 | Very high | 91.7 | Very high | 99 Ų | 99 | 80.1 Ų | 80.1 | 53% | 0.529 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.9 | -46.5 | 179.8 | -76.3 | -49.9 | 0 | 0 | 0 | 111.8 | D98 Y99 A105 M106 | D98-N102 WeakPolarHBondContact O-CB 3.19Å; D98-N102 VanDerWaalsContact O-CG 3.32Å; D98-N102 PolarHBondContact O-N 2.85Å; D98-N102 VanDerWaalsContact O-N 3.08Å; D98-N102 PolarHBondContact O-ND2 3.29Å; Y99-N102 PolarHBondContact O-N 3.03Å; N102-A105 PolarHBondContact O-N 3.03Å; N102-M106 WeakPolarHBondContact O-CG 3.31Å; N102-M106 PolarHBondContact O-N 3.44Å; N102-M106 VanDerWaalsContact O-N 3.12Å |
| 103 | M | 93.1 | Very high | 92 | Very high | 36 Ų | 36 | 87.5 Ų | 87.5 | 18% | 0.177 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 176.8 | -74.8 | -63.1 | 99 | 0 | 0 | 111.7 | F79 Y99 A105 M106 F107 | F79-M103 HydrophobicContact CD2-CB 4.18Å; F79-M103 HydrophobicContact CD2-CG 4.5Å; F79-M103 HydrophobicContact CE2-CB 3.75Å; F79-M103 HydrophobicContact CE2-CG 4.38Å; F79-M103 HydrophobicContact CZ-CB 4.07Å; Y99-M103 HydrophobicContact CD1-CG 3.93Å; Y99-M103 HydrophobicContact CD2-CG 4.21Å; Y99-M103 HydrophobicContact CE1-CG 3.47Å; Y99-M103 VanDerWaalsContact CE1-CG 3.47Å; Y99-M103 HydrophobicContact CE1-SD 4.49Å; Y99-M103 HydrophobicContact CE2-CE 4.42Å; Y99-M103 HydrophobicContact CE2-CG 3.78Å; Y99-M103 HydrophobicContact CE2-SD 4.19Å; Y99-M103 HydrophobicContact CG-CG 4.28Å; Y99-M103 VanDerWaalsContact O-CB 3.31Å; Y99-M103 WeakPolarHBondContact O-CB 3.45Å; Y99-M103 WeakPolarHBondContact O-CG 3.47Å; Y99-M103 PolarHBondContact O-N 2.95Å; M103-A105 VanDerWaalsContact C-N 3.29Å; M103-A105 PolarHBondContact O-N 3.49Å; M103-M106 HydrophobicContact CE-CE 3.62Å; M103-M106 HydrophobicContact CE-CG 4.39Å; M103-M106 HydrophobicContact CE-SD 3.41Å; M103-M106 WeakPolarHBondContact CE-SD 3.37Å; M103-M106 WeakPolarHBondContact O-CB 3.44Å; M103-M106 PolarHBondContact O-N 3.42Å; M103-F107 VanDerWaalsContact O-CD2 3.32Å; M103-F107 WeakPolarHBondContact O-CD2 3.45Å; M103-F107 PolarHBondContact O-N 3.08Å |
| 104 | Y | 93.2 | Very high | 92 | Very high | 57 Ų | 57 | 86.8 Ų | 86.8 | 22% | 0.224 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -59.7 | -42.2 | 176.6 | 179 | -119.8 | 0 | 0 | 0 | 111.7 | L64 L100 E101 M106 F107 R108 I116 | L64-Y104 HydrophobicContact CD2-CD2 4.11Å; L64-Y104 HydrophobicContact CD2-CE2 4.33Å; L100-Y104 WeakPolarHBondContact O-CB 3.33Å; L100-Y104 PolarHBondContact O-N 2.86Å; E101-Y104 PolarHBondContact O-N 2.86Å; Y104-M106 VanDerWaalsContact C-N 3.27Å; Y104-M106 PolarHBondContact O-N 3.46Å; Y104-F107 PolarHBondContact O-N 2.94Å; Y104-R108 WeakPolarHBondContact O-CB 3.4Å; Y104-R108 PolarHBondContact O-N 3.07Å; Y104-I116 HydrophobicContact CD1-CD1 4.1Å; Y104-I116 HydrophobicContact CD1-CG1 4.46Å; Y104-I116 HydrophobicContact CD2-CD1 3.73Å; Y104-I116 HydrophobicContact CD2-CG1 3.42Å; Y104-I116 VanDerWaalsContact CD2-CG1 3.42Å; Y104-I116 HydrophobicContact CE1-CD1 4.43Å; Y104-I116 HydrophobicContact CE1-CG1 4.45Å; Y104-I116 HydrophobicContact CE2-CD1 4.12Å; Y104-I116 HydrophobicContact CE2-CG1 3.44Å; Y104-I116 VanDerWaalsContact CE2-CG1 3.44Å; Y104-I116 HydrophobicContact CG-CD1 3.74Å; Y104-I116 HydrophobicContact CG-CG1 3.98Å |
| 105 | A | 93.5 | Very high | 92.2 | Very high | 45 Ų | 45 | 82.4 Ų | 82.4 | 37% | 0.372 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62 | -33.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E101 N102 M103 K109 | E101-A105 WeakPolarHBondContact O-CB 3.32Å; E101-A105 PolarHBondContact O-N 2.84Å; N102-A105 PolarHBondContact O-N 3.03Å; M103-A105 VanDerWaalsContact C-N 3.29Å; M103-A105 PolarHBondContact O-N 3.49Å; A105-K109 VanDerWaalsContact O-CG 3.31Å; A105-K109 WeakPolarHBondContact O-CG 3.15Å; A105-K109 PolarHBondContact O-N 3.28Å |
| 106 | M | 94 | Very high | 92.3 | Very high | 105 Ų | 105 | 82.3 Ų | 82.3 | 52% | 0.517 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -71.4 | -47.2 | 174 | -67 | -171.3 | -163.5 | 0 | 0 | 112.1 | N102 M103 Y104 R108 K109 V110 | N102-M106 WeakPolarHBondContact O-CG 3.31Å; N102-M106 PolarHBondContact O-N 3.44Å; N102-M106 VanDerWaalsContact O-N 3.12Å; M103-M106 HydrophobicContact CE-CE 3.62Å; M103-M106 HydrophobicContact CE-CG 4.39Å; M103-M106 HydrophobicContact CE-SD 3.41Å; M103-M106 WeakPolarHBondContact CE-SD 3.37Å; M103-M106 WeakPolarHBondContact O-CB 3.44Å; M103-M106 PolarHBondContact O-N 3.42Å; Y104-M106 VanDerWaalsContact C-N 3.27Å; Y104-M106 PolarHBondContact O-N 3.46Å; M106-R108 VanDerWaalsContact C-N 3.3Å; M106-R108 PolarHBondContact O-N 3.12Å; M106-K109 WeakPolarHBondContact O-CB 3.42Å; M106-K109 PolarHBondContact O-N 2.72Å; M106-K109 VanDerWaalsContact O-N 3.08Å; M106-V110 PolarHBondContact O-N 2.8Å |
| 107 | F | 92.2 | Very high | 92.4 | Very high | 56 Ų | 56 | 79.1 Ų | 79.1 | 25% | 0.246 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 177.3 | -83 | -71 | 0 | 0 | 0 | 111.8 | L64 F79 M103 Y104 K109 V110 N111 | L64-F107 HydrophobicContact CD1-CB 3.87Å; L64-F107 HydrophobicContact CD1-CD1 3.94Å; L64-F107 HydrophobicContact CD1-CD2 3.91Å; L64-F107 HydrophobicContact CD1-CE1 4.49Å; L64-F107 HydrophobicContact CD1-CE2 4.46Å; L64-F107 HydrophobicContact CD1-CG 3.63Å; F79-F107 HydrophobicContact CB-CE2 3.84Å; F79-F107 HydrophobicContact CB-CZ 4.16Å; F79-F107 AromaticContact CD1-CD2 3.83Å; F79-F107 HydrophobicContact CD1-CD2 3.83Å; F79-F107 AromaticContact CD1-CE2 3.56Å; F79-F107 HydrophobicContact CD1-CE2 3.56Å; F79-F107 HydrophobicContact CD1-CZ 4.37Å; F79-F107 HydrophobicContact CE1-CD2 4.1Å; F79-F107 HydrophobicContact CE1-CE2 4.25Å; F79-F107 HydrophobicContact CG-CD2 4.43Å; F79-F107 AromaticContact CG-CE2 3.78Å; F79-F107 HydrophobicContact CG-CE2 3.78Å; M103-F107 VanDerWaalsContact O-CD2 3.32Å; M103-F107 WeakPolarHBondContact O-CD2 3.45Å; M103-F107 PolarHBondContact O-N 3.08Å; Y104-F107 PolarHBondContact O-N 2.94Å; F107-K109 VanDerWaalsContact C-N 3.25Å; F107-K109 PolarHBondContact O-N 2.91Å; F107-V110 PolarHBondContact O-N 3.46Å; F107-N111 PolarHBondContact O-N 2.94Å |
| 108 | R | 91.6 | Very high | 92.5 | Very high | 149 Ų | 149 | 76.8 Ų | 76.8 | 56% | 0.562 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -63.4 | -28.7 | 176.1 | -167.5 | 176.5 | 178.9 | -170.6 | 1.1 | 113.3 | Y104 M106 N111 A112 | Y104-R108 WeakPolarHBondContact O-CB 3.4Å; Y104-R108 PolarHBondContact O-N 3.07Å; M106-R108 VanDerWaalsContact C-N 3.3Å; M106-R108 PolarHBondContact O-N 3.12Å; R108-N111 CarbonylContact O-C 3.54Å; R108-A112 PolarHBondContact O-N 3.34Å |
| 109 | K | 93.6 | Very high | 92.6 | Very high | 179 Ų | 179 | 71.5 Ų | 71.5 | 78% | 0.778 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -71.3 | -32.4 | 172.9 | -73.6 | 170.7 | -174.2 | 177.4 | 0 | 112.4 | A105 M106 F107 | A105-K109 VanDerWaalsContact O-CG 3.31Å; A105-K109 WeakPolarHBondContact O-CG 3.15Å; A105-K109 PolarHBondContact O-N 3.28Å; M106-K109 WeakPolarHBondContact O-CB 3.42Å; M106-K109 PolarHBondContact O-N 2.72Å; M106-K109 VanDerWaalsContact O-N 3.08Å; F107-K109 VanDerWaalsContact C-N 3.25Å; F107-K109 PolarHBondContact O-N 2.91Å |
| 110 | V | 93.4 | Very high | 92.7 | Very high | 132 Ų | 132 | 67.5 Ų | 67.5 | 80% | 0.8 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -79.8 | -48.2 | 178.3 | 178.6 | 0 | 0 | 0 | 0 | 110.5 | M106 F107 | M106-V110 PolarHBondContact O-N 2.8Å; F107-V110 PolarHBondContact O-N 3.46Å |
| 111 | N | 90.3 | Very high | 92.7 | Very high | 53 Ų | 53 | 67.4 Ų | 67.4 | 28% | 0.283 | 34% | 0.338 | S | S | . | . | trans | -134.6 | 104.8 | 179.6 | -168.9 | -1.9 | 0 | 0 | 0 | 110.6 | F107 R108 R113 E114 | F107-N111 PolarHBondContact O-N 2.94Å; R108-N111 CarbonylContact O-C 3.54Å; N111-R113 PolarHBondContact O-N 3.33Å; N111-R113 WeakPolarHBondContact OD1-CB 3.33Å; N111-R113 PolarHBondContact OD1-N 2.89Å; N111-R113 VanDerWaalsContact OD1-N 3.14Å; N111-E114 HydrophobicContact CB-CG 4.48Å; N111-E114 PolarHBondContact ND2-OE1 3.28Å; N111-E114 PolarHBondContact O-N 2.86Å | ||
| 112 | A | 90.3 | Very high | 92.5 | Very high | 85 Ų | 85 | 62.3 Ų | 62.3 | 70% | 0.702 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -11.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R108 | R108-A112 PolarHBondContact O-N 3.34Š|
| 113 | R | 89.8 | Confident | 91.7 | Very high | 211 Ų | 211 | 58 Ų | 58 | 80% | 0.796 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -24.7 | 178.7 | -64.1 | -177.6 | 175.8 | -178.7 | -0.9 | 112.6 | T66 N111 | T66-R113 WeakPolarHBondContact CG2-O 3.48Å; N111-R113 PolarHBondContact O-N 3.33Å; N111-R113 WeakPolarHBondContact OD1-CB 3.33Å; N111-R113 PolarHBondContact OD1-N 2.89Å; N111-R113 VanDerWaalsContact OD1-N 3.14Å |
| 114 | E | 89.6 | Confident | 90.9 | Very high | 25 Ų | 25 | 59.8 Ų | 59.8 | 12% | 0.117 | 31% | 0.307 | C | S | . | . | trans | -80.2 | 124.8 | -178.6 | -78.3 | 171.4 | -149.8 | 0 | 0 | 111 | L64 N111 | L64-E114 HydrophobicContact CB-CB 4.48Å; N111-E114 HydrophobicContact CB-CG 4.48Å; N111-E114 PolarHBondContact ND2-OE1 3.28Å; N111-E114 PolarHBondContact O-N 2.86Å | ||
| 115 | S | 91.9 | Very high | 90.5 | Very high | 45 Ų | 45 | 62.1 Ų | 62.1 | 32% | 0.315 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 161.2 | 169.6 | 55.7 | 0 | 0 | 0 | 0 | 110.1 | L64 G65 V117 | L64-S115 WeakPolarHBondContact CA-O 3.41Å; G65-S115 PolarHBondContact N-O 3.33Å; G65-S115 PolarHBondContact O-N 3.08Å; G65-S115 VanDerWaalsContact O-O 3.08Å; G65-S115 PolarHBondContact O-OG 3.44Å; S115-V117 PolarHBondContact O-N 3.19Å |
| 116 | I | 93.5 | Very high | 90.1 | Very high | 22 Ų | 22 | 63.1 Ų | 63.1 | 11% | 0.113 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 122.5 | 171.7 | -44.3 | -178.8 | 0 | 0 | 0 | 108.6 | V62 L64 L100 Y104 I141 | V62-I116 HydrophobicContact CG1-CB 4.43Å; V62-I116 HydrophobicContact CG1-CG1 4.45Å; V62-I116 HydrophobicContact CG1-CG2 3.25Å; L64-I116 HydrophobicContact CD2-CB 4.45Å; L64-I116 HydrophobicContact CD2-CG1 3.98Å; L100-I116 HydrophobicContact CD2-CD1 4.38Å; Y104-I116 HydrophobicContact CD1-CD1 4.1Å; Y104-I116 HydrophobicContact CD1-CG1 4.46Å; Y104-I116 HydrophobicContact CD2-CD1 3.73Å; Y104-I116 HydrophobicContact CD2-CG1 3.42Å; Y104-I116 VanDerWaalsContact CD2-CG1 3.42Å; Y104-I116 HydrophobicContact CE1-CD1 4.43Å; Y104-I116 HydrophobicContact CE1-CG1 4.45Å; Y104-I116 HydrophobicContact CE2-CD1 4.12Å; Y104-I116 HydrophobicContact CE2-CG1 3.44Å; Y104-I116 VanDerWaalsContact CE2-CG1 3.44Å; Y104-I116 HydrophobicContact CG-CD1 3.74Å; Y104-I116 HydrophobicContact CG-CG1 3.98Å; I116-I141 HydrophobicContact CB-CD1 3.84Å; I116-I141 HydrophobicContact CB-CG1 4.06Å; I116-I141 HydrophobicContact CG2-CD1 3.31Å; I116-I141 HydrophobicContact CG2-CG1 4.04Å |
| 117 | V | 92.9 | Very high | 89.8 | Confident | 4 Ų | 4 | 61.9 Ų | 61.9 | 2% | 0.024 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | -18.5 | -178.1 | -65.8 | 0 | 0 | 0 | 0 | 112.8 | L63 V67 V73 V75 S115 V145 | L63-V117 HydrophobicContact CB-CG2 3.87Å; L63-V117 WeakPolarHBondContact O-CG2 3.48Å; L63-V117 PolarHBondContact O-N 2.83Å; V67-V117 HydrophobicContact CG2-CG1 4.04Å; V73-V117 HydrophobicContact CG1-CB 3.73Å; V73-V117 HydrophobicContact CG1-CG1 4.08Å; V73-V117 HydrophobicContact CG1-CG2 3.98Å; V75-V117 HydrophobicContact CG2-CG2 4.19Å; S115-V117 PolarHBondContact O-N 3.19Å; V117-V145 PolarHBondContact O-N 3.42Å |
| 118 | G | 94 | Very high | 89.4 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.8 | -154.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112 | L63 V145 | L63-G118 PolarHBondContact N-O 3.47Å; G118-V145 CarbonylContact C-O 3.53Å; G118-V145 VanDerWaalsContact CA-O 3.25Å; G118-V145 WeakPolarHBondContact CA-O 3.49Å |
| 119 | W | 95.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 0% | 0.004 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 160.4 | -178.4 | 62.8 | -74.8 | 0 | 0 | 0 | 110.6 | V60 G61 L63 H121 D130 V133 N134 L137 V145 L146 I147 | V60-W119 HydrophobicContact CG1-CE3 3.96Å; V60-W119 HydrophobicContact CG1-CZ3 4.37Å; G61-W119 CarbonylContact O-C 3.56Å; G61-W119 VanDerWaalsContact O-CA 3.26Å; G61-W119 WeakPolarHBondContact O-CA 3.3Å; G61-W119 VanDerWaalsContact O-CB 3.27Å; G61-W119 WeakPolarHBondContact O-CB 3.38Å; L63-W119 WeakPolarHBondContact CD1-O 3.27Å; W119-H121 HydrophobicContact CZ3-CB 4.2Å; W119-H121 AromaticContact CZ3-CD2 3.71Å; W119-D130 HydrophobicContact CH2-CB 3.95Å; W119-D130 HydrophobicContact CZ2-CB 4.43Å; W119-V133 HydrophobicContact CD2-CG1 4.34Å; W119-V133 HydrophobicContact CE3-CG1 4.1Å; W119-V133 HydrophobicContact CH2-CB 4.14Å; W119-V133 HydrophobicContact CH2-CG1 3.8Å; W119-V133 HydrophobicContact CZ2-CB 4.43Å; W119-V133 HydrophobicContact CZ2-CG1 4.08Å; W119-V133 HydrophobicContact CZ3-CG1 3.81Å; W119-N134 HydrophobicContact CZ2-CB 4.07Å; W119-N134 PolarHBondContact NE1-OD1 3.48Å; W119-L137 HydrophobicContact CB-CD1 3.55Å; W119-L137 VanDerWaalsContact CD1-CD1 3.45Å; W119-L137 HydrophobicContact CD2-CD1 3.82Å; W119-L137 HydrophobicContact CG-CD1 3.32Å; W119-V145 PolarHBondContact N-O 3.5Å; W119-L146 HydrophobicContact CD2-CD1 3.9Å; W119-L146 HydrophobicContact CE3-CD1 3.86Å; W119-L146 HydrophobicContact CH2-CD1 3.72Å; W119-L146 HydrophobicContact CH2-CD2 4.21Å; W119-L146 HydrophobicContact CZ2-CB 4.28Å; W119-L146 HydrophobicContact CZ2-CD1 3.72Å; W119-L146 HydrophobicContact CZ2-CD2 3.99Å; W119-L146 HydrophobicContact CZ2-CG 4.2Å; W119-L146 HydrophobicContact CZ3-CD1 3.78Å; W119-L146 WeakPolarHBondContact O-CA 2.98Å; W119-I147 PolarHBondContact O-N 3.44Å |
| 120 | Y | 95.1 | Very high | 89.2 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 157.3 | 175 | 69.8 | -88.4 | 0 | 0 | 0 | 110 | V43 H46 V60 G61 L63 C78 F79 I147 | V43-Y120 HydrophobicContact CB-CD2 4.32Å; V43-Y120 HydrophobicContact CB-CE2 4.11Å; V43-Y120 HydrophobicContact CG1-CD2 3.78Å; V43-Y120 HydrophobicContact CG1-CE2 3.73Å; V43-Y120 HydrophobicContact CG2-CD1 4.25Å; V43-Y120 HydrophobicContact CG2-CD2 3.55Å; V43-Y120 HydrophobicContact CG2-CE1 4.17Å; V43-Y120 HydrophobicContact CG2-CE2 3.51Å; V43-Y120 HydrophobicContact CG2-CG 3.93Å; H46-Y120 AromaticContact ND1-CZ 3.98Å; H46-Y120 PolarHBondContact ND1-OH 3.33Å; V60-Y120 WeakPolarHBondContact CA-O 3.37Å; G61-Y120 VanDerWaalsContact C-CD1 3.47Å; G61-Y120 PolarHBondContact N-O 2.97Å; G61-Y120 WeakPolarHBondContact O-CD1 3.36Å; G61-Y120 PolarHBondContact O-N 3.01Å; L63-Y120 HydrophobicContact CD2-CD1 3.52Å; L63-Y120 HydrophobicContact CD2-CE1 4.43Å; L63-Y120 HydrophobicContact CD2-CG 4.15Å; L63-Y120 HydrophobicContact CG-CD1 4Å; C78-Y120 HydrophobicContact CB-CD1 4.2Å; C78-Y120 HydrophobicContact CB-CE1 3.78Å; F79-Y120 PolarHBondContact O-OH 3.03Å; Y120-I147 WeakPolarHBondContact CA-O 3.28Å; Y120-I147 VanDerWaalsContact CB-O 3.29Å; Y120-I147 WeakPolarHBondContact CB-O 3.39Å |
| 121 | H | 92.6 | Very high | 89 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 153.7 | 157.2 | 68.7 | 90.7 | 0 | 0 | 0 | 110.9 | R58 V59 V60 W119 G123 N125 D130 L146 I147 V148 V149 | R58-H121 HydrophobicContact CG-CB 4.42Å; R58-H121 PolarHBondContact NH2-CD2 2.89Å; R58-H121 VanDerWaalsContact NH2-CG 3.27Å; V59-H121 CarbonylContact O-C 3.49Å; V59-H121 WeakPolarHBondContact O-CA 3.5Å; V59-H121 WeakPolarHBondContact O-CB 3.5Å; V60-H121 HydrophobicContact CG2-CB 3.99Å; W119-H121 HydrophobicContact CZ3-CB 4.2Å; W119-H121 AromaticContact CZ3-CD2 3.71Å; H121-G123 PolarHBondContact O-N 3.26Å; H121-N125 PolarHBondContact CE1-O 3.49Å; H121-D130 IonicContact NE2-OD2 3.63Å; H121-D130 PolarHBondContact NE2-OD2 3.25Å; H121-L146 WeakPolarHBondContact CD2-CD1 3.35Å; H121-I147 PolarHBondContact N-O 2.88Å; H121-I147 VanDerWaalsContact N-O 3.15Å; H121-V148 VanDerWaalsContact NE2-CG2 3.32Å; H121-V148 WeakPolarHBondContact NE2-CG2 3.38Å; H121-V149 PolarHBondContact O-N 3.29Å |
| 122 | S | 88 | Confident | 88.9 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 124.5 | 165.3 | 64 | 0 | 0 | 0 | 0 | 107.7 | R58 V59 V149 | R58-S122 WeakPolarHBondContact CA-OG 3.37Å; V59-S122 PolarHBondContact N-OG 2.81Å; V59-S122 PolarHBondContact O-N 3.41Å; S122-V149 WeakPolarHBondContact CA-O 3.43Å |
| 123 | G | 77.9 | Confident | 88.9 | Confident | 8 Ų | 8 | 46.6 Ų | 46.6 | 8% | 0.082 | 23% | 0.226 | C | C | . | . | trans | -61.9 | -165.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | H121 V149 | H121-G123 PolarHBondContact O-N 3.26Å; G123-V149 PolarHBondContact N-O 2.95Å | ||
| 124 | P | 77.2 | Confident | 89 | Confident | 74 Ų | 74 | 36.6 Ų | 36.6 | 48% | 0.481 | 19% | 0.188 | S | C | . | . | S | Bend | cis | -96.4 | -29.2 | 39.5 | 30.3 | -34.6 | 0 | 0 | 0 | 116 | ||
| 125 | N | 83.2 | Confident | 89 | Confident | 106 Ų | 106 | 39.2 Ų | 39.2 | 57% | 0.567 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -127.2 | 170 | -174 | -64.4 | -27.9 | 0 | 0 | 0 | 110.6 | H121 Y127 | H121-N125 PolarHBondContact CE1-O 3.49Å; N125-Y127 VanDerWaalsContact O-CD2 3.32Å; N125-Y127 WeakPolarHBondContact O-CD2 3.37Å; N125-Y127 VanDerWaalsContact O-CE2 3.22Å; N125-Y127 WeakPolarHBondContact O-CE2 3.39Å |
| 126 | L | 86.9 | Confident | 88.9 | Confident | 67 Ų | 67 | 38.3 Ų | 38.3 | 35% | 0.351 | 19% | 0.193 | S | C | . | . | trans | -70.7 | 141.7 | 169.2 | -67.3 | 171.2 | 0 | 0 | 0 | 110.2 | D130 L146 V148 Y163 F180 | L126-D130 WeakPolarHBondContact CA-OD2 3.43Å; L126-L146 HydrophobicContact CD2-CD2 3.6Å; L126-V148 HydrophobicContact CD2-CG2 3.83Å; L126-Y163 HydrophobicContact CD1-CD1 4.2Å; L126-Y163 HydrophobicContact CD1-CE1 3.92Å; L126-Y163 HydrophobicContact CD1-CE2 4.29Å; L126-Y163 HydrophobicContact CD2-CD2 4.06Å; L126-Y163 HydrophobicContact CD2-CE2 4.06Å; L126-Y163 HydrophobicContact CG-CE2 4.32Å; L126-F180 HydrophobicContact CD1-CB 4.17Å | ||
| 127 | Y | 85.9 | Confident | 88.7 | Confident | 79 Ų | 79 | 37.6 Ų | 37.6 | 31% | 0.31 | 19% | 0.19 | S | C | . | . | trans | -109.3 | 156.9 | 176.1 | -61.3 | -93.7 | 0 | 0 | 0 | 110.5 | N125 N129 D130 | N125-Y127 VanDerWaalsContact O-CD2 3.32Å; N125-Y127 WeakPolarHBondContact O-CD2 3.37Å; N125-Y127 VanDerWaalsContact O-CE2 3.22Å; N125-Y127 WeakPolarHBondContact O-CE2 3.39Å; Y127-N129 PolarHBondContact O-N 2.9Å; Y127-D130 PolarHBondContact N-OD2 3.48Å; Y127-D130 VanDerWaalsContact O-CB 3.26Å; Y127-D130 WeakPolarHBondContact O-CB 3.32Å; Y127-D130 PolarHBondContact O-N 3.03Å | ||
| 128 | K | 85.4 | Confident | 88.6 | Confident | 182 Ų | 182 | 40.8 Ų | 40.8 | 79% | 0.791 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -35.6 | 177.6 | -172.5 | -176.3 | 174.3 | -167.1 | 0 | 112.1 | D130 | K128-D130 PolarHBondContact O-N 2.8Š|
| 129 | N | 88.7 | Confident | 88.3 | Confident | 22 Ų | 22 | 48.3 Ų | 48.3 | 12% | 0.118 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -14.8 | -178.4 | -62.9 | -10.4 | 0 | 0 | 0 | 112.7 | E85 Y127 V131 E132 V133 | E85-N129 PolarHBondContact OE1-ND2 3.32Å; Y127-N129 PolarHBondContact O-N 2.9Å; N129-V131 PolarHBondContact O-N 3.24Å; N129-E132 PolarHBondContact O-N 3.02Å; N129-E132 VanDerWaalsContact O-N 3.1Å; N129-V133 WeakPolarHBondContact O-CG2 3.49Å; N129-V133 PolarHBondContact O-N 3.47Å |
| 130 | D | 90.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.8 | -30.6 | -177.1 | -61.1 | -5 | 0 | 0 | 0 | 112.2 | R58 W119 H121 L126 Y127 K128 N134 F180 | R58-D130 IonicContact CZ-OD1 2.59Å; R58-D130 IonicContact NH1-OD1 3.24Å; R58-D130 PolarHBondContact NH1-OD1 3.42Å; R58-D130 IonicContact NH2-OD1 2.77Å; R58-D130 PolarHBondContact NH2-OD1 3.03Å; R58-D130 IonicContact NH2-OD2 3.04Å; W119-D130 HydrophobicContact CH2-CB 3.95Å; W119-D130 HydrophobicContact CZ2-CB 4.43Å; H121-D130 IonicContact NE2-OD2 3.63Å; H121-D130 PolarHBondContact NE2-OD2 3.25Å; L126-D130 WeakPolarHBondContact CA-OD2 3.43Å; Y127-D130 PolarHBondContact N-OD2 3.48Å; Y127-D130 VanDerWaalsContact O-CB 3.26Å; Y127-D130 WeakPolarHBondContact O-CB 3.32Å; Y127-D130 PolarHBondContact O-N 3.03Å; K128-D130 PolarHBondContact O-N 2.8Å; D130-N134 VanDerWaalsContact O-CB 3.23Å; D130-N134 WeakPolarHBondContact O-CB 3.5Å; D130-N134 PolarHBondContact O-N 3.39Å; D130-F180 HydrophobicContact CB-CE2 3.79Å; D130-F180 HydrophobicContact CB-CZ 4.27Å |
| 131 | V | 89.1 | Confident | 87.2 | Confident | 38 Ų | 38 | 52.7 Ų | 52.7 | 23% | 0.23 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65 | -46 | 175.8 | -178.5 | 0 | 0 | 0 | 0 | 110.1 | N129 N134 E135 K178 F180 | N129-V131 PolarHBondContact O-N 3.24Å; V131-N134 PolarHBondContact O-N 3.37Å; V131-E135 WeakPolarHBondContact O-CG 3.43Å; V131-E135 PolarHBondContact O-N 3.1Å; V131-K178 HydrophobicContact CG1-CB 3.88Å; V131-K178 HydrophobicContact CG1-CD 4.24Å; V131-F180 HydrophobicContact CG2-CE2 3.88Å |
| 132 | E | 88.9 | Confident | 86.7 | Confident | 91 Ų | 91 | 60 Ų | 60 | 43% | 0.425 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -69.2 | -40.4 | -179.4 | -58.8 | -178.2 | -177 | 0 | 0 | 112.1 | W93 N129 N134 E135 T136 | W93-E132 HydrophobicContact CZ2-CB 3.86Å; W93-E132 PolarHBondContact NE1-OE2 2.94Å; N129-E132 PolarHBondContact O-N 3.02Å; N129-E132 VanDerWaalsContact O-N 3.1Å; E132-N134 VanDerWaalsContact C-N 3.32Å; E132-N134 PolarHBondContact O-N 2.76Å; E132-E135 PolarHBondContact O-N 3.44Å; E132-T136 PolarHBondContact O-N 2.86Å; E132-T136 VanDerWaalsContact O-N 3.08Å; E132-T136 PolarHBondContact O-OG1 3.41Å; E132-T136 VanDerWaalsContact O-OG1 3.07Å |
| 133 | V | 90.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 173.4 | 171.7 | 0 | 0 | 0 | 0 | 110.2 | F83 W93 I95 W119 N129 E135 T136 L137 | F83-V133 HydrophobicContact CE2-CG2 4.45Å; W93-V133 HydrophobicContact CD2-CG2 3.83Å; W93-V133 HydrophobicContact CE3-CG2 3.95Å; W93-V133 HydrophobicContact CG-CG2 4.39Å; W93-V133 HydrophobicContact CH2-CG2 4.29Å; W93-V133 HydrophobicContact CZ2-CG2 4.18Å; W93-V133 HydrophobicContact CZ3-CG2 4.19Å; I95-V133 HydrophobicContact CD1-CB 4.47Å; I95-V133 HydrophobicContact CD1-CG1 3.69Å; I95-V133 HydrophobicContact CD1-CG2 4.2Å; W119-V133 HydrophobicContact CD2-CG1 4.34Å; W119-V133 HydrophobicContact CE3-CG1 4.1Å; W119-V133 HydrophobicContact CH2-CB 4.14Å; W119-V133 HydrophobicContact CH2-CG1 3.8Å; W119-V133 HydrophobicContact CZ2-CB 4.43Å; W119-V133 HydrophobicContact CZ2-CG1 4.08Å; W119-V133 HydrophobicContact CZ3-CG1 3.81Å; N129-V133 WeakPolarHBondContact O-CG2 3.49Å; N129-V133 PolarHBondContact O-N 3.47Å; V133-E135 PolarHBondContact O-N 3.47Å; V133-T136 PolarHBondContact O-N 3.34Å; V133-L137 HydrophobicContact CG1-CD1 4.08Å; V133-L137 WeakPolarHBondContact O-CG 3.34Å; V133-L137 PolarHBondContact O-N 3.5Å; V133-L137 VanDerWaalsContact O-N 3.08Å |
| 134 | N | 92 | Very high | 87.3 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 178.7 | -160 | 56.5 | 0 | 0 | 0 | 112.2 | W119 D130 V131 E132 T136 L137 K138 P144 E165 F180 | W119-N134 HydrophobicContact CZ2-CB 4.07Å; W119-N134 PolarHBondContact NE1-OD1 3.48Å; D130-N134 VanDerWaalsContact O-CB 3.23Å; D130-N134 WeakPolarHBondContact O-CB 3.5Å; D130-N134 PolarHBondContact O-N 3.39Å; V131-N134 PolarHBondContact O-N 3.37Å; E132-N134 VanDerWaalsContact C-N 3.32Å; E132-N134 PolarHBondContact O-N 2.76Å; N134-T136 VanDerWaalsContact C-N 3.26Å; N134-T136 PolarHBondContact O-N 3.07Å; N134-L137 PolarHBondContact O-N 3.28Å; N134-K138 WeakPolarHBondContact O-CG 3.24Å; N134-K138 PolarHBondContact O-N 2.94Å; N134-P144 WeakPolarHBondContact OD1-CG 3.31Å; N134-E165 PolarHBondContact ND2-OE2 3.49Å; N134-F180 HydrophobicContact CB-CE1 4.44Å; N134-F180 HydrophobicContact CB-CZ 4.01Å |
| 135 | E | 89.8 | Confident | 88 | Confident | 81 Ų | 81 | 59.6 Ų | 59.6 | 38% | 0.379 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.7 | -35.5 | 174.9 | -75.5 | -174.8 | 172.5 | 0 | 0 | 112.9 | V131 E132 V133 K138 K178 | V131-E135 WeakPolarHBondContact O-CG 3.43Å; V131-E135 PolarHBondContact O-N 3.1Å; E132-E135 PolarHBondContact O-N 3.44Å; V133-E135 PolarHBondContact O-N 3.47Å; E135-K138 WeakPolarHBondContact O-CB 3.38Å; E135-K138 PolarHBondContact O-N 3.13Å; E135-K178 VanDerWaalsContact OE1-CD 3.32Å; E135-K178 WeakPolarHBondContact OE1-CD 3.43Å; E135-K178 WeakPolarHBondContact OE1-CE 3.21Å; E135-K178 IonicContact OE1-NZ 3.33Å; E135-K178 PolarHBondContact OE1-NZ 2.91Å |
| 136 | T | 90.3 | Very high | 88.6 | Confident | 26 Ų | 26 | 54.6 Ų | 54.6 | 16% | 0.16 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.7 | -39 | 178.3 | -61.1 | 0 | 0 | 0 | 0 | 111.2 | W93 L97 E132 V133 N134 K139 | W93-T136 HydrophobicContact CH2-CG2 4.17Å; W93-T136 WeakPolarHBondContact CH2-OG1 3.41Å; L97-T136 HydrophobicContact CD1-CG2 4.26Å; L97-T136 HydrophobicContact CD2-CG2 4.24Å; E132-T136 PolarHBondContact O-N 2.86Å; E132-T136 VanDerWaalsContact O-N 3.08Å; E132-T136 PolarHBondContact O-OG1 3.41Å; E132-T136 VanDerWaalsContact O-OG1 3.07Å; V133-T136 PolarHBondContact O-N 3.34Å; N134-T136 VanDerWaalsContact C-N 3.26Å; N134-T136 PolarHBondContact O-N 3.07Å; T136-K139 WeakPolarHBondContact O-CB 3.33Å; T136-K139 WeakPolarHBondContact O-CG 3.32Å; T136-K139 PolarHBondContact O-N 2.95Å |
| 137 | L | 89.2 | Confident | 88.9 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -75 | -23.8 | 176.4 | -67.8 | 171.5 | 0 | 0 | 0 | 113.1 | L100 W119 V133 N134 K139 F140 I141 | L100-L137 HydrophobicContact CD1-CD2 3.88Å; W119-L137 HydrophobicContact CB-CD1 3.55Å; W119-L137 VanDerWaalsContact CD1-CD1 3.45Å; W119-L137 HydrophobicContact CD2-CD1 3.82Å; W119-L137 HydrophobicContact CG-CD1 3.32Å; V133-L137 HydrophobicContact CG1-CD1 4.08Å; V133-L137 WeakPolarHBondContact O-CG 3.34Å; V133-L137 PolarHBondContact O-N 3.5Å; V133-L137 VanDerWaalsContact O-N 3.08Å; N134-L137 PolarHBondContact O-N 3.28Å; L137-K139 PolarHBondContact O-N 3.45Å; L137-K139 VanDerWaalsContact O-N 3.09Å; L137-F140 PolarHBondContact O-N 3.16Å; L137-I141 PolarHBondContact O-N 3.18Å |
| 138 | K | 89.4 | Confident | 89.2 | Confident | 70 Ų | 70 | 47.9 Ų | 47.9 | 30% | 0.304 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -21.1 | 171.6 | -84.8 | -179.9 | 167.9 | 179 | 0 | 113.6 | N134 E135 F140 I141 P144 E165 | N134-K138 WeakPolarHBondContact O-CG 3.24Å; N134-K138 PolarHBondContact O-N 2.94Å; E135-K138 WeakPolarHBondContact O-CB 3.38Å; E135-K138 PolarHBondContact O-N 3.13Å; K138-F140 PolarHBondContact O-N 3.05Å; K138-I141 CarbonylContact C-O 3.5Å; K138-I141 VanDerWaalsContact CA-O 3.26Å; K138-I141 WeakPolarHBondContact CA-O 3.17Å; K138-P144 HydrophobicContact CG-CG 3.7Å; K138-E165 WeakPolarHBondContact CE-OE2 3.27Å; K138-E165 IonicContact NZ-OE1 3.74Å; K138-E165 PolarHBondContact NZ-OE1 3.09Å; K138-E165 IonicContact NZ-OE2 2.78Å; K138-E165 PolarHBondContact NZ-OE2 3.08Å |
| 139 | K | 87.5 | Confident | 89.5 | Confident | 160 Ų | 160 | 39.5 Ų | 39.5 | 70% | 0.696 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -24.9 | 173 | -63 | 177.3 | -175.2 | 170.7 | 0 | 113 | T136 L137 | T136-K139 WeakPolarHBondContact O-CB 3.33Å; T136-K139 WeakPolarHBondContact O-CG 3.32Å; T136-K139 PolarHBondContact O-N 2.95Å; L137-K139 PolarHBondContact O-N 3.45Å; L137-K139 VanDerWaalsContact O-N 3.09Å |
| 140 | F | 83.9 | Confident | 89.3 | Confident | 74 Ų | 74 | 41.8 Ų | 41.8 | 33% | 0.325 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -22.6 | -179 | -61 | -84.1 | 0 | 0 | 0 | 113 | L97 L100 E101 L137 K138 | L97-F140 HydrophobicContact CD2-CE2 3.93Å; L97-F140 HydrophobicContact CD2-CZ 4.41Å; L100-F140 HydrophobicContact CD2-CD1 4.01Å; L100-F140 HydrophobicContact CD2-CD2 4.3Å; L100-F140 HydrophobicContact CD2-CE1 3.92Å; L100-F140 HydrophobicContact CD2-CE2 4.23Å; L100-F140 HydrophobicContact CD2-CG 4.19Å; L100-F140 HydrophobicContact CD2-CZ 4.03Å; E101-F140 HydrophobicContact CG-CE1 3.85Å; E101-F140 HydrophobicContact CG-CZ 4.38Å; E101-F140 WeakPolarHBondContact OE1-CE1 3.42Å; L137-F140 PolarHBondContact O-N 3.16Å; K138-F140 PolarHBondContact O-N 3.05Å |
| 141 | I | 84.9 | Confident | 88.6 | Confident | 22 Ų | 22 | 43.1 Ų | 43.1 | 11% | 0.113 | 22% | 0.215 | C | C | . | . | trans | -141.3 | 129.8 | -171.8 | -46.3 | 168.6 | 0 | 0 | 0 | 109.1 | I116 L137 K138 T143 P144 | I116-I141 HydrophobicContact CB-CD1 3.84Å; I116-I141 HydrophobicContact CB-CG1 4.06Å; I116-I141 HydrophobicContact CG2-CD1 3.31Å; I116-I141 HydrophobicContact CG2-CG1 4.04Å; L137-I141 PolarHBondContact O-N 3.18Å; K138-I141 CarbonylContact C-O 3.5Å; K138-I141 VanDerWaalsContact CA-O 3.26Å; K138-I141 WeakPolarHBondContact CA-O 3.17Å; I141-T143 PolarHBondContact O-N 3.23Å; I141-P144 HydrophobicContact CD1-CB 4.34Å | ||
| 142 | D | 81.9 | Confident | 87.9 | Confident | 153 Ų | 153 | 49.5 Ų | 49.5 | 82% | 0.818 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -62.4 | -42.9 | 179.8 | -61.8 | -34.1 | 0 | 0 | 0 | 112.4 | ||
| 143 | T | 86.4 | Confident | 87.1 | Confident | 68 Ų | 68 | 51.5 Ų | 51.5 | 42% | 0.417 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -133 | 79.4 | -177.1 | 58.6 | 0 | 0 | 0 | 0 | 111.5 | P29 I141 V145 | P29-T143 HydrophobicContact CB-CG2 4.08Å; P29-T143 HydrophobicContact CG-CG2 4.03Å; I141-T143 PolarHBondContact O-N 3.23Å; T143-V145 PolarHBondContact O-N 3.14Å |
| 144 | P | 91.3 | Very high | 86.4 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.019 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 130.1 | 178.3 | 27 | -33.7 | 0 | 0 | 0 | 111.4 | N134 K138 I141 | N134-P144 WeakPolarHBondContact OD1-CG 3.31Å; K138-P144 HydrophobicContact CG-CG 3.7Å; I141-P144 HydrophobicContact CD1-CB 4.34Å |
| 145 | V | 93.1 | Very high | 85.3 | Confident | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.018 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 129.8 | 168.5 | 177.8 | 0 | 0 | 0 | 0 | 109.3 | V30 V33 V73 V117 G118 W119 T143 I147 | V30-V145 HydrophobicContact CG1-CG2 4.48Å; V30-V145 HydrophobicContact CG2-CG2 4.12Å; V33-V145 HydrophobicContact CG1-CG1 4.42Å; V33-V145 HydrophobicContact CG2-CG1 3.83Å; V73-V145 HydrophobicContact CG2-CG2 4.15Å; V117-V145 PolarHBondContact O-N 3.42Å; G118-V145 CarbonylContact C-O 3.53Å; G118-V145 VanDerWaalsContact CA-O 3.25Å; G118-V145 WeakPolarHBondContact CA-O 3.49Å; W119-V145 PolarHBondContact N-O 3.5Å; T143-V145 PolarHBondContact O-N 3.14Å; V145-I147 HydrophobicContact CG1-CG1 4.1Å |
| 146 | L | 94.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 124.8 | 172.1 | 164.6 | 57.7 | 0 | 0 | 0 | 109.6 | W119 H121 L126 V148 A162 Y163 F180 | W119-L146 HydrophobicContact CD2-CD1 3.9Å; W119-L146 HydrophobicContact CE3-CD1 3.86Å; W119-L146 HydrophobicContact CH2-CD1 3.72Å; W119-L146 HydrophobicContact CH2-CD2 4.21Å; W119-L146 HydrophobicContact CZ2-CB 4.28Å; W119-L146 HydrophobicContact CZ2-CD1 3.72Å; W119-L146 HydrophobicContact CZ2-CD2 3.99Å; W119-L146 HydrophobicContact CZ2-CG 4.2Å; W119-L146 HydrophobicContact CZ3-CD1 3.78Å; W119-L146 WeakPolarHBondContact O-CA 2.98Å; H121-L146 WeakPolarHBondContact CD2-CD1 3.35Å; L126-L146 HydrophobicContact CD2-CD2 3.6Å; L146-V148 HydrophobicContact CD1-CG2 4.34Å; L146-V148 HydrophobicContact CD2-CG2 4.49Å; L146-V148 HydrophobicContact CG-CG2 4.3Å; L146-A162 CarbonylContact O-C 3.58Å; L146-A162 WeakPolarHBondContact O-CA 3.24Å; L146-Y163 HydrophobicContact CD2-CD2 4.44Å; L146-Y163 HydrophobicContact CG-CD2 4.38Å; L146-Y163 PolarHBondContact N-O 3.03Å; L146-Y163 PolarHBondContact O-N 3.39Å; L146-F180 HydrophobicContact CB-CE1 4.3Å; L146-F180 HydrophobicContact CD2-CD1 4.14Å; L146-F180 HydrophobicContact CD2-CE1 3.93Å; L146-F180 HydrophobicContact CD2-CE2 4.31Å; L146-F180 HydrophobicContact CD2-CG 4.43Å; L146-F180 HydrophobicContact CD2-CZ 4.02Å |
| 147 | I | 94 | Very high | 83.8 | Confident | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 120.8 | 171.5 | -57.4 | -173.8 | 0 | 0 | 0 | 110.3 | V33 V35 L63 V75 W119 Y120 H121 V145 V149 L160 A162 | V33-I147 HydrophobicContact CG1-CD1 3.84Å; V35-I147 HydrophobicContact CG2-CD1 3.67Å; L63-I147 HydrophobicContact CD1-CB 3.89Å; L63-I147 HydrophobicContact CD1-CD1 3.46Å; L63-I147 VanDerWaalsContact CD1-CD1 3.46Å; L63-I147 HydrophobicContact CD1-CG1 3.54Å; V75-I147 HydrophobicContact CG2-CD1 3.97Å; W119-I147 PolarHBondContact O-N 3.44Å; Y120-I147 WeakPolarHBondContact CA-O 3.28Å; Y120-I147 VanDerWaalsContact CB-O 3.29Å; Y120-I147 WeakPolarHBondContact CB-O 3.39Å; H121-I147 PolarHBondContact N-O 2.88Å; H121-I147 VanDerWaalsContact N-O 3.15Å; V145-I147 HydrophobicContact CG1-CG1 4.1Å; I147-V149 HydrophobicContact CG2-CG2 3.87Å; I147-L160 HydrophobicContact CG2-CD1 3.53Å; I147-A162 HydrophobicContact CG1-CB 4.47Å |
| 148 | V | 93 | Very high | 83.4 | Confident | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.018 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 113.5 | 171.8 | -172.5 | 0 | 0 | 0 | 0 | 108.3 | H121 L126 L146 T161 Y163 | H121-V148 VanDerWaalsContact NE2-CG2 3.32Å; H121-V148 WeakPolarHBondContact NE2-CG2 3.38Å; L126-V148 HydrophobicContact CD2-CG2 3.83Å; L146-V148 HydrophobicContact CD1-CG2 4.34Å; L146-V148 HydrophobicContact CD2-CG2 4.49Å; L146-V148 HydrophobicContact CG-CG2 4.3Å; V148-T161 PolarHBondContact N-O 3.39Å; V148-T161 PolarHBondContact O-N 3.46Å; V148-Y163 HydrophobicContact CB-CE2 4.22Å; V148-Y163 HydrophobicContact CG2-CD2 3.81Å; V148-Y163 HydrophobicContact CG2-CE2 3.59Å |
| 149 | V | 90.8 | Very high | 83.1 | Confident | 6 Ų | 6 | 64.3 Ų | 64.3 | 4% | 0.036 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 122.3 | 175.1 | -175.6 | 0 | 0 | 0 | 0 | 108.5 | V43 H121 S122 G123 I147 A151 | V43-V149 HydrophobicContact CB-CG1 4.45Å; V43-V149 HydrophobicContact CG1-CB 3.94Å; V43-V149 HydrophobicContact CG1-CG1 4.12Å; V43-V149 HydrophobicContact CG1-CG2 4.32Å; V43-V149 HydrophobicContact CG2-CG2 4.34Å; H121-V149 PolarHBondContact O-N 3.29Å; S122-V149 WeakPolarHBondContact CA-O 3.43Å; G123-V149 PolarHBondContact N-O 2.95Å; I147-V149 HydrophobicContact CG2-CG2 3.87Å; V149-A151 PolarHBondContact O-N 3.35Å |
| 150 | R | 85 | Confident | 83.2 | Confident | 71 Ų | 71 | 56.8 Ų | 56.8 | 27% | 0.268 | 32% | 0.316 | S | S | . | . | trans | -79.3 | 115 | 175.2 | -67.9 | -178.4 | 174.6 | 156.2 | -1.8 | 109.3 | K152 M154 P159 | R150-K152 VanDerWaalsContact C-N 3.27Å; R150-K152 PolarHBondContact O-N 3.18Å; R150-M154 WeakPolarHBondContact CD-SD 3.25Å; R150-M154 PolarHBondContact NH1-SD 3.37Å; R150-P159 PolarHBondContact N-O 2.84Å | ||
| 151 | A | 74.7 | Confident | 83.5 | Confident | 28 Ų | 28 | 54.6 Ų | 54.6 | 23% | 0.231 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -71 | -22.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F47 V149 | F47-A151 HydrophobicContact CD1-CB 3.8Å; F47-A151 HydrophobicContact CD2-CB 4.2Å; F47-A151 HydrophobicContact CE1-CB 4.02Å; F47-A151 HydrophobicContact CE2-CB 4.4Å; F47-A151 HydrophobicContact CG-CB 3.89Å; F47-A151 HydrophobicContact CZ-CB 4.32Å; V149-A151 PolarHBondContact O-N 3.35Å |
| 152 | K | 75.9 | Confident | 83.9 | Confident | 171 Ų | 171 | 53.5 Ų | 53.5 | 74% | 0.743 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -91.7 | 131.1 | 175.5 | -66.6 | -178.4 | -178.3 | 175.8 | 0 | 109.7 | R150 M154 | R150-K152 VanDerWaalsContact C-N 3.27Å; R150-K152 PolarHBondContact O-N 3.18Å; K152-M154 PolarHBondContact O-N 3.38Å |
| 153 | P | 72.4 | Confident | 84.4 | Confident | 133 Ų | 133 | 48.2 Ų | 48.2 | 86% | 0.864 | 27% | 0.273 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 132.5 | 178.5 | 27.6 | -33.5 | 0 | 0 | 0 | 109.9 | ||
| 154 | M | 74.4 | Confident | 84.7 | Confident | 89 Ų | 89 | 45.3 Ų | 45.3 | 44% | 0.438 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -100.2 | 148.4 | 170.3 | -68.8 | -177 | 66.3 | 0 | 0 | 109.7 | R150 K152 V156 | R150-M154 WeakPolarHBondContact CD-SD 3.25Å; R150-M154 PolarHBondContact NH1-SD 3.37Å; K152-M154 PolarHBondContact O-N 3.38Å; M154-V156 VanDerWaalsContact C-N 3.28Å; M154-V156 PolarHBondContact O-N 3.24Å |
| 155 | E | 68.2 | Low | 84.5 | Confident | 173 Ų | 173 | 46.3 Ų | 46.3 | 81% | 0.808 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -66.8 | -32.1 | 176.9 | -67.4 | -166.6 | -177.3 | 0 | 0 | 112.4 | K224 | E155-K224 IonicContact OE2-NZ 3.73Š|
| 156 | V | 75.6 | Confident | 84.1 | Confident | 16 Ų | 16 | 48 Ų | 48 | 10% | 0.097 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -144.5 | 141.2 | -173.6 | -170.7 | 0 | 0 | 0 | 0 | 110.4 | M154 V221 K224 L228 | M154-V156 VanDerWaalsContact C-N 3.28Å; M154-V156 PolarHBondContact O-N 3.24Å; V156-V221 HydrophobicContact CG1-CG1 4.06Å; V156-K224 HydrophobicContact CG2-CB 3.81Å; V156-K224 HydrophobicContact CG2-CD 4.15Å; V156-L228 HydrophobicContact CB-CD1 4.01Å; V156-L228 HydrophobicContact CG2-CD1 4.46Å |
| 157 | G | 75 | Confident | 83.6 | Confident | 63 Ų | 63 | 53.5 Ų | 53.5 | 65% | 0.649 | 29% | 0.293 | S | S | * | . | S | Bend | trans | 108.3 | 167.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 158 | S | 79.2 | Confident | 82.6 | Confident | 57 Ų | 57 | 57.8 Ų | 57.8 | 40% | 0.399 | 31% | 0.312 | S | S | . | . | trans | -72.7 | 131.2 | 170.5 | 176.1 | 0 | 0 | 0 | 0 | 108.9 | L160 | S158-L160 PolarHBondContact O-N 2.94Å; S158-L160 VanDerWaalsContact O-N 3.17Å; S158-L160 PolarHBondContact OG-N 3.3Å; S158-L160 PolarHBondContact OG-O 2.86Å | ||
| 159 | P | 84.1 | Confident | 81.8 | Confident | 56 Ų | 56 | 63 Ų | 63 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -70.1 | -6.4 | 173.2 | 31.5 | -35.9 | 0 | 0 | 0 | 112.7 | M40 R150 | M40-P159 HydrophobicContact SD-CG 4.19Å; R150-P159 PolarHBondContact N-O 2.84Å |
| 160 | L | 89.5 | Confident | 80.7 | Confident | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 127.9 | -172.6 | 130.4 | 77 | 0 | 0 | 0 | 108.8 | V35 I147 S158 S185 V187 | V35-L160 HydrophobicContact CB-CD2 3.97Å; V35-L160 HydrophobicContact CG2-CD1 3.87Å; V35-L160 HydrophobicContact CG2-CD2 3.83Å; I147-L160 HydrophobicContact CG2-CD1 3.53Å; S158-L160 PolarHBondContact O-N 2.94Å; S158-L160 VanDerWaalsContact O-N 3.17Å; S158-L160 PolarHBondContact OG-N 3.3Å; S158-L160 PolarHBondContact OG-O 2.86Å; L160-S185 PolarHBondContact O-OG 2.89Å; L160-V187 HydrophobicContact CD2-CG2 3.62Å |
| 161 | T | 90.5 | Very high | 79.9 | Confident | 28 Ų | 28 | 69.8 Ų | 69.8 | 17% | 0.172 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 131.2 | 167.2 | 50.2 | 0 | 0 | 0 | 0 | 108.7 | V148 Y163 L182 | V148-T161 PolarHBondContact N-O 3.39Å; V148-T161 PolarHBondContact O-N 3.46Å; T161-Y163 WeakPolarHBondContact OG1-CE2 3.39Å; T161-L182 HydrophobicContact CG2-CD1 4.4Å |
| 162 | A | 93.1 | Very high | 79.6 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 135.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | V33 L146 I147 L182 R183 | V33-A162 HydrophobicContact CB-CB 4.01Å; V33-A162 HydrophobicContact CG1-CB 4.37Å; V33-A162 HydrophobicContact CG2-CB 3.85Å; L146-A162 CarbonylContact O-C 3.58Å; L146-A162 WeakPolarHBondContact O-CA 3.24Å; I147-A162 HydrophobicContact CG1-CB 4.47Å; A162-L182 WeakPolarHBondContact O-CA 3.35Å; A162-L182 WeakPolarHBondContact O-CD1 3.29Å; A162-R183 PolarHBondContact O-N 2.92Å |
| 163 | Y | 93 | Very high | 79.1 | Confident | 42 Ų | 42 | 70.5 Ų | 70.5 | 17% | 0.165 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 150.7 | -179.3 | -60.8 | -84.5 | 0 | 0 | 0 | 110.7 | L126 L146 V148 T161 F180 A181 L182 | L126-Y163 HydrophobicContact CD1-CD1 4.2Å; L126-Y163 HydrophobicContact CD1-CE1 3.92Å; L126-Y163 HydrophobicContact CD1-CE2 4.29Å; L126-Y163 HydrophobicContact CD2-CD2 4.06Å; L126-Y163 HydrophobicContact CD2-CE2 4.06Å; L126-Y163 HydrophobicContact CG-CE2 4.32Å; L146-Y163 HydrophobicContact CD2-CD2 4.44Å; L146-Y163 HydrophobicContact CG-CD2 4.38Å; L146-Y163 PolarHBondContact N-O 3.03Å; L146-Y163 PolarHBondContact O-N 3.39Å; V148-Y163 HydrophobicContact CB-CE2 4.22Å; V148-Y163 HydrophobicContact CG2-CD2 3.81Å; V148-Y163 HydrophobicContact CG2-CE2 3.59Å; T161-Y163 WeakPolarHBondContact OG1-CE2 3.39Å; Y163-F180 HydrophobicContact CD1-CB 4.06Å; Y163-F180 HydrophobicContact CG-CB 4.25Å; Y163-A181 CarbonylContact C-O 3.6Å; Y163-A181 VanDerWaalsContact CA-O 3.24Å; Y163-A181 WeakPolarHBondContact CA-O 3.29Å; Y163-L182 HydrophobicContact CD1-CD1 4.39Å; Y163-L182 HydrophobicContact CE1-CB 4.35Å; Y163-L182 HydrophobicContact CE1-CD1 3.9Å |
| 164 | I | 90.8 | Very high | 79.2 | Confident | 7 Ų | 7 | 66.6 Ų | 66.6 | 4% | 0.036 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 143.7 | 167.4 | -158.3 | 162.8 | 0 | 0 | 0 | 109.1 | P29 V30 M166 F180 A181 R183 | P29-I164 HydrophobicContact CG-CD1 3.72Å; V30-I164 HydrophobicContact CB-CD1 3.97Å; V30-I164 HydrophobicContact CG2-CD1 3.84Å; I164-M166 HydrophobicContact CG2-CG 4.14Å; I164-M166 PolarHBondContact O-N 2.93Å; I164-F180 WeakPolarHBondContact O-CA 3.34Å; I164-A181 HydrophobicContact CG2-CB 4.32Å; I164-A181 PolarHBondContact N-O 3.29Å; I164-A181 PolarHBondContact O-N 3.47Å; I164-R183 HydrophobicContact CB-CG 4.26Å; I164-R183 HydrophobicContact CG2-CG 3.94Å |
| 165 | E | 88.5 | Confident | 79.2 | Confident | 24 Ų | 24 | 67.9 Ų | 67.9 | 11% | 0.112 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 130.6 | 174.8 | -169.9 | -171.4 | 141.7 | 0 | 0 | 109.6 | N134 K138 K178 T179 F180 | N134-E165 PolarHBondContact ND2-OE2 3.49Å; K138-E165 WeakPolarHBondContact CE-OE2 3.27Å; K138-E165 IonicContact NZ-OE1 3.74Å; K138-E165 PolarHBondContact NZ-OE1 3.09Å; K138-E165 IonicContact NZ-OE2 2.78Å; K138-E165 PolarHBondContact NZ-OE2 3.08Å; E165-K178 HydrophobicContact CG-CB 4.19Å; E165-K178 HydrophobicContact CG-CG 4.49Å; E165-K178 WeakPolarHBondContact OE1-CD 3.34Å; E165-K178 VanDerWaalsContact OE1-CE 3.3Å; E165-K178 WeakPolarHBondContact OE1-CE 3.48Å; E165-K178 VanDerWaalsContact OE1-CG 3.28Å; E165-K178 WeakPolarHBondContact OE1-CG 3.46Å; E165-K178 IonicContact OE1-NZ 4Å; E165-T179 CarbonylContact C-O 3.49Å; E165-T179 WeakPolarHBondContact CA-O 3.26Å; E165-F180 HydrophobicContact CB-CD1 4.38Å; E165-F180 HydrophobicContact CB-CE1 4.11Å |
| 166 | M | 84.6 | Confident | 79.7 | Confident | 37 Ų | 37 | 63.3 Ų | 63.3 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 143 | 172.1 | -59.1 | -167.1 | -32.9 | 0 | 0 | 109 | F28 I164 K178 T179 A181 R183 | F28-M166 HydrophobicContact CD1-SD 3.84Å; F28-M166 HydrophobicContact CE1-CE 4.38Å; F28-M166 HydrophobicContact CE1-CG 4.22Å; F28-M166 HydrophobicContact CE1-SD 3.1Å; F28-M166 WeakPolarHBondContact CE1-SD 3.03Å; F28-M166 HydrophobicContact CZ-CE 4.42Å; F28-M166 HydrophobicContact CZ-SD 3.57Å; F28-M166 VanDerWaalsContact CZ-SD 3.57Å; I164-M166 HydrophobicContact CG2-CG 4.14Å; I164-M166 PolarHBondContact O-N 2.93Å; M166-K178 WeakPolarHBondContact O-CA 3.43Å; M166-T179 PolarHBondContact N-O 3.3Å; M166-T179 PolarHBondContact O-N 3.13Å; M166-T179 VanDerWaalsContact O-O 3.14Å; M166-T179 PolarHBondContact O-OG1 3.24Å; M166-A181 HydrophobicContact CE-CB 3.27Å; M166-A181 HydrophobicContact CG-CB 3.67Å; M166-A181 HydrophobicContact SD-CB 3.23Å; M166-A181 WeakPolarHBondContact SD-CB 3.37Å; M166-R183 PolarHBondContact SD-NH2 3.43Å |
| 167 | E | 82.6 | Confident | 79.9 | Confident | 117 Ų | 117 | 68.1 Ų | 68.1 | 55% | 0.547 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 105.7 | 169.8 | -67.7 | -172.6 | 172.4 | 0 | 0 | 108 | K178 | E167-K178 HydrophobicContact CG-CG 4Å; E167-K178 VanDerWaalsContact OE1-CE 3.26Å; E167-K178 WeakPolarHBondContact OE1-CE 3.47Å |
| 168 | E | 74.9 | Confident | 80.3 | Confident | 91 Ų | 91 | 68.3 Ų | 68.3 | 43% | 0.425 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 122.6 | 174.1 | -77.6 | 179.8 | 179.1 | 0 | 0 | 109.5 | Q170 K177 | E168-Q170 PolarHBondContact O-N 3.27Å; E168-K177 PolarHBondContact N-O 2.93Å; E168-K177 PolarHBondContact O-N 2.94Å |
| 169 | V | 75 | Confident | 80.6 | Confident | 113 Ų | 113 | 67.4 Ų | 67.4 | 69% | 0.685 | 37% | 0.371 | S | S | * | . | trans | -78.1 | 111.1 | 167.3 | -173.6 | 0 | 0 | 0 | 0 | 106.5 | T176 | V169-T176 HydrophobicContact CG2-CG2 4.01Š| ||
| 170 | Q | 68.4 | Low | 80.8 | Confident | 51 Ų | 51 | 66.5 Ų | 66.5 | 24% | 0.238 | 36% | 0.361 | C | S | . | . | trans | -64.6 | 137.9 | 172.6 | -91.9 | 154.4 | 98.3 | 0 | 0 | 109.6 | E168 D172 G173 S174 K177 | E168-Q170 PolarHBondContact O-N 3.27Å; Q170-D172 PolarHBondContact O-N 3.03Å; Q170-D172 VanDerWaalsContact O-N 3.12Å; Q170-G173 PolarHBondContact O-N 3.49Å; Q170-G173 VanDerWaalsContact O-N 3.1Å; Q170-S174 VanDerWaalsContact CD-OG 3.26Å; Q170-S174 PolarHBondContact NE2-OG 2.98Å; Q170-S174 PolarHBondContact OE1-OG 3.15Å; Q170-K177 VanDerWaalsContact NE2-CE 3.34Å; Q170-K177 VanDerWaalsContact NE2-CG 3.28Å | ||
| 171 | E | 67.3 | Low | 80.7 | Confident | 169 Ų | 169 | 67.1 Ų | 67.1 | 79% | 0.79 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -25.3 | 177.7 | -64.7 | -176.7 | 156.9 | 0 | 0 | 112.6 | G173 | E171-G173 PolarHBondContact O-N 2.95Å; E171-G173 VanDerWaalsContact O-N 3.13Å |
| 172 | D | 67.8 | Low | 80.6 | Confident | 145 Ų | 145 | 71 Ų | 71 | 78% | 0.775 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -1.3 | 178.4 | -62.4 | -22.8 | 0 | 0 | 0 | 114.3 | Q170 S174 | Q170-D172 PolarHBondContact O-N 3.03Å; Q170-D172 VanDerWaalsContact O-N 3.12Å; D172-S174 PolarHBondContact O-N 3.37Å |
| 173 | G | 67.1 | Low | 80.5 | Confident | 69 Ų | 69 | 72.1 Ų | 72.1 | 71% | 0.711 | 39% | 0.389 | S | S | * | . | trans | 70.3 | 10.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q170 E171 | Q170-G173 PolarHBondContact O-N 3.49Å; Q170-G173 VanDerWaalsContact O-N 3.1Å; E171-G173 PolarHBondContact O-N 2.95Å; E171-G173 VanDerWaalsContact O-N 3.13Å | ||
| 174 | S | 73.1 | Confident | 80.4 | Confident | 50 Ų | 50 | 74.1 Ų | 74.1 | 35% | 0.35 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 165.5 | 172.8 | 70.9 | 0 | 0 | 0 | 0 | 111.3 | Q170 D172 T176 | Q170-S174 VanDerWaalsContact CD-OG 3.26Å; Q170-S174 PolarHBondContact NE2-OG 2.98Å; Q170-S174 PolarHBondContact OE1-OG 3.15Å; D172-S174 PolarHBondContact O-N 3.37Å; S174-T176 PolarHBondContact O-N 2.85Å |
| 175 | T | 75.3 | Confident | 80.4 | Confident | 117 Ų | 117 | 75.5 Ų | 75.5 | 72% | 0.718 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -51.3 | 140.7 | 179.3 | 50.6 | 0 | 0 | 0 | 0 | 111.5 | K177 | T175-K177 PolarHBondContact O-N 3.38Š|
| 176 | T | 77.7 | Confident | 80.5 | Confident | 77 Ų | 77 | 78.5 Ų | 78.5 | 47% | 0.472 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -51.4 | 127.6 | 174.8 | 46 | 0 | 0 | 0 | 0 | 110.1 | V169 S174 | V169-T176 HydrophobicContact CG2-CG2 4.01Å; S174-T176 PolarHBondContact O-N 2.85Å |
| 177 | K | 80.6 | Confident | 80.8 | Confident | 116 Ų | 116 | 79.3 Ų | 79.3 | 50% | 0.504 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 132.5 | 173.2 | -79.9 | -178.2 | -168.5 | 152.4 | 0 | 108.2 | E168 Q170 T175 T179 | E168-K177 PolarHBondContact N-O 2.93Å; E168-K177 PolarHBondContact O-N 2.94Å; Q170-K177 VanDerWaalsContact NE2-CE 3.34Å; Q170-K177 VanDerWaalsContact NE2-CG 3.28Å; T175-K177 PolarHBondContact O-N 3.38Å; K177-T179 HydrophobicContact CB-CG2 4.42Å; K177-T179 PolarHBondContact O-N 3.03Å |
| 178 | K | 83.9 | Confident | 81.2 | Confident | 67 Ų | 67 | 76.9 Ų | 76.9 | 29% | 0.291 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 114.9 | 170.3 | -70.9 | 169.4 | 169.1 | -165.6 | 0 | 108 | V131 E135 E165 M166 E167 | V131-K178 HydrophobicContact CG1-CB 3.88Å; V131-K178 HydrophobicContact CG1-CD 4.24Å; E135-K178 VanDerWaalsContact OE1-CD 3.32Å; E135-K178 WeakPolarHBondContact OE1-CD 3.43Å; E135-K178 WeakPolarHBondContact OE1-CE 3.21Å; E135-K178 IonicContact OE1-NZ 3.33Å; E135-K178 PolarHBondContact OE1-NZ 2.91Å; E165-K178 HydrophobicContact CG-CB 4.19Å; E165-K178 HydrophobicContact CG-CG 4.49Å; E165-K178 WeakPolarHBondContact OE1-CD 3.34Å; E165-K178 VanDerWaalsContact OE1-CE 3.3Å; E165-K178 WeakPolarHBondContact OE1-CE 3.48Å; E165-K178 VanDerWaalsContact OE1-CG 3.28Å; E165-K178 WeakPolarHBondContact OE1-CG 3.46Å; E165-K178 IonicContact OE1-NZ 4Å; M166-K178 WeakPolarHBondContact O-CA 3.43Å; E167-K178 HydrophobicContact CG-CG 4Å; E167-K178 VanDerWaalsContact OE1-CE 3.26Å; E167-K178 WeakPolarHBondContact OE1-CE 3.47Å |
| 179 | T | 84.4 | Confident | 81.8 | Confident | 39 Ų | 39 | 75 Ų | 75 | 24% | 0.239 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 160.7 | 178.6 | 61.8 | 0 | 0 | 0 | 0 | 109.4 | E165 M166 K177 | E165-T179 CarbonylContact C-O 3.49Å; E165-T179 WeakPolarHBondContact CA-O 3.26Å; M166-T179 PolarHBondContact N-O 3.3Å; M166-T179 PolarHBondContact O-N 3.13Å; M166-T179 VanDerWaalsContact O-O 3.14Å; M166-T179 PolarHBondContact O-OG1 3.24Å; K177-T179 HydrophobicContact CB-CG2 4.42Å; K177-T179 PolarHBondContact O-N 3.03Å |
| 180 | F | 89 | Confident | 82.5 | Confident | 37 Ų | 37 | 75.2 Ų | 75.2 | 16% | 0.162 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 125.4 | 175.3 | -77.7 | -68.8 | 0 | 0 | 0 | 109.5 | L126 D130 V131 N134 L146 Y163 I164 E165 | L126-F180 HydrophobicContact CD1-CB 4.17Å; D130-F180 HydrophobicContact CB-CE2 3.79Å; D130-F180 HydrophobicContact CB-CZ 4.27Å; V131-F180 HydrophobicContact CG2-CE2 3.88Å; N134-F180 HydrophobicContact CB-CE1 4.44Å; N134-F180 HydrophobicContact CB-CZ 4.01Å; L146-F180 HydrophobicContact CB-CE1 4.3Å; L146-F180 HydrophobicContact CD2-CD1 4.14Å; L146-F180 HydrophobicContact CD2-CE1 3.93Å; L146-F180 HydrophobicContact CD2-CE2 4.31Å; L146-F180 HydrophobicContact CD2-CG 4.43Å; L146-F180 HydrophobicContact CD2-CZ 4.02Å; Y163-F180 HydrophobicContact CD1-CB 4.06Å; Y163-F180 HydrophobicContact CG-CB 4.25Å; I164-F180 WeakPolarHBondContact O-CA 3.34Å; E165-F180 HydrophobicContact CB-CD1 4.38Å; E165-F180 HydrophobicContact CB-CE1 4.11Å |
| 181 | A | 87.3 | Confident | 83.5 | Confident | 14 Ų | 14 | 80.2 Ų | 80.2 | 12% | 0.116 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 134.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y163 I164 M166 | Y163-A181 CarbonylContact C-O 3.6Å; Y163-A181 VanDerWaalsContact CA-O 3.24Å; Y163-A181 WeakPolarHBondContact CA-O 3.29Å; I164-A181 HydrophobicContact CG2-CB 4.32Å; I164-A181 PolarHBondContact N-O 3.29Å; I164-A181 PolarHBondContact O-N 3.47Å; M166-A181 HydrophobicContact CE-CB 3.27Å; M166-A181 HydrophobicContact CG-CB 3.67Å; M166-A181 HydrophobicContact SD-CB 3.23Å; M166-A181 WeakPolarHBondContact SD-CB 3.37Å |
| 182 | L | 88.7 | Confident | 84.6 | Confident | 110 Ų | 110 | 75.6 Ų | 75.6 | 58% | 0.576 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 135.8 | 177.8 | -173 | 71.9 | 0 | 0 | 0 | 110.4 | T161 A162 Y163 | T161-L182 HydrophobicContact CG2-CD1 4.4Å; A162-L182 WeakPolarHBondContact O-CA 3.35Å; A162-L182 WeakPolarHBondContact O-CD1 3.29Å; Y163-L182 HydrophobicContact CD1-CD1 4.39Å; Y163-L182 HydrophobicContact CE1-CB 4.35Å; Y163-L182 HydrophobicContact CE1-CD1 3.9Å |
| 183 | R | 90.6 | Very high | 85.7 | Confident | 22 Ų | 22 | 70.3 Ų | 70.3 | 8% | 0.083 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 144.1 | 171.6 | -66.1 | -67.5 | 156.8 | -160.2 | -5.9 | 111.1 | D26 F28 A162 I164 M166 S185 | D26-R183 IonicContact OD2-NH1 2.73Å; D26-R183 PolarHBondContact OD2-NH1 2.95Å; F28-R183 VanDerWaalsContact CG-CZ 3.4Å; A162-R183 PolarHBondContact O-N 2.92Å; I164-R183 HydrophobicContact CB-CG 4.26Å; I164-R183 HydrophobicContact CG2-CG 3.94Å; M166-R183 PolarHBondContact SD-NH2 3.43Å; R183-S185 PolarHBondContact O-N 2.73Å; R183-S185 VanDerWaalsContact O-N 3.14Å |
| 184 | P | 91 | Very high | 86.7 | Confident | 84 Ų | 84 | 72.6 Ų | 72.6 | 55% | 0.545 | 39% | 0.394 | S | S | . | . | trans | -56.2 | 121.2 | 175.7 | -24.1 | 33.4 | 0 | 0 | 0 | 111.1 | R32 V33 | R32-P184 HydrophobicContact CG-CB 4.47Å; R32-P184 WeakPolarHBondContact CG-O 3.17Å; V33-P184 PolarHBondContact N-O 3.47Å | ||
| 185 | S | 90.7 | Very high | 87.5 | Confident | 37 Ų | 37 | 75.3 Ų | 75.3 | 26% | 0.259 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 143 | 177 | 60.1 | 0 | 0 | 0 | 0 | 110.7 | V33 L160 R183 | V33-S185 CarbonylContact O-C 3.57Å; V33-S185 WeakPolarHBondContact O-CA 3.4Å; L160-S185 PolarHBondContact O-OG 2.89Å; R183-S185 PolarHBondContact O-N 2.73Å; R183-S185 VanDerWaalsContact O-N 3.14Å |
| 186 | K | 90.6 | Very high | 88.2 | Confident | 87 Ų | 87 | 71.3 Ų | 71.3 | 38% | 0.378 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 141.7 | 171.2 | -175.9 | 173 | 168.5 | -156.6 | 0 | 109.9 | V33 I34 V35 E188 | V33-K186 PolarHBondContact O-N 3.29Å; I34-K186 CarbonylContact C-O 3.58Å; I34-K186 WeakPolarHBondContact CA-O 3.26Å; V35-K186 PolarHBondContact N-O 2.92Å; K186-E188 HydrophobicContact CD-CG 3.93Å; K186-E188 VanDerWaalsContact CD-OE1 3.31Å; K186-E188 WeakPolarHBondContact CD-OE1 3.5Å; K186-E188 WeakPolarHBondContact CE-OE1 3.48Å; K186-E188 HydrophobicContact CG-CG 3.91Å; K186-E188 IonicContact NZ-OE1 3.86Å; K186-E188 PolarHBondContact NZ-OE1 2.97Å |
| 187 | V | 91.4 | Very high | 88.8 | Confident | 54 Ų | 54 | 70 Ų | 70 | 33% | 0.327 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 121.4 | 167.8 | -177.3 | 0 | 0 | 0 | 0 | 108 | V35 P37 M40 L160 | V35-V187 VanDerWaalsContact O-CA 3.29Å; V35-V187 WeakPolarHBondContact O-CA 3.21Å; P37-V187 HydrophobicContact CG-CG1 3.9Å; M40-V187 HydrophobicContact CE-CB 4.31Å; M40-V187 HydrophobicContact CE-CG1 3.5Å; M40-V187 VanDerWaalsContact CE-CG1 3.5Å; M40-V187 HydrophobicContact CE-CG2 3.8Å; M40-V187 HydrophobicContact SD-CG2 4.01Å; L160-V187 HydrophobicContact CD2-CG2 3.62Å |
| 188 | E | 90.4 | Very high | 89.1 | Confident | 65 Ų | 65 | 68.3 Ų | 68.3 | 30% | 0.304 | 37% | 0.371 | S | S | . | . | trans | -129.4 | 141.9 | 172.6 | -60.1 | -170.6 | 161.8 | 0 | 0 | 109 | I34 V35 H36 P37 K186 | I34-E188 HydrophobicContact CG2-CB 3.62Å; I34-E188 HydrophobicContact CG2-CG 3.82Å; V35-E188 PolarHBondContact O-N 3.38Å; H36-E188 WeakPolarHBondContact CA-O 3.35Å; P37-E188 VanDerWaalsContact CD-O 3.29Å; P37-E188 WeakPolarHBondContact CD-O 3.5Å; K186-E188 HydrophobicContact CD-CG 3.93Å; K186-E188 VanDerWaalsContact CD-OE1 3.31Å; K186-E188 WeakPolarHBondContact CD-OE1 3.5Å; K186-E188 WeakPolarHBondContact CE-OE1 3.48Å; K186-E188 HydrophobicContact CG-CG 3.91Å; K186-E188 IonicContact NZ-OE1 3.86Å; K186-E188 PolarHBondContact NZ-OE1 2.97Å | ||
| 189 | S | 88.3 | Confident | 89.3 | Confident | 51 Ų | 51 | 70.3 Ų | 70.3 | 36% | 0.357 | 38% | 0.381 | S | S | . | . | trans | -103.9 | 144.1 | 179.3 | -48.9 | 0 | 0 | 0 | 0 | 109.8 | P37 | P37-S189 VanDerWaalsContact CG-OG 3.26Å; P37-S189 WeakPolarHBondContact CG-OG 3.3Å | ||
| 190 | E | 89.1 | Confident | 89.5 | Confident | 119 Ų | 119 | 74.4 Ų | 74.4 | 56% | 0.556 | 40% | 0.401 | S | S | * | . | trans | -71.8 | 155.7 | 161.2 | -170.7 | 169.5 | -179 | 0 | 0 | 110.2 | A192 E193 E194 | E190-A192 PolarHBondContact O-N 2.98Å; E190-A192 VanDerWaalsContact O-N 3.16Å; E190-E193 HydrophobicContact CB-CG 4.47Å; E190-E193 CarbonylContact O-C 3.53Å; E190-E193 WeakPolarHBondContact O-CA 3.39Å; E190-E193 WeakPolarHBondContact O-CB 3.32Å; E190-E193 PolarHBondContact O-N 3.25Å; E190-E194 PolarHBondContact O-N 3.33Å | ||
| 191 | E | 89.9 | Confident | 89.4 | Confident | 155 Ų | 155 | 76.2 Ų | 76.2 | 72% | 0.724 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -52.9 | -40.7 | -178 | -174.3 | 179.2 | -179.6 | 0 | 0 | 112.5 | E194 I195 | E191-E194 PolarHBondContact O-N 3.47Å; E191-I195 WeakPolarHBondContact O-CG1 3.42Å; E191-I195 PolarHBondContact O-N 3.04Å |
| 192 | A | 90.4 | Very high | 89.2 | Confident | 73 Ų | 73 | 82.4 Ų | 82.4 | 60% | 0.603 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -66.2 | -39.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E190 G196 | E190-A192 PolarHBondContact O-N 2.98Å; E190-A192 VanDerWaalsContact O-N 3.16Å; A192-G196 PolarHBondContact O-N 3.3Å |
| 193 | E | 90.1 | Very high | 88.8 | Confident | 34 Ų | 34 | 84.9 Ų | 84.9 | 16% | 0.159 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -70.2 | -36.9 | 175.8 | -71.1 | -171.4 | -151.4 | 0 | 0 | 111.6 | H36 P37 L38 E190 I195 G196 V197 | H36-E193 IonicContact CE1-OE1 2.96Å; H36-E193 IonicContact CG-OE1 3.85Å; H36-E193 IonicContact ND1-OE1 2.67Å; H36-E193 PolarHBondContact ND1-OE1 2.97Å; H36-E193 IonicContact ND1-OE2 2.7Å; P37-E193 VanDerWaalsContact CD-OE2 3.3Å; P37-E193 WeakPolarHBondContact CD-OE2 3.45Å; L38-E193 PolarHBondContact N-OE2 2.94Å; E190-E193 HydrophobicContact CB-CG 4.47Å; E190-E193 CarbonylContact O-C 3.53Å; E190-E193 WeakPolarHBondContact O-CA 3.39Å; E190-E193 WeakPolarHBondContact O-CB 3.32Å; E190-E193 PolarHBondContact O-N 3.25Å; E193-I195 VanDerWaalsContact C-N 3.35Å; E193-I195 PolarHBondContact O-N 3.36Å; E193-G196 WeakPolarHBondContact O-CA 3.48Å; E193-G196 PolarHBondContact O-N 3.42Å; E193-G196 VanDerWaalsContact O-N 3.11Å; E193-V197 VanDerWaalsContact O-CG2 3.32Å; E193-V197 WeakPolarHBondContact O-CG2 3.31Å; E193-V197 PolarHBondContact O-N 2.94Å |
| 194 | E | 88 | Confident | 88.1 | Confident | 117 Ų | 117 | 89.3 Ų | 89.3 | 55% | 0.547 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.3 | -46.5 | 178.8 | -173.4 | 173.2 | -172.2 | 0 | 0 | 110.9 | E190 E191 G196 V197 E198 | E190-E194 PolarHBondContact O-N 3.33Å; E191-E194 PolarHBondContact O-N 3.47Å; E194-G196 VanDerWaalsContact C-N 3.29Å; E194-G196 PolarHBondContact O-N 3.33Å; E194-V197 PolarHBondContact O-N 2.89Å; E194-E198 WeakPolarHBondContact O-CB 3.4Å; E194-E198 PolarHBondContact O-N 3.36Å |
| 195 | I | 90.6 | Very high | 86.9 | Confident | 106 Ų | 106 | 91.5 Ų | 91.5 | 54% | 0.544 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.2 | -41.9 | 175.5 | -63.4 | 166.1 | 0 | 0 | 0 | 110.9 | E191 E193 H199 | E191-I195 WeakPolarHBondContact O-CG1 3.42Å; E191-I195 PolarHBondContact O-N 3.04Å; E193-I195 VanDerWaalsContact C-N 3.35Å; E193-I195 PolarHBondContact O-N 3.36Å; I195-H199 WeakPolarHBondContact O-CB 3.45Å; I195-H199 PolarHBondContact O-N 2.88Å |
| 196 | G | 89.6 | Confident | 85.6 | Confident | 34 Ų | 34 | 96.1 Ų | 96.1 | 35% | 0.351 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.7 | -48.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A192 E193 E194 H199 L200 | A192-G196 PolarHBondContact O-N 3.3Å; E193-G196 WeakPolarHBondContact O-CA 3.48Å; E193-G196 PolarHBondContact O-N 3.42Å; E193-G196 VanDerWaalsContact O-N 3.11Å; E194-G196 VanDerWaalsContact C-N 3.29Å; E194-G196 PolarHBondContact O-N 3.33Å; G196-H199 WeakPolarHBondContact O-CB 3.46Å; G196-H199 PolarHBondContact O-N 2.97Å; G196-L200 WeakPolarHBondContact O-CG 3.41Å; G196-L200 PolarHBondContact O-N 3.38Å |
| 197 | V | 89.3 | Confident | 84.2 | Confident | 48 Ų | 48 | 98.1 Ų | 98.1 | 29% | 0.291 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 177.8 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | P37 E193 E194 H199 L200 L201 | P37-V197 HydrophobicContact CB-CG2 4.09Å; P37-V197 HydrophobicContact CG-CG2 4.37Å; E193-V197 VanDerWaalsContact O-CG2 3.32Å; E193-V197 WeakPolarHBondContact O-CG2 3.31Å; E193-V197 PolarHBondContact O-N 2.94Å; E194-V197 PolarHBondContact O-N 2.89Å; V197-H199 PolarHBondContact O-N 3.49Å; V197-L200 PolarHBondContact O-N 3.13Å; V197-L201 HydrophobicContact CG1-CD1 3.65Å; V197-L201 HydrophobicContact CG1-CG 4.22Å; V197-L201 WeakPolarHBondContact O-CB 3.32Å; V197-L201 VanDerWaalsContact O-CG 3.3Å; V197-L201 WeakPolarHBondContact O-CG 3.45Å; V197-L201 PolarHBondContact O-N 2.68Å |
| 198 | E | 87.1 | Confident | 82.6 | Confident | 82 Ų | 82 | 102.3 Ų | 102.3 | 38% | 0.383 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.7 | -32.5 | 178.7 | -158.8 | -150 | 140.5 | 0 | 0 | 112.2 | E194 R202 R207 | E194-E198 WeakPolarHBondContact O-CB 3.4Å; E194-E198 PolarHBondContact O-N 3.36Å; E198-R202 WeakPolarHBondContact O-CG 3.44Å; E198-R207 PolarHBondContact O-NH2 3.13Å; E198-R207 VanDerWaalsContact O-NH2 3.13Å; E198-R207 IonicContact OE1-CZ 3.68Å; E198-R207 IonicContact OE1-NH1 2.62Å; E198-R207 PolarHBondContact OE1-NH1 3.26Å; E198-R207 IonicContact OE1-NH2 3.43Å; E198-R207 PolarHBondContact OE1-NH2 3.22Å |
| 199 | H | 89.7 | Confident | 81.3 | Confident | 108 Ų | 108 | 102 Ų | 102 | 50% | 0.5 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.1 | -46.4 | 173.4 | -172 | 79.6 | 0 | 0 | 0 | 111.9 | I195 G196 V197 L201 R202 | I195-H199 WeakPolarHBondContact O-CB 3.45Å; I195-H199 PolarHBondContact O-N 2.88Å; G196-H199 WeakPolarHBondContact O-CB 3.46Å; G196-H199 PolarHBondContact O-N 2.97Å; V197-H199 PolarHBondContact O-N 3.49Å; H199-L201 VanDerWaalsContact C-N 3.26Å; H199-L201 PolarHBondContact O-N 2.99Å; H199-R202 VanDerWaalsContact ND1-CZ 3.34Å; H199-R202 WeakPolarHBondContact O-CG 3.1Å; H199-R202 PolarHBondContact O-N 3.43Å |
| 200 | L | 88 | Confident | 80.6 | Confident | 126 Ų | 126 | 101.7 Ų | 101.7 | 66% | 0.66 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.1 | -31.3 | 177.9 | -68.2 | 172.4 | 0 | 0 | 0 | 112.6 | G196 V197 R202 | G196-L200 WeakPolarHBondContact O-CG 3.41Å; G196-L200 PolarHBondContact O-N 3.38Å; V197-L200 PolarHBondContact O-N 3.13Å; L200-R202 VanDerWaalsContact C-N 3.35Å; L200-R202 PolarHBondContact O-N 3.31Å |
| 201 | L | 87.2 | Confident | 80.4 | Confident | 75 Ų | 75 | 102 Ų | 102 | 39% | 0.393 | 55% | 0.549 | S | S | . | . | G | 310 helix | trans | -87.6 | 7.2 | -178.9 | -67.5 | 177.7 | 0 | 0 | 0 | 114.4 | V197 H199 D203 V204 K205 | V197-L201 HydrophobicContact CG1-CD1 3.65Å; V197-L201 HydrophobicContact CG1-CG 4.22Å; V197-L201 WeakPolarHBondContact O-CB 3.32Å; V197-L201 VanDerWaalsContact O-CG 3.3Å; V197-L201 WeakPolarHBondContact O-CG 3.45Å; V197-L201 PolarHBondContact O-N 2.68Å; H199-L201 VanDerWaalsContact C-N 3.26Å; H199-L201 PolarHBondContact O-N 2.99Å; L201-D203 PolarHBondContact O-N 2.66Å; L201-V204 HydrophobicContact CD2-CB 4.45Å; L201-V204 PolarHBondContact O-N 2.67Å; L201-K205 HydrophobicContact CB-CB 4.48Å; L201-K205 WeakPolarHBondContact O-CB 3.23Å; L201-K205 PolarHBondContact O-N 2.7Å |
| 202 | R | 83 | Confident | 80.1 | Confident | 144 Ų | 144 | 100.9 Ų | 100.9 | 54% | 0.543 | 55% | 0.547 | S | S | . | . | G | 310 helix | trans | -58.6 | -32.6 | -180 | -76 | 177.8 | 179.2 | -168.2 | 1.8 | 113.5 | E198 H199 L200 | E198-R202 WeakPolarHBondContact O-CG 3.44Å; H199-R202 VanDerWaalsContact ND1-CZ 3.34Å; H199-R202 WeakPolarHBondContact O-CG 3.1Å; H199-R202 PolarHBondContact O-N 3.43Å; L200-R202 VanDerWaalsContact C-N 3.35Å; L200-R202 PolarHBondContact O-N 3.31Å |
| 203 | D | 80 | Confident | 79.9 | Confident | 162 Ų | 162 | 99.5 Ų | 99.5 | 87% | 0.866 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -85.4 | -17.4 | -177.7 | -63.6 | -17 | 0 | 0 | 0 | 113.1 | L201 | L201-D203 PolarHBondContact O-N 2.66Š|
| 204 | V | 76.1 | Confident | 79.7 | Confident | 114 Ų | 114 | 102.2 Ų | 102.2 | 69% | 0.691 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | -36.7 | -174.7 | -178.4 | 0 | 0 | 0 | 0 | 111.9 | L201 D206 | L201-V204 HydrophobicContact CD2-CB 4.45Å; L201-V204 PolarHBondContact O-N 2.67Å; V204-D206 PolarHBondContact O-N 3.13Å |
| 205 | K | 65.8 | Low | 79.7 | Confident | 131 Ų | 131 | 99.3 Ų | 99.3 | 57% | 0.57 | 54% | 0.541 | S | S | * | . | trans | -83.2 | 108.2 | -176.8 | -169.3 | 172.3 | -177 | 177.8 | 0 | 109.1 | L201 R207 | L201-K205 HydrophobicContact CB-CB 4.48Å; L201-K205 WeakPolarHBondContact O-CB 3.23Å; L201-K205 PolarHBondContact O-N 2.7Å; K205-R207 HydrophobicContact CG-CG 4.35Å; K205-R207 PolarHBondContact O-N 3.46Å | ||
| 206 | D | 62.6 | Low | 79.7 | Confident | 134 Ų | 134 | 98.3 Ų | 98.3 | 72% | 0.717 | 54% | 0.539 | S | S | * | . | trans | -61.6 | 82.5 | 160.8 | -80.3 | -28.7 | 0 | 0 | 0 | 109 | V204 V208 S209 | V204-D206 PolarHBondContact O-N 3.13Å; D206-V208 PolarHBondContact O-N 3.39Å; D206-S209 PolarHBondContact O-N 3.45Å; D206-S209 VanDerWaalsContact O-N 3.08Å; D206-S209 PolarHBondContact O-OG 2.71Å | ||
| 207 | R | 61.4 | Low | 79.6 | Confident | 129 Ų | 129 | 100 Ų | 100 | 49% | 0.487 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -7.8 | 177.5 | -70.8 | -175 | -173.4 | -147.7 | -1.2 | 112.9 | E198 K205 | E198-R207 PolarHBondContact O-NH2 3.13Å; E198-R207 VanDerWaalsContact O-NH2 3.13Å; E198-R207 IonicContact OE1-CZ 3.68Å; E198-R207 IonicContact OE1-NH1 2.62Å; E198-R207 PolarHBondContact OE1-NH1 3.26Å; E198-R207 IonicContact OE1-NH2 3.43Å; E198-R207 PolarHBondContact OE1-NH2 3.22Å; K205-R207 HydrophobicContact CG-CG 4.35Å; K205-R207 PolarHBondContact O-N 3.46Å |
| 208 | V | 58.9 | Low | 79.6 | Confident | 142 Ų | 142 | 102.1 Ų | 102.1 | 86% | 0.861 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | 11.6 | -177.6 | -160.3 | 0 | 0 | 0 | 0 | 112.2 | D206 G210 | D206-V208 PolarHBondContact O-N 3.39Å; V208-G210 PolarHBondContact O-N 3.06Å; V208-G210 VanDerWaalsContact O-N 3.09Å |
| 209 | S | 62.9 | Low | 79.8 | Confident | 57 Ų | 57 | 107.5 Ų | 107.5 | 40% | 0.399 | 57% | 0.57 | S | S | . | * | trans | -69.4 | 110.5 | 170.7 | -71.3 | 0 | 0 | 0 | 0 | 109.8 | D206 | D206-S209 PolarHBondContact O-N 3.45Å; D206-S209 VanDerWaalsContact O-N 3.08Å; D206-S209 PolarHBondContact O-OG 2.71Å | ||
| 210 | G | 73.2 | Confident | 79.9 | Confident | 45 Ų | 45 | 107.8 Ų | 107.8 | 46% | 0.464 | 57% | 0.573 | S | S | . | * | trans | -56.8 | 158.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V208 L212 A213 Q214 | V208-G210 PolarHBondContact O-N 3.06Å; V208-G210 VanDerWaalsContact O-N 3.09Å; G210-L212 PolarHBondContact O-N 2.87Å; G210-A213 PolarHBondContact O-N 3.17Å; G210-Q214 PolarHBondContact O-N 3.28Å | ||
| 211 | T | 83.6 | Confident | 79.9 | Confident | 126 Ų | 126 | 104.9 Ų | 104.9 | 77% | 0.773 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -52.3 | -33.8 | -178.5 | 54.2 | 0 | 0 | 0 | 0 | 113.4 | S215 | T211-S215 WeakPolarHBondContact O-CB 3.3Å; T211-S215 PolarHBondContact O-N 3.18Å; T211-S215 VanDerWaalsContact O-N 3.07Å; T211-S215 PolarHBondContact O-OG 3.48Å |
| 212 | L | 85.3 | Confident | 80.1 | Confident | 131 Ų | 131 | 103.5 Ų | 103.5 | 69% | 0.686 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.9 | -47 | 175.6 | -179.9 | 61.8 | 0 | 0 | 0 | 112.3 | G210 Q214 S215 V216 | G210-L212 PolarHBondContact O-N 2.87Å; L212-Q214 VanDerWaalsContact C-N 3.34Å; L212-Q214 PolarHBondContact O-N 3.18Å; L212-S215 PolarHBondContact O-N 3.23Å; L212-S215 VanDerWaalsContact O-N 3.16Å; L212-V216 HydrophobicContact CD1-CG2 4.24Å; L212-V216 WeakPolarHBondContact O-CG2 3.37Å; L212-V216 PolarHBondContact O-N 3.27Å |
| 213 | A | 85.6 | Confident | 80.6 | Confident | 44 Ų | 44 | 101.8 Ų | 101.8 | 36% | 0.364 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.9 | -45.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | G210 S215 V216 T217 | G210-A213 PolarHBondContact O-N 3.17Å; A213-S215 VanDerWaalsContact C-N 3.32Å; A213-S215 PolarHBondContact O-N 2.95Å; A213-V216 PolarHBondContact O-N 2.96Å; A213-T217 PolarHBondContact O-N 3.46Å; A213-T217 PolarHBondContact O-OG1 2.94Å |
| 214 | Q | 85.9 | Confident | 81.2 | Confident | 91 Ų | 91 | 98.4 Ų | 98.4 | 43% | 0.425 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 175.2 | -170.8 | 63.2 | 46.4 | 0 | 0 | 112.2 | G210 L212 V216 T217 N218 | G210-Q214 PolarHBondContact O-N 3.28Å; L212-Q214 VanDerWaalsContact C-N 3.34Å; L212-Q214 PolarHBondContact O-N 3.18Å; Q214-V216 PolarHBondContact O-N 3.27Å; Q214-T217 PolarHBondContact O-N 3.33Å; Q214-N218 PolarHBondContact NE2-OD1 3.32Å; Q214-N218 WeakPolarHBondContact O-CB 3.32Å; Q214-N218 PolarHBondContact O-N 2.85Å; Q214-N218 PolarHBondContact O-ND2 2.92Å; Q214-N218 PolarHBondContact O-OD1 2.93Å |
| 215 | S | 87.8 | Confident | 81.9 | Confident | 56 Ų | 56 | 93.7 Ų | 93.7 | 39% | 0.392 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 179.5 | -60.7 | 0 | 0 | 0 | 0 | 112.2 | T211 L212 A213 R219 | T211-S215 WeakPolarHBondContact O-CB 3.3Å; T211-S215 PolarHBondContact O-N 3.18Å; T211-S215 VanDerWaalsContact O-N 3.07Å; T211-S215 PolarHBondContact O-OG 3.48Å; L212-S215 PolarHBondContact O-N 3.23Å; L212-S215 VanDerWaalsContact O-N 3.16Å; A213-S215 VanDerWaalsContact C-N 3.32Å; A213-S215 PolarHBondContact O-N 2.95Å; S215-R219 WeakPolarHBondContact O-CG 3.49Å; S215-R219 PolarHBondContact O-N 3.44Å; S215-R219 VanDerWaalsContact O-N 3.13Å |
| 216 | V | 90.6 | Very high | 83.1 | Confident | 85 Ų | 85 | 92.4 Ų | 92.4 | 52% | 0.515 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.3 | -46.1 | 176 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | L212 A213 Q214 N218 R219 M220 | L212-V216 HydrophobicContact CD1-CG2 4.24Å; L212-V216 WeakPolarHBondContact O-CG2 3.37Å; L212-V216 PolarHBondContact O-N 3.27Å; A213-V216 PolarHBondContact O-N 2.96Å; Q214-V216 PolarHBondContact O-N 3.27Å; V216-N218 PolarHBondContact O-N 2.79Å; V216-R219 PolarHBondContact O-N 3.02Å; V216-M220 PolarHBondContact O-N 2.84Å |
| 217 | T | 88.1 | Confident | 84.6 | Confident | 71 Ų | 71 | 89.5 Ų | 89.5 | 44% | 0.436 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.1 | -44.7 | 176.5 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | A213 Q214 R219 M220 V221 | A213-T217 PolarHBondContact O-N 3.46Å; A213-T217 PolarHBondContact O-OG1 2.94Å; Q214-T217 PolarHBondContact O-N 3.33Å; T217-R219 VanDerWaalsContact C-N 3.32Å; T217-R219 PolarHBondContact O-N 3.32Å; T217-M220 PolarHBondContact O-N 3.25Å; T217-M220 VanDerWaalsContact O-N 3.15Å; T217-V221 HydrophobicContact CG2-CG2 4.2Å; T217-V221 WeakPolarHBondContact O-CG2 3.43Å; T217-V221 PolarHBondContact O-N 2.8Å |
| 218 | N | 88.5 | Confident | 86 | Confident | 92 Ų | 92 | 86.7 Ų | 86.7 | 49% | 0.492 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.5 | -41.9 | 177.4 | -71.4 | -6.8 | 0 | 0 | 0 | 112 | Q214 V216 G222 | Q214-N218 PolarHBondContact NE2-OD1 3.32Å; Q214-N218 WeakPolarHBondContact O-CB 3.32Å; Q214-N218 PolarHBondContact O-N 2.85Å; Q214-N218 PolarHBondContact O-ND2 2.92Å; Q214-N218 PolarHBondContact O-OD1 2.93Å; V216-N218 PolarHBondContact O-N 2.79Å; N218-G222 PolarHBondContact O-N 3.36Å |
| 219 | R | 90.9 | Very high | 87.4 | Confident | 195 Ų | 195 | 84.8 Ų | 84.8 | 74% | 0.736 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.5 | -43.3 | 174.8 | -71.1 | 176.1 | -176.6 | -163.8 | -0.1 | 111.8 | S215 V216 T217 G222 L223 | S215-R219 WeakPolarHBondContact O-CG 3.49Å; S215-R219 PolarHBondContact O-N 3.44Å; S215-R219 VanDerWaalsContact O-N 3.13Å; V216-R219 PolarHBondContact O-N 3.02Å; T217-R219 VanDerWaalsContact C-N 3.32Å; T217-R219 PolarHBondContact O-N 3.32Å; R219-G222 PolarHBondContact O-N 3.06Å; R219-L223 WeakPolarHBondContact O-CG 3.45Å; R219-L223 PolarHBondContact O-N 2.89Å |
| 220 | M | 91.6 | Very high | 88.9 | Confident | 114 Ų | 114 | 86.4 Ų | 86.4 | 56% | 0.562 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.9 | -45.2 | 178.9 | -176.6 | 176.1 | 180 | 0 | 0 | 112.1 | V216 T217 L223 K224 | V216-M220 PolarHBondContact O-N 2.84Å; T217-M220 PolarHBondContact O-N 3.25Å; T217-M220 VanDerWaalsContact O-N 3.15Å; M220-L223 PolarHBondContact O-N 2.92Å; M220-K224 WeakPolarHBondContact O-CG 3.24Å; M220-K224 PolarHBondContact O-N 3.27Å |
| 221 | V | 89.8 | Confident | 89.9 | Confident | 65 Ų | 65 | 89.7 Ų | 89.7 | 39% | 0.394 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 176.3 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | V156 T217 L223 K224 G225 | V156-V221 HydrophobicContact CG1-CG1 4.06Å; T217-V221 HydrophobicContact CG2-CG2 4.2Å; T217-V221 WeakPolarHBondContact O-CG2 3.43Å; T217-V221 PolarHBondContact O-N 2.8Å; V221-L223 PolarHBondContact O-N 3.16Å; V221-K224 PolarHBondContact O-N 3.26Å; V221-G225 PolarHBondContact O-N 3.4Å |
| 222 | G | 91.2 | Very high | 90.2 | Very high | 46 Ų | 46 | 88.9 Ų | 88.9 | 47% | 0.474 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.9 | -45.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N218 R219 G225 M226 | N218-G222 PolarHBondContact O-N 3.36Å; R219-G222 PolarHBondContact O-N 3.06Å; G222-G225 PolarHBondContact O-N 3.27Å; G222-M226 PolarHBondContact O-N 3.18Å |
| 223 | L | 93.8 | Very high | 90.5 | Very high | 108 Ų | 108 | 86 Ų | 86 | 57% | 0.565 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.8 | -44.1 | 176 | -73.9 | 173.2 | 0 | 0 | 0 | 112.4 | R219 M220 V221 G225 M226 V227 | R219-L223 WeakPolarHBondContact O-CG 3.45Å; R219-L223 PolarHBondContact O-N 2.89Å; M220-L223 PolarHBondContact O-N 2.92Å; V221-L223 PolarHBondContact O-N 3.16Å; L223-G225 VanDerWaalsContact C-N 3.29Å; L223-G225 PolarHBondContact O-N 3.33Å; L223-M226 PolarHBondContact O-N 2.91Å; L223-V227 WeakPolarHBondContact O-CG2 3.35Å; L223-V227 PolarHBondContact O-N 2.78Å |
| 224 | K | 92.3 | Very high | 90.9 | Very high | 90 Ų | 90 | 87.1 Ų | 87.1 | 39% | 0.391 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.5 | -41.9 | 174.9 | -74.8 | -174.1 | 169.2 | -165.4 | 0 | 111.8 | E155 V156 M220 V221 M226 V227 L228 | E155-K224 IonicContact OE2-NZ 3.73Å; V156-K224 HydrophobicContact CG2-CB 3.81Å; V156-K224 HydrophobicContact CG2-CD 4.15Å; M220-K224 WeakPolarHBondContact O-CG 3.24Å; M220-K224 PolarHBondContact O-N 3.27Å; V221-K224 PolarHBondContact O-N 3.26Å; K224-M226 VanDerWaalsContact C-N 3.34Å; K224-V227 PolarHBondContact O-N 3.44Å; K224-L228 PolarHBondContact O-N 3.38Å; K224-L228 VanDerWaalsContact O-N 3.13Å |
| 225 | G | 89.9 | Confident | 91.3 | Very high | 16 Ų | 16 | 85.2 Ų | 85.2 | 17% | 0.165 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V221 G222 L223 V227 L228 L229 | V221-G225 PolarHBondContact O-N 3.4Å; G222-G225 PolarHBondContact O-N 3.27Å; L223-G225 VanDerWaalsContact C-N 3.29Å; L223-G225 PolarHBondContact O-N 3.33Å; G225-V227 VanDerWaalsContact C-N 3.35Å; G225-V227 PolarHBondContact O-N 3.02Å; G225-L228 PolarHBondContact O-N 2.92Å; G225-L229 WeakPolarHBondContact O-CG 3.41Å; G225-L229 PolarHBondContact O-N 3.14Å |
| 226 | M | 91.6 | Very high | 91.5 | Very high | 104 Ų | 104 | 84.8 Ų | 84.8 | 51% | 0.512 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 175.7 | -167.5 | -176.5 | 85.5 | 0 | 0 | 112.1 | G222 L223 K224 L229 L230 | G222-M226 PolarHBondContact O-N 3.18Å; L223-M226 PolarHBondContact O-N 2.91Å; K224-M226 VanDerWaalsContact C-N 3.34Å; M226-L229 PolarHBondContact O-N 3Å; M226-L230 HydrophobicContact CE-CD1 4.25Å; M226-L230 HydrophobicContact CG-CD1 4.35Å; M226-L230 WeakPolarHBondContact O-CG 3.5Å; M226-L230 PolarHBondContact O-N 2.81Å |
| 227 | V | 93.2 | Very high | 91.6 | Very high | 73 Ų | 73 | 84.2 Ų | 84.2 | 44% | 0.442 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61 | -46.9 | 176.5 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | L223 K224 G225 L229 L230 E231 | L223-V227 WeakPolarHBondContact O-CG2 3.35Å; L223-V227 PolarHBondContact O-N 2.78Å; K224-V227 PolarHBondContact O-N 3.44Å; G225-V227 VanDerWaalsContact C-N 3.35Å; G225-V227 PolarHBondContact O-N 3.02Å; V227-L229 VanDerWaalsContact C-N 3.35Å; V227-L229 PolarHBondContact O-N 3.33Å; V227-L230 PolarHBondContact O-N 3.41Å; V227-E231 HydrophobicContact CG1-CG 4.47Å; V227-E231 WeakPolarHBondContact O-CG 3.34Å; V227-E231 PolarHBondContact O-N 3.33Å |
| 228 | L | 90.7 | Very high | 91.9 | Very high | 69 Ų | 69 | 87.9 Ų | 87.9 | 36% | 0.361 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 178.3 | -68.9 | 172.9 | 0 | 0 | 0 | 112.2 | V156 K224 G225 L230 E231 E232 | V156-L228 HydrophobicContact CB-CD1 4.01Å; V156-L228 HydrophobicContact CG2-CD1 4.46Å; K224-L228 PolarHBondContact O-N 3.38Å; K224-L228 VanDerWaalsContact O-N 3.13Å; G225-L228 PolarHBondContact O-N 2.92Å; L228-L230 PolarHBondContact O-N 2.93Å; L228-E231 PolarHBondContact O-N 3.3Å; L228-E232 WeakPolarHBondContact O-CG 3.25Å; L228-E232 PolarHBondContact O-N 3.2Å |
| 229 | L | 90 | Very high | 92.1 | Very high | 103 Ų | 103 | 86 Ų | 86 | 54% | 0.539 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 176.3 | -70.5 | 171.1 | 0 | 0 | 0 | 112 | G225 M226 V227 E232 I233 | G225-L229 WeakPolarHBondContact O-CG 3.41Å; G225-L229 PolarHBondContact O-N 3.14Å; M226-L229 PolarHBondContact O-N 3Å; V227-L229 VanDerWaalsContact C-N 3.35Å; V227-L229 PolarHBondContact O-N 3.33Å; L229-E232 PolarHBondContact O-N 2.8Å; L229-I233 VanDerWaalsContact O-CG1 3.28Å; L229-I233 WeakPolarHBondContact O-CG1 3.34Å; L229-I233 PolarHBondContact O-N 3.5Å |
| 230 | L | 93.1 | Very high | 92.2 | Very high | 90 Ų | 90 | 78 Ų | 78 | 47% | 0.471 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 175 | -71.5 | 173 | 0 | 0 | 0 | 111.4 | M226 V227 L228 I233 T234 | M226-L230 HydrophobicContact CE-CD1 4.25Å; M226-L230 HydrophobicContact CG-CD1 4.35Å; M226-L230 WeakPolarHBondContact O-CG 3.5Å; M226-L230 PolarHBondContact O-N 2.81Å; V227-L230 PolarHBondContact O-N 3.41Å; L228-L230 PolarHBondContact O-N 2.93Å; L230-I233 PolarHBondContact O-N 3.37Å; L230-T234 VanDerWaalsContact O-CG2 3.24Å; L230-T234 WeakPolarHBondContact O-CG2 3.39Å; L230-T234 PolarHBondContact O-N 3.22Å; L230-T234 PolarHBondContact O-OG1 3.02Å |
| 231 | E | 94.3 | Very high | 92.3 | Very high | 114 Ų | 114 | 76.7 Ų | 76.7 | 53% | 0.533 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.7 | -45 | 174.1 | -74.4 | 178.9 | 173.1 | 0 | 0 | 111.4 | V227 L228 T234 A235 | V227-E231 HydrophobicContact CG1-CG 4.47Å; V227-E231 WeakPolarHBondContact O-CG 3.34Å; V227-E231 PolarHBondContact O-N 3.33Å; L228-E231 PolarHBondContact O-N 3.3Å; E231-T234 PolarHBondContact O-N 3.42Å; E231-T234 PolarHBondContact O-OG1 3.32Å; E231-A235 WeakPolarHBondContact O-CB 3.1Å; E231-A235 PolarHBondContact O-N 2.89Å |
| 232 | E | 90.3 | Very high | 92.4 | Very high | 110 Ų | 110 | 77 Ų | 77 | 51% | 0.514 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 175.2 | -73.9 | 178.7 | -178.4 | 0 | 0 | 112.2 | L228 L229 T234 A235 Y236 | L228-E232 WeakPolarHBondContact O-CG 3.25Å; L228-E232 PolarHBondContact O-N 3.2Å; L229-E232 PolarHBondContact O-N 2.8Å; E232-T234 PolarHBondContact O-N 2.99Å; E232-A235 PolarHBondContact O-N 3.17Å; E232-Y236 PolarHBondContact O-N 3.42Å |
| 233 | I | 92.4 | Very high | 92.3 | Very high | 69 Ų | 69 | 77.8 Ų | 77.8 | 35% | 0.354 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 175.9 | -67.6 | 165.4 | 0 | 0 | 0 | 110.4 | L229 L230 A235 Y236 L237 V255 | L229-I233 VanDerWaalsContact O-CG1 3.28Å; L229-I233 WeakPolarHBondContact O-CG1 3.34Å; L229-I233 PolarHBondContact O-N 3.5Å; L230-I233 PolarHBondContact O-N 3.37Å; I233-A235 VanDerWaalsContact C-N 3.31Å; I233-A235 PolarHBondContact O-N 3.13Å; I233-Y236 PolarHBondContact O-N 2.87Å; I233-L237 HydrophobicContact CG2-CD1 4.06Å; I233-L237 HydrophobicContact CG2-CG 4.44Å; I233-L237 WeakPolarHBondContact O-CG 3.49Å; I233-L237 PolarHBondContact O-N 3.43Å; I233-V255 HydrophobicContact CG2-CG2 4.17Å |
| 234 | T | 93.9 | Very high | 92.1 | Very high | 69 Ų | 69 | 80 Ų | 80 | 42% | 0.423 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.1 | -34.7 | 178.5 | 64.7 | 0 | 0 | 0 | 0 | 112.4 | L230 E231 E232 K238 | L230-T234 VanDerWaalsContact O-CG2 3.24Å; L230-T234 WeakPolarHBondContact O-CG2 3.39Å; L230-T234 PolarHBondContact O-N 3.22Å; L230-T234 PolarHBondContact O-OG1 3.02Å; E231-T234 PolarHBondContact O-N 3.42Å; E231-T234 PolarHBondContact O-OG1 3.32Å; E232-T234 PolarHBondContact O-N 2.99Å; T234-K238 WeakPolarHBondContact O-CB 3.4Å; T234-K238 VanDerWaalsContact O-CG 3.24Å; T234-K238 WeakPolarHBondContact O-CG 3.39Å; T234-K238 PolarHBondContact O-N 3.45Å |
| 235 | A | 93.6 | Very high | 91.7 | Very high | 51 Ų | 51 | 80 Ų | 80 | 42% | 0.421 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.3 | -45.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | E231 E232 I233 K238 T239 | E231-A235 WeakPolarHBondContact O-CB 3.1Å; E231-A235 PolarHBondContact O-N 2.89Å; E232-A235 PolarHBondContact O-N 3.17Å; I233-A235 VanDerWaalsContact C-N 3.31Å; I233-A235 PolarHBondContact O-N 3.13Å; A235-K238 PolarHBondContact O-N 2.98Å; A235-T239 WeakPolarHBondContact O-CG2 3.42Å; A235-T239 PolarHBondContact O-N 3.26Å; A235-T239 PolarHBondContact O-OG1 3.04Å |
| 236 | Y | 91.8 | Very high | 91.4 | Very high | 47 Ų | 47 | 84.4 Ų | 84.4 | 18% | 0.184 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -59.6 | -48.5 | 174.4 | 173.6 | -103.6 | 0 | 0 | 0 | 112.4 | E232 I233 K238 T239 V240 L245 N248 V251 | E232-Y236 PolarHBondContact O-N 3.42Å; I233-Y236 PolarHBondContact O-N 2.87Å; Y236-K238 VanDerWaalsContact C-N 3.27Å; Y236-K238 PolarHBondContact O-N 3.24Å; Y236-T239 PolarHBondContact O-N 3.32Å; Y236-T239 PolarHBondContact O-OG1 2.97Å; Y236-V240 HydrophobicContact CD1-CG2 4.41Å; Y236-V240 HydrophobicContact CD2-CG2 4.17Å; Y236-V240 HydrophobicContact CE1-CG2 3.97Å; Y236-V240 HydrophobicContact CE2-CG2 3.7Å; Y236-V240 VanDerWaalsContact O-CG2 3.32Å; Y236-V240 WeakPolarHBondContact O-CG2 3.29Å; Y236-V240 PolarHBondContact O-N 3.11Å; Y236-L245 HydrophobicContact CD2-CD2 4.33Å; Y236-L245 HydrophobicContact CE2-CD2 3.88Å; Y236-N248 WeakPolarHBondContact OH-CB 3.29Å; Y236-N248 PolarHBondContact OH-N 2.82Å; Y236-N248 VanDerWaalsContact OH-N 3.13Å; Y236-V251 HydrophobicContact CD1-CG1 4.14Å; Y236-V251 HydrophobicContact CE1-CB 4.25Å; Y236-V251 HydrophobicContact CE1-CG1 3.68Å |
| 237 | L | 92.6 | Very high | 91.1 | Very high | 73 Ų | 73 | 83.4 Ų | 83.4 | 38% | 0.382 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.2 | -33.8 | 179.7 | -68.7 | 176.5 | 0 | 0 | 0 | 112.2 | I233 A241 V255 | I233-L237 HydrophobicContact CG2-CD1 4.06Å; I233-L237 HydrophobicContact CG2-CG 4.44Å; I233-L237 WeakPolarHBondContact O-CG 3.49Å; I233-L237 PolarHBondContact O-N 3.43Å; L237-A241 VanDerWaalsContact O-CB 3.25Å; L237-A241 WeakPolarHBondContact O-CB 3.13Å; L237-A241 PolarHBondContact O-N 3.31Å; L237-V255 HydrophobicContact CD1-CG1 4.45Å |
| 238 | K | 94.7 | Very high | 90.8 | Very high | 148 Ų | 148 | 83.2 Ų | 83.2 | 64% | 0.643 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67.3 | -42.1 | 174.5 | -77.8 | 171.6 | -179 | 172.9 | 0 | 112.6 | T234 A235 Y236 A241 S242 | T234-K238 WeakPolarHBondContact O-CB 3.4Å; T234-K238 VanDerWaalsContact O-CG 3.24Å; T234-K238 WeakPolarHBondContact O-CG 3.39Å; T234-K238 PolarHBondContact O-N 3.45Å; A235-K238 PolarHBondContact O-N 2.98Å; Y236-K238 VanDerWaalsContact C-N 3.27Å; Y236-K238 PolarHBondContact O-N 3.24Å; K238-A241 PolarHBondContact O-N 3.1Å; K238-S242 PolarHBondContact O-N 2.87Å |
| 239 | T | 93.4 | Very high | 90.6 | Very high | 51 Ų | 51 | 83.9 Ų | 83.9 | 31% | 0.313 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.9 | -32 | 178.7 | 53.8 | 0 | 0 | 0 | 0 | 112.5 | A235 Y236 S242 G243 E244 | A235-T239 WeakPolarHBondContact O-CG2 3.42Å; A235-T239 PolarHBondContact O-N 3.26Å; A235-T239 PolarHBondContact O-OG1 3.04Å; Y236-T239 PolarHBondContact O-N 3.32Å; Y236-T239 PolarHBondContact O-OG1 2.97Å; T239-S242 PolarHBondContact O-OG 2.98Å; T239-G243 PolarHBondContact O-N 3Å; T239-E244 PolarHBondContact O-N 3.29Å |
| 240 | V | 92.8 | Very high | 90.4 | Very high | 27 Ų | 27 | 82.2 Ų | 82.2 | 16% | 0.164 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -69.5 | -40.8 | 170.8 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | Y236 S242 G243 V247 | Y236-V240 HydrophobicContact CD1-CG2 4.41Å; Y236-V240 HydrophobicContact CD2-CG2 4.17Å; Y236-V240 HydrophobicContact CE1-CG2 3.97Å; Y236-V240 HydrophobicContact CE2-CG2 3.7Å; Y236-V240 VanDerWaalsContact O-CG2 3.32Å; Y236-V240 WeakPolarHBondContact O-CG2 3.29Å; Y236-V240 PolarHBondContact O-N 3.11Å; V240-S242 VanDerWaalsContact C-N 3.34Å; V240-S242 PolarHBondContact O-N 3.22Å; V240-G243 PolarHBondContact O-N 2.83Å; V240-G243 VanDerWaalsContact O-N 3.11Å; V240-V247 HydrophobicContact CG1-CB 4.3Å; V240-V247 HydrophobicContact CG1-CG2 3.54Å |
| 241 | A | 92.1 | Very high | 90.1 | Very high | 88 Ų | 88 | 80.6 Ų | 80.6 | 73% | 0.727 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -67.2 | -30.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L237 K238 G243 | L237-A241 VanDerWaalsContact O-CB 3.25Å; L237-A241 WeakPolarHBondContact O-CB 3.13Å; L237-A241 PolarHBondContact O-N 3.31Å; K238-A241 PolarHBondContact O-N 3.1Å; A241-G243 VanDerWaalsContact C-N 3.25Å |
| 242 | S | 93.9 | Very high | 89.9 | Confident | 71 Ų | 71 | 77.1 Ų | 77.1 | 50% | 0.497 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -11.7 | 172.7 | 65.7 | 0 | 0 | 0 | 0 | 113.6 | K238 T239 V240 | K238-S242 PolarHBondContact O-N 2.87Å; T239-S242 PolarHBondContact O-OG 2.98Å; V240-S242 VanDerWaalsContact C-N 3.34Å; V240-S242 PolarHBondContact O-N 3.22Å |
| 243 | G | 88.8 | Confident | 89.9 | Confident | 62 Ų | 62 | 77.8 Ų | 77.8 | 64% | 0.639 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 12.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | T239 V240 A241 | T239-G243 PolarHBondContact O-N 3Å; V240-G243 PolarHBondContact O-N 2.83Å; V240-G243 VanDerWaalsContact O-N 3.11Å; A241-G243 VanDerWaalsContact C-N 3.25Å |
| 244 | E | 89.3 | Confident | 89.9 | Confident | 155 Ų | 155 | 80 Ų | 80 | 72% | 0.724 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -74.6 | -31.1 | 178.2 | -72.1 | 175.2 | -160.2 | 0 | 0 | 112.6 | T239 | T239-E244 PolarHBondContact O-N 3.29Š|
| 245 | L | 83.5 | Confident | 89.8 | Confident | 90 Ų | 90 | 78.4 Ų | 78.4 | 47% | 0.471 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -121 | 139 | -177.1 | -145.4 | 83.4 | 0 | 0 | 0 | 110.9 | Y236 | Y236-L245 HydrophobicContact CD2-CD2 4.33Å; Y236-L245 HydrophobicContact CE2-CD2 3.88Å |
| 246 | P | 84.3 | Confident | 89.8 | Confident | 109 Ų | 109 | 81.3 Ų | 81.3 | 71% | 0.708 | 46% | 0.461 | S | S | * | . | trans | -60.8 | 142.1 | 169.7 | 24.5 | -35.2 | 0 | 0 | 0 | 111.7 | N248 | P246-N248 PolarHBondContact O-N 3.23Š| ||
| 247 | V | 85.1 | Confident | 89.9 | Confident | 83 Ų | 83 | 85.2 Ų | 85.2 | 50% | 0.503 | 48% | 0.48 | S | S | . | . | trans | -65.3 | 127.3 | 176.3 | -176.1 | 0 | 0 | 0 | 0 | 109 | V240 | V240-V247 HydrophobicContact CG1-CB 4.3Å; V240-V247 HydrophobicContact CG1-CG2 3.54Å | ||
| 248 | N | 85.3 | Confident | 89.9 | Confident | 69 Ų | 69 | 86.3 Ų | 86.3 | 37% | 0.369 | 49% | 0.49 | S | S | . | . | trans | -94.9 | 105.7 | 166.3 | -175.2 | -30.7 | 0 | 0 | 0 | 108.2 | Y236 P246 S250 V251 C252 | Y236-N248 WeakPolarHBondContact OH-CB 3.29Å; Y236-N248 PolarHBondContact OH-N 2.82Å; Y236-N248 VanDerWaalsContact OH-N 3.13Å; P246-N248 PolarHBondContact O-N 3.23Å; N248-S250 VanDerWaalsContact C-N 3.25Å; N248-S250 PolarHBondContact O-N 3.41Å; N248-S250 VanDerWaalsContact OD1-CB 3.31Å; N248-S250 WeakPolarHBondContact OD1-CB 3.44Å; N248-S250 PolarHBondContact OD1-N 2.91Å; N248-V251 HydrophobicContact CB-CB 4.31Å; N248-V251 HydrophobicContact CB-CG2 4.02Å; N248-V251 PolarHBondContact O-N 3.03Å; N248-V251 VanDerWaalsContact O-N 3.13Å; N248-V251 PolarHBondContact OD1-N 3.15Å; N248-C252 PolarHBondContact O-N 3.04Å | ||
| 249 | N | 86.6 | Confident | 89.7 | Confident | 82 Ų | 82 | 84.9 Ų | 84.9 | 44% | 0.439 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.3 | -39.6 | -176.7 | -67.2 | -21.4 | 0 | 0 | 0 | 111.9 | V251 C252 F253 | N249-V251 VanDerWaalsContact C-N 3.34Å; N249-V251 PolarHBondContact O-N 3.34Å; N249-C252 PolarHBondContact O-N 3.25Å; N249-F253 HydrophobicContact CB-CD2 4.35Å; N249-F253 HydrophobicContact CB-CE2 3.93Å; N249-F253 WeakPolarHBondContact O-CD2 3.35Å; N249-F253 WeakPolarHBondContact O-CG 3.43Å; N249-F253 PolarHBondContact O-N 3.11Å |
| 250 | S | 86.2 | Confident | 89.6 | Confident | 68 Ų | 68 | 88.3 Ų | 88.3 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.2 | -47.4 | 177.7 | -53.7 | 0 | 0 | 0 | 0 | 111.1 | N248 C252 F253 H254 | N248-S250 VanDerWaalsContact C-N 3.25Å; N248-S250 PolarHBondContact O-N 3.41Å; N248-S250 VanDerWaalsContact OD1-CB 3.31Å; N248-S250 WeakPolarHBondContact OD1-CB 3.44Å; N248-S250 PolarHBondContact OD1-N 2.91Å; S250-C252 VanDerWaalsContact C-N 3.35Å; S250-C252 PolarHBondContact O-N 3.32Å; S250-F253 PolarHBondContact O-N 3.1Å; S250-H254 PolarHBondContact O-N 3.49Å; S250-H254 VanDerWaalsContact O-N 3.13Å; S250-H254 PolarHBondContact O-ND1 3.36Å |
| 251 | V | 87 | Confident | 89.6 | Confident | 56 Ų | 56 | 90.7 Ų | 90.7 | 34% | 0.339 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 178.9 | 178.7 | 0 | 0 | 0 | 0 | 111 | Y236 N248 N249 F253 H254 V255 | Y236-V251 HydrophobicContact CD1-CG1 4.14Å; Y236-V251 HydrophobicContact CE1-CB 4.25Å; Y236-V251 HydrophobicContact CE1-CG1 3.68Å; N248-V251 HydrophobicContact CB-CB 4.31Å; N248-V251 HydrophobicContact CB-CG2 4.02Å; N248-V251 PolarHBondContact O-N 3.03Å; N248-V251 VanDerWaalsContact O-N 3.13Å; N248-V251 PolarHBondContact OD1-N 3.15Å; N249-V251 VanDerWaalsContact C-N 3.34Å; N249-V251 PolarHBondContact O-N 3.34Å; V251-F253 VanDerWaalsContact C-N 3.34Å; V251-F253 PolarHBondContact O-N 3.12Å; V251-H254 PolarHBondContact O-N 2.95Å; V251-V255 HydrophobicContact CG1-CG2 4.38Å; V251-V255 WeakPolarHBondContact O-CG2 3.22Å; V251-V255 PolarHBondContact O-N 3.49Å |
| 252 | C | 89.7 | Confident | 89.4 | Confident | 41 Ų | 41 | 91.6 Ų | 91.6 | 28% | 0.277 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.3 | -40.9 | 177.3 | -69.4 | 0 | 0 | 0 | 0 | 112.5 | N248 N249 S250 V255 Q256 | N248-C252 PolarHBondContact O-N 3.04Å; N249-C252 PolarHBondContact O-N 3.25Å; S250-C252 VanDerWaalsContact C-N 3.35Å; S250-C252 PolarHBondContact O-N 3.32Å; C252-V255 PolarHBondContact O-N 2.81Å; C252-Q256 WeakPolarHBondContact O-CB 3.32Å; C252-Q256 PolarHBondContact O-N 2.74Å |
| 253 | F | 91.9 | Very high | 88.9 | Confident | 124 Ų | 124 | 92.4 Ų | 92.4 | 54% | 0.544 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 175.9 | -70.8 | -55.6 | 0 | 0 | 0 | 112.1 | N249 S250 V251 V255 Q256 E257 | N249-F253 HydrophobicContact CB-CD2 4.35Å; N249-F253 HydrophobicContact CB-CE2 3.93Å; N249-F253 WeakPolarHBondContact O-CD2 3.35Å; N249-F253 WeakPolarHBondContact O-CG 3.43Å; N249-F253 PolarHBondContact O-N 3.11Å; S250-F253 PolarHBondContact O-N 3.1Å; V251-F253 VanDerWaalsContact C-N 3.34Å; V251-F253 PolarHBondContact O-N 3.12Å; F253-V255 PolarHBondContact O-N 3.39Å; F253-Q256 WeakPolarHBondContact O-CB 3.32Å; F253-Q256 PolarHBondContact O-N 3.01Å; F253-E257 WeakPolarHBondContact O-CB 3.44Å; F253-E257 PolarHBondContact O-N 3.16Å |
| 254 | H | 91.3 | Very high | 88.6 | Confident | 117 Ų | 117 | 94.5 Ų | 94.5 | 54% | 0.542 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 177.2 | -69.7 | 87.9 | 0 | 0 | 0 | 111.8 | S250 V251 Q256 E257 V258 | S250-H254 PolarHBondContact O-N 3.49Å; S250-H254 VanDerWaalsContact O-N 3.13Å; S250-H254 PolarHBondContact O-ND1 3.36Å; V251-H254 PolarHBondContact O-N 2.95Å; H254-Q256 VanDerWaalsContact C-N 3.32Å; H254-Q256 PolarHBondContact O-N 2.84Å; H254-E257 PolarHBondContact O-N 3.13Å; H254-V258 VanDerWaalsContact O-CG2 3.32Å; H254-V258 WeakPolarHBondContact O-CG2 3.26Å; H254-V258 PolarHBondContact O-N 2.94Å |
| 255 | V | 92.2 | Very high | 88 | Confident | 34 Ų | 34 | 92.1 Ų | 92.1 | 21% | 0.206 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 175.7 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | I233 L237 V251 C252 F253 V258 M259 | I233-V255 HydrophobicContact CG2-CG2 4.17Å; L237-V255 HydrophobicContact CD1-CG1 4.45Å; V251-V255 HydrophobicContact CG1-CG2 4.38Å; V251-V255 WeakPolarHBondContact O-CG2 3.22Å; V251-V255 PolarHBondContact O-N 3.49Å; C252-V255 PolarHBondContact O-N 2.81Å; F253-V255 PolarHBondContact O-N 3.39Å; V255-V258 PolarHBondContact O-N 3.43Å; V255-M259 WeakPolarHBondContact O-CG 3.47Å; V255-M259 PolarHBondContact O-N 2.9Å |
| 256 | Q | 92.5 | Very high | 87.8 | Confident | 113 Ų | 113 | 94.9 Ų | 94.9 | 53% | 0.528 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 175.8 | -178.6 | 177.8 | -16 | 0 | 0 | 111.8 | C252 F253 H254 M259 N260 | C252-Q256 WeakPolarHBondContact O-CB 3.32Å; C252-Q256 PolarHBondContact O-N 2.74Å; F253-Q256 WeakPolarHBondContact O-CB 3.32Å; F253-Q256 PolarHBondContact O-N 3.01Å; H254-Q256 VanDerWaalsContact C-N 3.32Å; H254-Q256 PolarHBondContact O-N 2.84Å; Q256-M259 PolarHBondContact O-N 2.85Å; Q256-N260 WeakPolarHBondContact O-CB 3.48Å; Q256-N260 VanDerWaalsContact O-CG 3.27Å; Q256-N260 PolarHBondContact O-N 3.1Å; Q256-N260 PolarHBondContact O-ND2 2.89Å |
| 257 | E | 94.6 | Very high | 87.7 | Confident | 128 Ų | 128 | 90.7 Ų | 90.7 | 60% | 0.598 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.7 | -44.9 | 175.1 | -172.6 | 176.4 | -172.3 | 0 | 0 | 111.5 | F253 H254 M259 N260 A261 | F253-E257 WeakPolarHBondContact O-CB 3.44Å; F253-E257 PolarHBondContact O-N 3.16Å; H254-E257 PolarHBondContact O-N 3.13Å; E257-M259 VanDerWaalsContact C-N 3.31Å; E257-M259 PolarHBondContact O-N 3.23Å; E257-N260 PolarHBondContact O-N 3.06Å; E257-A261 VanDerWaalsContact O-CB 3.3Å; E257-A261 WeakPolarHBondContact O-CB 3.26Å; E257-A261 PolarHBondContact O-N 2.9Å |
| 258 | V | 91.8 | Very high | 87.6 | Confident | 96 Ų | 96 | 91.4 Ų | 91.4 | 58% | 0.582 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.6 | -43.1 | 175.2 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | H254 V255 A261 L262 | H254-V258 VanDerWaalsContact O-CG2 3.32Å; H254-V258 WeakPolarHBondContact O-CG2 3.26Å; H254-V258 PolarHBondContact O-N 2.94Å; V255-V258 PolarHBondContact O-N 3.43Å; V258-A261 PolarHBondContact O-N 3.22Å; V258-L262 PolarHBondContact O-N 3.46Å |
| 259 | M | 90.5 | Very high | 87.5 | Confident | 119 Ų | 119 | 95.9 Ų | 95.9 | 59% | 0.586 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.8 | -37.7 | 177.9 | -70.5 | -59.9 | -60.3 | 0 | 0 | 112.5 | V255 Q256 E257 A261 L262 | V255-M259 WeakPolarHBondContact O-CG 3.47Å; V255-M259 PolarHBondContact O-N 2.9Å; Q256-M259 PolarHBondContact O-N 2.85Å; E257-M259 VanDerWaalsContact C-N 3.31Å; E257-M259 PolarHBondContact O-N 3.23Å; M259-A261 VanDerWaalsContact C-N 3.33Å; M259-L262 HydrophobicContact CE-CD1 3.84Å; M259-L262 WeakPolarHBondContact O-CB 2.99Å; M259-L262 PolarHBondContact O-N 3.21Å; M259-L262 HydrophobicContact SD-CD1 3.93Å |
| 260 | N | 92 | Very high | 87.4 | Confident | 122 Ų | 122 | 96.7 Ų | 96.7 | 65% | 0.652 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -72.3 | -27.5 | 176.5 | -71 | -19 | 0 | 0 | 0 | 112.7 | Q256 E257 L262 | Q256-N260 WeakPolarHBondContact O-CB 3.48Å; Q256-N260 VanDerWaalsContact O-CG 3.27Å; Q256-N260 PolarHBondContact O-N 3.1Å; Q256-N260 PolarHBondContact O-ND2 2.89Å; E257-N260 PolarHBondContact O-N 3.06Å; N260-L262 VanDerWaalsContact C-N 3.27Å; N260-L262 PolarHBondContact O-N 3.05Å |
| 261 | A | 92.2 | Very high | 87.5 | Confident | 78 Ų | 78 | 98.3 Ų | 98.3 | 65% | 0.645 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -3.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E257 V258 M259 | E257-A261 VanDerWaalsContact O-CB 3.3Å; E257-A261 WeakPolarHBondContact O-CB 3.26Å; E257-A261 PolarHBondContact O-N 2.9Å; V258-A261 PolarHBondContact O-N 3.22Å; M259-A261 VanDerWaalsContact C-N 3.33Å |
| 262 | L | 88 | Confident | 87.6 | Confident | 107 Ų | 107 | 102.2 Ų | 102.2 | 56% | 0.56 | 53% | 0.532 | S | S | * | . | trans | -63.6 | 125.1 | 176.8 | -73.7 | 170.6 | 0 | 0 | 0 | 110.2 | V258 M259 N260 | V258-L262 PolarHBondContact O-N 3.46Å; M259-L262 HydrophobicContact CE-CD1 3.84Å; M259-L262 WeakPolarHBondContact O-CB 2.99Å; M259-L262 PolarHBondContact O-N 3.21Å; M259-L262 HydrophobicContact SD-CD1 3.93Å; N260-L262 VanDerWaalsContact C-N 3.27Å; N260-L262 PolarHBondContact O-N 3.05Å | ||
| 263 | P | 84.9 | Confident | 87.6 | Confident | 88 Ų | 88 | 102 Ų | 102 | 57% | 0.571 | 54% | 0.537 | S | S | * | . | trans | -71.9 | 136.8 | -178.8 | 28.6 | -33.6 | 0 | 0 | 0 | 111 | L265 | P263-L265 PolarHBondContact O-N 2.95Š| ||
| 264 | D | 81.8 | Confident | 87.5 | Confident | 105 Ų | 105 | 101.4 Ų | 101.4 | 56% | 0.561 | 53% | 0.534 | S | S | * | . | trans | -76.4 | 111.5 | 168.7 | -172.8 | 1.1 | 0 | 0 | 0 | 109.7 | D266 | D264-D266 VanDerWaalsContact C-N 3.33Å; D264-D266 PolarHBondContact OD1-N 3.09Å | ||
| 265 | L | 76.5 | Confident | 87.5 | Confident | 105 Ų | 105 | 98.8 Ų | 98.8 | 55% | 0.55 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -18.4 | -175 | -68.1 | 170.9 | 0 | 0 | 0 | 113.2 | P263 A267 W270 | P263-L265 PolarHBondContact O-N 2.95Å; L265-A267 VanDerWaalsContact C-N 3.29Å; L265-A267 PolarHBondContact O-N 3.29Å; L265-W270 HydrophobicContact CD2-CH2 4.16Å; L265-W270 HydrophobicContact CD2-CZ2 4.07Å; L265-W270 HydrophobicContact CD2-CZ3 4.41Å |
| 266 | D | 79.5 | Confident | 87.6 | Confident | 148 Ų | 148 | 100.4 Ų | 100.4 | 79% | 0.791 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -6.2 | -175.5 | -72.2 | -24.4 | 0 | 0 | 0 | 112.8 | D264 T268 | D264-D266 VanDerWaalsContact C-N 3.33Å; D264-D266 PolarHBondContact OD1-N 3.09Å; D266-T268 PolarHBondContact O-N 3.49Å |
| 267 | A | 81.7 | Confident | 87.7 | Confident | 21 Ų | 21 | 101.2 Ų | 101.2 | 17% | 0.174 | 54% | 0.543 | C | S | . | . | trans | -67.1 | 124 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L265 Y269 W270 L271 | L265-A267 VanDerWaalsContact C-N 3.29Å; L265-A267 PolarHBondContact O-N 3.29Å; A267-Y269 HydrophobicContact CB-CD1 3.5Å; A267-Y269 HydrophobicContact CB-CE1 3.18Å; A267-Y269 PolarHBondContact O-N 3.28Å; A267-W270 WeakPolarHBondContact O-CB 3.3Å; A267-W270 PolarHBondContact O-N 2.83Å; A267-L271 PolarHBondContact O-N 2.93Å | ||
| 268 | T | 82.6 | Confident | 87.8 | Confident | 98 Ų | 98 | 98.9 Ų | 98.9 | 60% | 0.601 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -56.9 | -31.5 | -173.7 | -47.3 | 0 | 0 | 0 | 0 | 113.4 | D266 W270 L271 Q272 | D266-T268 PolarHBondContact O-N 3.49Å; T268-W270 VanDerWaalsContact C-N 3.31Å; T268-W270 PolarHBondContact O-N 2.91Å; T268-L271 PolarHBondContact O-N 3.15Å; T268-Q272 WeakPolarHBondContact O-CG 3.28Å; T268-Q272 PolarHBondContact O-N 3.2Å; T268-Q272 VanDerWaalsContact O-N 3.12Å |
| 269 | Y | 83.8 | Confident | 88 | Confident | 164 Ų | 164 | 98.8 Ų | 98.8 | 64% | 0.643 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.3 | -38.5 | 176.9 | 75.6 | -97 | 0 | 0 | 0 | 111.7 | A267 Q272 G273 | A267-Y269 HydrophobicContact CB-CD1 3.5Å; A267-Y269 HydrophobicContact CB-CE1 3.18Å; A267-Y269 PolarHBondContact O-N 3.28Å; Y269-Q272 PolarHBondContact O-N 3.42Å; Y269-G273 PolarHBondContact O-N 2.79Å |
| 270 | W | 84.4 | Confident | 88.2 | Confident | 98 Ų | 98 | 96 Ų | 96 | 37% | 0.371 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.2 | -43.2 | -178.7 | -171.4 | 91.2 | 0 | 0 | 0 | 110 | L265 A267 T268 Q272 G273 F274 | L265-W270 HydrophobicContact CD2-CH2 4.16Å; L265-W270 HydrophobicContact CD2-CZ2 4.07Å; L265-W270 HydrophobicContact CD2-CZ3 4.41Å; A267-W270 WeakPolarHBondContact O-CB 3.3Å; A267-W270 PolarHBondContact O-N 2.83Å; T268-W270 VanDerWaalsContact C-N 3.31Å; T268-W270 PolarHBondContact O-N 2.91Å; W270-Q272 PolarHBondContact O-N 2.96Å; W270-G273 PolarHBondContact O-N 2.92Å; W270-F274 HydrophobicContact CD2-CB 4.49Å; W270-F274 HydrophobicContact CE3-CB 4.17Å; W270-F274 HydrophobicContact CH2-CB 4.24Å; W270-F274 AromaticContact CH2-CD2 3.69Å; W270-F274 HydrophobicContact CH2-CD2 3.69Å; W270-F274 HydrophobicContact CH2-CE2 4.17Å; W270-F274 AromaticContact CH2-CG 3.9Å; W270-F274 HydrophobicContact CH2-CG 3.9Å; W270-F274 HydrophobicContact CZ2-CD2 4.02Å; W270-F274 HydrophobicContact CZ2-CG 4.47Å; W270-F274 HydrophobicContact CZ3-CB 4.04Å; W270-F274 HydrophobicContact CZ3-CD1 4.42Å; W270-F274 HydrophobicContact CZ3-CD2 4.26Å; W270-F274 AromaticContact CZ3-CG 3.98Å; W270-F274 HydrophobicContact CZ3-CG 3.98Å; W270-F274 WeakPolarHBondContact O-CB 3.41Å; W270-F274 PolarHBondContact O-N 3.43Å |
| 271 | L | 87.7 | Confident | 88.4 | Confident | 103 Ų | 103 | 96.7 Ų | 96.7 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 177.2 | -174.8 | 63.7 | 0 | 0 | 0 | 112.6 | A267 T268 T275 | A267-L271 PolarHBondContact O-N 2.93Å; T268-L271 PolarHBondContact O-N 3.15Å; L271-T275 VanDerWaalsContact O-CB 3.31Å; L271-T275 WeakPolarHBondContact O-CB 3.32Å; L271-T275 PolarHBondContact O-N 3.21Å; L271-T275 PolarHBondContact O-OG1 3.46Å |
| 272 | Q | 89.3 | Confident | 88.6 | Confident | 138 Ų | 138 | 96.2 Ų | 96.2 | 65% | 0.645 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.5 | -46.4 | 176 | -72.2 | -178.8 | -1.7 | 0 | 0 | 111.9 | T268 Y269 W270 T275 S276 | T268-Q272 WeakPolarHBondContact O-CG 3.28Å; T268-Q272 PolarHBondContact O-N 3.2Å; T268-Q272 VanDerWaalsContact O-N 3.12Å; Y269-Q272 PolarHBondContact O-N 3.42Å; W270-Q272 PolarHBondContact O-N 2.96Å; Q272-T275 PolarHBondContact O-N 3.38Å; Q272-S276 WeakPolarHBondContact O-CB 3.07Å; Q272-S276 PolarHBondContact O-N 3.36Å |
| 273 | G | 90.7 | Very high | 89 | Confident | 37 Ų | 37 | 97 Ų | 97 | 38% | 0.381 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.8 | -48 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y269 W270 T275 S276 E277 | Y269-G273 PolarHBondContact O-N 2.79Å; W270-G273 PolarHBondContact O-N 2.92Å; G273-T275 VanDerWaalsContact C-N 3.32Å; G273-T275 PolarHBondContact O-N 3.08Å; G273-S276 WeakPolarHBondContact O-CB 3.17Å; G273-S276 PolarHBondContact O-N 3.24Å; G273-E277 PolarHBondContact O-N 3.34Å |
| 274 | F | 90.2 | Very high | 89.5 | Confident | 110 Ų | 110 | 97.4 Ų | 97.4 | 48% | 0.482 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.1 | -42.1 | 177.4 | -177.8 | -98 | 0 | 0 | 0 | 112.2 | W270 E277 N278 | W270-F274 HydrophobicContact CD2-CB 4.49Å; W270-F274 HydrophobicContact CE3-CB 4.17Å; W270-F274 HydrophobicContact CH2-CB 4.24Å; W270-F274 AromaticContact CH2-CD2 3.69Å; W270-F274 HydrophobicContact CH2-CD2 3.69Å; W270-F274 HydrophobicContact CH2-CE2 4.17Å; W270-F274 AromaticContact CH2-CG 3.9Å; W270-F274 HydrophobicContact CH2-CG 3.9Å; W270-F274 HydrophobicContact CZ2-CD2 4.02Å; W270-F274 HydrophobicContact CZ2-CG 4.47Å; W270-F274 HydrophobicContact CZ3-CB 4.04Å; W270-F274 HydrophobicContact CZ3-CD1 4.42Å; W270-F274 HydrophobicContact CZ3-CD2 4.26Å; W270-F274 AromaticContact CZ3-CG 3.98Å; W270-F274 HydrophobicContact CZ3-CG 3.98Å; W270-F274 WeakPolarHBondContact O-CB 3.41Å; W270-F274 PolarHBondContact O-N 3.43Å; F274-E277 PolarHBondContact O-N 3.19Å; F274-N278 WeakPolarHBondContact O-CB 3.24Å; F274-N278 PolarHBondContact O-N 3.38Å |
| 275 | T | 91.5 | Very high | 90.1 | Very high | 63 Ų | 63 | 97.5 Ų | 97.5 | 39% | 0.387 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 177.2 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | L271 Q272 G273 N278 N279 | L271-T275 VanDerWaalsContact O-CB 3.31Å; L271-T275 WeakPolarHBondContact O-CB 3.32Å; L271-T275 PolarHBondContact O-N 3.21Å; L271-T275 PolarHBondContact O-OG1 3.46Å; Q272-T275 PolarHBondContact O-N 3.38Å; G273-T275 VanDerWaalsContact C-N 3.32Å; G273-T275 PolarHBondContact O-N 3.08Å; T275-N278 PolarHBondContact O-N 3.31Å; T275-N279 WeakPolarHBondContact O-CB 3.32Å; T275-N279 PolarHBondContact O-N 3.11Å; T275-N279 PolarHBondContact O-ND2 3.48Å |
| 276 | S | 93.6 | Very high | 91.1 | Very high | 68 Ų | 68 | 98.5 Ų | 98.5 | 48% | 0.476 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 176.6 | -174.5 | 0 | 0 | 0 | 0 | 112.2 | Q272 G273 N279 T280 | Q272-S276 WeakPolarHBondContact O-CB 3.07Å; Q272-S276 PolarHBondContact O-N 3.36Å; G273-S276 WeakPolarHBondContact O-CB 3.17Å; G273-S276 PolarHBondContact O-N 3.24Å; S276-N279 PolarHBondContact O-N 2.91Å; S276-T280 PolarHBondContact O-N 3.38Å; S276-T280 VanDerWaalsContact O-N 3.07Å; S276-T280 PolarHBondContact O-OG1 2.91Å |
| 277 | E | 94.4 | Very high | 92 | Very high | 130 Ų | 130 | 97.3 Ų | 97.3 | 61% | 0.607 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65 | -44.4 | 176.8 | -75.1 | -58.2 | 135.1 | 0 | 0 | 111.8 | G273 F274 N279 T280 M281 | G273-E277 PolarHBondContact O-N 3.34Å; F274-E277 PolarHBondContact O-N 3.19Å; E277-N279 VanDerWaalsContact C-N 3.34Å; E277-N279 PolarHBondContact O-N 2.9Å; E277-T280 WeakPolarHBondContact O-CB 3.42Å; E277-T280 PolarHBondContact O-N 2.82Å; E277-T280 VanDerWaalsContact O-N 3.17Å; E277-M281 PolarHBondContact O-N 2.62Å |
| 278 | N | 95.6 | Very high | 92.6 | Very high | 79 Ų | 79 | 98.9 Ų | 98.9 | 42% | 0.422 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 177.4 | -174.3 | 51.7 | 0 | 0 | 0 | 112.1 | F274 T275 T280 M281 L282 | F274-N278 WeakPolarHBondContact O-CB 3.24Å; F274-N278 PolarHBondContact O-N 3.38Å; T275-N278 PolarHBondContact O-N 3.31Å; N278-T280 VanDerWaalsContact C-N 3.33Å; N278-T280 PolarHBondContact O-N 3.42Å; N278-M281 PolarHBondContact O-N 2.73Å; N278-L282 VanDerWaalsContact O-CB 3.31Å; N278-L282 WeakPolarHBondContact O-CB 3.49Å; N278-L282 PolarHBondContact O-N 2.65Å |
| 279 | N | 96 | Very high | 93.3 | Very high | 93 Ų | 93 | 97 Ų | 97 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | 174.6 | -75.3 | -17.6 | 0 | 0 | 0 | 111.7 | T275 S276 E277 L282 M283 | T275-N279 WeakPolarHBondContact O-CB 3.32Å; T275-N279 PolarHBondContact O-N 3.11Å; T275-N279 PolarHBondContact O-ND2 3.48Å; S276-N279 PolarHBondContact O-N 2.91Å; E277-N279 VanDerWaalsContact C-N 3.34Å; E277-N279 PolarHBondContact O-N 2.9Å; N279-L282 PolarHBondContact O-N 3.3Å; N279-M283 PolarHBondContact O-N 3.14Å |
| 280 | T | 96.5 | Very high | 93.9 | Very high | 61 Ų | 61 | 93 Ų | 93 | 37% | 0.374 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.3 | -45.5 | 177.2 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | S276 E277 N278 L282 M283 N284 | S276-T280 PolarHBondContact O-N 3.38Å; S276-T280 VanDerWaalsContact O-N 3.07Å; S276-T280 PolarHBondContact O-OG1 2.91Å; E277-T280 WeakPolarHBondContact O-CB 3.42Å; E277-T280 PolarHBondContact O-N 2.82Å; E277-T280 VanDerWaalsContact O-N 3.17Å; N278-T280 VanDerWaalsContact C-N 3.33Å; N278-T280 PolarHBondContact O-N 3.42Å; T280-L282 VanDerWaalsContact C-N 3.33Å; T280-L282 PolarHBondContact O-N 2.78Å; T280-M283 PolarHBondContact O-N 3.33Å; T280-N284 PolarHBondContact O-N 3Å; T280-N284 VanDerWaalsContact O-N 3.08Å |
| 281 | M | 95.9 | Very high | 94.5 | Very high | 136 Ų | 136 | 90.8 Ų | 90.8 | 67% | 0.67 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.5 | -41.4 | 175.7 | 178.2 | 172.3 | 153.3 | 0 | 0 | 111.9 | E277 N278 N284 L285 | E277-M281 PolarHBondContact O-N 2.62Å; N278-M281 PolarHBondContact O-N 2.73Å; M281-N284 PolarHBondContact O-N 2.99Å; M281-L285 PolarHBondContact O-N 2.74Å |
| 282 | L | 96.2 | Very high | 94.9 | Very high | 69 Ų | 69 | 94.6 Ų | 94.6 | 36% | 0.361 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.7 | -39.8 | 177.5 | -178 | 60.2 | 0 | 0 | 0 | 111.8 | N278 N279 T280 N284 L285 F286 | N278-L282 VanDerWaalsContact O-CB 3.31Å; N278-L282 WeakPolarHBondContact O-CB 3.49Å; N278-L282 PolarHBondContact O-N 2.65Å; N279-L282 PolarHBondContact O-N 3.3Å; T280-L282 VanDerWaalsContact C-N 3.33Å; T280-L282 PolarHBondContact O-N 2.78Å; L282-N284 VanDerWaalsContact C-N 3.33Å; L282-N284 PolarHBondContact O-N 3.32Å; L282-L285 HydrophobicContact CD1-CD2 4.33Å; L282-L285 WeakPolarHBondContact O-CB 3.23Å; L282-L285 PolarHBondContact O-N 2.97Å; L282-F286 HydrophobicContact CD1-CD2 3.96Å; L282-F286 HydrophobicContact CD1-CE2 3.54Å; L282-F286 HydrophobicContact CD1-CZ 4.15Å; L282-F286 HydrophobicContact CD2-CE2 3.87Å; L282-F286 HydrophobicContact CG-CD2 3.77Å; L282-F286 HydrophobicContact CG-CE2 3.45Å; L282-F286 VanDerWaalsContact CG-CE2 3.45Å; L282-F286 HydrophobicContact CG-CZ 4.45Å; L282-F286 WeakPolarHBondContact O-CD2 3.26Å; L282-F286 PolarHBondContact O-N 2.86Å |
| 283 | M | 96 | Very high | 95.3 | Very high | 124 Ų | 124 | 90.7 Ų | 90.7 | 61% | 0.611 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.5 | -42.6 | 174.4 | -171.7 | 164.7 | 70.2 | 0 | 0 | 111.6 | N279 T280 L285 F286 L287 | N279-M283 PolarHBondContact O-N 3.14Å; T280-M283 PolarHBondContact O-N 3.33Å; M283-L285 VanDerWaalsContact C-N 3.35Å; M283-L285 PolarHBondContact O-N 2.87Å; M283-F286 PolarHBondContact O-N 3.09Å; M283-L287 PolarHBondContact O-N 2.82Å |
| 284 | N | 95.4 | Very high | 95.6 | Very high | 95 Ų | 95 | 93.3 Ų | 93.3 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 174.6 | -71.9 | -23.6 | 0 | 0 | 0 | 112.3 | T280 M281 L282 L287 S288 | T280-N284 PolarHBondContact O-N 3Å; T280-N284 VanDerWaalsContact O-N 3.08Å; M281-N284 PolarHBondContact O-N 2.99Å; L282-N284 VanDerWaalsContact C-N 3.33Å; L282-N284 PolarHBondContact O-N 3.32Å; N284-L287 PolarHBondContact O-N 2.8Å; N284-S288 WeakPolarHBondContact O-CB 3.45Å; N284-S288 PolarHBondContact O-N 2.77Å |
| 285 | L | 95.4 | Very high | 95.9 | Very high | 108 Ų | 108 | 93.2 Ų | 93.2 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.9 | -42.5 | 175.1 | -177.3 | 65.2 | 0 | 0 | 0 | 111.6 | M281 L282 M283 S288 S289 | M281-L285 PolarHBondContact O-N 2.74Å; L282-L285 HydrophobicContact CD1-CD2 4.33Å; L282-L285 WeakPolarHBondContact O-CB 3.23Å; L282-L285 PolarHBondContact O-N 2.97Å; M283-L285 VanDerWaalsContact C-N 3.35Å; M283-L285 PolarHBondContact O-N 2.87Å; L285-S288 PolarHBondContact O-N 3.24Å; L285-S289 WeakPolarHBondContact O-CB 3.27Å; L285-S289 PolarHBondContact O-N 3.41Å; L285-S289 PolarHBondContact O-OG 3.48Å |
| 286 | F | 97 | Very high | 96.2 | Very high | 125 Ų | 125 | 92 Ų | 92 | 55% | 0.548 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65 | -42.2 | 176.1 | -81 | -60 | 0 | 0 | 0 | 113 | L282 M283 S289 T290 | L282-F286 HydrophobicContact CD1-CD2 3.96Å; L282-F286 HydrophobicContact CD1-CE2 3.54Å; L282-F286 HydrophobicContact CD1-CZ 4.15Å; L282-F286 HydrophobicContact CD2-CE2 3.87Å; L282-F286 HydrophobicContact CG-CD2 3.77Å; L282-F286 HydrophobicContact CG-CE2 3.45Å; L282-F286 VanDerWaalsContact CG-CE2 3.45Å; L282-F286 HydrophobicContact CG-CZ 4.45Å; L282-F286 WeakPolarHBondContact O-CD2 3.26Å; L282-F286 PolarHBondContact O-N 2.86Å; M283-F286 PolarHBondContact O-N 3.09Å; F286-S289 WeakPolarHBondContact CA-OG 3.26Å; F286-S289 PolarHBondContact O-N 2.94Å; F286-S289 PolarHBondContact O-OG 3.41Å; F286-T290 WeakPolarHBondContact O-CB 3.43Å; F286-T290 PolarHBondContact O-N 3.2Å; F286-T290 PolarHBondContact O-OG1 3.24Å |
| 287 | L | 97 | Very high | 96.3 | Very high | 123 Ų | 123 | 93.7 Ų | 93.7 | 64% | 0.644 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.1 | -45.7 | 175.4 | -178.9 | 60.6 | 0 | 0 | 0 | 111 | M283 N284 T290 A291 | M283-L287 PolarHBondContact O-N 2.82Å; N284-L287 PolarHBondContact O-N 2.8Å; L287-T290 PolarHBondContact O-N 3.19Å; L287-A291 WeakPolarHBondContact O-CB 3.38Å; L287-A291 PolarHBondContact O-N 2.59Å |
| 288 | S | 95.7 | Very high | 96.4 | Very high | 55 Ų | 55 | 92.4 Ų | 92.4 | 39% | 0.385 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 178.3 | -176.1 | 0 | 0 | 0 | 0 | 112.5 | N284 L285 A291 R292 | N284-S288 WeakPolarHBondContact O-CB 3.45Å; N284-S288 PolarHBondContact O-N 2.77Å; L285-S288 PolarHBondContact O-N 3.24Å; S288-A291 PolarHBondContact O-N 2.87Å; S288-R292 WeakPolarHBondContact O-CB 3.28Å; S288-R292 WeakPolarHBondContact O-CG 3.5Å; S288-R292 PolarHBondContact O-N 3.22Å |
| 289 | S | 96.4 | Very high | 96.5 | Very high | 57 Ų | 57 | 92.6 Ų | 92.6 | 40% | 0.399 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.2 | -36.7 | 177.6 | 67.5 | 0 | 0 | 0 | 0 | 112.3 | L285 F286 R292 A293 | L285-S289 WeakPolarHBondContact O-CB 3.27Å; L285-S289 PolarHBondContact O-N 3.41Å; L285-S289 PolarHBondContact O-OG 3.48Å; F286-S289 WeakPolarHBondContact CA-OG 3.26Å; F286-S289 PolarHBondContact O-N 2.94Å; F286-S289 PolarHBondContact O-OG 3.41Å; S289-R292 PolarHBondContact O-N 3.43Å; S289-A293 WeakPolarHBondContact O-CB 3.37Å; S289-A293 PolarHBondContact O-N 2.87Å |
| 290 | T | 96.8 | Very high | 96.5 | Very high | 82 Ų | 82 | 93.3 Ų | 93.3 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.4 | -45.7 | 174.8 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | F286 L287 R292 A293 V294 | F286-T290 WeakPolarHBondContact O-CB 3.43Å; F286-T290 PolarHBondContact O-N 3.2Å; F286-T290 PolarHBondContact O-OG1 3.24Å; L287-T290 PolarHBondContact O-N 3.19Å; T290-R292 VanDerWaalsContact C-N 3.34Å; T290-R292 PolarHBondContact O-N 2.89Å; T290-A293 WeakPolarHBondContact O-CB 3.44Å; T290-A293 PolarHBondContact O-N 3.49Å; T290-A293 VanDerWaalsContact O-N 3.15Å; T290-V294 WeakPolarHBondContact O-CG2 3.13Å; T290-V294 PolarHBondContact O-N 3.4Å |
| 291 | A | 96.9 | Very high | 96.4 | Very high | 50 Ų | 50 | 95.2 Ų | 95.2 | 41% | 0.413 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.9 | -43.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L287 S288 A293 V294 L295 | L287-A291 WeakPolarHBondContact O-CB 3.38Å; L287-A291 PolarHBondContact O-N 2.59Å; S288-A291 PolarHBondContact O-N 2.87Å; A291-A293 VanDerWaalsContact C-N 3.33Å; A291-A293 PolarHBondContact O-N 2.95Å; A291-V294 PolarHBondContact O-N 3.49Å; A291-L295 WeakPolarHBondContact O-CG 3.41Å; A291-L295 PolarHBondContact O-N 3Å |
| 292 | R | 96.2 | Very high | 96.4 | Very high | 184 Ų | 184 | 93.7 Ų | 93.7 | 69% | 0.694 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.6 | -38.1 | 173.6 | -76.5 | -174.9 | -173.8 | 173.3 | 3.2 | 112.8 | S288 S289 T290 L295 G296 | S288-R292 WeakPolarHBondContact O-CB 3.28Å; S288-R292 WeakPolarHBondContact O-CG 3.5Å; S288-R292 PolarHBondContact O-N 3.22Å; S289-R292 PolarHBondContact O-N 3.43Å; T290-R292 VanDerWaalsContact C-N 3.34Å; T290-R292 PolarHBondContact O-N 2.89Å; R292-L295 PolarHBondContact O-N 2.85Å; R292-G296 PolarHBondContact O-N 2.88Å |
| 293 | A | 97 | Very high | 96.4 | Very high | 56 Ų | 56 | 95.2 Ų | 95.2 | 46% | 0.463 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S289 T290 A291 G296 L297 | S289-A293 WeakPolarHBondContact O-CB 3.37Å; S289-A293 PolarHBondContact O-N 2.87Å; T290-A293 WeakPolarHBondContact O-CB 3.44Å; T290-A293 PolarHBondContact O-N 3.49Å; T290-A293 VanDerWaalsContact O-N 3.15Å; A291-A293 VanDerWaalsContact C-N 3.33Å; A291-A293 PolarHBondContact O-N 2.95Å; A293-G296 PolarHBondContact O-N 2.74Å; A293-L297 VanDerWaalsContact O-CG 3.31Å; A293-L297 WeakPolarHBondContact O-CG 3.4Å; A293-L297 PolarHBondContact O-N 3.32Å |
| 294 | V | 97 | Very high | 96.3 | Very high | 92 Ų | 92 | 95.2 Ų | 95.2 | 56% | 0.558 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.1 | -44.6 | 175.5 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | T290 A291 L297 H298 | T290-V294 WeakPolarHBondContact O-CG2 3.13Å; T290-V294 PolarHBondContact O-N 3.4Å; A291-V294 PolarHBondContact O-N 3.49Å; V294-L297 PolarHBondContact O-N 2.89Å; V294-H298 PolarHBondContact O-N 2.89Å |
| 295 | L | 97 | Very high | 96.3 | Very high | 107 Ų | 107 | 95.5 Ų | 95.5 | 56% | 0.56 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.2 | -46.1 | 175 | -69.9 | 172.8 | 0 | 0 | 0 | 111.5 | A291 R292 L297 H298 D299 | A291-L295 WeakPolarHBondContact O-CG 3.41Å; A291-L295 PolarHBondContact O-N 3Å; R292-L295 PolarHBondContact O-N 2.85Å; L295-L297 VanDerWaalsContact C-N 3.27Å; L295-L297 PolarHBondContact O-N 3.41Å; L295-H298 WeakPolarHBondContact O-CA 3.13Å; L295-H298 WeakPolarHBondContact O-CB 3.32Å; L295-H298 PolarHBondContact O-N 3.39Å; L295-D299 PolarHBondContact O-N 3.25Å |
| 296 | G | 97.3 | Very high | 96.2 | Very high | 38 Ų | 38 | 93.2 Ų | 93.2 | 39% | 0.392 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.1 | -32.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R292 A293 L300 | R292-G296 PolarHBondContact O-N 2.88Å; A293-G296 PolarHBondContact O-N 2.74Å; G296-L300 WeakPolarHBondContact O-CB 3.48Å; G296-L300 PolarHBondContact O-N 3.39Å |
| 297 | L | 96.4 | Very high | 96.1 | Very high | 104 Ų | 104 | 92.6 Ų | 92.6 | 55% | 0.545 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.5 | -40.1 | 171.4 | -74.8 | 171.9 | 0 | 0 | 0 | 112.1 | A293 V294 L295 L300 I301 | A293-L297 VanDerWaalsContact O-CG 3.31Å; A293-L297 WeakPolarHBondContact O-CG 3.4Å; A293-L297 PolarHBondContact O-N 3.32Å; V294-L297 PolarHBondContact O-N 2.89Å; L295-L297 VanDerWaalsContact C-N 3.27Å; L295-L297 PolarHBondContact O-N 3.41Å; L297-L300 PolarHBondContact O-N 3.12Å; L297-I301 VanDerWaalsContact O-CG1 3.29Å; L297-I301 WeakPolarHBondContact O-CG1 3.46Å; L297-I301 PolarHBondContact O-N 3.48Å |
| 298 | H | 96.5 | Very high | 95.9 | Very high | 102 Ų | 102 | 93.3 Ų | 93.3 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61 | -49.7 | 175.1 | -171.1 | 69.4 | 0 | 0 | 0 | 110.9 | V294 L295 L300 I301 E302 | V294-H298 PolarHBondContact O-N 2.89Å; L295-H298 WeakPolarHBondContact O-CA 3.13Å; L295-H298 WeakPolarHBondContact O-CB 3.32Å; L295-H298 PolarHBondContact O-N 3.39Å; H298-L300 VanDerWaalsContact C-N 3.27Å; H298-L300 PolarHBondContact O-N 2.82Å; H298-I301 WeakPolarHBondContact O-CB 3.47Å; H298-I301 PolarHBondContact O-N 3.29Å; H298-E302 IonicContact CD2-OE1 3.95Å; H298-E302 IonicContact CE1-OE1 3.99Å; H298-E302 IonicContact NE2-OE1 3.29Å; H298-E302 PolarHBondContact NE2-OE1 3.04Å; H298-E302 PolarHBondContact O-N 3.09Å |
| 299 | D | 96.8 | Very high | 95.7 | Very high | 84 Ų | 84 | 94.5 Ų | 94.5 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.6 | -38.9 | 176.1 | -64.5 | -13.4 | 0 | 0 | 0 | 111.5 | L295 E302 N303 | L295-D299 PolarHBondContact O-N 3.25Å; D299-E302 PolarHBondContact O-N 3.45Å; D299-N303 WeakPolarHBondContact O-CB 3.32Å; D299-N303 PolarHBondContact O-N 3.28Å; D299-N303 PolarHBondContact O-ND2 3.3Å |
| 300 | L | 96.2 | Very high | 95.5 | Very high | 107 Ų | 107 | 94.2 Ų | 94.2 | 56% | 0.56 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.9 | -40.4 | 176 | -177.7 | 66.7 | 0 | 0 | 0 | 112.2 | G296 L297 H298 K304 | G296-L300 WeakPolarHBondContact O-CB 3.48Å; G296-L300 PolarHBondContact O-N 3.39Å; L297-L300 PolarHBondContact O-N 3.12Å; H298-L300 VanDerWaalsContact C-N 3.27Å; H298-L300 PolarHBondContact O-N 2.82Å; L300-K304 VanDerWaalsContact O-CB 3.27Å; L300-K304 WeakPolarHBondContact O-CB 3.43Å; L300-K304 PolarHBondContact O-N 2.94Å |
| 301 | I | 95.6 | Very high | 95.2 | Very high | 101 Ų | 101 | 95.7 Ų | 95.7 | 52% | 0.518 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.1 | -46.8 | 176.8 | -69 | 164.8 | 0 | 0 | 0 | 109.9 | L297 H298 K304 L305 | L297-I301 VanDerWaalsContact O-CG1 3.29Å; L297-I301 WeakPolarHBondContact O-CG1 3.46Å; L297-I301 PolarHBondContact O-N 3.48Å; H298-I301 WeakPolarHBondContact O-CB 3.47Å; H298-I301 PolarHBondContact O-N 3.29Å; I301-K304 PolarHBondContact O-N 3.42Å; I301-L305 HydrophobicContact CG2-CD1 3.89Å; I301-L305 HydrophobicContact CG2-CG 4.48Å; I301-L305 WeakPolarHBondContact O-CB 3.03Å; I301-L305 WeakPolarHBondContact O-CG 3.28Å; I301-L305 PolarHBondContact O-N 3.24Å |
| 302 | E | 95.9 | Very high | 94.8 | Very high | 105 Ų | 105 | 101.2 Ų | 101.2 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.4 | -48.2 | 176.9 | -69.2 | -164.3 | 152.6 | 0 | 0 | 111.5 | H298 D299 K304 L305 A306 | H298-E302 IonicContact CD2-OE1 3.95Å; H298-E302 IonicContact CE1-OE1 3.99Å; H298-E302 IonicContact NE2-OE1 3.29Å; H298-E302 PolarHBondContact NE2-OE1 3.04Å; H298-E302 PolarHBondContact O-N 3.09Å; D299-E302 PolarHBondContact O-N 3.45Å; E302-K304 VanDerWaalsContact C-N 3.31Å; E302-K304 PolarHBondContact O-N 2.86Å; E302-L305 PolarHBondContact O-N 3.08Å; E302-A306 WeakPolarHBondContact O-CB 3.46Å; E302-A306 PolarHBondContact O-N 3.21Å |
| 303 | N | 95.3 | Very high | 94.5 | Very high | 100 Ų | 100 | 95.9 Ų | 95.9 | 54% | 0.535 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.5 | -41.7 | 176.3 | -77.5 | -37 | 0 | 0 | 0 | 112 | D299 A306 L307 | D299-N303 WeakPolarHBondContact O-CB 3.32Å; D299-N303 PolarHBondContact O-N 3.28Å; D299-N303 PolarHBondContact O-ND2 3.3Å; N303-A306 PolarHBondContact O-N 3.08Å; N303-L307 WeakPolarHBondContact O-CB 3.48Å; N303-L307 VanDerWaalsContact O-CG 3.27Å; N303-L307 WeakPolarHBondContact O-CG 3.25Å; N303-L307 PolarHBondContact O-N 3.49Å |
| 304 | K | 95.4 | Very high | 94.1 | Very high | 124 Ų | 124 | 98.6 Ų | 98.6 | 54% | 0.539 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70 | -36.2 | 178.5 | -170.3 | 172.7 | -173.9 | 173.3 | 0 | 112.8 | L300 I301 E302 R308 | L300-K304 VanDerWaalsContact O-CB 3.27Å; L300-K304 WeakPolarHBondContact O-CB 3.43Å; L300-K304 PolarHBondContact O-N 2.94Å; I301-K304 PolarHBondContact O-N 3.42Å; E302-K304 VanDerWaalsContact C-N 3.31Å; E302-K304 PolarHBondContact O-N 2.86Å; K304-R308 WeakPolarHBondContact O-CG 3.34Å; K304-R308 PolarHBondContact O-N 2.88Å; K304-R308 VanDerWaalsContact O-N 3.08Å |
| 305 | L | 94.5 | Very high | 93.6 | Very high | 101 Ų | 101 | 98.2 Ų | 98.2 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.5 | -46 | 173.8 | -75 | 167.3 | 0 | 0 | 0 | 110.8 | I301 E302 L307 R308 V309 | I301-L305 HydrophobicContact CG2-CD1 3.89Å; I301-L305 HydrophobicContact CG2-CG 4.48Å; I301-L305 WeakPolarHBondContact O-CB 3.03Å; I301-L305 WeakPolarHBondContact O-CG 3.28Å; I301-L305 PolarHBondContact O-N 3.24Å; E302-L305 PolarHBondContact O-N 3.08Å; L305-L307 PolarHBondContact O-N 2.92Å; L305-R308 PolarHBondContact O-N 3.36Å; L305-V309 WeakPolarHBondContact O-CG2 2.89Å; L305-V309 PolarHBondContact O-N 3.04Å |
| 306 | A | 94.3 | Very high | 93.1 | Very high | 60 Ų | 60 | 100.5 Ų | 100.5 | 50% | 0.496 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.7 | -45.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E302 N303 R308 V309 A310 | E302-A306 WeakPolarHBondContact O-CB 3.46Å; E302-A306 PolarHBondContact O-N 3.21Å; N303-A306 PolarHBondContact O-N 3.08Å; A306-R308 PolarHBondContact O-N 3.49Å; A306-V309 PolarHBondContact O-N 2.92Å; A306-A310 WeakPolarHBondContact O-CB 3.41Å; A306-A310 PolarHBondContact O-N 3.36Å |
| 307 | L | 93.8 | Very high | 92.5 | Very high | 112 Ų | 112 | 104.2 Ų | 104.2 | 59% | 0.586 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.1 | -44.4 | 175.2 | -75.9 | 169.9 | 0 | 0 | 0 | 112.5 | N303 L305 V309 A310 E311 | N303-L307 WeakPolarHBondContact O-CB 3.48Å; N303-L307 VanDerWaalsContact O-CG 3.27Å; N303-L307 WeakPolarHBondContact O-CG 3.25Å; N303-L307 PolarHBondContact O-N 3.49Å; L305-L307 PolarHBondContact O-N 2.92Å; L307-V309 VanDerWaalsContact C-N 3.33Å; L307-V309 PolarHBondContact O-N 3.1Å; L307-A310 PolarHBondContact O-N 3.06Å; L307-E311 WeakPolarHBondContact O-CG 3.45Å; L307-E311 PolarHBondContact O-N 3.07Å |
| 308 | R | 92.5 | Very high | 91.8 | Very high | 139 Ų | 139 | 104.5 Ų | 104.5 | 53% | 0.525 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64 | -36 | 177.4 | -80.4 | -179.3 | 170.5 | -179.1 | -2.1 | 113.2 | K304 L305 A306 R312 | K304-R308 WeakPolarHBondContact O-CG 3.34Å; K304-R308 PolarHBondContact O-N 2.88Å; K304-R308 VanDerWaalsContact O-N 3.08Å; L305-R308 PolarHBondContact O-N 3.36Å; A306-R308 PolarHBondContact O-N 3.49Å; R308-R312 VanDerWaalsContact O-CG 3.31Å; R308-R312 WeakPolarHBondContact O-CG 3.49Å; R308-R312 PolarHBondContact O-N 3.21Å |
| 309 | V | 92.2 | Very high | 91.2 | Very high | 80 Ų | 80 | 108.4 Ų | 108.4 | 49% | 0.485 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.4 | -45 | 175 | 173.7 | 0 | 0 | 0 | 0 | 109.8 | L305 A306 L307 E311 R312 D313 | L305-V309 WeakPolarHBondContact O-CG2 2.89Å; L305-V309 PolarHBondContact O-N 3.04Å; A306-V309 PolarHBondContact O-N 2.92Å; L307-V309 VanDerWaalsContact C-N 3.33Å; L307-V309 PolarHBondContact O-N 3.1Å; V309-E311 PolarHBondContact O-N 2.98Å; V309-R312 PolarHBondContact O-N 3.4Å; V309-D313 PolarHBondContact O-N 3.03Å |
| 310 | A | 91.7 | Very high | 90.5 | Very high | 50 Ų | 50 | 113 Ų | 113 | 41% | 0.413 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.8 | -44 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A306 L307 R312 D313 M314 | A306-A310 WeakPolarHBondContact O-CB 3.41Å; A306-A310 PolarHBondContact O-N 3.36Å; L307-A310 PolarHBondContact O-N 3.06Å; A310-R312 PolarHBondContact O-N 2.71Å; A310-D313 PolarHBondContact O-N 2.99Å; A310-M314 WeakPolarHBondContact O-CG 3.11Å; A310-M314 PolarHBondContact O-N 3.38Å |
| 311 | E | 90.5 | Very high | 89.7 | Confident | 113 Ų | 113 | 113 Ų | 113 | 53% | 0.528 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.6 | -46.4 | 174.4 | -76.4 | 175.4 | 171.7 | 0 | 0 | 111.8 | L307 V309 D313 M314 D315 | L307-E311 WeakPolarHBondContact O-CG 3.45Å; L307-E311 PolarHBondContact O-N 3.07Å; V309-E311 PolarHBondContact O-N 2.98Å; E311-D313 VanDerWaalsContact C-N 3.32Å; E311-D313 PolarHBondContact O-N 3.27Å; E311-M314 PolarHBondContact O-N 3.49Å; E311-D315 WeakPolarHBondContact O-CB 3.3Å; E311-D315 PolarHBondContact O-N 3.41Å |
| 312 | R | 89.6 | Confident | 89 | Confident | 166 Ų | 166 | 110.6 Ų | 110.6 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.9 | -38.1 | 178.5 | -75.3 | 173.7 | 174.5 | -179.1 | -1 | 112.5 | R308 V309 A310 R316 | R308-R312 VanDerWaalsContact O-CG 3.31Å; R308-R312 WeakPolarHBondContact O-CG 3.49Å; R308-R312 PolarHBondContact O-N 3.21Å; V309-R312 PolarHBondContact O-N 3.4Å; A310-R312 PolarHBondContact O-N 2.71Å; R312-R316 WeakPolarHBondContact O-CB 3.46Å; R312-R316 WeakPolarHBondContact O-CD 3.43Å; R312-R316 WeakPolarHBondContact O-CG 3.39Å; R312-R316 PolarHBondContact O-N 3.09Å |
| 313 | D | 89.9 | Confident | 88.2 | Confident | 72 Ų | 72 | 110.9 Ų | 110.9 | 39% | 0.385 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -72.7 | -37.1 | 178.3 | -73.9 | -22.2 | 0 | 0 | 0 | 111.7 | V309 A310 E311 R316 Q317 | V309-D313 PolarHBondContact O-N 3.03Å; A310-D313 PolarHBondContact O-N 2.99Å; E311-D313 VanDerWaalsContact C-N 3.32Å; E311-D313 PolarHBondContact O-N 3.27Å; D313-R316 PolarHBondContact O-N 3.09Å; D313-R316 IonicContact OD1-NH1 3.68Å; D313-Q317 WeakPolarHBondContact O-CB 3.46Å; D313-Q317 VanDerWaalsContact O-CG 3.31Å; D313-Q317 WeakPolarHBondContact O-CG 3.45Å; D313-Q317 PolarHBondContact O-N 2.86Å |
| 314 | M | 86.9 | Confident | 87.4 | Confident | 114 Ų | 114 | 113.5 Ų | 113.5 | 56% | 0.562 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.4 | -44.1 | 170.2 | -72.5 | -150.7 | -63.8 | 0 | 0 | 112 | A310 E311 R316 Q317 M318 | A310-M314 WeakPolarHBondContact O-CG 3.11Å; A310-M314 PolarHBondContact O-N 3.38Å; E311-M314 PolarHBondContact O-N 3.49Å; M314-R316 VanDerWaalsContact C-N 3.3Å; M314-R316 PolarHBondContact O-N 3.33Å; M314-Q317 PolarHBondContact O-N 3.34Å; M314-M318 WeakPolarHBondContact O-CB 3.4Å; M314-M318 WeakPolarHBondContact O-CG 3.24Å; M314-M318 PolarHBondContact O-N 3.34Å |
| 315 | D | 87.8 | Confident | 86.5 | Confident | 84 Ų | 84 | 116.7 Ų | 116.7 | 45% | 0.449 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.2 | -40 | 175.4 | -82.9 | -13.8 | 0 | 0 | 0 | 111.9 | E311 M318 R319 | E311-D315 WeakPolarHBondContact O-CB 3.3Å; E311-D315 PolarHBondContact O-N 3.41Å; D315-M318 WeakPolarHBondContact OD1-CE 3.41Å; D315-R319 WeakPolarHBondContact O-CB 3.4Å; D315-R319 VanDerWaalsContact O-CG 3.26Å; D315-R319 WeakPolarHBondContact O-CG 3.34Å; D315-R319 PolarHBondContact O-N 3.39Å |
| 316 | R | 85.8 | Confident | 85.6 | Confident | 155 Ų | 155 | 119 Ų | 119 | 59% | 0.585 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.2 | -40.7 | 174.8 | -76.4 | 168.4 | 173.7 | -175.7 | -3.1 | 111.7 | R312 D313 M314 R320 | R312-R316 WeakPolarHBondContact O-CB 3.46Å; R312-R316 WeakPolarHBondContact O-CD 3.43Å; R312-R316 WeakPolarHBondContact O-CG 3.39Å; R312-R316 PolarHBondContact O-N 3.09Å; D313-R316 PolarHBondContact O-N 3.09Å; D313-R316 IonicContact OD1-NH1 3.68Å; M314-R316 VanDerWaalsContact C-N 3.3Å; M314-R316 PolarHBondContact O-N 3.33Å; R316-R320 WeakPolarHBondContact O-CB 3.31Å; R316-R320 VanDerWaalsContact O-CG 3.27Å; R316-R320 WeakPolarHBondContact O-CG 3.38Å; R316-R320 PolarHBondContact O-N 3.08Å |
| 317 | Q | 84.7 | Confident | 84.5 | Confident | 116 Ų | 116 | 120.5 Ų | 120.5 | 54% | 0.542 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.9 | -49.2 | 175.5 | -75.7 | 177.4 | 3.5 | 0 | 0 | 111.1 | D313 M314 R319 R320 E321 | D313-Q317 WeakPolarHBondContact O-CB 3.46Å; D313-Q317 VanDerWaalsContact O-CG 3.31Å; D313-Q317 WeakPolarHBondContact O-CG 3.45Å; D313-Q317 PolarHBondContact O-N 2.86Å; M314-Q317 PolarHBondContact O-N 3.34Å; Q317-R319 VanDerWaalsContact C-N 3.31Å; Q317-R319 PolarHBondContact O-N 3.04Å; Q317-R320 WeakPolarHBondContact O-CB 3.48Å; Q317-R320 PolarHBondContact O-N 3.43Å; Q317-R320 VanDerWaalsContact O-N 3.08Å; Q317-E321 WeakPolarHBondContact O-CG 3.19Å; Q317-E321 PolarHBondContact O-N 3.12Å |
| 318 | M | 82.7 | Confident | 83.4 | Confident | 110 Ų | 110 | 118.3 Ų | 118.3 | 54% | 0.542 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -57.9 | -41.7 | 175.7 | -76.1 | -166 | -75.8 | 0 | 0 | 112.1 | M314 D315 E321 A322 | M314-M318 WeakPolarHBondContact O-CB 3.4Å; M314-M318 WeakPolarHBondContact O-CG 3.24Å; M314-M318 PolarHBondContact O-N 3.34Å; D315-M318 WeakPolarHBondContact OD1-CE 3.41Å; M318-E321 PolarHBondContact O-N 3.49Å; M318-A322 VanDerWaalsContact O-CB 3.26Å; M318-A322 WeakPolarHBondContact O-CB 3.47Å; M318-A322 PolarHBondContact O-N 3.37Å |
| 319 | R | 83.2 | Confident | 82.1 | Confident | 184 Ų | 184 | 115.8 Ų | 115.8 | 69% | 0.694 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65 | -40.9 | 174.9 | -76.2 | 177.5 | -178.3 | -164.3 | 2.3 | 112.4 | D315 Q317 A322 L323 | D315-R319 WeakPolarHBondContact O-CB 3.4Å; D315-R319 VanDerWaalsContact O-CG 3.26Å; D315-R319 WeakPolarHBondContact O-CG 3.34Å; D315-R319 PolarHBondContact O-N 3.39Å; Q317-R319 VanDerWaalsContact C-N 3.31Å; Q317-R319 PolarHBondContact O-N 3.04Å; R319-A322 PolarHBondContact O-N 2.91Å; R319-L323 PolarHBondContact O-N 3.32Å |
| 320 | R | 81.8 | Confident | 80.6 | Confident | 179 Ų | 179 | 120.3 Ų | 120.3 | 68% | 0.675 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.5 | -41.4 | 175.6 | -77.4 | 173.9 | 174.3 | -179.4 | -0.6 | 111.5 | R316 Q317 L323 K324 | R316-R320 WeakPolarHBondContact O-CB 3.31Å; R316-R320 VanDerWaalsContact O-CG 3.27Å; R316-R320 WeakPolarHBondContact O-CG 3.38Å; R316-R320 PolarHBondContact O-N 3.08Å; Q317-R320 WeakPolarHBondContact O-CB 3.48Å; Q317-R320 PolarHBondContact O-N 3.43Å; Q317-R320 VanDerWaalsContact O-N 3.08Å; R320-L323 PolarHBondContact O-N 2.88Å; R320-K324 WeakPolarHBondContact O-CG 3.31Å; R320-K324 PolarHBondContact O-N 2.9Å |
| 321 | E | 79.9 | Confident | 78.8 | Confident | 109 Ų | 109 | 121.8 Ų | 121.8 | 51% | 0.509 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.7 | -40.3 | 175.6 | -71.7 | -175.9 | 175.6 | 0 | 0 | 112.3 | Q317 M318 K324 R325 | Q317-E321 WeakPolarHBondContact O-CG 3.19Å; Q317-E321 PolarHBondContact O-N 3.12Å; M318-E321 PolarHBondContact O-N 3.49Å; E321-K324 PolarHBondContact O-N 2.86Å; E321-R325 WeakPolarHBondContact O-CG 3.35Å; E321-R325 PolarHBondContact O-N 3.05Å |
| 322 | A | 80.8 | Confident | 77 | Confident | 50 Ų | 50 | 122 Ų | 122 | 41% | 0.413 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.1 | -39 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | M318 R319 R325 K326 | M318-A322 VanDerWaalsContact O-CB 3.26Å; M318-A322 WeakPolarHBondContact O-CB 3.47Å; M318-A322 PolarHBondContact O-N 3.37Å; R319-A322 PolarHBondContact O-N 2.91Å; A322-R325 PolarHBondContact O-N 3.24Å; A322-K326 PolarHBondContact O-N 3.37Å |
| 323 | L | 78.8 | Confident | 75.1 | Confident | 110 Ų | 110 | 123.5 Ų | 123.5 | 58% | 0.576 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63.5 | -49.6 | 172.3 | -111.7 | 94.1 | 0 | 0 | 0 | 111.1 | R319 R320 R325 K326 D327 | R319-L323 PolarHBondContact O-N 3.32Å; R320-L323 PolarHBondContact O-N 2.88Å; L323-R325 VanDerWaalsContact C-N 3.27Å; L323-R325 PolarHBondContact O-N 2.91Å; L323-K326 PolarHBondContact O-N 3.23Å; L323-D327 PolarHBondContact O-N 3.22Å |
| 324 | K | 78.8 | Confident | 73 | Confident | 155 Ų | 155 | 129.9 Ų | 129.9 | 67% | 0.674 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -56.1 | -39.9 | 176.9 | -74.2 | 178.1 | -179.6 | -175.6 | 0 | 112.3 | R320 E321 A328 | R320-K324 WeakPolarHBondContact O-CG 3.31Å; R320-K324 PolarHBondContact O-N 2.9Å; E321-K324 PolarHBondContact O-N 2.86Å; K324-A328 WeakPolarHBondContact O-CB 3.33Å; K324-A328 PolarHBondContact O-N 3.13Å |
| 325 | R | 75.8 | Confident | 71.1 | Confident | 191 Ų | 191 | 133.7 Ų | 133.7 | 72% | 0.721 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -66.7 | -39.8 | 175.1 | -75.3 | -178.8 | 177.5 | -174.6 | 1.6 | 112.6 | E321 A322 L323 A329 | E321-R325 WeakPolarHBondContact O-CG 3.35Å; E321-R325 PolarHBondContact O-N 3.05Å; A322-R325 PolarHBondContact O-N 3.24Å; L323-R325 VanDerWaalsContact C-N 3.27Å; L323-R325 PolarHBondContact O-N 2.91Å; R325-A329 WeakPolarHBondContact O-CB 3.38Å; R325-A329 PolarHBondContact O-N 3.08Å |
| 326 | K | 75.2 | Confident | 68.8 | Low | 150 Ų | 150 | 140.9 Ų | 140.9 | 65% | 0.652 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -66.9 | -40.4 | 175.9 | -80.1 | -175.7 | 175.1 | -178.9 | 0 | 112.2 | A322 L323 A329 K330 | A322-K326 PolarHBondContact O-N 3.37Å; L323-K326 PolarHBondContact O-N 3.23Å; K326-A329 PolarHBondContact O-N 2.9Å; K326-K330 PolarHBondContact O-N 3.42Å |
| 327 | D | 72.9 | Confident | 68 | Low | 91 Ų | 91 | 140.2 Ų | 140.2 | 49% | 0.487 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -70.1 | -38.1 | 178.6 | -64.8 | -25.5 | 0 | 0 | 0 | 111.5 | L323 A329 K330 S331 | L323-D327 PolarHBondContact O-N 3.22Å; D327-A329 PolarHBondContact O-N 3.06Å; D327-K330 PolarHBondContact O-N 2.69Å; D327-S331 PolarHBondContact O-N 3.17Å; D327-S331 PolarHBondContact O-OG 3.14Å |
| 328 | A | 70.9 | Confident | 67.1 | Low | 67 Ų | 67 | 141.5 Ų | 141.5 | 55% | 0.554 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -63.2 | -38.1 | 171 | 0 | 0 | 0 | 0 | 0 | 112.6 | K324 S331 | K324-A328 WeakPolarHBondContact O-CB 3.33Å; K324-A328 PolarHBondContact O-N 3.13Å; A328-S331 PolarHBondContact O-N 3.45Å |
| 329 | A | 64.8 | Low | 66.2 | Low | 86 Ų | 86 | 143.2 Ų | 143.2 | 71% | 0.711 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -73.7 | -28.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R325 K326 D327 S331 | R325-A329 WeakPolarHBondContact O-CB 3.38Å; R325-A329 PolarHBondContact O-N 3.08Å; K326-A329 PolarHBondContact O-N 2.9Å; D327-A329 PolarHBondContact O-N 3.06Å; A329-S331 VanDerWaalsContact C-N 3.31Å |
| 330 | K | 61.2 | Low | 65.2 | Low | 174 Ų | 174 | 140.8 Ų | 140.8 | 76% | 0.757 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -81.5 | -7.8 | 175.1 | -78.4 | -174.8 | 176.3 | -176.6 | 0 | 113.9 | K326 D327 P332 | K326-K330 PolarHBondContact O-N 3.42Å; D327-K330 PolarHBondContact O-N 2.69Å; K330-P332 WeakPolarHBondContact O-CD 3.19Å |
| 331 | S | 51.9 | Low | 64.2 | Low | 82 Ų | 82 | 138.4 Ų | 138.4 | 57% | 0.573 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -83 | 102.1 | 175.5 | -58.2 | 0 | 0 | 0 | 0 | 108.6 | D327 A328 A329 K333 | D327-S331 PolarHBondContact O-N 3.17Å; D327-S331 PolarHBondContact O-OG 3.14Å; A328-S331 PolarHBondContact O-N 3.45Å; A329-S331 VanDerWaalsContact C-N 3.31Å; S331-K333 PolarHBondContact O-N 2.83Å |
| 332 | P | 52.7 | Low | 63.1 | Low | 118 Ų | 118 | 140.4 Ų | 140.4 | 77% | 0.766 | 72% | 0.716 | S | S | * | * | trans | -72 | 130.7 | 179.6 | -3.5 | 22.4 | 0 | 0 | 0 | 108.1 | K330 K334 | K330-P332 WeakPolarHBondContact O-CD 3.19Å; P332-K334 PolarHBondContact O-N 2.7Å | ||
| 333 | K | 49.7 | Very low | 61.9 | Low | 197 Ų | 197 | 146.9 Ų | 146.9 | 86% | 0.857 | 74% | 0.737 | S | S | * | * | trans | -44.9 | 112.7 | 169 | -72.5 | 176.2 | 174.2 | 177.9 | 0 | 109.2 | S331 K335 | S331-K333 PolarHBondContact O-N 2.83Å; K333-K335 VanDerWaalsContact C-N 3.33Å; K333-K335 PolarHBondContact O-N 3.04Å | ||
| 334 | K | 46.2 | Very low | 60.6 | Low | 206 Ų | 206 | 149.7 Ų | 149.7 | 90% | 0.896 | 75% | 0.75 | S | S | * | * | trans | -58.6 | 102 | 159 | -90.4 | -175.5 | 170.9 | -175.6 | 0 | 106.8 | P332 | P332-K334 PolarHBondContact O-N 2.7Š| ||
| 335 | K | 47 | Very low | 59.1 | Low | 193 Ų | 193 | 149.3 Ų | 149.3 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | trans | -92.2 | 105.3 | 154.6 | -88.9 | -173.2 | 172 | -174.4 | 0 | 105.5 | K333 | K333-K335 VanDerWaalsContact C-N 3.33Å; K333-K335 PolarHBondContact O-N 3.04Å | ||
| 336 | D | 40.6 | Very low | 57.5 | Low | 236 Ų | 236 | 145.5 Ų | 145.5 | 100% | 1.262 | 76% | 0.759 | S | S | * | * | trans | -132.8 | 0 | 144 | -81.1 | -39.1 | 0 | 0 | 0 | 106.1 |
Retrieved 336 of 336 residues in 59.3 ms
(Link to these results)