| 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 | 57.1 | Low | 50.5 | Low | 254 Ų | 254 | 151.4 Ų | 151.4 | 100% | 1.251 | 83% | 0.827 | S | S | * | * | 0 | 135 | 0 | -73.9 | -172.4 | -178.5 | 0 | 0 | 108.5 | |||||
| 2 | A | 48.2 | Very low | 50.1 | Low | 93 Ų | 93 | 145 Ų | 145 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -105.7 | 135 | -165.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 3 | L | 61 | Low | 50.2 | Low | 181 Ų | 181 | 145.5 Ų | 145.5 | 95% | 0.948 | 81% | 0.81 | S | S | * | * | trans | -154.1 | 99.5 | 158.4 | -77 | 167 | 0 | 0 | 0 | 104.9 | ||||
| 4 | K | 53.8 | Low | 50 | Low | 151 Ų | 151 | 146.2 Ų | 146.2 | 66% | 0.657 | 81% | 0.811 | S | S | * | * | cis | 90.7 | 98.2 | 40.5 | -156.8 | 163 | -174.1 | 171.7 | 0 | 114 | ||||
| 5 | R | 51.5 | Low | 50.3 | Low | 202 Ų | 202 | 147.1 Ų | 147.1 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | trans | 75.9 | 144.8 | 141.9 | -69.6 | 174.9 | -176.5 | 179.3 | -4.7 | 116.8 | ||||
| 6 | K | 53.6 | Low | 50 | Low | 190 Ų | 190 | 147.8 Ų | 147.8 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | cis | -165.9 | 129 | 28.3 | -119.5 | 168.5 | 174.9 | -168.5 | 0 | 107 | ||||
| 7 | A | 47.8 | Very low | 49.5 | Very low | 90 Ų | 90 | 146.9 Ų | 146.9 | 74% | 0.744 | 81% | 0.814 | S | S | * | * | 56.6 | 134.5 | 93.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 8 | C | 49.9 | Very low | 49.1 | Very low | 117 Ų | 117 | 146.5 Ų | 146.5 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | cis | -171.7 | -163.3 | -0.6 | -84.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 9 | P | 48.5 | Very low | 48.4 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | -135 | 173.5 | -76.5 | 42.3 | -24.4 | 0 | 0 | 0 | 115.6 | |||||
| 10 | S | 40.4 | Very low | 48.1 | Very low | 105 Ų | 105 | 143.5 Ų | 143.5 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | 10.8 | 137.6 | 152.7 | 64.1 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 11 | L | 43.2 | Very low | 48 | Very low | 170 Ų | 170 | 140.6 Ų | 140.6 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -155.3 | 120.7 | 134.4 | -114.9 | 153 | 0 | 0 | 0 | 110.3 | ||||
| 12 | A | 45.8 | Very low | 47.6 | Very low | 75 Ų | 75 | 136.2 Ų | 136.2 | 62% | 0.62 | 79% | 0.785 | S | S | * | * | trans | -80.8 | 160.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 13 | D | 51.8 | Low | 47.6 | Very low | 151 Ų | 151 | 138.2 Ų | 138.2 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | -171.4 | 113.3 | 139.5 | -87.2 | -30.8 | 0 | 0 | 0 | 110.2 | ||||
| 14 | D | 46.8 | Very low | 46.6 | Very low | 156 Ų | 156 | 140.1 Ų | 140.1 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -73.5 | 139.7 | 167.6 | -65 | -66.2 | 0 | 0 | 0 | 110.4 | ||||
| 15 | N | 55.5 | Low | 46.6 | Very low | 160 Ų | 160 | 136.9 Ų | 136.9 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | trans | -142.3 | 101.9 | 160.4 | -87.3 | -67 | 0 | 0 | 0 | 111 | ||||
| 16 | H | 45.9 | Very low | 46.4 | Very low | 158 Ų | 158 | 132.9 Ų | 132.9 | 73% | 0.731 | 80% | 0.795 | S | S | * | * | trans | -79.9 | 127.3 | 168.3 | -171.2 | -86.6 | 0 | 0 | 0 | 108.7 | ||||
| 17 | C | 41.3 | Very low | 45.9 | Very low | 132 Ų | 132 | 128.1 Ų | 128.1 | 89% | 0.892 | 79% | 0.791 | S | S | * | * | trans | -133.9 | 119.9 | 166.8 | -165.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 18 | L | 41.6 | Very low | 45.8 | Very low | 140 Ų | 140 | 128.2 Ų | 128.2 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | trans | -75.7 | 155.2 | -172.4 | -78.5 | 158.7 | 0 | 0 | 0 | 112.9 | ||||
| 19 | A | 35.3 | Very low | 45.8 | Very low | 91 Ų | 91 | 126.4 Ų | 126.4 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -58.7 | 147 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 20 | T | 42.8 | Very low | 45.8 | Very low | 141 Ų | 141 | 126 Ų | 126 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | trans | -159 | 126.9 | 137.6 | -24.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 21 | A | 45.9 | Very low | 45.7 | Very low | 84 Ų | 84 | 122.6 Ų | 122.6 | 69% | 0.694 | 76% | 0.762 | S | S | * | * | trans | 56.4 | 115.8 | 145.5 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 22 | N | 48.6 | Very low | 46.1 | Very low | 161 Ų | 161 | 117.7 Ų | 117.7 | 86% | 0.861 | 75% | 0.746 | S | S | * | * | trans | 47.9 | 108.2 | 131.4 | -77.2 | 23.5 | 0 | 0 | 0 | 121.9 | ||||
| 23 | C | 48.5 | Very low | 46.4 | Very low | 135 Ų | 135 | 118.9 Ų | 118.9 | 91% | 0.912 | 75% | 0.745 | S | S | * | * | -150.5 | 119.4 | 128.6 | 5.4 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 24 | F | 40.7 | Very low | 46.3 | Very low | 222 Ų | 222 | 112.9 Ų | 112.9 | 97% | 0.974 | 72% | 0.717 | S | S | * | * | trans | -88.3 | 113 | -178 | -162.6 | -95.3 | 0 | 0 | 0 | 109 | ||||
| 25 | A | 53.3 | Low | 46.4 | Very low | 83 Ų | 83 | 108.2 Ų | 108.2 | 69% | 0.686 | 70% | 0.7 | S | S | * | * | trans | -158.8 | 149.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | A27 | A25-A27 PolarHBondContact O-N 2.99Š| ||
| 26 | P | 46.4 | Very low | 46.4 | Very low | 117 Ų | 117 | 104.6 Ų | 104.6 | 76% | 0.76 | 68% | 0.684 | S | S | * | * | trans | -71.5 | 123.1 | -144.6 | 27.5 | -34.3 | 0 | 0 | 0 | 114.2 | A28 | P26-A28 VanDerWaalsContact C-N 3.28Å; P26-A28 PolarHBondContact O-N 2.83Å; P26-A28 VanDerWaalsContact O-N 3.1Å | ||
| 27 | A | 44 | Very low | 46.5 | Very low | 90 Ų | 90 | 102.9 Ų | 102.9 | 74% | 0.744 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | 10.7 | -167.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | A25 | A25-A27 PolarHBondContact O-N 2.99Š|
| 28 | A | 46.7 | Very low | 46.9 | Very low | 92 Ų | 92 | 106.3 Ų | 106.3 | 76% | 0.76 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -38 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | P26 | P26-A28 VanDerWaalsContact C-N 3.28Å; P26-A28 PolarHBondContact O-N 2.83Å; P26-A28 VanDerWaalsContact O-N 3.1Å |
| 29 | A | 49.5 | Very low | 47.3 | Very low | 80 Ų | 80 | 102.2 Ų | 102.2 | 66% | 0.661 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -28.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 30 | V | 48.1 | Very low | 48.2 | Very low | 102 Ų | 102 | 107.3 Ų | 107.3 | 62% | 0.618 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -79.3 | -22.1 | -178.9 | -162.2 | 0 | 0 | 0 | 0 | 111.7 | A32 V33 A34 | V30-A32 VanDerWaalsContact C-N 3.29Å; V30-A32 PolarHBondContact O-N 3.22Å; V30-V33 PolarHBondContact O-N 3.49Å; V30-A34 VanDerWaalsContact O-CB 3.25Å; V30-A34 WeakPolarHBondContact O-CB 3.13Å; V30-A34 PolarHBondContact O-N 3.33Å |
| 31 | G | 39.2 | Very low | 49.4 | Very low | 34 Ų | 34 | 109.8 Ų | 109.8 | 35% | 0.351 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -61.7 | -32.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | A35 | G31-A35 WeakPolarHBondContact O-CB 3.17Å; G31-A35 PolarHBondContact O-N 2.66Å |
| 32 | A | 50.9 | Low | 51.3 | Low | 67 Ų | 67 | 114.7 Ų | 114.7 | 55% | 0.554 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -72.1 | -42.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V30 A35 V36 | V30-A32 VanDerWaalsContact C-N 3.29Å; V30-A32 PolarHBondContact O-N 3.22Å; A32-A35 PolarHBondContact O-N 3.47Å; A32-V36 WeakPolarHBondContact O-CG2 3.1Å; A32-V36 PolarHBondContact O-N 3.4Å |
| 33 | V | 51.1 | Low | 53.4 | Low | 100 Ų | 100 | 109.8 Ų | 109.8 | 61% | 0.606 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -74.1 | -31.1 | 177.4 | -139.6 | 0 | 0 | 0 | 0 | 111.2 | V30 V36 Q37 | V30-V33 PolarHBondContact O-N 3.49Å; V33-V36 WeakPolarHBondContact O-CB 3.24Å; V33-V36 PolarHBondContact O-N 2.8Å; V33-Q37 PolarHBondContact O-N 3.48Å |
| 34 | A | 49.7 | Very low | 55.4 | Low | 25 Ų | 25 | 106.6 Ų | 106.6 | 21% | 0.207 | 60% | 0.603 | C | S | . | * | H | α-helix | trans | -77.4 | -24.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V30 V36 Q37 R38 | V30-A34 VanDerWaalsContact O-CB 3.25Å; V30-A34 WeakPolarHBondContact O-CB 3.13Å; V30-A34 PolarHBondContact O-N 3.33Å; A34-V36 VanDerWaalsContact C-N 3.31Å; A34-Q37 PolarHBondContact O-N 3.03Å; A34-R38 WeakPolarHBondContact O-CB 3.4Å; A34-R38 WeakPolarHBondContact O-CG 3.39Å; A34-R38 PolarHBondContact O-N 3.41Å |
| 35 | A | 50.5 | Low | 57.9 | Low | 59 Ų | 59 | 97.2 Ų | 97.2 | 49% | 0.488 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.5 | -34.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | G31 A32 Q37 R38 A39 | G31-A35 WeakPolarHBondContact O-CB 3.17Å; G31-A35 PolarHBondContact O-N 2.66Å; A32-A35 PolarHBondContact O-N 3.47Å; A35-Q37 VanDerWaalsContact C-N 3.33Å; A35-R38 PolarHBondContact O-N 3.4Å; A35-A39 PolarHBondContact O-N 2.83Å |
| 36 | V | 54 | Low | 59.9 | Low | 84 Ų | 84 | 93.7 Ų | 93.7 | 51% | 0.509 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66 | -32.4 | 173.9 | 171.1 | 0 | 0 | 0 | 0 | 112 | A32 V33 A34 | A32-V36 WeakPolarHBondContact O-CG2 3.1Å; A32-V36 PolarHBondContact O-N 3.4Å; V33-V36 WeakPolarHBondContact O-CB 3.24Å; V33-V36 PolarHBondContact O-N 2.8Å; A34-V36 VanDerWaalsContact C-N 3.31Å |
| 37 | Q | 49.5 | Very low | 62.2 | Low | 122 Ų | 122 | 92.4 Ų | 92.4 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -94.5 | -17.9 | 174.5 | -65.4 | -148.4 | -24.4 | 0 | 0 | 115.1 | V33 A34 A35 A39 R40 | V33-Q37 PolarHBondContact O-N 3.48Å; A34-Q37 PolarHBondContact O-N 3.03Å; A35-Q37 VanDerWaalsContact C-N 3.33Å; Q37-A39 VanDerWaalsContact C-N 3.26Å; Q37-A39 PolarHBondContact O-N 2.96Å; Q37-R40 WeakPolarHBondContact O-CB 3.48Å; Q37-R40 VanDerWaalsContact O-CD 3.24Å; Q37-R40 WeakPolarHBondContact O-CD 3.47Å; Q37-R40 WeakPolarHBondContact O-CG 3.25Å |
| 38 | R | 48.3 | Very low | 64.6 | Low | 203 Ų | 203 | 94 Ų | 94 | 77% | 0.766 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -76.4 | -13.3 | 173.4 | -77.9 | 172.6 | 176.9 | 127.1 | 0.1 | 112.8 | A34 A35 R40 | A34-R38 WeakPolarHBondContact O-CB 3.4Å; A34-R38 WeakPolarHBondContact O-CG 3.39Å; A34-R38 PolarHBondContact O-N 3.41Å; A35-R38 PolarHBondContact O-N 3.4Å; R38-R40 VanDerWaalsContact C-N 3.25Å; R38-R40 PolarHBondContact O-N 3.06Å |
| 39 | A | 50 | Low | 66.8 | Low | 54 Ų | 54 | 96.2 Ų | 96.2 | 45% | 0.446 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 25.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | A35 Q37 K41 R42 | A35-A39 PolarHBondContact O-N 2.83Å; Q37-A39 VanDerWaalsContact C-N 3.26Å; Q37-A39 PolarHBondContact O-N 2.96Å; A39-K41 PolarHBondContact O-N 2.92Å; A39-R42 PolarHBondContact O-N 3.34Å |
| 40 | R | 54.7 | Low | 68.9 | Low | 199 Ų | 199 | 99.1 Ų | 99.1 | 75% | 0.751 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 16.6 | -171.2 | -104.9 | 170.1 | 170.1 | -148.5 | -5.7 | 118.1 | Q37 R38 | Q37-R40 WeakPolarHBondContact O-CB 3.48Å; Q37-R40 VanDerWaalsContact O-CD 3.24Å; Q37-R40 WeakPolarHBondContact O-CD 3.47Å; Q37-R40 WeakPolarHBondContact O-CG 3.25Å; R38-R40 VanDerWaalsContact C-N 3.25Å; R38-R40 PolarHBondContact O-N 3.06Å |
| 41 | K | 68.3 | Low | 71 | Confident | 192 Ų | 192 | 98.4 Ų | 98.4 | 84% | 0.835 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.7 | -7.3 | 166.9 | -79.7 | 113.2 | 178.8 | -162.7 | 0 | 115.8 | A39 | A39-K41 PolarHBondContact O-N 2.92Š|
| 42 | R | 86.3 | Confident | 73.5 | Confident | 188 Ų | 188 | 98.5 Ų | 98.5 | 71% | 0.709 | 51% | 0.512 | S | S | * | . | trans | -145.5 | 125.9 | -170.9 | -62 | 178.7 | 67.8 | -161.5 | 0.3 | 113.3 | A39 | A39-R42 PolarHBondContact O-N 3.34Š| ||
| 43 | F | 91.6 | Very high | 75.6 | Confident | 57 Ų | 57 | 100.1 Ų | 100.1 | 25% | 0.25 | 50% | 0.504 | C | S | . | . | trans | -85.4 | 150.3 | 174.8 | -58.8 | -80.2 | 0 | 0 | 0 | 112 | V46 A75 E76 A79 N97 F98 | F43-V46 HydrophobicContact CB-CB 3.98Å; F43-V46 HydrophobicContact CB-CG2 3.87Å; F43-V46 PolarHBondContact O-N 3.43Å; F43-A75 HydrophobicContact CD2-CB 3.78Å; F43-A75 HydrophobicContact CE2-CB 3.59Å; F43-E76 HydrophobicContact CE2-CG 4.32Å; F43-E76 HydrophobicContact CZ-CG 4.06Å; F43-A79 HydrophobicContact CB-CB 3.61Å; F43-A79 HydrophobicContact CD1-CB 3.76Å; F43-A79 HydrophobicContact CD2-CB 4.11Å; F43-A79 HydrophobicContact CE1-CB 4.44Å; F43-A79 HydrophobicContact CG-CB 3.56Å; F43-N97 HydrophobicContact CD1-CB 4.22Å; F43-F98 HydrophobicContact CD1-CZ 4.38Å; F43-F98 HydrophobicContact CE1-CE1 4Å; F43-F98 AromaticContact CE1-CZ 3.93Å; F43-F98 HydrophobicContact CE1-CZ 3.93Å; F43-F98 HydrophobicContact CZ-CZ 4.41Å | ||
| 44 | V | 91.6 | Very high | 77.7 | Confident | 68 Ų | 68 | 97.7 Ų | 97.7 | 41% | 0.412 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 134.5 | 175.6 | -176.6 | 0 | 0 | 0 | 0 | 109.6 | V46 Y82 N97 | V44-V46 PolarHBondContact O-N 3.35Å; V44-Y82 HydrophobicContact CB-CE1 4.36Å; V44-Y82 HydrophobicContact CG1-CE1 3.9Å; V44-N97 WeakPolarHBondContact CA-OD1 3.23Å; V44-N97 WeakPolarHBondContact CB-OD1 3.35Å; V44-N97 WeakPolarHBondContact CG2-OD1 3.38Å; V44-N97 PolarHBondContact N-OD1 2.91Å; V44-N97 PolarHBondContact O-ND2 3.21Å |
| 45 | G | 92.2 | Very high | 79.9 | Confident | 26 Ų | 26 | 96.6 Ų | 96.6 | 27% | 0.268 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | -0.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | A56 E57 | G45-A56 WeakPolarHBondContact O-CA 3.36Å; G45-E57 PolarHBondContact O-N 3.35Å |
| 46 | V | 94.7 | Very high | 82 | Confident | 9 Ų | 9 | 93.8 Ų | 93.8 | 6% | 0.055 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 129.4 | -177.1 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | F43 V44 W54 V55 A78 A79 | F43-V46 HydrophobicContact CB-CB 3.98Å; F43-V46 HydrophobicContact CB-CG2 3.87Å; F43-V46 PolarHBondContact O-N 3.43Å; V44-V46 PolarHBondContact O-N 3.35Å; V46-W54 HydrophobicContact CG1-CB 4.32Å; V46-W54 HydrophobicContact CG1-CD2 4.35Å; V46-W54 HydrophobicContact CG1-CE3 3.51Å; V46-W54 HydrophobicContact CG1-CZ3 4.17Å; V46-V55 WeakPolarHBondContact CA-O 3.42Å; V46-A78 HydrophobicContact CB-CB 4.37Å; V46-A78 HydrophobicContact CG1-CB 3.74Å; V46-A78 HydrophobicContact CG2-CB 3.71Å; V46-A79 HydrophobicContact CG2-CB 4.02Å |
| 47 | R | 94.6 | Very high | 84 | Confident | 90 Ų | 90 | 94 Ų | 94 | 34% | 0.34 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 148.2 | 174.5 | 62.6 | -177.7 | 171.4 | 85 | -3 | 111.5 | V55 E57 | R47-V55 HydrophobicContact CG-CB 3.93Å; R47-V55 PolarHBondContact N-O 2.97Å; R47-V55 PolarHBondContact O-N 3.42Å; R47-E57 IonicContact CZ-OE2 3.96Å; R47-E57 IonicContact NE-OE2 3.07Å; R47-E57 PolarHBondContact NE-OE2 2.77Å; R47-E57 IonicContact NH2-OE2 3.99Å; R47-E57 PolarHBondContact NH2-OE2 2.74Å |
| 48 | Q | 94.4 | Very high | 86.1 | Confident | 122 Ų | 122 | 88.7 Ų | 88.7 | 57% | 0.57 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 129.2 | 176.2 | -162.5 | 176.4 | 23.3 | 0 | 0 | 110.1 | W54 | Q48-W54 HydrophobicContact CB-CE3 3.99Å; Q48-W54 HydrophobicContact CB-CH2 4.3Å; Q48-W54 HydrophobicContact CB-CZ3 3.91Å; Q48-W54 HydrophobicContact CG-CD2 4.4Å; Q48-W54 HydrophobicContact CG-CE3 4.35Å; Q48-W54 HydrophobicContact CG-CH2 4.41Å; Q48-W54 HydrophobicContact CG-CZ2 4.38Å; Q48-W54 HydrophobicContact CG-CZ3 4.39Å |
| 49 | R | 93.4 | Very high | 88.3 | Confident | 139 Ų | 139 | 85.1 Ų | 85.1 | 53% | 0.525 | 41% | 0.413 | S | S | . | . | trans | -85.2 | 152.9 | 171.3 | -173.5 | 176.9 | -82.6 | -93 | 3.3 | 109.1 | S51 G52 R53 | R49-S51 PolarHBondContact O-N 3.1Å; R49-G52 PolarHBondContact O-N 3.34Å; R49-R53 PolarHBondContact N-O 2.95Å | ||
| 50 | P | 94.4 | Very high | 90.2 | Very high | 141 Ų | 141 | 82.9 Ų | 82.9 | 92% | 0.916 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -19.7 | 171.4 | 19.6 | -35 | 0 | 0 | 0 | 114.5 | G52 | P50-G52 PolarHBondContact O-N 2.93Š|
| 51 | S | 91.4 | Very high | 91.9 | Very high | 87 Ų | 87 | 78.2 Ų | 78.2 | 61% | 0.608 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -12.9 | 170 | 177.5 | 0 | 0 | 0 | 0 | 114.1 | R49 R53 | R49-S51 PolarHBondContact O-N 3.1Å; S51-R53 VanDerWaalsContact C-N 3.33Å; S51-R53 PolarHBondContact O-N 3.42Å |
| 52 | G | 92.3 | Very high | 92.7 | Very high | 36 Ų | 36 | 75.5 Ų | 75.5 | 37% | 0.371 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 90.7 | -20.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R49 P50 | R49-G52 PolarHBondContact O-N 3.34Å; P50-G52 PolarHBondContact O-N 2.93Å |
| 53 | R | 94.6 | Very high | 92.7 | Very high | 102 Ų | 102 | 69 Ų | 69 | 39% | 0.385 | 36% | 0.357 | S | S | . | . | trans | -70.8 | 147.2 | 178.5 | -56.1 | -163.8 | 77.8 | -169.2 | 3.3 | 112.7 | R49 S51 T71 D73 | R49-R53 PolarHBondContact N-O 2.95Å; S51-R53 VanDerWaalsContact C-N 3.33Å; S51-R53 PolarHBondContact O-N 3.42Å; R53-T71 PolarHBondContact NH1-OG1 3.33Å; R53-D73 IonicContact CZ-OD1 3.41Å; R53-D73 IonicContact NE-OD1 2.95Å; R53-D73 PolarHBondContact NE-OD1 3.25Å; R53-D73 IonicContact NH2-OD1 2.93Å; R53-D73 PolarHBondContact NH2-OD1 2.85Å | ||
| 54 | W | 95.5 | Very high | 92.6 | Very high | 48 Ų | 48 | 75.4 Ų | 75.4 | 18% | 0.182 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 139.3 | 176.6 | -60.9 | 90.4 | 0 | 0 | 0 | 110 | V46 Q48 T71 F72 D73 T74 A75 A78 | V46-W54 HydrophobicContact CG1-CB 4.32Å; V46-W54 HydrophobicContact CG1-CD2 4.35Å; V46-W54 HydrophobicContact CG1-CE3 3.51Å; V46-W54 HydrophobicContact CG1-CZ3 4.17Å; Q48-W54 HydrophobicContact CB-CE3 3.99Å; Q48-W54 HydrophobicContact CB-CH2 4.3Å; Q48-W54 HydrophobicContact CB-CZ3 3.91Å; Q48-W54 HydrophobicContact CG-CD2 4.4Å; Q48-W54 HydrophobicContact CG-CE3 4.35Å; Q48-W54 HydrophobicContact CG-CH2 4.41Å; Q48-W54 HydrophobicContact CG-CZ2 4.38Å; Q48-W54 HydrophobicContact CG-CZ3 4.39Å; W54-T71 CarbonylContact O-C 3.45Å; W54-T71 VanDerWaalsContact O-CA 3.23Å; W54-T71 WeakPolarHBondContact O-CA 3.44Å; W54-F72 WeakPolarHBondContact CB-O 3.21Å; W54-F72 PolarHBondContact N-O 3.2Å; W54-F72 PolarHBondContact O-N 3.19Å; W54-D73 VanDerWaalsContact CD1-O 3.31Å; W54-T74 VanDerWaalsContact CD1-C 3.44Å; W54-A75 HydrophobicContact CD2-CB 3.67Å; W54-A75 HydrophobicContact CE3-CB 3.87Å; W54-A75 HydrophobicContact CG-CB 4.31Å; W54-A75 HydrophobicContact CH2-CB 3.79Å; W54-A75 HydrophobicContact CZ2-CB 3.64Å; W54-A75 HydrophobicContact CZ3-CB 3.9Å; W54-A78 HydrophobicContact CB-CB 3.98Å |
| 55 | V | 95 | Very high | 92.6 | Very high | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.012 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 131.7 | 179.8 | -173.2 | 0 | 0 | 0 | 0 | 108.6 | V46 R47 T71 | V46-V55 WeakPolarHBondContact CA-O 3.42Å; R47-V55 HydrophobicContact CG-CB 3.93Å; R47-V55 PolarHBondContact N-O 2.97Å; R47-V55 PolarHBondContact O-N 3.42Å; V55-T71 HydrophobicContact CG1-CG2 4.42Å; V55-T71 HydrophobicContact CG2-CG2 3.87Å |
| 56 | A | 95.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 81.4 Ų | 81.4 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 136.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | G45 L69 G70 F72 A78 | G45-A56 WeakPolarHBondContact O-CA 3.36Å; A56-L69 HydrophobicContact CB-CB 4.12Å; A56-L69 HydrophobicContact CB-CD1 4.14Å; A56-L69 WeakPolarHBondContact O-CB 3.38Å; A56-L69 PolarHBondContact O-N 3.41Å; A56-G70 PolarHBondContact N-O 2.99Å; A56-G70 VanDerWaalsContact N-O 3.08Å; A56-G70 PolarHBondContact O-N 2.89Å; A56-F72 HydrophobicContact CB-CD2 4.16Å; A56-F72 HydrophobicContact CB-CE2 3.78Å; A56-A78 HydrophobicContact CB-CB 4.24Å; A56-A78 WeakPolarHBondContact CB-O 2.98Å |
| 57 | E | 95 | Very high | 92.7 | Very high | 89 Ų | 89 | 81.5 Ų | 81.5 | 42% | 0.416 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 143.7 | 177 | 59.5 | -169.3 | -136.1 | 0 | 0 | 109.7 | G45 R47 V67 Y82 | G45-E57 PolarHBondContact O-N 3.35Å; R47-E57 IonicContact CZ-OE2 3.96Å; R47-E57 IonicContact NE-OE2 3.07Å; R47-E57 PolarHBondContact NE-OE2 2.77Å; R47-E57 IonicContact NH2-OE2 3.99Å; R47-E57 PolarHBondContact NH2-OE2 2.74Å; E57-V67 WeakPolarHBondContact CA-O 3.25Å; E57-Y82 WeakPolarHBondContact O-CD2 3.13Å; E57-Y82 VanDerWaalsContact O-CE2 3.31Å; E57-Y82 WeakPolarHBondContact O-CE2 2.76Å |
| 58 | I | 94.4 | Very high | 92.7 | Very high | 11 Ų | 11 | 84.9 Ų | 84.9 | 6% | 0.056 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 133.8 | 177.4 | -170.6 | 154.3 | 0 | 0 | 0 | 110.6 | R66 V67 L69 Y82 A85 A86 L89 L136 | I58-R66 WeakPolarHBondContact O-CA 3.45Å; I58-V67 HydrophobicContact CG2-CB 3.8Å; I58-V67 PolarHBondContact N-O 3.24Å; I58-V67 PolarHBondContact O-N 3.27Å; I58-L69 HydrophobicContact CB-CD1 4.27Å; I58-L69 HydrophobicContact CG2-CD1 4.41Å; I58-L69 HydrophobicContact CG2-CD2 3.81Å; I58-L69 HydrophobicContact CG2-CG 4.23Å; I58-Y82 HydrophobicContact CB-CD2 4.34Å; I58-Y82 HydrophobicContact CB-CE2 4.06Å; I58-Y82 HydrophobicContact CD1-CE2 4.31Å; I58-Y82 HydrophobicContact CG1-CE2 4.06Å; I58-A85 HydrophobicContact CD1-CB 4.11Å; I58-A85 HydrophobicContact CG2-CB 4.44Å; I58-A86 HydrophobicContact CD1-CB 3.9Å; I58-L89 HydrophobicContact CD1-CD1 3.81Å; I58-L89 HydrophobicContact CG1-CD1 4.04Å; I58-L89 HydrophobicContact CG2-CD1 3.92Å; I58-L136 HydrophobicContact CG2-CD2 4.31Å |
| 59 | K | 94.6 | Very high | 92.7 | Very high | 128 Ų | 128 | 79.2 Ų | 79.2 | 56% | 0.557 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 120.3 | 175.3 | 177.6 | -178.5 | 176.6 | -171.5 | 0 | 108.1 | R66 | K59-R66 HydrophobicContact CG-CG 4.21Å |
| 60 | D | 90.1 | Very high | 92.8 | Very high | 7 Ų | 7 | 73.1 Ų | 73.1 | 4% | 0.037 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 121.2 | 173.1 | -167.9 | 27.3 | 0 | 0 | 0 | 110.4 | Q63 K64 I65 R90 | D60-Q63 VanDerWaalsContact OD2-CG 3.3Å; D60-Q63 WeakPolarHBondContact OD2-CG 3.49Å; D60-Q63 PolarHBondContact OD2-N 3.02Å; D60-K64 WeakPolarHBondContact O-CA 3.37Å; D60-K64 PolarHBondContact O-N 3.32Å; D60-K64 VanDerWaalsContact O-N 3.08Å; D60-I65 HydrophobicContact CB-CD1 4.37Å; D60-I65 HydrophobicContact CB-CG1 3.81Å; D60-I65 PolarHBondContact N-O 2.9Å; D60-I65 PolarHBondContact O-N 3.25Å; D60-I65 VanDerWaalsContact O-N 3.11Å; D60-R90 IonicContact OD1-CZ 2.88Å; D60-R90 IonicContact OD1-NE 3.56Å; D60-R90 IonicContact OD1-NH2 3.31Å; D60-R90 PolarHBondContact OD1-NH2 3.29Å |
| 61 | T | 89.4 | Confident | 92.8 | Very high | 101 Ų | 101 | 68.8 Ų | 68.8 | 62% | 0.62 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -29.2 | -177.8 | 51.4 | 0 | 0 | 0 | 0 | 112 | ||
| 62 | I | 86.3 | Confident | 93 | Very high | 135 Ų | 135 | 65.4 Ų | 65.4 | 69% | 0.692 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -51 | -179.4 | -58.2 | 173.3 | 0 | 0 | 0 | 109.3 | K64 | I62-K64 VanDerWaalsContact C-N 3.3Å; I62-K64 PolarHBondContact O-N 3.34Å |
| 63 | Q | 85.2 | Confident | 93.1 | Very high | 50 Ų | 50 | 69 Ų | 69 | 23% | 0.234 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -4.4 | 178.7 | -62.3 | -180 | 28.8 | 0 | 0 | 113.5 | D60 I65 L89 A143 | D60-Q63 VanDerWaalsContact OD2-CG 3.3Å; D60-Q63 WeakPolarHBondContact OD2-CG 3.49Å; D60-Q63 PolarHBondContact OD2-N 3.02Å; Q63-I65 HydrophobicContact CB-CD1 4.25Å; Q63-I65 HydrophobicContact CB-CG1 4.02Å; Q63-I65 HydrophobicContact CB-CG2 4.05Å; Q63-I65 WeakPolarHBondContact O-CG2 3.48Å; Q63-I65 PolarHBondContact O-N 3.15Å; Q63-L89 PolarHBondContact NE2-O 3Å; Q63-A143 HydrophobicContact CG-CB 4.26Å |
| 64 | K | 90.7 | Very high | 93 | Very high | 193 Ų | 193 | 66.9 Ų | 66.9 | 84% | 0.839 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 36.6 | -172.7 | -59.9 | -179.7 | -179.2 | 177.7 | 0 | 113.1 | D60 I62 | D60-K64 WeakPolarHBondContact O-CA 3.37Å; D60-K64 PolarHBondContact O-N 3.32Å; D60-K64 VanDerWaalsContact O-N 3.08Å; I62-K64 VanDerWaalsContact C-N 3.3Å; I62-K64 PolarHBondContact O-N 3.34Å |
| 65 | I | 90.9 | Very high | 92.9 | Very high | 18 Ų | 18 | 65 Ų | 65 | 9% | 0.092 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 147.8 | -179.7 | 63.8 | 174.4 | 0 | 0 | 0 | 111.9 | D60 Q63 L89 H139 | D60-I65 HydrophobicContact CB-CD1 4.37Å; D60-I65 HydrophobicContact CB-CG1 3.81Å; D60-I65 PolarHBondContact N-O 2.9Å; D60-I65 PolarHBondContact O-N 3.25Å; D60-I65 VanDerWaalsContact O-N 3.11Å; Q63-I65 HydrophobicContact CB-CD1 4.25Å; Q63-I65 HydrophobicContact CB-CG1 4.02Å; Q63-I65 HydrophobicContact CB-CG2 4.05Å; Q63-I65 WeakPolarHBondContact O-CG2 3.48Å; Q63-I65 PolarHBondContact O-N 3.15Å; I65-L89 HydrophobicContact CD1-CD1 3.61Å; I65-L89 HydrophobicContact CD1-CD2 3.48Å; I65-L89 VanDerWaalsContact CD1-CD2 3.48Å; I65-L89 HydrophobicContact CD1-CG 4.17Å; I65-H139 HydrophobicContact CD1-CB 4.2Å |
| 66 | R | 94.6 | Very high | 92.8 | Very high | 202 Ų | 202 | 69 Ų | 69 | 76% | 0.762 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 122.4 | 168.4 | -63.1 | -176 | -172.4 | -171.3 | 4.2 | 107.6 | I58 K59 | I58-R66 WeakPolarHBondContact O-CA 3.45Å; K59-R66 HydrophobicContact CG-CG 4.21Å |
| 67 | V | 94.5 | Very high | 92.7 | Very high | 10 Ų | 10 | 72.1 Ų | 72.1 | 6% | 0.061 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 125.5 | -178.9 | -177.1 | 0 | 0 | 0 | 0 | 108.6 | E57 I58 L69 V132 L135 L136 | E57-V67 WeakPolarHBondContact CA-O 3.25Å; I58-V67 HydrophobicContact CG2-CB 3.8Å; I58-V67 PolarHBondContact N-O 3.24Å; I58-V67 PolarHBondContact O-N 3.27Å; V67-L69 HydrophobicContact CG1-CD2 4.26Å; V67-V132 HydrophobicContact CG1-CG1 4.17Å; V67-L135 HydrophobicContact CG1-CD2 4Å; V67-L135 HydrophobicContact CG2-CD2 4.46Å; V67-L136 HydrophobicContact CB-CD2 4.17Å; V67-L136 HydrophobicContact CG1-CD2 4.09Å; V67-L136 HydrophobicContact CG2-CD2 4.02Å |
| 68 | W | 94.1 | Very high | 92.7 | Very high | 162 Ų | 162 | 67.9 Ų | 67.9 | 61% | 0.614 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 120.9 | 170.2 | 177.3 | 46.7 | 0 | 0 | 0 | 108.7 | G70 T71 | W68-G70 PolarHBondContact NE1-O 3.26Å; W68-T71 HydrophobicContact CZ2-CG2 3.93Å |
| 69 | L | 95 | Very high | 92.7 | Very high | 2 Ų | 2 | 67.4 Ų | 67.4 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -34.6 | -173.5 | -58.7 | 177 | 0 | 0 | 0 | 112 | A56 I58 V67 Y82 A85 L128 V132 L136 | A56-L69 HydrophobicContact CB-CB 4.12Å; A56-L69 HydrophobicContact CB-CD1 4.14Å; A56-L69 WeakPolarHBondContact O-CB 3.38Å; A56-L69 PolarHBondContact O-N 3.41Å; I58-L69 HydrophobicContact CB-CD1 4.27Å; I58-L69 HydrophobicContact CG2-CD1 4.41Å; I58-L69 HydrophobicContact CG2-CD2 3.81Å; I58-L69 HydrophobicContact CG2-CG 4.23Å; V67-L69 HydrophobicContact CG1-CD2 4.26Å; L69-Y82 HydrophobicContact CD1-CD2 4.21Å; L69-A85 HydrophobicContact CD1-CB 3.68Å; L69-A85 HydrophobicContact CD2-CB 3.53Å; L69-A85 HydrophobicContact CG-CB 4.27Å; L69-L128 HydrophobicContact CB-CD2 4.01Å; L69-L128 HydrophobicContact CD1-CD2 4.41Å; L69-L128 HydrophobicContact CD2-CD2 3.96Å; L69-L128 HydrophobicContact CG-CD2 4.35Å; L69-V132 HydrophobicContact CD2-CG1 3.7Å; L69-L136 HydrophobicContact CD2-CD1 4.26Å |
| 70 | G | 94.9 | Very high | 92.7 | Very high | 11 Ų | 11 | 66.7 Ų | 66.7 | 11% | 0.113 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 152.3 | -174.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A56 W68 | A56-G70 PolarHBondContact N-O 2.99Å; A56-G70 VanDerWaalsContact N-O 3.08Å; A56-G70 PolarHBondContact O-N 2.89Å; W68-G70 PolarHBondContact NE1-O 3.26Å |
| 71 | T | 95.6 | Very high | 92.9 | Very high | 51 Ų | 51 | 66.3 Ų | 66.3 | 31% | 0.313 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 132.1 | 168.7 | 58.3 | 0 | 0 | 0 | 0 | 109.1 | R53 W54 V55 W68 | R53-T71 PolarHBondContact NH1-OG1 3.33Å; W54-T71 CarbonylContact O-C 3.45Å; W54-T71 VanDerWaalsContact O-CA 3.23Å; W54-T71 WeakPolarHBondContact O-CA 3.44Å; V55-T71 HydrophobicContact CG1-CG2 4.42Å; V55-T71 HydrophobicContact CG2-CG2 3.87Å; W68-T71 HydrophobicContact CZ2-CG2 3.93Å |
| 72 | F | 94.5 | Very high | 93.2 | Very high | 15 Ų | 15 | 63.2 Ų | 63.2 | 7% | 0.066 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 157.8 | -175.7 | -55.2 | -85 | 0 | 0 | 0 | 110 | W54 A56 E77 A78 A81 A127 | W54-F72 WeakPolarHBondContact CB-O 3.21Å; W54-F72 PolarHBondContact N-O 3.2Å; W54-F72 PolarHBondContact O-N 3.19Å; A56-F72 HydrophobicContact CB-CD2 4.16Å; A56-F72 HydrophobicContact CB-CE2 3.78Å; F72-E77 HydrophobicContact CB-CB 4.34Å; F72-E77 HydrophobicContact CB-CG 4.3Å; F72-E77 HydrophobicContact CD1-CB 4.48Å; F72-E77 HydrophobicContact CD1-CG 3.64Å; F72-E77 HydrophobicContact CE1-CG 4.35Å; F72-E77 HydrophobicContact CG-CG 4.22Å; F72-A78 HydrophobicContact CB-CB 3.99Å; F72-A78 VanDerWaalsContact CD2-CA 3.44Å; F72-A78 HydrophobicContact CD2-CB 3.65Å; F72-A78 HydrophobicContact CG-CB 4.08Å; F72-A81 HydrophobicContact CE1-CB 3.96Å; F72-A81 HydrophobicContact CE2-CB 3.66Å; F72-A81 HydrophobicContact CZ-CB 3.29Å; F72-A127 VanDerWaalsContact CE1-O 3.25Å; F72-A127 WeakPolarHBondContact CE1-O 3.47Å |
| 73 | D | 93.8 | Very high | 93.5 | Very high | 113 Ų | 113 | 57.4 Ų | 57.4 | 60% | 0.604 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -87.5 | -23.7 | -176.9 | -59.7 | -28.7 | 0 | 0 | 0 | 111.4 | R53 W54 | R53-D73 IonicContact CZ-OD1 3.41Å; R53-D73 IonicContact NE-OD1 2.95Å; R53-D73 PolarHBondContact NE-OD1 3.25Å; R53-D73 IonicContact NH2-OD1 2.93Å; R53-D73 PolarHBondContact NH2-OD1 2.85Å; W54-D73 VanDerWaalsContact CD1-O 3.31Å |
| 74 | T | 94.1 | Very high | 93.9 | Very high | 57 Ų | 57 | 58 Ų | 58 | 35% | 0.35 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -114.1 | 151.9 | 175.7 | 67.7 | 0 | 0 | 0 | 0 | 112.4 | W54 E76 E77 A78 | W54-T74 VanDerWaalsContact CD1-C 3.44Å; T74-E76 VanDerWaalsContact C-N 3.29Å; T74-E77 WeakPolarHBondContact OG1-CB 3.4Å; T74-E77 PolarHBondContact OG1-N 3.08Å; T74-E77 VanDerWaalsContact OG1-N 3.15Å; T74-A78 PolarHBondContact O-N 3.42Å |
| 75 | A | 93.2 | Very high | 94.1 | Very high | 7 Ų | 7 | 48.8 Ų | 48.8 | 6% | 0.058 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.5 | -35.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F43 W54 A79 | F43-A75 HydrophobicContact CD2-CB 3.78Å; F43-A75 HydrophobicContact CE2-CB 3.59Å; W54-A75 HydrophobicContact CD2-CB 3.67Å; W54-A75 HydrophobicContact CE3-CB 3.87Å; W54-A75 HydrophobicContact CG-CB 4.31Å; W54-A75 HydrophobicContact CH2-CB 3.79Å; W54-A75 HydrophobicContact CZ2-CB 3.64Å; W54-A75 HydrophobicContact CZ3-CB 3.9Å; A75-A79 WeakPolarHBondContact O-CB 3.45Å; A75-A79 PolarHBondContact O-N 3.49Å |
| 76 | E | 93.1 | Very high | 94.1 | Very high | 88 Ų | 88 | 48.1 Ų | 48.1 | 41% | 0.411 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -71.4 | -41 | -177.1 | -62.3 | 69.9 | -155.8 | 0 | 0 | 111.3 | F43 T74 A79 R80 F98 | F43-E76 HydrophobicContact CE2-CG 4.32Å; F43-E76 HydrophobicContact CZ-CG 4.06Å; T74-E76 VanDerWaalsContact C-N 3.29Å; E76-A79 PolarHBondContact O-N 2.97Å; E76-R80 WeakPolarHBondContact O-CG 3.31Å; E76-R80 PolarHBondContact O-N 3.28Å; E76-F98 HydrophobicContact CB-CZ 4.18Å; E76-F98 WeakPolarHBondContact O-CE2 3.44Å |
| 77 | E | 93.8 | Very high | 94 | Very high | 65 Ų | 65 | 39.5 Ų | 39.5 | 30% | 0.304 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -66.1 | -43.6 | 174.5 | -174.3 | -175.6 | -170.3 | 0 | 0 | 111.7 | F72 T74 A79 R80 A81 | F72-E77 HydrophobicContact CB-CB 4.34Å; F72-E77 HydrophobicContact CB-CG 4.3Å; F72-E77 HydrophobicContact CD1-CB 4.48Å; F72-E77 HydrophobicContact CD1-CG 3.64Å; F72-E77 HydrophobicContact CE1-CG 4.35Å; F72-E77 HydrophobicContact CG-CG 4.22Å; T74-E77 WeakPolarHBondContact OG1-CB 3.4Å; T74-E77 PolarHBondContact OG1-N 3.08Å; T74-E77 VanDerWaalsContact OG1-N 3.15Å; E77-A79 PolarHBondContact O-N 3.14Å; E77-R80 PolarHBondContact O-N 2.85Å; E77-R80 VanDerWaalsContact O-N 3.11Å; E77-A81 PolarHBondContact O-N 3.43Å |
| 78 | A | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.2 | -40.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V46 W54 A56 F72 T74 Y82 | V46-A78 HydrophobicContact CB-CB 4.37Å; V46-A78 HydrophobicContact CG1-CB 3.74Å; V46-A78 HydrophobicContact CG2-CB 3.71Å; W54-A78 HydrophobicContact CB-CB 3.98Å; A56-A78 HydrophobicContact CB-CB 4.24Å; A56-A78 WeakPolarHBondContact CB-O 2.98Å; F72-A78 HydrophobicContact CB-CB 3.99Å; F72-A78 VanDerWaalsContact CD2-CA 3.44Å; F72-A78 HydrophobicContact CD2-CB 3.65Å; F72-A78 HydrophobicContact CG-CB 4.08Å; T74-A78 PolarHBondContact O-N 3.42Å; A78-Y82 PolarHBondContact O-N 3.06Å; A78-Y82 VanDerWaalsContact O-N 3.07Å |
| 79 | A | 94.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.4 | -37.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F43 V46 A75 E76 E77 Y82 D83 N97 F98 | F43-A79 HydrophobicContact CB-CB 3.61Å; F43-A79 HydrophobicContact CD1-CB 3.76Å; F43-A79 HydrophobicContact CD2-CB 4.11Å; F43-A79 HydrophobicContact CE1-CB 4.44Å; F43-A79 HydrophobicContact CG-CB 3.56Å; V46-A79 HydrophobicContact CG2-CB 4.02Å; A75-A79 WeakPolarHBondContact O-CB 3.45Å; A75-A79 PolarHBondContact O-N 3.49Å; E76-A79 PolarHBondContact O-N 2.97Å; E77-A79 PolarHBondContact O-N 3.14Å; A79-Y82 WeakPolarHBondContact O-CB 3.25Å; A79-Y82 PolarHBondContact O-N 2.92Å; A79-D83 PolarHBondContact O-N 3.3Å; A79-N97 HydrophobicContact CB-CB 4.08Å; A79-F98 HydrophobicContact CB-CD2 4.49Å; A79-F98 HydrophobicContact CB-CE2 3.45Å; A79-F98 VanDerWaalsContact CB-CE2 3.45Å; A79-F98 HydrophobicContact CB-CZ 3.77Å |
| 80 | R | 94.1 | Very high | 93.4 | Very high | 113 Ų | 113 | 41.1 Ų | 41.1 | 43% | 0.426 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.7 | -42.2 | 175.7 | -75.4 | -170.7 | -62 | -86.7 | 3.1 | 111.4 | E76 E77 Y82 D83 E84 F98 A127 | E76-R80 WeakPolarHBondContact O-CG 3.31Å; E76-R80 PolarHBondContact O-N 3.28Å; E77-R80 PolarHBondContact O-N 2.85Å; E77-R80 VanDerWaalsContact O-N 3.11Å; R80-Y82 VanDerWaalsContact C-N 3.3Å; R80-Y82 PolarHBondContact O-N 2.96Å; R80-D83 WeakPolarHBondContact O-CB 3.41Å; R80-D83 PolarHBondContact O-N 2.84Å; R80-D83 VanDerWaalsContact O-N 3.14Å; R80-E84 PolarHBondContact O-N 3.29Å; R80-F98 HydrophobicContact CB-CE2 4.34Å; R80-F98 HydrophobicContact CG-CD2 3.76Å; R80-F98 HydrophobicContact CG-CE2 3.5Å; R80-F98 VanDerWaalsContact CG-CE2 3.5Å; R80-F98 HydrophobicContact CG-CZ 4.33Å; R80-A127 HydrophobicContact CB-CB 4.06Å |
| 81 | A | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.6 | -42.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | F72 E77 D83 A85 A127 L128 | F72-A81 HydrophobicContact CE1-CB 3.96Å; F72-A81 HydrophobicContact CE2-CB 3.66Å; F72-A81 HydrophobicContact CZ-CB 3.29Å; E77-A81 PolarHBondContact O-N 3.43Å; A81-D83 VanDerWaalsContact C-N 3.34Å; A81-D83 PolarHBondContact O-N 2.68Å; A81-A85 WeakPolarHBondContact O-CB 3.41Å; A81-A85 PolarHBondContact O-N 3.07Å; A81-A127 HydrophobicContact CB-CB 3.9Å; A81-L128 HydrophobicContact CB-CD2 3.84Å; A81-L128 HydrophobicContact CB-CG 4.37Å; A81-L128 WeakPolarHBondContact O-CD2 3.48Å |
| 82 | Y | 95.2 | Very high | 92.5 | Very high | 36 Ų | 36 | 44 Ų | 44 | 14% | 0.141 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.5 | -41.8 | 173.8 | -176.6 | -91.2 | 0 | 0 | 0 | 112.3 | V44 E57 I58 L69 A78 A79 R80 A85 A86 | V44-Y82 HydrophobicContact CB-CE1 4.36Å; V44-Y82 HydrophobicContact CG1-CE1 3.9Å; E57-Y82 WeakPolarHBondContact O-CD2 3.13Å; E57-Y82 VanDerWaalsContact O-CE2 3.31Å; E57-Y82 WeakPolarHBondContact O-CE2 2.76Å; I58-Y82 HydrophobicContact CB-CD2 4.34Å; I58-Y82 HydrophobicContact CB-CE2 4.06Å; I58-Y82 HydrophobicContact CD1-CE2 4.31Å; I58-Y82 HydrophobicContact CG1-CE2 4.06Å; L69-Y82 HydrophobicContact CD1-CD2 4.21Å; A78-Y82 PolarHBondContact O-N 3.06Å; A78-Y82 VanDerWaalsContact O-N 3.07Å; A79-Y82 WeakPolarHBondContact O-CB 3.25Å; A79-Y82 PolarHBondContact O-N 2.92Å; R80-Y82 VanDerWaalsContact C-N 3.3Å; R80-Y82 PolarHBondContact O-N 2.96Å; Y82-A85 PolarHBondContact O-N 3.11Å; Y82-A86 HydrophobicContact CE1-CB 4.37Å; Y82-A86 VanDerWaalsContact O-CB 3.28Å; Y82-A86 WeakPolarHBondContact O-CB 3.28Å; Y82-A86 PolarHBondContact O-N 2.91Å |
| 83 | D | 93.9 | Very high | 91.9 | Very high | 13 Ų | 13 | 51 Ų | 51 | 7% | 0.07 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.6 | -44.1 | -178.6 | -70 | 4.9 | 0 | 0 | 0 | 112.5 | A79 R80 A81 A85 A86 C87 T96 N97 F98 | A79-D83 PolarHBondContact O-N 3.3Å; R80-D83 WeakPolarHBondContact O-CB 3.41Å; R80-D83 PolarHBondContact O-N 2.84Å; R80-D83 VanDerWaalsContact O-N 3.14Å; A81-D83 VanDerWaalsContact C-N 3.34Å; A81-D83 PolarHBondContact O-N 2.68Å; D83-A85 VanDerWaalsContact C-N 3.35Å; D83-A86 PolarHBondContact O-N 3.24Å; D83-C87 WeakPolarHBondContact O-CB 3.44Å; D83-C87 PolarHBondContact O-N 3.08Å; D83-C87 PolarHBondContact O-SG 2.97Å; D83-T96 HydrophobicContact CB-CG2 4.17Å; D83-T96 VanDerWaalsContact OD1-C 3.31Å; D83-T96 WeakPolarHBondContact OD1-CB 3.32Å; D83-T96 WeakPolarHBondContact OD2-CB 3.43Å; D83-T96 PolarHBondContact OD2-OG1 3.31Å; D83-N97 WeakPolarHBondContact OD1-CB 3.27Å; D83-N97 PolarHBondContact OD1-N 3.44Å; D83-N97 PolarHBondContact OD1-ND2 3.35Å; D83-N97 WeakPolarHBondContact OD2-CA 3.5Å; D83-N97 PolarHBondContact OD2-N 3.02Å; D83-F98 VanDerWaalsContact OD2-CD2 3.25Å; D83-F98 WeakPolarHBondContact OD2-CD2 3.3Å; D83-F98 PolarHBondContact OD2-N 2.86Å |
| 84 | E | 93.6 | Very high | 91.5 | Very high | 61 Ų | 61 | 46.4 Ų | 46.4 | 29% | 0.285 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.2 | -46.7 | 172.3 | -72.8 | 178.3 | -162.5 | 0 | 0 | 110.8 | R80 A86 C87 L88 A127 L128 | R80-E84 PolarHBondContact O-N 3.29Å; E84-A86 PolarHBondContact O-N 3.05Å; E84-C87 PolarHBondContact O-N 3.3Å; E84-L88 VanDerWaalsContact O-CG 3.3Å; E84-L88 WeakPolarHBondContact O-CG 3.47Å; E84-L88 PolarHBondContact O-N 2.94Å; E84-A127 VanDerWaalsContact CD-N 3.34Å; E84-A127 PolarHBondContact OE1-N 2.99Å; E84-A127 PolarHBondContact OE2-N 3.26Å; E84-L128 HydrophobicContact CB-CD1 3.61Å; E84-L128 HydrophobicContact CB-CG 4.08Å; E84-L128 PolarHBondContact OE2-N 2.69Å |
| 85 | A | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.7 | -40.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I58 L69 A81 Y82 D83 L88 L89 L128 L136 | I58-A85 HydrophobicContact CD1-CB 4.11Å; I58-A85 HydrophobicContact CG2-CB 4.44Å; L69-A85 HydrophobicContact CD1-CB 3.68Å; L69-A85 HydrophobicContact CD2-CB 3.53Å; L69-A85 HydrophobicContact CG-CB 4.27Å; A81-A85 WeakPolarHBondContact O-CB 3.41Å; A81-A85 PolarHBondContact O-N 3.07Å; Y82-A85 PolarHBondContact O-N 3.11Å; D83-A85 VanDerWaalsContact C-N 3.35Å; A85-L88 PolarHBondContact O-N 2.96Å; A85-L89 PolarHBondContact O-N 3.28Å; A85-L128 HydrophobicContact CB-CD1 3.93Å; A85-L128 HydrophobicContact CB-CD2 4.41Å; A85-L136 HydrophobicContact CB-CD1 3.63Å |
| 86 | A | 92.3 | Very high | 91.1 | Very high | 4 Ų | 4 | 53.1 Ų | 53.1 | 3% | 0.033 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | I58 Y82 D83 E84 L88 L89 R90 T94 | I58-A86 HydrophobicContact CD1-CB 3.9Å; Y82-A86 HydrophobicContact CE1-CB 4.37Å; Y82-A86 VanDerWaalsContact O-CB 3.28Å; Y82-A86 WeakPolarHBondContact O-CB 3.28Å; Y82-A86 PolarHBondContact O-N 2.91Å; D83-A86 PolarHBondContact O-N 3.24Å; E84-A86 PolarHBondContact O-N 3.05Å; A86-L88 VanDerWaalsContact C-N 3.31Å; A86-L88 PolarHBondContact O-N 2.88Å; A86-L89 PolarHBondContact O-N 3.14Å; A86-R90 PolarHBondContact O-N 3.37Å; A86-T94 HydrophobicContact CB-CG2 3.65Å; A86-T94 PolarHBondContact O-OG1 3.49Å |
| 87 | C | 91.2 | Very high | 90.9 | Very high | 22 Ų | 22 | 50.1 Ų | 50.1 | 15% | 0.149 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61 | -38.8 | 173.3 | -73.9 | 0 | 0 | 0 | 0 | 112.6 | D83 E84 G91 | D83-C87 WeakPolarHBondContact O-CB 3.44Å; D83-C87 PolarHBondContact O-N 3.08Å; D83-C87 PolarHBondContact O-SG 2.97Å; E84-C87 PolarHBondContact O-N 3.3Å; C87-G91 WeakPolarHBondContact CA-O 3.42Å; C87-G91 CarbonylContact O-C 3.54Å; C87-G91 VanDerWaalsContact O-C 3.3Å; C87-G91 WeakPolarHBondContact O-CA 3.46Å; C87-G91 PolarHBondContact O-N 3.11Å |
| 88 | L | 91.1 | Very high | 90.6 | Very high | 57 Ų | 57 | 50.5 Ų | 50.5 | 30% | 0.298 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -72.2 | -35.3 | 179.2 | -71.4 | 170.4 | 0 | 0 | 0 | 113.2 | E84 A85 A86 L128 T133 L136 L140 | E84-L88 VanDerWaalsContact O-CG 3.3Å; E84-L88 WeakPolarHBondContact O-CG 3.47Å; E84-L88 PolarHBondContact O-N 2.94Å; A85-L88 PolarHBondContact O-N 2.96Å; A86-L88 VanDerWaalsContact C-N 3.31Å; A86-L88 PolarHBondContact O-N 2.88Å; L88-L128 HydrophobicContact CD1-CD1 4.14Å; L88-T133 HydrophobicContact CD1-CG2 3.91Å; L88-L136 HydrophobicContact CB-CB 4.35Å; L88-L136 HydrophobicContact CD1-CD1 4.21Å; L88-L140 WeakPolarHBondContact O-CD1 3.32Å |
| 89 | L | 90.2 | Very high | 89.3 | Confident | 7 Ų | 7 | 57.4 Ų | 57.4 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -84.6 | -41.6 | -177.5 | -76.4 | 176.3 | 0 | 0 | 0 | 113.9 | I58 Q63 I65 A85 A86 L136 H139 | I58-L89 HydrophobicContact CD1-CD1 3.81Å; I58-L89 HydrophobicContact CG1-CD1 4.04Å; I58-L89 HydrophobicContact CG2-CD1 3.92Å; Q63-L89 PolarHBondContact NE2-O 3Å; I65-L89 HydrophobicContact CD1-CD1 3.61Å; I65-L89 HydrophobicContact CD1-CD2 3.48Å; I65-L89 VanDerWaalsContact CD1-CD2 3.48Å; I65-L89 HydrophobicContact CD1-CG 4.17Å; A85-L89 PolarHBondContact O-N 3.28Å; A86-L89 PolarHBondContact O-N 3.14Å; L89-L136 HydrophobicContact CD1-CD2 3.57Å; L89-L136 HydrophobicContact CD2-CB 4.15Å; L89-L136 HydrophobicContact CD2-CD2 3.77Å; L89-L136 HydrophobicContact CG-CB 4.38Å; L89-L136 HydrophobicContact CG-CD2 3.65Å; L89-H139 HydrophobicContact CD2-CB 4Å |
| 90 | R | 89.3 | Confident | 87.5 | Confident | 144 Ų | 144 | 63 Ų | 63 | 54% | 0.543 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -110.1 | -11.9 | -170.7 | -173.5 | 179.6 | -64 | 179.8 | -0.2 | 113 | D60 A86 T94 | D60-R90 IonicContact OD1-CZ 2.88Å; D60-R90 IonicContact OD1-NE 3.56Å; D60-R90 IonicContact OD1-NH2 3.31Å; D60-R90 PolarHBondContact OD1-NH2 3.29Å; A86-R90 PolarHBondContact O-N 3.37Å; R90-T94 HydrophobicContact CB-CG2 4.19Å; R90-T94 VanDerWaalsContact CB-OG1 3.27Å; R90-T94 WeakPolarHBondContact CB-OG1 3.33Å; R90-T94 HydrophobicContact CG-CG2 4.47Å |
| 91 | G | 87.1 | Confident | 85.6 | Confident | 24 Ų | 24 | 65 Ų | 65 | 25% | 0.247 | 32% | 0.315 | C | S | . | . | trans | 103.9 | -177.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | C87 N93 T94 | C87-G91 WeakPolarHBondContact CA-O 3.42Å; C87-G91 CarbonylContact O-C 3.54Å; C87-G91 VanDerWaalsContact O-C 3.3Å; C87-G91 WeakPolarHBondContact O-CA 3.46Å; C87-G91 PolarHBondContact O-N 3.11Å; G91-N93 VanDerWaalsContact C-N 3.26Å; G91-N93 PolarHBondContact O-N 3.25Å; G91-T94 WeakPolarHBondContact O-CB 2.98Å; G91-T94 PolarHBondContact O-N 2.9Å; G91-T94 PolarHBondContact O-OG1 2.87Å | ||
| 92 | S | 84.7 | Confident | 83.3 | Confident | 97 Ų | 97 | 69.1 Ų | 69.1 | 68% | 0.678 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -24 | -175.6 | 49.7 | 0 | 0 | 0 | 0 | 114.7 | T94 | S92-T94 PolarHBondContact O-N 3.49Š|
| 93 | N | 82.7 | Confident | 80.9 | Confident | 163 Ų | 163 | 71.6 Ų | 71.6 | 87% | 0.872 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 28.3 | 179.9 | -164.4 | 7 | 0 | 0 | 0 | 113.1 | G91 | G91-N93 VanDerWaalsContact C-N 3.26Å; G91-N93 PolarHBondContact O-N 3.25Å |
| 94 | T | 85.3 | Confident | 78.5 | Confident | 17 Ų | 17 | 75.2 Ų | 75.2 | 10% | 0.104 | 41% | 0.408 | C | S | . | . | trans | -87.7 | 138.6 | -177.8 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | A86 R90 G91 S92 T96 | A86-T94 HydrophobicContact CB-CG2 3.65Å; A86-T94 PolarHBondContact O-OG1 3.49Å; R90-T94 HydrophobicContact CB-CG2 4.19Å; R90-T94 VanDerWaalsContact CB-OG1 3.27Å; R90-T94 WeakPolarHBondContact CB-OG1 3.33Å; R90-T94 HydrophobicContact CG-CG2 4.47Å; G91-T94 WeakPolarHBondContact O-CB 2.98Å; G91-T94 PolarHBondContact O-N 2.9Å; G91-T94 PolarHBondContact O-OG1 2.87Å; S92-T94 PolarHBondContact O-N 3.49Å; T94-T96 WeakPolarHBondContact O-CG2 3.4Å; T94-T96 PolarHBondContact O-N 3.4Å | ||
| 95 | R | 87.4 | Confident | 76.1 | Confident | 191 Ų | 191 | 77.5 Ų | 77.5 | 72% | 0.721 | 43% | 0.426 | S | S | * | . | trans | -69.7 | 113.3 | 171.3 | -164.3 | 178.2 | 78.1 | 167.1 | 1.9 | 109.5 | W99 | R95-W99 HydrophobicContact CB-CZ2 4.34Å; R95-W99 HydrophobicContact CG-CH2 3.9Å; R95-W99 HydrophobicContact CG-CZ2 3.26Å | ||
| 96 | T | 90.7 | Very high | 73.6 | Confident | 13 Ų | 13 | 81.4 Ų | 81.4 | 8% | 0.08 | 45% | 0.451 | C | S | . | . | trans | -98 | -143.4 | -173.6 | 69.4 | 0 | 0 | 0 | 0 | 112.3 | D83 T94 F98 W99 | D83-T96 HydrophobicContact CB-CG2 4.17Å; D83-T96 VanDerWaalsContact OD1-C 3.31Å; D83-T96 WeakPolarHBondContact OD1-CB 3.32Å; D83-T96 WeakPolarHBondContact OD2-CB 3.43Å; D83-T96 PolarHBondContact OD2-OG1 3.31Å; T94-T96 WeakPolarHBondContact O-CG2 3.4Å; T94-T96 PolarHBondContact O-N 3.4Å; T96-F98 PolarHBondContact OG1-O 3.46Å; T96-W99 WeakPolarHBondContact O-CH2 3.3Å; T96-W99 WeakPolarHBondContact O-CZ3 3.45Å; T96-W99 WeakPolarHBondContact OG1-CZ3 3.43Å | ||
| 97 | N | 90 | Very high | 71.5 | Confident | 25 Ų | 25 | 85.1 Ų | 85.1 | 13% | 0.134 | 48% | 0.482 | C | S | . | . | S | Bend | trans | -111.5 | -32.3 | 159.2 | -68.7 | -68.7 | 0 | 0 | 0 | 114.2 | F43 V44 A79 D83 W99 | F43-N97 HydrophobicContact CD1-CB 4.22Å; V44-N97 WeakPolarHBondContact CA-OD1 3.23Å; V44-N97 WeakPolarHBondContact CB-OD1 3.35Å; V44-N97 WeakPolarHBondContact CG2-OD1 3.38Å; V44-N97 PolarHBondContact N-OD1 2.91Å; V44-N97 PolarHBondContact O-ND2 3.21Å; A79-N97 HydrophobicContact CB-CB 4.08Å; D83-N97 WeakPolarHBondContact OD1-CB 3.27Å; D83-N97 PolarHBondContact OD1-N 3.44Å; D83-N97 PolarHBondContact OD1-ND2 3.35Å; D83-N97 WeakPolarHBondContact OD2-CA 3.5Å; D83-N97 PolarHBondContact OD2-N 3.02Å; N97-W99 VanDerWaalsContact CA-CZ3 3.46Å |
| 98 | F | 86.6 | Confident | 69.5 | Low | 74 Ų | 74 | 88.8 Ų | 88.8 | 33% | 0.325 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -106.5 | 101.3 | 177.6 | -55.8 | -75.4 | 0 | 0 | 0 | 112.1 | F43 E76 A79 R80 D83 T96 | F43-F98 HydrophobicContact CD1-CZ 4.38Å; F43-F98 HydrophobicContact CE1-CE1 4Å; F43-F98 AromaticContact CE1-CZ 3.93Å; F43-F98 HydrophobicContact CE1-CZ 3.93Å; F43-F98 HydrophobicContact CZ-CZ 4.41Å; E76-F98 HydrophobicContact CB-CZ 4.18Å; E76-F98 WeakPolarHBondContact O-CE2 3.44Å; A79-F98 HydrophobicContact CB-CD2 4.49Å; A79-F98 HydrophobicContact CB-CE2 3.45Å; A79-F98 VanDerWaalsContact CB-CE2 3.45Å; A79-F98 HydrophobicContact CB-CZ 3.77Å; R80-F98 HydrophobicContact CB-CE2 4.34Å; R80-F98 HydrophobicContact CG-CD2 3.76Å; R80-F98 HydrophobicContact CG-CE2 3.5Å; R80-F98 VanDerWaalsContact CG-CE2 3.5Å; R80-F98 HydrophobicContact CG-CZ 4.33Å; D83-F98 VanDerWaalsContact OD2-CD2 3.25Å; D83-F98 WeakPolarHBondContact OD2-CD2 3.3Å; D83-F98 PolarHBondContact OD2-N 2.86Å; T96-F98 PolarHBondContact OG1-O 3.46Å |
| 99 | W | 67.1 | Low | 67.5 | Low | 145 Ų | 145 | 88.8 Ų | 88.8 | 55% | 0.549 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -91.1 | 129.9 | 167.8 | -69.2 | -170.5 | 0 | 0 | 0 | 106.1 | R95 T96 N97 | R95-W99 HydrophobicContact CB-CZ2 4.34Å; R95-W99 HydrophobicContact CG-CH2 3.9Å; R95-W99 HydrophobicContact CG-CZ2 3.26Å; T96-W99 WeakPolarHBondContact O-CH2 3.3Å; T96-W99 WeakPolarHBondContact O-CZ3 3.45Å; T96-W99 WeakPolarHBondContact OG1-CZ3 3.43Å; N97-W99 VanDerWaalsContact CA-CZ3 3.46Å |
| 100 | P | 57.5 | Low | 65.6 | Low | 117 Ų | 117 | 92.2 Ų | 92.2 | 76% | 0.76 | 54% | 0.541 | S | S | * | . | cis | -104.9 | 138.4 | 9.1 | 29.4 | -14.3 | 0 | 0 | 0 | 111.8 | A102 | P100-A102 PolarHBondContact O-N 3.46Š| ||
| 101 | R | 54.6 | Low | 63.8 | Low | 156 Ų | 156 | 89.3 Ų | 89.3 | 59% | 0.589 | 55% | 0.548 | S | S | * | . | trans | -48.1 | 114.3 | 155 | 175.8 | 173.3 | 176.7 | 169.8 | -2.3 | 104.9 | A103 | R101-A103 PolarHBondContact O-N 2.98Š| ||
| 102 | A | 45.2 | Very low | 61.9 | Low | 86 Ų | 86 | 96.5 Ų | 96.5 | 71% | 0.711 | 58% | 0.577 | S | S | * | * | trans | -49.8 | 104.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 104.8 | P100 A104 | P100-A102 PolarHBondContact O-N 3.46Å; A102-A104 PolarHBondContact O-N 3.24Å | ||
| 103 | A | 43.9 | Very low | 60.2 | Low | 87 Ų | 87 | 95.4 Ų | 95.4 | 72% | 0.719 | 57% | 0.574 | S | S | * | * | trans | -48.8 | 118.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 102.1 | R101 V105 | R101-A103 PolarHBondContact O-N 2.98Å; A103-V105 PolarHBondContact O-N 2.99Å | ||
| 104 | A | 44.5 | Very low | 58.7 | Low | 90 Ų | 90 | 92 Ų | 92 | 74% | 0.744 | 56% | 0.561 | S | S | * | * | trans | -36.4 | 113.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 105.2 | A102 P106 | A102-A104 PolarHBondContact O-N 3.24Å; A104-P106 WeakPolarHBondContact O-CA 3.43Å | ||
| 105 | V | 43.2 | Very low | 56.8 | Low | 108 Ų | 108 | 97.1 Ų | 97.1 | 66% | 0.655 | 60% | 0.595 | S | S | * | * | trans | -41.9 | 114.8 | -178.9 | -133.2 | 0 | 0 | 0 | 0 | 103.2 | A103 A107 A109 | A103-V105 PolarHBondContact O-N 2.99Å; V105-A107 PolarHBondContact O-N 3.33Å; V105-A109 HydrophobicContact CG1-CB 4.13Å | ||
| 106 | P | 41.2 | Very low | 54.7 | Low | 82 Ų | 82 | 95.5 Ų | 95.5 | 53% | 0.532 | 60% | 0.595 | S | S | . | * | trans | -55.1 | 126.4 | -172.2 | 26.1 | -35.1 | 0 | 0 | 0 | 103.3 | A104 V108 A109 | A104-P106 WeakPolarHBondContact O-CA 3.43Å; P106-V108 HydrophobicContact CB-CG2 3.75Å; P106-V108 HydrophobicContact CG-CG2 3.81Å; P106-V108 CarbonylContact O-C 3.3Å; P106-V108 WeakPolarHBondContact O-CA 3.41Å; P106-V108 WeakPolarHBondContact O-CG2 3.42Å; P106-V108 PolarHBondContact O-N 3.21Å; P106-A109 PolarHBondContact O-N 3.31Å | ||
| 107 | A | 48.6 | Very low | 52.5 | Low | 82 Ų | 82 | 103.7 Ų | 103.7 | 68% | 0.678 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -51 | -14.8 | -165.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V105 A110 A111 | V105-A107 PolarHBondContact O-N 3.33Å; A107-A110 PolarHBondContact O-N 3.06Å; A107-A111 WeakPolarHBondContact O-CB 3.27Å; A107-A111 PolarHBondContact O-N 3.16Å; A107-A111 VanDerWaalsContact O-N 3.1Å |
| 108 | V | 49.7 | Very low | 50.1 | Low | 100 Ų | 100 | 110.8 Ų | 110.8 | 61% | 0.606 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -59.3 | -29.4 | 167.8 | -55.2 | 0 | 0 | 0 | 0 | 116.1 | P106 | P106-V108 HydrophobicContact CB-CG2 3.75Å; P106-V108 HydrophobicContact CG-CG2 3.81Å; P106-V108 CarbonylContact O-C 3.3Å; P106-V108 WeakPolarHBondContact O-CA 3.41Å; P106-V108 WeakPolarHBondContact O-CG2 3.42Å; P106-V108 PolarHBondContact O-N 3.21Å |
| 109 | A | 47.5 | Very low | 47.9 | Very low | 56 Ų | 56 | 114.9 Ų | 114.9 | 46% | 0.463 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -81.6 | -29.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V105 P106 A111 | V105-A109 HydrophobicContact CG1-CB 4.13Å; P106-A109 PolarHBondContact O-N 3.31Å; A109-A111 VanDerWaalsContact C-N 3.3Å |
| 110 | A | 51.1 | Low | 47 | Very low | 79 Ų | 79 | 114.8 Ų | 114.8 | 65% | 0.653 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -73.4 | -25.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112 | A107 | A107-A110 PolarHBondContact O-N 3.06Å |
| 111 | A | 50.5 | Low | 46.8 | Very low | 84 Ų | 84 | 113.1 Ų | 113.1 | 69% | 0.694 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -9.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | A107 A109 | A107-A111 WeakPolarHBondContact O-CB 3.27Å; A107-A111 PolarHBondContact O-N 3.16Å; A107-A111 VanDerWaalsContact O-N 3.1Å; A109-A111 VanDerWaalsContact C-N 3.3Å |
| 112 | M | 48.9 | Very low | 46.4 | Very low | 174 Ų | 174 | 111 Ų | 111 | 86% | 0.857 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | 5.5 | -176.4 | -83.5 | -171.2 | 148.9 | 0 | 0 | 115 | ||
| 113 | A | 48.6 | Very low | 46.8 | Very low | 74 Ų | 74 | 111.4 Ų | 111.4 | 61% | 0.612 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -96.7 | 126.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 114 | P | 50.9 | Low | 47.7 | Very low | 93 Ų | 93 | 111.6 Ų | 111.6 | 60% | 0.604 | 71% | 0.712 | S | S | * | * | trans | -71.5 | 151.1 | -177.1 | 28.4 | -33.2 | 0 | 0 | 0 | 112.5 | H116 | P114-H116 PolarHBondContact O-N 2.92Š| ||
| 115 | P | 45 | Very low | 49 | Very low | 124 Ų | 124 | 112.7 Ų | 112.7 | 81% | 0.805 | 71% | 0.711 | S | S | * | * | trans | -79.6 | 88.2 | -174.6 | 33.8 | -32.6 | 0 | 0 | 0 | 110.1 | ||||
| 116 | H | 44.6 | Very low | 50.7 | Low | 157 Ų | 157 | 111.2 Ų | 111.2 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | trans | -125.2 | 120.8 | 167.4 | -64.7 | -63.2 | 0 | 0 | 0 | 109.3 | P114 Q118 | P114-H116 PolarHBondContact O-N 2.92Å; H116-Q118 PolarHBondContact O-N 3.21Å | ||
| 117 | H | 44.4 | Very low | 52.9 | Low | 184 Ų | 184 | 108 Ų | 108 | 85% | 0.852 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -39.7 | 98.6 | -177.9 | -59.9 | -100.3 | 0 | 0 | 0 | 114.7 | ||
| 118 | Q | 39 | Very low | 54.9 | Low | 174 Ų | 174 | 104.3 Ų | 104.3 | 81% | 0.813 | 66% | 0.655 | S | S | * | * | trans | -175.2 | 118.7 | 154.8 | -111.3 | 159.2 | 61.3 | 0 | 0 | 112.9 | H116 | H116-Q118 PolarHBondContact O-N 3.21Š| ||
| 119 | L | 41 | Very low | 56.8 | Low | 161 Ų | 161 | 102.6 Ų | 102.6 | 84% | 0.843 | 65% | 0.645 | S | S | * | * | trans | 57.2 | 81.9 | 155 | -64.9 | 146.7 | 0 | 0 | 0 | 116.4 | A121 | L119-A121 PolarHBondContact O-N 2.72Š| ||
| 120 | V | 47.5 | Very low | 58.8 | Low | 142 Ų | 142 | 104.3 Ų | 104.3 | 86% | 0.861 | 65% | 0.654 | S | S | * | * | trans | -52.6 | 108.3 | 154.4 | 170.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 121 | A | 52.1 | Low | 60.7 | Low | 83 Ų | 83 | 109.1 Ų | 109.1 | 69% | 0.686 | 66% | 0.66 | S | S | * | * | trans | -55.7 | 124.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | L119 A123 | L119-A121 PolarHBondContact O-N 2.72Å; A121-A123 PolarHBondContact O-N 3.4Å | ||
| 122 | P | 46.5 | Very low | 62.7 | Low | 110 Ų | 110 | 106.2 Ų | 106.2 | 71% | 0.714 | 63% | 0.634 | S | S | * | * | trans | -59.9 | 120.7 | 177.8 | 25.4 | -31.8 | 0 | 0 | 0 | 106.4 | A124 | P122-A124 PolarHBondContact O-N 3.3Š| ||
| 123 | A | 55.2 | Low | 64.8 | Low | 95 Ų | 95 | 99.9 Ų | 99.9 | 79% | 0.785 | 61% | 0.605 | S | S | * | * | trans | -45.7 | 119.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | A121 P125 | A121-A123 PolarHBondContact O-N 3.4Å; A123-P125 VanDerWaalsContact O-N 3.08Å | ||
| 124 | A | 62.5 | Low | 67 | Low | 92 Ų | 92 | 101 Ų | 101 | 76% | 0.76 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 123.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | P122 S126 | P122-A124 PolarHBondContact O-N 3.3Å; A124-S126 PolarHBondContact O-N 3.24Å |
| 125 | P | 70.5 | Confident | 68.9 | Low | 113 Ų | 113 | 100 Ų | 100 | 73% | 0.734 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 129.7 | -178.7 | 24 | -32.6 | 0 | 0 | 0 | 107.5 | A123 A127 | A123-P125 VanDerWaalsContact O-N 3.08Å; P125-A127 PolarHBondContact O-N 2.98Å; P125-A127 VanDerWaalsContact O-N 3.16Å |
| 126 | S | 80 | Confident | 71.1 | Confident | 76 Ų | 76 | 94.1 Ų | 94.1 | 53% | 0.531 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -53.2 | 124.8 | 174.5 | 55 | 0 | 0 | 0 | 0 | 108.4 | A124 L128 | A124-S126 PolarHBondContact O-N 3.24Å; S126-L128 PolarHBondContact O-N 2.97Å |
| 127 | A | 87 | Confident | 73.3 | Confident | 15 Ų | 15 | 91.1 Ų | 91.1 | 12% | 0.124 | 54% | 0.54 | C | S | . | . | S | Bend | trans | -69 | -13.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F72 R80 A81 E84 P125 | F72-A127 VanDerWaalsContact CE1-O 3.25Å; F72-A127 WeakPolarHBondContact CE1-O 3.47Å; R80-A127 HydrophobicContact CB-CB 4.06Å; A81-A127 HydrophobicContact CB-CB 3.9Å; E84-A127 VanDerWaalsContact CD-N 3.34Å; E84-A127 PolarHBondContact OE1-N 2.99Å; E84-A127 PolarHBondContact OE2-N 3.26Å; P125-A127 PolarHBondContact O-N 2.98Å; P125-A127 VanDerWaalsContact O-N 3.16Å |
| 128 | L | 89.5 | Confident | 75.5 | Confident | 4 Ų | 4 | 87.8 Ų | 87.8 | 2% | 0.021 | 53% | 0.528 | C | S | . | . | S | Bend | trans | -91.2 | 136 | 178 | -68.8 | 173.6 | 0 | 0 | 0 | 113.8 | L69 A81 E84 A85 L88 S126 V132 T133 L136 | L69-L128 HydrophobicContact CB-CD2 4.01Å; L69-L128 HydrophobicContact CD1-CD2 4.41Å; L69-L128 HydrophobicContact CD2-CD2 3.96Å; L69-L128 HydrophobicContact CG-CD2 4.35Å; A81-L128 HydrophobicContact CB-CD2 3.84Å; A81-L128 HydrophobicContact CB-CG 4.37Å; A81-L128 WeakPolarHBondContact O-CD2 3.48Å; E84-L128 HydrophobicContact CB-CD1 3.61Å; E84-L128 HydrophobicContact CB-CG 4.08Å; E84-L128 PolarHBondContact OE2-N 2.69Å; A85-L128 HydrophobicContact CB-CD1 3.93Å; A85-L128 HydrophobicContact CB-CD2 4.41Å; L88-L128 HydrophobicContact CD1-CD1 4.14Å; S126-L128 PolarHBondContact O-N 2.97Å; L128-V132 HydrophobicContact CD2-CG1 4.33Å; L128-T133 WeakPolarHBondContact CB-OG1 3.5Å; L128-L136 HydrophobicContact CD1-CD1 4.14Å |
| 129 | P | 89.5 | Confident | 77.9 | Confident | 64 Ų | 64 | 81.9 Ų | 81.9 | 42% | 0.416 | 50% | 0.501 | S | S | . | . | trans | -60.4 | 139.9 | 166.9 | -21.9 | 32.7 | 0 | 0 | 0 | 112.1 | K131 V132 T133 | P129-K131 PolarHBondContact O-N 3.4Å; P129-K131 VanDerWaalsContact O-N 3.07Å; P129-V132 HydrophobicContact CB-CG2 4.3Å; P129-V132 HydrophobicContact CG-CG2 4.41Å; P129-V132 WeakPolarHBondContact O-CB 3.42Å; P129-V132 PolarHBondContact O-N 3.5Å; P129-T133 PolarHBondContact O-N 2.93Å; P129-T133 VanDerWaalsContact O-N 3.15Å; P129-T133 PolarHBondContact O-OG1 3.29Å | ||
| 130 | S | 90.9 | Very high | 80.2 | Confident | 92 Ų | 92 | 75.6 Ų | 75.6 | 64% | 0.643 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -53.9 | -36 | -175.4 | -47.8 | 0 | 0 | 0 | 0 | 114.1 | V132 T133 N134 | S130-V132 VanDerWaalsContact C-N 3.34Å; S130-V132 PolarHBondContact O-N 3.06Å; S130-T133 PolarHBondContact O-N 2.94Å; S130-N134 PolarHBondContact O-N 3.07Å; S130-N134 PolarHBondContact O-ND2 3.19Å |
| 131 | K | 90.8 | Very high | 82.2 | Confident | 181 Ų | 181 | 76.5 Ų | 76.5 | 79% | 0.787 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -62.5 | -41 | 177.4 | -172.2 | 173 | -176.4 | 175.6 | 0 | 112 | P129 L135 | P129-K131 PolarHBondContact O-N 3.4Å; P129-K131 VanDerWaalsContact O-N 3.07Å; K131-L135 PolarHBondContact O-N 3.37Å; K131-L135 VanDerWaalsContact O-N 3.13Å |
| 132 | V | 93.1 | Very high | 84 | Confident | 22 Ų | 22 | 80.3 Ų | 80.3 | 13% | 0.133 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -69.8 | -44.6 | 178.9 | -179.9 | 0 | 0 | 0 | 0 | 109.7 | V67 L69 L128 P129 S130 N134 L135 L136 | V67-V132 HydrophobicContact CG1-CG1 4.17Å; L69-V132 HydrophobicContact CD2-CG1 3.7Å; L128-V132 HydrophobicContact CD2-CG1 4.33Å; P129-V132 HydrophobicContact CB-CG2 4.3Å; P129-V132 HydrophobicContact CG-CG2 4.41Å; P129-V132 WeakPolarHBondContact O-CB 3.42Å; P129-V132 PolarHBondContact O-N 3.5Å; S130-V132 VanDerWaalsContact C-N 3.34Å; S130-V132 PolarHBondContact O-N 3.06Å; V132-N134 VanDerWaalsContact C-N 3.34Å; V132-N134 PolarHBondContact O-N 2.88Å; V132-L135 WeakPolarHBondContact O-CB 3.29Å; V132-L135 PolarHBondContact O-N 3.32Å; V132-L135 VanDerWaalsContact O-N 3.15Å; V132-L136 HydrophobicContact CG1-CD1 4.06Å; V132-L136 HydrophobicContact CG1-CG 4.38Å; V132-L136 VanDerWaalsContact O-CG 3.29Å; V132-L136 WeakPolarHBondContact O-CG 3.16Å; V132-L136 PolarHBondContact O-N 3.46Å |
| 133 | T | 93.2 | Very high | 85.8 | Confident | 41 Ų | 41 | 76.8 Ų | 76.8 | 25% | 0.252 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -55.8 | -47.1 | 176.1 | -55.9 | 0 | 0 | 0 | 0 | 112.2 | L88 L128 P129 S130 L135 L136 L137 | L88-T133 HydrophobicContact CD1-CG2 3.91Å; L128-T133 WeakPolarHBondContact CB-OG1 3.5Å; P129-T133 PolarHBondContact O-N 2.93Å; P129-T133 VanDerWaalsContact O-N 3.15Å; P129-T133 PolarHBondContact O-OG1 3.29Å; S130-T133 PolarHBondContact O-N 2.94Å; T133-L135 PolarHBondContact O-N 2.87Å; T133-L136 PolarHBondContact O-N 3.47Å; T133-L137 PolarHBondContact O-N 2.92Å |
| 134 | N | 92.8 | Very high | 87.3 | Confident | 97 Ų | 97 | 80.8 Ų | 80.8 | 52% | 0.519 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 177.1 | -75.7 | -47.1 | 0 | 0 | 0 | 112.5 | S130 V132 L136 L137 L138 | S130-N134 PolarHBondContact O-N 3.07Å; S130-N134 PolarHBondContact O-ND2 3.19Å; V132-N134 VanDerWaalsContact C-N 3.34Å; V132-N134 PolarHBondContact O-N 2.88Å; N134-L136 PolarHBondContact O-N 3.15Å; N134-L137 PolarHBondContact O-N 3.07Å; N134-L138 WeakPolarHBondContact O-CG 3.49Å; N134-L138 PolarHBondContact O-N 3.18Å |
| 135 | L | 91.8 | Very high | 88.1 | Confident | 74 Ų | 74 | 78.4 Ų | 78.4 | 39% | 0.387 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.1 | -45.9 | 176.1 | -178.9 | 67.5 | 0 | 0 | 0 | 111.6 | V67 K131 V132 T133 L137 L138 H139 | V67-L135 HydrophobicContact CG1-CD2 4Å; V67-L135 HydrophobicContact CG2-CD2 4.46Å; K131-L135 PolarHBondContact O-N 3.37Å; K131-L135 VanDerWaalsContact O-N 3.13Å; V132-L135 WeakPolarHBondContact O-CB 3.29Å; V132-L135 PolarHBondContact O-N 3.32Å; V132-L135 VanDerWaalsContact O-N 3.15Å; T133-L135 PolarHBondContact O-N 2.87Å; L135-L137 VanDerWaalsContact C-N 3.33Å; L135-L137 PolarHBondContact O-N 3.1Å; L135-L138 WeakPolarHBondContact O-CB 2.97Å; L135-L138 PolarHBondContact O-N 3.1Å; L135-H139 PolarHBondContact O-CD2 3.25Å; L135-H139 PolarHBondContact O-N 3.29Å; L135-H139 VanDerWaalsContact O-N 3.1Å |
| 136 | L | 91 | Very high | 88.1 | Confident | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 178.7 | -62.6 | 169.7 | 0 | 0 | 0 | 111.5 | I58 V67 L69 A85 L88 L89 L128 V132 T133 N134 H139 L140 | I58-L136 HydrophobicContact CG2-CD2 4.31Å; V67-L136 HydrophobicContact CB-CD2 4.17Å; V67-L136 HydrophobicContact CG1-CD2 4.09Å; V67-L136 HydrophobicContact CG2-CD2 4.02Å; L69-L136 HydrophobicContact CD2-CD1 4.26Å; A85-L136 HydrophobicContact CB-CD1 3.63Å; L88-L136 HydrophobicContact CB-CB 4.35Å; L88-L136 HydrophobicContact CD1-CD1 4.21Å; L89-L136 HydrophobicContact CD1-CD2 3.57Å; L89-L136 HydrophobicContact CD2-CB 4.15Å; L89-L136 HydrophobicContact CD2-CD2 3.77Å; L89-L136 HydrophobicContact CG-CB 4.38Å; L89-L136 HydrophobicContact CG-CD2 3.65Å; L128-L136 HydrophobicContact CD1-CD1 4.14Å; V132-L136 HydrophobicContact CG1-CD1 4.06Å; V132-L136 HydrophobicContact CG1-CG 4.38Å; V132-L136 VanDerWaalsContact O-CG 3.29Å; V132-L136 WeakPolarHBondContact O-CG 3.16Å; V132-L136 PolarHBondContact O-N 3.46Å; T133-L136 PolarHBondContact O-N 3.47Å; N134-L136 PolarHBondContact O-N 3.15Å; L136-H139 PolarHBondContact O-N 3.13Å; L136-L140 PolarHBondContact O-N 3.47Å |
| 137 | L | 91.6 | Very high | 87.2 | Confident | 93 Ų | 93 | 77.4 Ų | 77.4 | 49% | 0.487 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.1 | -38.9 | 176.9 | -174 | 61 | 0 | 0 | 0 | 112.2 | T133 N134 L135 H139 L140 K141 | T133-L137 PolarHBondContact O-N 2.92Å; N134-L137 PolarHBondContact O-N 3.07Å; L135-L137 VanDerWaalsContact C-N 3.33Å; L135-L137 PolarHBondContact O-N 3.1Å; L137-H139 VanDerWaalsContact C-N 3.34Å; L137-H139 PolarHBondContact O-N 3Å; L137-L140 HydrophobicContact CD1-CD2 4.43Å; L137-L140 PolarHBondContact O-N 3.02Å; L137-K141 PolarHBondContact O-N 3.32Å |
| 138 | L | 90.9 | Very high | 85.9 | Confident | 115 Ų | 115 | 80.5 Ų | 80.5 | 60% | 0.602 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -61.2 | -42.1 | 173.4 | -73 | 169.6 | 0 | 0 | 0 | 111.6 | N134 L135 K141 K142 | N134-L138 WeakPolarHBondContact O-CG 3.49Å; N134-L138 PolarHBondContact O-N 3.18Å; L135-L138 WeakPolarHBondContact O-CB 2.97Å; L135-L138 PolarHBondContact O-N 3.1Å; L138-K141 PolarHBondContact O-N 3.32Å; L138-K142 PolarHBondContact O-N 3.49Å |
| 139 | H | 89 | Confident | 84.2 | Confident | 50 Ų | 50 | 86 Ų | 86 | 23% | 0.231 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -63 | -44 | 175.7 | -76 | -64.2 | 0 | 0 | 0 | 112.3 | I65 L89 L135 L136 L137 K141 K142 A143 | I65-H139 HydrophobicContact CD1-CB 4.2Å; L89-H139 HydrophobicContact CD2-CB 4Å; L135-H139 PolarHBondContact O-CD2 3.25Å; L135-H139 PolarHBondContact O-N 3.29Å; L135-H139 VanDerWaalsContact O-N 3.1Å; L136-H139 PolarHBondContact O-N 3.13Å; L137-H139 VanDerWaalsContact C-N 3.34Å; L137-H139 PolarHBondContact O-N 3Å; H139-K141 VanDerWaalsContact C-N 3.34Å; H139-K141 PolarHBondContact O-N 2.98Å; H139-K142 PolarHBondContact O-N 3.38Å; H139-A143 WeakPolarHBondContact O-CB 3.4Å; H139-A143 PolarHBondContact O-N 3.15Å |
| 140 | L | 88.6 | Confident | 82.3 | Confident | 29 Ų | 29 | 86.1 Ų | 86.1 | 15% | 0.152 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 174.8 | 175.9 | 144.6 | 0 | 0 | 0 | 111.7 | L88 L136 L137 K142 A143 R144 | L88-L140 WeakPolarHBondContact O-CD1 3.32Å; L136-L140 PolarHBondContact O-N 3.47Å; L137-L140 HydrophobicContact CD1-CD2 4.43Å; L137-L140 PolarHBondContact O-N 3.02Å; L140-K142 PolarHBondContact O-N 3.03Å; L140-A143 PolarHBondContact O-N 2.98Å; L140-R144 WeakPolarHBondContact O-CG 3.32Å; L140-R144 PolarHBondContact O-N 3.28Å |
| 141 | K | 90 | Very high | 80.3 | Confident | 161 Ų | 161 | 87.9 Ų | 87.9 | 70% | 0.7 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63 | -41.4 | 176.9 | -172.6 | 172.6 | 179.3 | 174 | 0 | 111.6 | L137 L138 H139 R144 G145 | L137-K141 PolarHBondContact O-N 3.32Å; L138-K141 PolarHBondContact O-N 3.32Å; H139-K141 VanDerWaalsContact C-N 3.34Å; H139-K141 PolarHBondContact O-N 2.98Å; K141-R144 PolarHBondContact O-N 3.03Å; K141-G145 PolarHBondContact O-N 2.81Å; K141-G145 VanDerWaalsContact O-N 3.09Å |
| 142 | K | 89 | Confident | 78 | Confident | 163 Ų | 163 | 85.6 Ų | 85.6 | 71% | 0.709 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.2 | -43.3 | 175.3 | -174.5 | 176.5 | -179.5 | 179.1 | 0 | 112 | L138 H139 L140 G145 A146 | L138-K142 PolarHBondContact O-N 3.49Å; H139-K142 PolarHBondContact O-N 3.38Å; L140-K142 PolarHBondContact O-N 3.03Å; K142-G145 PolarHBondContact O-N 3.43Å; K142-A146 PolarHBondContact O-N 3.41Å; K142-A146 VanDerWaalsContact O-N 3.09Å |
| 143 | A | 84.9 | Confident | 75.7 | Confident | 36 Ų | 36 | 95.9 Ų | 95.9 | 30% | 0.298 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.6 | -41.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q63 H139 L140 A146 S147 | Q63-A143 HydrophobicContact CG-CB 4.26Å; H139-A143 WeakPolarHBondContact O-CB 3.4Å; H139-A143 PolarHBondContact O-N 3.15Å; L140-A143 PolarHBondContact O-N 2.98Å; A143-A146 PolarHBondContact O-N 3.06Å; A143-S147 PolarHBondContact O-N 3.02Å |
| 144 | R | 85.8 | Confident | 73 | Confident | 179 Ų | 179 | 103 Ų | 103 | 68% | 0.675 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.7 | -39.2 | 175 | -71.9 | -179.4 | 175.7 | -176.1 | -0.6 | 112.7 | L140 K141 S147 A148 | L140-R144 WeakPolarHBondContact O-CG 3.32Å; L140-R144 PolarHBondContact O-N 3.28Å; K141-R144 PolarHBondContact O-N 3.03Å; R144-S147 PolarHBondContact O-N 3.45Å; R144-A148 PolarHBondContact O-N 3.44Å |
| 145 | G | 80 | Confident | 70.7 | Confident | 42 Ų | 42 | 102.7 Ų | 102.7 | 43% | 0.433 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.6 | -38.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K141 K142 A148 | K141-G145 PolarHBondContact O-N 2.81Å; K141-G145 VanDerWaalsContact O-N 3.09Å; K142-G145 PolarHBondContact O-N 3.43Å; G145-A148 PolarHBondContact O-N 2.92Å |
| 146 | A | 71.3 | Confident | 68.5 | Low | 74 Ų | 74 | 105 Ų | 105 | 61% | 0.612 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.7 | -35.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K142 A143 A148 | K142-A146 PolarHBondContact O-N 3.41Å; K142-A146 VanDerWaalsContact O-N 3.09Å; A143-A146 PolarHBondContact O-N 3.06Å; A146-A148 VanDerWaalsContact C-N 3.31Å; A146-A148 PolarHBondContact O-N 2.97Å |
| 147 | S | 60.7 | Low | 65.9 | Low | 93 Ų | 93 | 109.9 Ų | 109.9 | 65% | 0.65 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -70.7 | -24.2 | 179.4 | -168.7 | 0 | 0 | 0 | 0 | 113.7 | A143 R144 V149 | A143-S147 PolarHBondContact O-N 3.02Å; R144-S147 PolarHBondContact O-N 3.45Å; S147-V149 VanDerWaalsContact C-N 3.35Å |
| 148 | A | 58.9 | Low | 64.2 | Low | 80 Ų | 80 | 114.6 Ų | 114.6 | 66% | 0.661 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -76.9 | -18.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R144 G145 A146 | R144-A148 PolarHBondContact O-N 3.44Å; G145-A148 PolarHBondContact O-N 2.92Å; A146-A148 VanDerWaalsContact C-N 3.31Å; A146-A148 PolarHBondContact O-N 2.97Å |
| 149 | V | 54.8 | Low | 61.9 | Low | 120 Ų | 120 | 116.8 Ų | 116.8 | 73% | 0.727 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -9.5 | -175.9 | -176.4 | 0 | 0 | 0 | 0 | 112.6 | S147 | S147-V149 VanDerWaalsContact C-N 3.35Š|
| 150 | G | 49.6 | Very low | 59.8 | Low | 67 Ų | 67 | 123.2 Ų | 123.2 | 69% | 0.691 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | 3.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 151 | V | 47.6 | Very low | 57.8 | Low | 128 Ų | 128 | 128 Ų | 128 | 78% | 0.776 | 72% | 0.716 | S | S | * | * | trans | -114.8 | 70 | -177.3 | -168.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 152 | T | 43.1 | Very low | 55.6 | Low | 133 Ų | 133 | 129 Ų | 129 | 82% | 0.816 | 72% | 0.723 | S | S | * | * | trans | -127.7 | 82.9 | 155.2 | 27.7 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 153 | R | 45.1 | Very low | 53.2 | Low | 238 Ų | 238 | 124.8 Ų | 124.8 | 90% | 0.898 | 73% | 0.726 | S | S | * | * | trans | -92 | 107.4 | 172.7 | -177.7 | 173.6 | 160.3 | 147.8 | -4.4 | 107.8 | ||||
| 154 | E | 37.3 | Very low | 51.1 | Low | 190 Ų | 190 | 134.3 Ų | 134.3 | 89% | 0.888 | 76% | 0.756 | S | S | * | * | trans | -42 | 131.8 | 164.4 | -64.2 | -117.2 | 144.9 | 0 | 0 | 111.6 | ||||
| 155 | A | 43.9 | Very low | 49 | Very low | 91 Ų | 91 | 129.4 Ų | 129.4 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | -125.6 | 133.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 156 | P | 44.4 | Very low | 47 | Very low | 123 Ų | 123 | 131.3 Ų | 131.3 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | -84.5 | 149.5 | -159.2 | 33.3 | -35.7 | 0 | 0 | 0 | 114 | ||||
| 157 | A | 36.3 | Very low | 45.4 | Very low | 102 Ų | 102 | 132 Ų | 132 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | -61.6 | 126.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 158 | Q | 56.2 | Low | 44.3 | Very low | 192 Ų | 192 | 131.3 Ų | 131.3 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | trans | -121.8 | 100.5 | 160.5 | -72.5 | -160.1 | -32 | 0 | 0 | 110.9 | H160 | Q158-H160 PolarHBondContact O-N 3.08Š| ||
| 159 | H | 42.9 | Very low | 43.3 | Very low | 161 Ų | 161 | 131.6 Ų | 131.6 | 75% | 0.745 | 81% | 0.813 | S | S | * | * | trans | -5.6 | 107.1 | 145.3 | -166.3 | -96.4 | 0 | 0 | 0 | 117.3 | ||||
| 160 | H | 45.1 | Very low | 42.5 | Very low | 185 Ų | 185 | 130 Ų | 130 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | trans | -145.7 | 126.7 | 148.6 | -159.2 | 73.2 | 0 | 0 | 0 | 110.8 | Q158 | Q158-H160 PolarHBondContact O-N 3.08Š| ||
| 161 | Q | 45.9 | Very low | 42.2 | Very low | 129 Ų | 129 | 130.2 Ų | 130.2 | 60% | 0.603 | 82% | 0.823 | S | S | * | * | trans | -77.5 | 163.4 | -177.5 | -69.1 | -178.9 | 20.6 | 0 | 0 | 111.8 | ||||
| 162 | Q | 44.3 | Very low | 42.4 | Very low | 183 Ų | 183 | 130.4 Ų | 130.4 | 86% | 0.855 | 83% | 0.827 | S | S | * | * | trans | 101.7 | 111.1 | 142.4 | -135.8 | 154.9 | 45.2 | 0 | 0 | 116.4 | ||||
| 163 | G | 38.5 | Very low | 42.5 | Very low | 75 Ų | 75 | 132.2 Ų | 132.2 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | trans | 155.6 | 90.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 164 | Y | 41.9 | Very low | 42.6 | Very low | 235 Ų | 235 | 130.2 Ų | 130.2 | 92% | 0.922 | 83% | 0.827 | S | S | * | * | trans | -69.3 | 147.6 | 176.8 | -62.9 | -99.6 | 0 | 0 | 0 | 112.2 | ||||
| 165 | G | 40.3 | Very low | 42.8 | Very low | 77 Ų | 77 | 130.3 Ų | 130.3 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | 142 | 86.1 | 151.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 166 | G | 38.8 | Very low | 42.9 | Very low | 81 Ų | 81 | 130.5 Ų | 130.5 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | 66.5 | 114.8 | 122.8 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 167 | G | 37.9 | Very low | 42.8 | Very low | 88 Ų | 88 | 132.4 Ų | 132.4 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | trans | 73.5 | 136.6 | 142.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 168 | G | 37.1 | Very low | 43.5 | Very low | 80 Ų | 80 | 135.6 Ų | 135.6 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | cis | 143 | 123.7 | 16.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 169 | G | 37.8 | Very low | 43 | Very low | 85 Ų | 85 | 131.1 Ų | 131.1 | 88% | 0.876 | 80% | 0.796 | S | S | * | * | trans | 85.3 | 129.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 170 | G | 38.1 | Very low | 42.9 | Very low | 88 Ų | 88 | 130.7 Ų | 130.7 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | cis | 118.6 | 98.8 | 24.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 171 | G | 43.1 | Very low | 43.2 | Very low | 70 Ų | 70 | 128.8 Ų | 128.8 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | 160.8 | 125.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 172 | P | 52.7 | Low | 43.2 | Very low | 132 Ų | 132 | 132.4 Ų | 132.4 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | trans | -79.3 | 143.7 | -163.2 | 32.2 | -34.7 | 0 | 0 | 0 | 113.5 | E174 | P172-E174 PolarHBondContact O-N 3.1Š| ||
| 173 | E | 45.3 | Very low | 43 | Very low | 171 Ų | 171 | 132.1 Ų | 132.1 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | trans | -66.5 | 122.6 | 177.5 | -62.4 | -164.8 | 164.7 | 0 | 0 | 112.7 | Y175 | E173-Y175 PolarHBondContact O-N 3.1Š| ||
| 174 | E | 47.4 | Very low | 43.5 | Very low | 197 Ų | 197 | 133.4 Ų | 133.4 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | -75.3 | 93.3 | 152.3 | -80.6 | -175.5 | 142.1 | 0 | 0 | 108.3 | P172 S176 | P172-E174 PolarHBondContact O-N 3.1Å; E174-S176 PolarHBondContact O-N 2.86Å | ||
| 175 | Y | 40.8 | Very low | 43.6 | Very low | 191 Ų | 191 | 131.6 Ų | 131.6 | 75% | 0.749 | 80% | 0.803 | S | S | * | * | trans | -87.2 | 91.7 | 172.7 | -159.2 | -96.2 | 0 | 0 | 0 | 110.1 | E173 F177 | E173-Y175 PolarHBondContact O-N 3.1Å; Y175-F177 PolarHBondContact O-N 2.96Å | ||
| 176 | S | 46.3 | Very low | 43.8 | Very low | 96 Ų | 96 | 134.5 Ų | 134.5 | 67% | 0.671 | 80% | 0.8 | S | S | * | * | trans | -67 | 113.3 | 166.5 | -178.9 | 0 | 0 | 0 | 0 | 109.7 | E174 Q178 | E174-S176 PolarHBondContact O-N 2.86Å; S176-Q178 PolarHBondContact O-N 3.36Å; S176-Q178 VanDerWaalsContact O-N 3.15Å | ||
| 177 | F | 43.2 | Very low | 43.7 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | -74.5 | 94.7 | 175.5 | -176.8 | -110.9 | 0 | 0 | 0 | 109.6 | Y175 V179 | Y175-F177 PolarHBondContact O-N 2.96Å; F177-V179 HydrophobicContact CD1-CG1 3.71Å; F177-V179 HydrophobicContact CE1-CB 4.41Å; F177-V179 HydrophobicContact CE1-CG1 3.09Å; F177-V179 HydrophobicContact CE2-CG1 4.22Å; F177-V179 HydrophobicContact CZ-CG1 3.38Å | ||
| 178 | Q | 50.2 | Low | 44.2 | Very low | 170 Ų | 170 | 136 Ų | 136 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -84.9 | 116.2 | 167.5 | -80.8 | 177 | -16.2 | 0 | 0 | 109.3 | S176 | S176-Q178 PolarHBondContact O-N 3.36Å; S176-Q178 VanDerWaalsContact O-N 3.15Å | ||
| 179 | V | 46.3 | Very low | 44.4 | Very low | 98 Ų | 98 | 137.3 Ų | 137.3 | 59% | 0.594 | 78% | 0.777 | S | S | * | * | trans | -102.2 | 86 | 172.7 | -82.5 | 0 | 0 | 0 | 0 | 108.8 | F177 | F177-V179 HydrophobicContact CD1-CG1 3.71Å; F177-V179 HydrophobicContact CE1-CB 4.41Å; F177-V179 HydrophobicContact CE1-CG1 3.09Å; F177-V179 HydrophobicContact CE2-CG1 4.22Å; F177-V179 HydrophobicContact CZ-CG1 3.38Å | ||
| 180 | D | 41 | Very low | 45.1 | Very low | 152 Ų | 152 | 140.1 Ų | 140.1 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | -141 | 140.2 | 167.1 | -72.9 | -63.5 | 0 | 0 | 0 | 109 | ||||
| 181 | D | 50.6 | Low | 45.7 | Very low | 144 Ų | 144 | 143.4 Ų | 143.4 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | 93.1 | 67.8 | 161.7 | -138.6 | 34.6 | 0 | 0 | 0 | 119.1 | ||||
| 182 | F | 45.6 | Very low | 45.8 | Very low | 206 Ų | 206 | 148.7 Ų | 148.7 | 90% | 0.904 | 77% | 0.769 | S | S | * | * | trans | -140.2 | 29.6 | 149.5 | -154.2 | -103.9 | 0 | 0 | 0 | 113.6 | ||||
| 183 | L | 40.6 | Very low | 45 | Very low | 176 Ų | 176 | 145.9 Ų | 145.9 | 92% | 0.921 | 76% | 0.764 | S | S | * | * | trans | -117.8 | 83.7 | 167.7 | -65.2 | -178.7 | 0 | 0 | 0 | 109.3 | ||||
| 184 | S | 48.2 | Very low | 44.7 | Very low | 103 Ų | 103 | 144.9 Ų | 144.9 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | trans | -151.4 | 92.6 | 167.5 | 174.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 185 | Y | 43.7 | Very low | 44.2 | Very low | 196 Ų | 196 | 141.4 Ų | 141.4 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | 60.7 | 94.5 | 92.6 | -159.7 | -90.4 | 0 | 0 | 0 | 112.5 | |||||
| 186 | D | 44.3 | Very low | 44.3 | Very low | 138 Ų | 138 | 138.4 Ų | 138.4 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | trans | -148 | 109.2 | 137.8 | -157.3 | 1 | 0 | 0 | 0 | 110.2 | T188 | D186-T188 PolarHBondContact OD1-OG1 3.49Š| ||
| 187 | S | 37.1 | Very low | 44.1 | Very low | 98 Ų | 98 | 141.5 Ų | 141.5 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | trans | -142 | 96.2 | 168.2 | -142.7 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 188 | T | 48.6 | Very low | 44 | Very low | 102 Ų | 102 | 140.3 Ų | 140.3 | 63% | 0.626 | 76% | 0.76 | S | S | * | * | trans | -126 | 111.2 | 167.6 | 46.6 | 0 | 0 | 0 | 0 | 107.6 | D186 | D186-T188 PolarHBondContact OD1-OG1 3.49Š| ||
| 189 | S | 42.5 | Very low | 43.7 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | trans | -88.7 | 127.4 | 166.9 | -59.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 190 | D | 51.1 | Low | 43.8 | Very low | 143 Ų | 143 | 141.2 Ų | 141.2 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | trans | -123.4 | 97.8 | 166 | -81.2 | -61 | 0 | 0 | 0 | 110.4 | ||||
| 191 | E | 50.4 | Low | 43.8 | Very low | 157 Ų | 157 | 137.5 Ų | 137.5 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | 57.1 | 111.5 | 118.5 | -36.4 | -131.7 | 131 | 0 | 0 | 120.8 | |||||
| 192 | H | 45.4 | Very low | 43.8 | Very low | 181 Ų | 181 | 136.6 Ų | 136.6 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | 55.4 | 89 | 128.4 | -67.8 | -75 | 0 | 0 | 0 | 121.3 | |||||
| 193 | G | 36.4 | Very low | 43.4 | Very low | 74 Ų | 74 | 132.9 Ų | 132.9 | 76% | 0.763 | 76% | 0.755 | S | S | * | * | 56.3 | 117.3 | 110.4 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 194 | V | 39 | Very low | 43.1 | Very low | 150 Ų | 150 | 129.6 Ų | 129.6 | 91% | 0.909 | 75% | 0.745 | S | S | * | * | trans | -149.1 | 134.2 | 141 | 165.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 195 | V | 36 | Very low | 42.9 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 75% | 0.745 | 75% | 0.746 | S | S | * | * | trans | -55.9 | 148.1 | 174.1 | 167.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 196 | V | 43.5 | Very low | 42.7 | Very low | 129 Ų | 129 | 127.1 Ų | 127.1 | 78% | 0.782 | 74% | 0.741 | S | S | * | * | 176.9 | 104.8 | 122.4 | 177.8 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 197 | K | 43.2 | Very low | 42.6 | Very low | 161 Ų | 161 | 127.5 Ų | 127.5 | 70% | 0.7 | 74% | 0.738 | S | S | * | * | 41.8 | 147.2 | 119.1 | -134.3 | 177.9 | -179.3 | -174.7 | 0 | 123.2 | |||||
| 198 | H | 41 | Very low | 43.1 | Very low | 136 Ų | 136 | 129.6 Ų | 129.6 | 63% | 0.63 | 75% | 0.747 | S | S | * | * | trans | 88.6 | 140.9 | 164.4 | -75 | -94.9 | 0 | 0 | 0 | 117.1 | ||||
| 199 | E | 42.8 | Very low | 43.1 | Very low | 111 Ų | 111 | 133.4 Ų | 133.4 | 52% | 0.519 | 76% | 0.758 | S | S | . | * | cis | 176.3 | 141.2 | -25.7 | -110.9 | 158.4 | -125.7 | 0 | 0 | 105 | ||||
| 200 | E | 47.9 | Very low | 44 | Very low | 177 Ų | 177 | 136.2 Ų | 136.2 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | trans | 53.3 | 117 | 157.5 | 5.2 | -167.1 | 159.1 | 0 | 0 | 118 | ||||
| 201 | G | 42 | Very low | 44 | Very low | 74 Ų | 74 | 136.7 Ų | 136.7 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | 121.6 | 163 | 62.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 202 | S | 49.6 | Very low | 44 | Very low | 124 Ų | 124 | 132.8 Ų | 132.8 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | trans | 113.8 | 131.8 | 165 | -151.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 203 | T | 38.7 | Very low | 44.4 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | -116.1 | 179.1 | -157.2 | 50.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 204 | C | 34.8 | Very low | 45 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 72% | 0.723 | 77% | 0.765 | S | S | * | * | trans | 97.7 | 103.2 | 161.7 | -144 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 205 | S | 42.6 | Very low | 45.5 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | 70.9 | 142 | 94.2 | -44.7 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 206 | Q | 39.9 | Very low | 45.9 | Very low | 143 Ų | 143 | 133.9 Ų | 133.9 | 67% | 0.668 | 76% | 0.759 | S | S | * | * | cis | 176 | 141.7 | 41 | -167.7 | 159.3 | -12.6 | 0 | 0 | 107.7 | ||||
| 207 | E | 42.9 | Very low | 46.2 | Very low | 147 Ų | 147 | 133.7 Ų | 133.7 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | trans | 49 | 131.7 | 143.3 | -60.3 | 158.2 | -157.8 | 0 | 0 | 122.5 | ||||
| 208 | T | 47.8 | Very low | 46.4 | Very low | 142 Ų | 142 | 131.5 Ų | 131.5 | 87% | 0.871 | 76% | 0.758 | S | S | * | * | -176.9 | 152.8 | 99.4 | 25.2 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 209 | E | 48 | Very low | 46.9 | Very low | 181 Ų | 181 | 131 Ų | 131 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | trans | -92.9 | 156.4 | -164.3 | -54.4 | 162.2 | 146.9 | 0 | 0 | 111.5 | ||||
| 210 | D | 61.5 | Low | 47.1 | Very low | 169 Ų | 169 | 129.8 Ų | 129.8 | 90% | 0.904 | 77% | 0.773 | S | S | * | * | trans | -157.6 | 130.8 | 153.4 | -161.1 | 45 | 0 | 0 | 0 | 111 | ||||
| 211 | D | 50.7 | Low | 46.9 | Very low | 153 Ų | 153 | 127.2 Ų | 127.2 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -101.3 | 162.3 | -167.7 | -80.5 | -68.7 | 0 | 0 | 0 | 113.5 | ||||
| 212 | G | 50.3 | Low | 47.3 | Very low | 75 Ų | 75 | 132.6 Ų | 132.6 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | 113.3 | 142.2 | 159.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 213 | D | 53.8 | Low | 47 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | cis | -171 | 163.6 | 4.4 | -176.2 | 34.1 | 0 | 0 | 0 | 107.6 | ||||
| 214 | E | 50.2 | Low | 47.7 | Very low | 171 Ų | 171 | 134.9 Ų | 134.9 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | trans | -42.1 | 147.1 | -171.5 | 47.4 | -126.7 | 170.9 | 0 | 0 | 121.9 | ||||
| 215 | G | 48.1 | Very low | 48.4 | Very low | 69 Ų | 69 | 136.5 Ų | 136.5 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | trans | -162.3 | 75.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V217 | G215-V217 PolarHBondContact O-N 2.95Š| ||
| 216 | E | 45.4 | Very low | 48.7 | Very low | 176 Ų | 176 | 139 Ų | 139 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -55.2 | 119.2 | 170.4 | -176.2 | -170.2 | 160.3 | 0 | 0 | 111.4 | V218 | E216-V218 HydrophobicContact CG-CG2 4.19Š| ||
| 217 | V | 50.2 | Low | 49.4 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | -126.7 | 97.8 | 167.6 | -154.2 | 0 | 0 | 0 | 0 | 109.3 | G215 V219 | G215-V217 PolarHBondContact O-N 2.95Å; V217-V219 PolarHBondContact O-N 3.48Å | ||
| 218 | V | 46.8 | Very low | 50 | Low | 114 Ų | 114 | 138.3 Ų | 138.3 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | trans | -63.5 | 108.8 | 171 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | E216 | E216-V218 HydrophobicContact CG-CG2 4.19Š| ||
| 219 | V | 50.5 | Low | 50.7 | Low | 127 Ų | 127 | 135.3 Ų | 135.3 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | -102.9 | 104.8 | 168.2 | -174.4 | 0 | 0 | 0 | 0 | 108 | V217 C221 | V217-V219 PolarHBondContact O-N 3.48Å; V219-C221 PolarHBondContact O-N 2.9Å | ||
| 220 | A | 46.8 | Very low | 51.7 | Low | 85 Ų | 85 | 132.4 Ų | 132.4 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | trans | -51.5 | 116.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K222 | A220-K222 PolarHBondContact O-N 3.32Å; A220-K222 VanDerWaalsContact O-N 3.14Å | ||
| 221 | C | 44.7 | Very low | 51.5 | Low | 123 Ų | 123 | 131.6 Ų | 131.6 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | trans | -65.7 | 107.1 | 158.2 | -59.7 | 0 | 0 | 0 | 0 | 107.1 | V219 E223 | V219-C221 PolarHBondContact O-N 2.9Å; C221-E223 PolarHBondContact O-N 3.39Å | ||
| 222 | K | 50.2 | Low | 52.3 | Low | 186 Ų | 186 | 131.3 Ų | 131.3 | 81% | 0.809 | 77% | 0.768 | S | S | * | * | trans | -73.2 | 98 | 169.9 | -169.8 | 158.7 | -179.8 | 155.8 | 0 | 107.4 | A220 V224 | A220-K222 PolarHBondContact O-N 3.32Å; A220-K222 VanDerWaalsContact O-N 3.14Å; K222-V224 PolarHBondContact O-N 3.44Å | ||
| 223 | E | 44 | Very low | 52.8 | Low | 177 Ų | 177 | 135.4 Ų | 135.4 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | trans | -49.6 | 119.9 | 161.1 | -67.7 | 178.6 | 145.7 | 0 | 0 | 107.7 | C221 | C221-E223 PolarHBondContact O-N 3.39Š| ||
| 224 | V | 52.8 | Low | 53.1 | Low | 123 Ų | 123 | 130.1 Ų | 130.1 | 75% | 0.745 | 74% | 0.742 | S | S | * | * | trans | -104.7 | 102.7 | 165.3 | -83.9 | 0 | 0 | 0 | 0 | 105.4 | K222 D226 | K222-V224 PolarHBondContact O-N 3.44Å; V224-D226 PolarHBondContact O-N 3.31Å | ||
| 225 | D | 50.3 | Low | 53.7 | Low | 142 Ų | 142 | 130.9 Ų | 130.9 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | trans | -48.5 | 119.6 | 170.5 | -90.8 | -77.2 | 0 | 0 | 0 | 110.6 | T227 | D225-T227 VanDerWaalsContact C-N 3.26Å; D225-T227 HydrophobicContact CB-CG2 4.43Å; D225-T227 PolarHBondContact O-N 3.02Å | ||
| 226 | D | 49.1 | Very low | 54.1 | Low | 156 Ų | 156 | 134.9 Ų | 134.9 | 83% | 0.834 | 75% | 0.745 | S | S | * | * | trans | -67 | 84.6 | 161.8 | -72.4 | -61 | 0 | 0 | 0 | 108.5 | V224 D228 | V224-D226 PolarHBondContact O-N 3.31Å; D226-D228 PolarHBondContact O-N 3.43Å | ||
| 227 | T | 52.9 | Low | 54.9 | Low | 119 Ų | 119 | 133.3 Ų | 133.3 | 73% | 0.73 | 74% | 0.742 | S | S | * | * | trans | -84 | 88.3 | 165.4 | 49.7 | 0 | 0 | 0 | 0 | 109.4 | D225 A229 | D225-T227 VanDerWaalsContact C-N 3.26Å; D225-T227 HydrophobicContact CB-CG2 4.43Å; D225-T227 PolarHBondContact O-N 3.02Å; T227-A229 PolarHBondContact O-N 3.23Å | ||
| 228 | D | 57 | Low | 55 | Low | 157 Ų | 157 | 135.9 Ų | 135.9 | 84% | 0.84 | 74% | 0.743 | S | S | * | * | trans | -64.6 | 78.7 | 160.4 | -78.9 | -53.6 | 0 | 0 | 0 | 109.3 | D226 | D226-D228 PolarHBondContact O-N 3.43Š| ||
| 229 | A | 61.2 | Low | 55.2 | Low | 78 Ų | 78 | 141.4 Ų | 141.4 | 65% | 0.645 | 75% | 0.752 | S | S | * | * | trans | -78.3 | 123.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | T227 L231 | T227-A229 PolarHBondContact O-N 3.23Å; A229-L231 PolarHBondContact O-N 2.92Å | ||
| 230 | P | 69.3 | Low | 55.3 | Low | 121 Ų | 121 | 141.3 Ų | 141.3 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | trans | -59.9 | 129.6 | 174.3 | 24.5 | -31.8 | 0 | 0 | 0 | 109.3 | D232 | P230-D232 PolarHBondContact O-N 3.05Š| ||
| 231 | L | 57.1 | Low | 55.3 | Low | 151 Ų | 151 | 142.5 Ų | 142.5 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | trans | -59.6 | 104.8 | 173.9 | -66.3 | 172.8 | 0 | 0 | 0 | 108.8 | A229 F233 | A229-L231 PolarHBondContact O-N 2.92Å; L231-F233 WeakPolarHBondContact O-CD2 3.49Å; L231-F233 PolarHBondContact O-N 3.35Å | ||
| 232 | D | 67.9 | Low | 55.3 | Low | 147 Ų | 147 | 143 Ų | 143 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | trans | -73.1 | 112.1 | 174.9 | 179.3 | 17.6 | 0 | 0 | 0 | 109.5 | P230 G234 | P230-D232 PolarHBondContact O-N 3.05Å; D232-G234 PolarHBondContact O-N 3.22Å; D232-G234 VanDerWaalsContact O-N 3.1Å; D232-G234 PolarHBondContact OD1-N 3.39Å; D232-G234 VanDerWaalsContact OD1-N 3.1Å | ||
| 233 | F | 61.4 | Low | 55 | Low | 162 Ų | 162 | 139 Ų | 139 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | trans | -75.8 | 20.3 | 176 | -68.3 | -83.3 | 0 | 0 | 0 | 113.1 | L231 F235 M236 | L231-F233 WeakPolarHBondContact O-CD2 3.49Å; L231-F233 PolarHBondContact O-N 3.35Å; F233-F235 PolarHBondContact O-N 3Å; F233-M236 PolarHBondContact O-N 3Å | ||
| 234 | G | 58.5 | Low | 54.9 | Low | 22 Ų | 22 | 134.4 Ų | 134.4 | 23% | 0.227 | 76% | 0.76 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -57.2 | -4.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116 | D232 M236 | D232-G234 PolarHBondContact O-N 3.22Å; D232-G234 VanDerWaalsContact O-N 3.1Å; D232-G234 PolarHBondContact OD1-N 3.39Å; D232-G234 VanDerWaalsContact OD1-N 3.1Å; G234-M236 VanDerWaalsContact C-N 3.31Å |
| 235 | F | 63.2 | Low | 54.3 | Low | 187 Ų | 187 | 131.9 Ų | 131.9 | 82% | 0.82 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -28.3 | 166.1 | 159.6 | -104.2 | 0 | 0 | 0 | 113.1 | F233 | F233-F235 PolarHBondContact O-N 3Š|
| 236 | M | 56.7 | Low | 53.6 | Low | 154 Ų | 154 | 133.1 Ų | 133.1 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -80 | -17.4 | 179.9 | -64.7 | -169.6 | 80.3 | 0 | 0 | 113.9 | F233 G234 | F233-M236 PolarHBondContact O-N 3Å; G234-M236 VanDerWaalsContact C-N 3.31Å |
| 237 | D | 61.5 | Low | 53.6 | Low | 143 Ų | 143 | 130.3 Ų | 130.3 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -97.4 | -5.6 | -176.7 | -80.4 | -30.2 | 0 | 0 | 0 | 114.3 | R239 | D237-R239 PolarHBondContact O-N 3.4Š|
| 238 | K | 53.5 | Low | 53 | Low | 180 Ų | 180 | 133.1 Ų | 133.1 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | -79.9 | 87.3 | 176 | -68.1 | -161.9 | -178.4 | -174.8 | 0 | 111 | P240 | K238-P240 WeakPolarHBondContact O-CD 3.39Š| ||
| 239 | R | 50.9 | Low | 52.2 | Low | 230 Ų | 230 | 129.1 Ų | 129.1 | 87% | 0.868 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 121.9 | 160.7 | -69.2 | -165.1 | -172 | -153.4 | 3.5 | 109.1 | D237 S241 | D237-R239 PolarHBondContact O-N 3.4Å; R239-S241 PolarHBondContact O-N 3.41Å; R239-S241 VanDerWaalsContact O-N 3.15Å |
| 240 | P | 52.9 | Low | 51.2 | Low | 125 Ų | 125 | 130.7 Ų | 130.7 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 117.7 | 169.8 | 24.5 | -29.1 | 0 | 0 | 0 | 108.7 | K238 | K238-P240 WeakPolarHBondContact O-CD 3.39Š|
| 241 | S | 47.2 | Very low | 50 | Low | 110 Ų | 110 | 129.6 Ų | 129.6 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 135.2 | 171.7 | -70.7 | 0 | 0 | 0 | 0 | 109.5 | R239 A243 | R239-S241 PolarHBondContact O-N 3.41Å; R239-S241 VanDerWaalsContact O-N 3.15Å; S241-A243 PolarHBondContact O-N 3.09Å |
| 242 | P | 44.9 | Very low | 49.4 | Very low | 132 Ų | 132 | 125.5 Ų | 125.5 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | trans | -79.6 | 110.9 | -177 | 31.2 | -30.8 | 0 | 0 | 0 | 109.4 | ||||
| 243 | A | 43.7 | Very low | 48.3 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | -98.9 | 103.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | S241 | S241-A243 PolarHBondContact O-N 3.09Š| ||
| 244 | G | 40.7 | Very low | 48 | Very low | 80 Ų | 80 | 124.8 Ų | 124.8 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | 87.1 | 125.5 | 149.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 245 | G | 39.8 | Very low | 47.9 | Very low | 70 Ų | 70 | 126.2 Ų | 126.2 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | 112.5 | 83.6 | 149.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 246 | D | 37 | Very low | 47.5 | Very low | 168 Ų | 168 | 121.3 Ų | 121.3 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | trans | 24.3 | 105.9 | 134.1 | -48 | -42.1 | 0 | 0 | 0 | 118.3 | ||||
| 247 | A | 48.9 | Very low | 47.3 | Very low | 98 Ų | 98 | 120.7 Ų | 120.7 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | trans | 172.1 | 130.1 | 133.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | G249 | A247-G249 PolarHBondContact O-N 3.31Š| ||
| 248 | D | 38.8 | Very low | 47.3 | Very low | 177 Ų | 177 | 118.7 Ų | 118.7 | 95% | 0.947 | 75% | 0.747 | S | S | * | * | trans | -49.7 | 124.6 | 174.7 | -61.6 | -68.7 | 0 | 0 | 0 | 113.5 | ||||
| 249 | G | 40.9 | Very low | 47.4 | Very low | 73 Ų | 73 | 115 Ų | 115 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | trans | 172.9 | 99.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A247 A251 | A247-G249 PolarHBondContact O-N 3.31Å; G249-A251 PolarHBondContact O-N 3.03Å | ||
| 250 | A | 39.3 | Very low | 47.6 | Very low | 112 Ų | 112 | 107.2 Ų | 107.2 | 93% | 0.926 | 71% | 0.712 | S | S | * | * | trans | -64.1 | 115.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 251 | A | 45 | Very low | 47.8 | Very low | 97 Ų | 97 | 104.8 Ų | 104.8 | 80% | 0.802 | 70% | 0.702 | S | S | * | * | trans | -166.6 | 88.7 | 158.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | G249 | G249-A251 PolarHBondContact O-N 3.03Š| ||
| 252 | G | 44.1 | Very low | 48.4 | Very low | 65 Ų | 65 | 102.7 Ų | 102.7 | 67% | 0.67 | 69% | 0.692 | S | S | * | * | 75 | 97.9 | 61.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | Y254 | G252-Y254 PolarHBondContact O-N 3.47Š| |||
| 253 | L | 44.7 | Very low | 49.1 | Very low | 188 Ų | 188 | 103.4 Ų | 103.4 | 98% | 0.984 | 69% | 0.689 | S | S | * | * | trans | -48 | 99.2 | 178.3 | -67.6 | 160.7 | 0 | 0 | 0 | 110.2 | ||||
| 254 | Y | 55.8 | Low | 49.7 | Very low | 106 Ų | 106 | 104 Ų | 104 | 42% | 0.416 | 68% | 0.677 | S | S | . | * | trans | -79.1 | 123.3 | -171 | -162.9 | -121.3 | 0 | 0 | 0 | 109.7 | G252 E258 M259 | G252-Y254 PolarHBondContact O-N 3.47Å; Y254-E258 HydrophobicContact CD1-CB 4.24Å; Y254-E258 HydrophobicContact CD2-CB 3.89Å; Y254-E258 HydrophobicContact CD2-CG 4.01Å; Y254-E258 WeakPolarHBondContact CD2-OE2 3.35Å; Y254-E258 VanDerWaalsContact CE1-C 3.41Å; Y254-E258 HydrophobicContact CE1-CB 3.84Å; Y254-E258 HydrophobicContact CE1-CG 4.46Å; Y254-E258 HydrophobicContact CE2-CB 3.43Å; Y254-E258 VanDerWaalsContact CE2-CB 3.43Å; Y254-E258 HydrophobicContact CE2-CG 3.27Å; Y254-E258 VanDerWaalsContact CE2-OE2 3.24Å; Y254-E258 WeakPolarHBondContact CE2-OE2 3.4Å; Y254-E258 HydrophobicContact CG-CB 4.27Å; Y254-E258 PolarHBondContact OH-O 3.33Å; Y254-M259 HydrophobicContact CD1-CB 4.1Å; Y254-M259 HydrophobicContact CD1-CE 4.21Å; Y254-M259 HydrophobicContact CD1-CG 3.75Å; Y254-M259 HydrophobicContact CE1-CB 3.74Å; Y254-M259 HydrophobicContact CE1-CG 3.55Å | ||
| 255 | S | 55.4 | Low | 49.8 | Very low | 53 Ų | 53 | 102.8 Ų | 102.8 | 37% | 0.371 | 66% | 0.664 | S | S | . | * | trans | -66.6 | 136.3 | 179.7 | -180 | 0 | 0 | 0 | 0 | 109.4 | F257 E258 | S255-F257 PolarHBondContact O-N 2.9Å; S255-E258 VanDerWaalsContact O-CB 3.31Å; S255-E258 WeakPolarHBondContact O-CB 3.22Å; S255-E258 PolarHBondContact O-N 3.24Å | ||
| 256 | P | 55.9 | Low | 50.1 | Low | 83 Ų | 83 | 107.4 Ų | 107.4 | 54% | 0.539 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -52.5 | -24.2 | 175.8 | -28.2 | 35.1 | 0 | 0 | 0 | 114.3 | V260 | P256-V260 WeakPolarHBondContact O-CG2 3.48Å |
| 257 | F | 52.4 | Low | 50.7 | Low | 142 Ų | 142 | 105.4 Ų | 105.4 | 62% | 0.623 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -70.3 | -29.2 | 174 | -67.3 | -81.6 | 0 | 0 | 0 | 113.5 | S255 A261 | S255-F257 PolarHBondContact O-N 2.9Å; F257-A261 PolarHBondContact O-N 3.49Å; F257-A261 VanDerWaalsContact O-N 3.17Å |
| 258 | E | 60.4 | Low | 50.3 | Low | 100 Ų | 100 | 108 Ų | 108 | 47% | 0.467 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -78.3 | -35.9 | -176.7 | -144.5 | 176.5 | 175.9 | 0 | 0 | 110.5 | Y254 S255 V260 A261 A262 | Y254-E258 HydrophobicContact CD1-CB 4.24Å; Y254-E258 HydrophobicContact CD2-CB 3.89Å; Y254-E258 HydrophobicContact CD2-CG 4.01Å; Y254-E258 WeakPolarHBondContact CD2-OE2 3.35Å; Y254-E258 VanDerWaalsContact CE1-C 3.41Å; Y254-E258 HydrophobicContact CE1-CB 3.84Å; Y254-E258 HydrophobicContact CE1-CG 4.46Å; Y254-E258 HydrophobicContact CE2-CB 3.43Å; Y254-E258 VanDerWaalsContact CE2-CB 3.43Å; Y254-E258 HydrophobicContact CE2-CG 3.27Å; Y254-E258 VanDerWaalsContact CE2-OE2 3.24Å; Y254-E258 WeakPolarHBondContact CE2-OE2 3.4Å; Y254-E258 HydrophobicContact CG-CB 4.27Å; Y254-E258 PolarHBondContact OH-O 3.33Å; S255-E258 VanDerWaalsContact O-CB 3.31Å; S255-E258 WeakPolarHBondContact O-CB 3.22Å; S255-E258 PolarHBondContact O-N 3.24Å; E258-V260 VanDerWaalsContact C-N 3.31Å; E258-V260 PolarHBondContact O-N 3.33Å; E258-A261 WeakPolarHBondContact O-CB 3.46Å; E258-A261 PolarHBondContact O-N 3.34Å; E258-A262 PolarHBondContact O-N 3.5Å |
| 259 | M | 55.9 | Low | 50.4 | Low | 102 Ų | 102 | 104.3 Ų | 104.3 | 50% | 0.502 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -60.7 | -39.4 | 171.7 | -115.4 | 177.9 | -56.3 | 0 | 0 | 112.3 | Y254 A262 D263 | Y254-M259 HydrophobicContact CD1-CB 4.1Å; Y254-M259 HydrophobicContact CD1-CE 4.21Å; Y254-M259 HydrophobicContact CD1-CG 3.75Å; Y254-M259 HydrophobicContact CE1-CB 3.74Å; Y254-M259 HydrophobicContact CE1-CG 3.55Å; M259-A262 PolarHBondContact O-N 2.95Å; M259-D263 PolarHBondContact O-N 3.44Å; M259-D263 VanDerWaalsContact O-N 3.12Å |
| 260 | V | 56.7 | Low | 50.7 | Low | 68 Ų | 68 | 106.7 Ų | 106.7 | 41% | 0.412 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -74.7 | -29.6 | 178.4 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | P256 E258 L264 | P256-V260 WeakPolarHBondContact O-CG2 3.48Å; E258-V260 VanDerWaalsContact C-N 3.31Å; E258-V260 PolarHBondContact O-N 3.33Å; V260-L264 HydrophobicContact CG1-CD1 3.64Å; V260-L264 HydrophobicContact CG1-CG 4.41Å; V260-L264 WeakPolarHBondContact O-CB 3.35Å; V260-L264 WeakPolarHBondContact O-CG 3.49Å; V260-L264 PolarHBondContact O-N 2.95Å; V260-L264 VanDerWaalsContact O-N 3.09Å |
| 261 | A | 56.7 | Low | 50.9 | Low | 73 Ų | 73 | 107.8 Ų | 107.8 | 60% | 0.603 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -71.6 | -29.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F257 E258 | F257-A261 PolarHBondContact O-N 3.49Å; F257-A261 VanDerWaalsContact O-N 3.17Å; E258-A261 WeakPolarHBondContact O-CB 3.46Å; E258-A261 PolarHBondContact O-N 3.34Å |
| 262 | A | 58.9 | Low | 51.1 | Low | 67 Ų | 67 | 109 Ų | 109 | 55% | 0.554 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -76.9 | -32.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E258 M259 | E258-A262 PolarHBondContact O-N 3.5Å; M259-A262 PolarHBondContact O-N 2.95Å |
| 263 | D | 59.2 | Low | 51.2 | Low | 147 Ų | 147 | 112.2 Ų | 112.2 | 79% | 0.786 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -86.8 | -19.3 | 180 | -84.5 | -13.5 | 0 | 0 | 0 | 114.1 | M259 G265 | M259-D263 PolarHBondContact O-N 3.44Å; M259-D263 VanDerWaalsContact O-N 3.12Å; D263-G265 VanDerWaalsContact C-N 3.34Å; D263-G265 PolarHBondContact O-N 2.99Å |
| 264 | L | 58.3 | Low | 51.1 | Low | 115 Ų | 115 | 108.9 Ų | 108.9 | 60% | 0.602 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -91.4 | 70.1 | 171.3 | -73.4 | 165.5 | 0 | 0 | 0 | 109.9 | V260 D266 | V260-L264 HydrophobicContact CG1-CD1 3.64Å; V260-L264 HydrophobicContact CG1-CG 4.41Å; V260-L264 WeakPolarHBondContact O-CB 3.35Å; V260-L264 WeakPolarHBondContact O-CG 3.49Å; V260-L264 PolarHBondContact O-N 2.95Å; V260-L264 VanDerWaalsContact O-N 3.09Å; L264-D266 PolarHBondContact O-N 2.95Å |
| 265 | G | 42.4 | Very low | 50.6 | Low | 55 Ų | 55 | 111 Ų | 111 | 57% | 0.567 | 64% | 0.642 | S | S | * | * | trans | -54 | 123.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D263 V267 | D263-G265 VanDerWaalsContact C-N 3.34Å; D263-G265 PolarHBondContact O-N 2.99Å; G265-V267 PolarHBondContact O-N 2.67Å | ||
| 266 | D | 46 | Very low | 50 | Low | 166 Ų | 166 | 114.4 Ų | 114.4 | 89% | 0.888 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 45.3 | 50.5 | 139.9 | -115.8 | 2.8 | 0 | 0 | 0 | 117.1 | L264 | L264-D266 PolarHBondContact O-N 2.95Š|
| 267 | V | 48.2 | Very low | 49.5 | Very low | 126 Ų | 126 | 116.7 Ų | 116.7 | 76% | 0.764 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -139.2 | 109.4 | 161.9 | -73.1 | 0 | 0 | 0 | 0 | 109.7 | G265 | G265-V267 PolarHBondContact O-N 2.67Š|
| 268 | D | 42.4 | Very low | 48.7 | Very low | 154 Ų | 154 | 120.9 Ų | 120.9 | 82% | 0.824 | 69% | 0.688 | S | S | * | * | trans | 55.9 | 65.3 | 178.5 | -63 | -31.1 | 0 | 0 | 0 | 115.8 | V270 | D268-V270 PolarHBondContact O-N 2.8Š| ||
| 269 | A | 39.1 | Very low | 47.6 | Very low | 98 Ų | 98 | 119.3 Ų | 119.3 | 81% | 0.81 | 70% | 0.698 | S | S | * | * | trans | -60 | 77.7 | 147.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | E271 | A269-E271 PolarHBondContact O-N 3.1Š| ||
| 270 | V | 47.9 | Very low | 47.1 | Very low | 124 Ų | 124 | 120.3 Ų | 120.3 | 75% | 0.752 | 72% | 0.716 | S | S | * | * | trans | -70.6 | 84.3 | 154.2 | -179.1 | 0 | 0 | 0 | 0 | 105.3 | D268 M272 | D268-V270 PolarHBondContact O-N 2.8Å; V270-M272 PolarHBondContact O-N 3.4Å | ||
| 271 | E | 44.4 | Very low | 46.2 | Very low | 135 Ų | 135 | 126.4 Ų | 126.4 | 63% | 0.631 | 74% | 0.739 | S | S | * | * | trans | -16.7 | 93.3 | 158.7 | -165.2 | -176.5 | 159.3 | 0 | 0 | 110.9 | A269 Q273 | A269-E271 PolarHBondContact O-N 3.1Å; E271-Q273 HydrophobicContact CG-CG 3.69Å; E271-Q273 PolarHBondContact O-N 2.98Å; E271-Q273 WeakPolarHBondContact OE1-CG 3.48Å; E271-Q273 PolarHBondContact OE1-NE2 3.45Å | ||
| 272 | M | 48.8 | Very low | 45.5 | Very low | 121 Ų | 121 | 126.4 Ų | 126.4 | 60% | 0.596 | 75% | 0.747 | S | S | * | * | trans | -70.4 | 82 | 162.2 | -84.3 | -77.6 | -174.6 | 0 | 0 | 105.3 | V270 R296 | V270-M272 PolarHBondContact O-N 3.4Å; M272-R296 HydrophobicContact CE-CG 4.46Å; M272-R296 PolarHBondContact SD-NH2 3.34Å | ||
| 273 | Q | 46.3 | Very low | 44.7 | Very low | 133 Ų | 133 | 128.9 Ų | 128.9 | 62% | 0.621 | 77% | 0.767 | S | S | * | * | trans | -51.9 | 133.2 | 179.6 | -82.1 | -161.4 | 4.2 | 0 | 0 | 109.5 | E271 L275 | E271-Q273 HydrophobicContact CG-CG 3.69Å; E271-Q273 PolarHBondContact O-N 2.98Å; E271-Q273 WeakPolarHBondContact OE1-CG 3.48Å; E271-Q273 PolarHBondContact OE1-NE2 3.45Å; Q273-L275 PolarHBondContact O-N 3.16Å | ||
| 274 | P | 42.2 | Very low | 44.2 | Very low | 118 Ų | 118 | 125.1 Ų | 125.1 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | trans | -58.7 | 133.4 | 172.6 | -13.8 | 26.9 | 0 | 0 | 0 | 108.6 | ||||
| 275 | L | 46.2 | Very low | 44 | Very low | 152 Ų | 152 | 126.6 Ų | 126.6 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | trans | -18.9 | 117.4 | 170.8 | -151.5 | 96.7 | 0 | 0 | 0 | 113.8 | Q273 T277 | Q273-L275 PolarHBondContact O-N 3.16Å; L275-T277 PolarHBondContact O-N 3Å; L275-T277 VanDerWaalsContact O-N 3.16Å | ||
| 276 | P | 42.2 | Very low | 44.7 | Very low | 123 Ų | 123 | 128.9 Ų | 128.9 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | trans | -64.4 | 122.5 | 166.5 | 24.8 | -29.5 | 0 | 0 | 0 | 108.4 | Y278 | P276-Y278 PolarHBondContact O-N 3.19Š| ||
| 277 | T | 44.5 | Very low | 45.7 | Very low | 132 Ų | 132 | 124.3 Ų | 124.3 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | trans | -61.8 | 127.5 | 176 | -63.4 | 0 | 0 | 0 | 0 | 109.8 | L275 | L275-T277 PolarHBondContact O-N 3Å; L275-T277 VanDerWaalsContact O-N 3.16Å | ||
| 278 | Y | 36.8 | Very low | 46.8 | Very low | 230 Ų | 230 | 121.4 Ų | 121.4 | 90% | 0.902 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 7.6 | 116.8 | 161.4 | -156 | -95.4 | 0 | 0 | 0 | 118.2 | P276 | P276-Y278 PolarHBondContact O-N 3.19Š|
| 279 | G | 36.7 | Very low | 48.4 | Very low | 66 Ų | 66 | 117.1 Ų | 117.1 | 68% | 0.68 | 73% | 0.728 | S | S | * | * | trans | 161.7 | 127.3 | 156.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 280 | S | 45.5 | Very low | 50.1 | Low | 124 Ų | 124 | 116.9 Ų | 116.9 | 87% | 0.867 | 71% | 0.712 | S | S | * | * | trans | 92.2 | 98.5 | 164.9 | -153.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 281 | E | 37.4 | Very low | 51.7 | Low | 195 Ų | 195 | 116.8 Ų | 116.8 | 91% | 0.911 | 70% | 0.703 | S | S | * | * | trans | -19.6 | 121.8 | 152.7 | -49 | -172 | 148.4 | 0 | 0 | 115 | ||||
| 282 | G | 42.7 | Very low | 53.4 | Low | 73 Ų | 73 | 113.2 Ų | 113.2 | 75% | 0.753 | 69% | 0.687 | S | S | * | * | trans | -177 | 96.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | G284 | G282-G284 PolarHBondContact O-N 2.9Š| ||
| 283 | A | 41.2 | Very low | 55.1 | Low | 119 Ų | 119 | 111.9 Ų | 111.9 | 98% | 0.983 | 69% | 0.685 | S | S | * | * | trans | -59.9 | 99.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 284 | G | 48.6 | Very low | 56.8 | Low | 68 Ų | 68 | 110.2 Ų | 110.2 | 70% | 0.701 | 68% | 0.678 | S | S | * | * | trans | -146.7 | 93.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G282 | G282-G284 PolarHBondContact O-N 2.9Š| ||
| 285 | E | 54 | Low | 58.8 | Low | 146 Ų | 146 | 110.7 Ų | 110.7 | 68% | 0.682 | 67% | 0.668 | S | S | * | * | trans | 40.8 | 106.8 | 164.7 | -73.8 | -143 | 116.9 | 0 | 0 | 121 | S287 A288 | E285-S287 PolarHBondContact O-N 3.06Å; E285-A288 PolarHBondContact O-N 2.99Å | ||
| 286 | P | 58.7 | Low | 60.8 | Low | 104 Ų | 104 | 109.2 Ų | 109.2 | 68% | 0.675 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -62.1 | -14.8 | 167.7 | 26.9 | -34.7 | 0 | 0 | 0 | 113.7 | I290 | P286-I290 WeakPolarHBondContact O-CD1 3.45Å; P286-I290 VanDerWaalsContact O-CG1 3.27Å; P286-I290 WeakPolarHBondContact O-CG1 3.48Å; P286-I290 PolarHBondContact O-N 3.17Å |
| 287 | S | 65.1 | Low | 62.6 | Low | 70 Ų | 70 | 106.5 Ų | 106.5 | 49% | 0.49 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -64 | -40.4 | -178.1 | -166.4 | 0 | 0 | 0 | 0 | 112.9 | E285 I290 H291 | E285-S287 PolarHBondContact O-N 3.06Å; S287-I290 PolarHBondContact O-N 3.29Å; S287-H291 WeakPolarHBondContact O-CB 3.45Å; S287-H291 PolarHBondContact O-N 3.29Å |
| 288 | A | 72.5 | Confident | 64.5 | Low | 65 Ų | 65 | 107.2 Ų | 107.2 | 54% | 0.537 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -68.3 | -40.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E285 H291 E292 | E285-A288 PolarHBondContact O-N 2.99Å; A288-H291 PolarHBondContact O-N 3.13Å; A288-E292 PolarHBondContact O-N 3Å |
| 289 | A | 75 | Confident | 66.7 | Low | 63 Ų | 63 | 103.1 Ų | 103.1 | 52% | 0.521 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.7 | -41.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E292 V293 | A289-E292 PolarHBondContact O-N 2.8Å; A289-V293 WeakPolarHBondContact O-CG2 3.32Å; A289-V293 PolarHBondContact O-N 3.46Å; A289-V293 VanDerWaalsContact O-N 3.08Å |
| 290 | I | 76.2 | Confident | 69.2 | Low | 94 Ų | 94 | 105.2 Ų | 105.2 | 48% | 0.482 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.4 | -43.3 | 176.4 | -65.5 | 165 | 0 | 0 | 0 | 110.9 | P286 S287 E292 V293 M294 | P286-I290 WeakPolarHBondContact O-CD1 3.45Å; P286-I290 VanDerWaalsContact O-CG1 3.27Å; P286-I290 WeakPolarHBondContact O-CG1 3.48Å; P286-I290 PolarHBondContact O-N 3.17Å; S287-I290 PolarHBondContact O-N 3.29Å; I290-E292 VanDerWaalsContact C-N 3.32Å; I290-E292 PolarHBondContact O-N 2.93Å; I290-V293 PolarHBondContact O-N 3.37Å; I290-M294 HydrophobicContact CG2-CE 4.2Å; I290-M294 HydrophobicContact CG2-CG 4.43Å; I290-M294 WeakPolarHBondContact O-CG 3.46Å; I290-M294 PolarHBondContact O-N 3.38Å |
| 291 | H | 80 | Confident | 71.2 | Confident | 122 Ų | 122 | 106.6 Ų | 106.6 | 57% | 0.565 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -60.2 | -41.9 | 177.8 | -179.5 | -95.9 | 0 | 0 | 0 | 111.8 | S287 A288 M294 K295 | S287-H291 WeakPolarHBondContact O-CB 3.45Å; S287-H291 PolarHBondContact O-N 3.29Å; A288-H291 PolarHBondContact O-N 3.13Å; H291-M294 PolarHBondContact O-N 2.98Å; H291-K295 WeakPolarHBondContact O-CB 3.49Å; H291-K295 PolarHBondContact O-N 3.13Å |
| 292 | E | 81.9 | Confident | 73.4 | Confident | 60 Ų | 60 | 104.8 Ų | 104.8 | 28% | 0.28 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.3 | -40.7 | 177.9 | -168 | 56.4 | -147.9 | 0 | 0 | 112.3 | A288 A289 I290 M294 K295 R296 | A288-E292 PolarHBondContact O-N 3Å; A289-E292 PolarHBondContact O-N 2.8Å; I290-E292 VanDerWaalsContact C-N 3.32Å; I290-E292 PolarHBondContact O-N 2.93Å; E292-M294 VanDerWaalsContact C-N 3.35Å; E292-M294 PolarHBondContact O-N 3.44Å; E292-K295 WeakPolarHBondContact O-CB 3.39Å; E292-K295 PolarHBondContact O-N 2.86Å; E292-R296 PolarHBondContact O-N 2.84Å |
| 293 | V | 83.7 | Confident | 75.3 | Confident | 92 Ų | 92 | 103.5 Ų | 103.5 | 56% | 0.558 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.6 | -43.1 | 172.8 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | A289 I290 K295 R296 M297 | A289-V293 WeakPolarHBondContact O-CG2 3.32Å; A289-V293 PolarHBondContact O-N 3.46Å; A289-V293 VanDerWaalsContact O-N 3.08Å; I290-V293 PolarHBondContact O-N 3.37Å; V293-K295 VanDerWaalsContact C-N 3.32Å; V293-K295 PolarHBondContact O-N 3.5Å; V293-R296 PolarHBondContact O-N 2.87Å; V293-M297 WeakPolarHBondContact O-CB 3.33Å; V293-M297 PolarHBondContact O-N 2.82Å |
| 294 | M | 82.3 | Confident | 77.5 | Confident | 99 Ų | 99 | 101.1 Ų | 101.1 | 49% | 0.488 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.7 | -37 | 176.1 | -75 | -166.5 | 171.3 | 0 | 0 | 112.4 | I290 H291 E292 M297 K298 | I290-M294 HydrophobicContact CG2-CE 4.2Å; I290-M294 HydrophobicContact CG2-CG 4.43Å; I290-M294 WeakPolarHBondContact O-CG 3.46Å; I290-M294 PolarHBondContact O-N 3.38Å; H291-M294 PolarHBondContact O-N 2.98Å; E292-M294 VanDerWaalsContact C-N 3.35Å; E292-M294 PolarHBondContact O-N 3.44Å; M294-M297 PolarHBondContact O-N 3.15Å; M294-K298 WeakPolarHBondContact O-CG 3.38Å; M294-K298 PolarHBondContact O-N 2.82Å |
| 295 | K | 83.5 | Confident | 78.9 | Confident | 127 Ų | 127 | 100.8 Ų | 100.8 | 55% | 0.552 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.8 | -45.8 | 176.9 | -168.7 | -179.3 | 177.8 | -172.1 | 0 | 111.3 | H291 E292 V293 K298 Y299 | H291-K295 WeakPolarHBondContact O-CB 3.49Å; H291-K295 PolarHBondContact O-N 3.13Å; E292-K295 WeakPolarHBondContact O-CB 3.39Å; E292-K295 PolarHBondContact O-N 2.86Å; V293-K295 VanDerWaalsContact C-N 3.32Å; V293-K295 PolarHBondContact O-N 3.5Å; K295-K298 PolarHBondContact O-N 3.39Å; K295-Y299 PolarHBondContact O-N 2.89Å; K295-Y299 VanDerWaalsContact O-N 3.13Å |
| 296 | R | 88.2 | Confident | 80.2 | Confident | 121 Ų | 121 | 97.1 Ų | 97.1 | 46% | 0.457 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.5 | -47.4 | 173.8 | -72.1 | -176.3 | -178.4 | 143.8 | 0.6 | 112 | M272 E292 V293 K298 Y299 E300 | M272-R296 HydrophobicContact CE-CG 4.46Å; M272-R296 PolarHBondContact SD-NH2 3.34Å; E292-R296 PolarHBondContact O-N 2.84Å; V293-R296 PolarHBondContact O-N 2.87Å; R296-K298 VanDerWaalsContact C-N 3.3Å; R296-K298 PolarHBondContact O-N 3.46Å; R296-Y299 WeakPolarHBondContact O-CB 3.17Å; R296-Y299 PolarHBondContact O-N 3.09Å; R296-E300 PolarHBondContact O-N 3.38Å |
| 297 | M | 79.4 | Confident | 81.1 | Confident | 66 Ų | 66 | 96.7 Ų | 96.7 | 33% | 0.325 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.1 | -36.6 | 179.2 | -172.1 | -178.6 | 64.9 | 0 | 0 | 112.7 | V293 M294 R301 | V293-M297 WeakPolarHBondContact O-CB 3.33Å; V293-M297 PolarHBondContact O-N 2.82Å; M294-M297 PolarHBondContact O-N 3.15Å; M297-R301 VanDerWaalsContact CE-CZ 3.49Å; M297-R301 VanDerWaalsContact CE-NH2 3.3Å; M297-R301 WeakPolarHBondContact O-CB 3.45Å; M297-R301 WeakPolarHBondContact O-CG 3.45Å; M297-R301 PolarHBondContact O-N 2.8Å; M297-R301 VanDerWaalsContact SD-CZ 3.53Å; M297-R301 PolarHBondContact SD-NH2 2.84Å |
| 298 | K | 84.9 | Confident | 81.9 | Confident | 148 Ų | 148 | 101.8 Ų | 101.8 | 64% | 0.643 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65 | -42.8 | 173.4 | -77.9 | 177 | -178 | 177.9 | 0 | 111.9 | M294 K295 R296 K302 | M294-K298 WeakPolarHBondContact O-CG 3.38Å; M294-K298 PolarHBondContact O-N 2.82Å; K295-K298 PolarHBondContact O-N 3.39Å; R296-K298 VanDerWaalsContact C-N 3.3Å; R296-K298 PolarHBondContact O-N 3.46Å; K298-K302 WeakPolarHBondContact O-CB 3.43Å; K298-K302 PolarHBondContact O-N 2.81Å |
| 299 | Y | 84.4 | Confident | 82.2 | Confident | 144 Ų | 144 | 101.2 Ų | 101.2 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.2 | -48.7 | 178.5 | -177.6 | -101.4 | 0 | 0 | 0 | 111.5 | K295 R296 R301 K302 I303 | K295-Y299 PolarHBondContact O-N 2.89Å; K295-Y299 VanDerWaalsContact O-N 3.13Å; R296-Y299 WeakPolarHBondContact O-CB 3.17Å; R296-Y299 PolarHBondContact O-N 3.09Å; Y299-R301 PolarHBondContact O-N 3.44Å; Y299-K302 WeakPolarHBondContact O-CB 3.25Å; Y299-K302 PolarHBondContact O-N 3.35Å; Y299-K302 VanDerWaalsContact O-N 3.13Å; Y299-I303 HydrophobicContact CD1-CD1 3.77Å; Y299-I303 HydrophobicContact CD1-CG1 4.48Å; Y299-I303 HydrophobicContact CE1-CD1 3.16Å; Y299-I303 HydrophobicContact CE1-CG1 4.2Å; Y299-I303 HydrophobicContact CE2-CD1 4.19Å; Y299-I303 VanDerWaalsContact CZ-CD1 3.41Å; Y299-I303 PolarHBondContact O-N 2.69Å |
| 300 | E | 87.9 | Confident | 82.2 | Confident | 110 Ų | 110 | 103.9 Ų | 103.9 | 51% | 0.514 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.9 | -48.1 | 176.4 | -72 | 175.8 | 175.5 | 0 | 0 | 111.5 | R296 K302 I303 S304 | R296-E300 PolarHBondContact O-N 3.38Å; E300-K302 VanDerWaalsContact C-N 3.27Å; E300-K302 PolarHBondContact O-N 3.1Å; E300-I303 PolarHBondContact O-N 3.03Å; E300-S304 WeakPolarHBondContact O-CB 3.48Å; E300-S304 PolarHBondContact O-N 3.39Å; E300-S304 PolarHBondContact O-OG 3.36Å |
| 301 | R | 87.3 | Confident | 82.2 | Confident | 153 Ų | 153 | 102.3 Ų | 102.3 | 58% | 0.577 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.6 | -38.9 | 175.6 | -75.7 | 176.1 | -172.5 | 165 | -1.1 | 112.5 | M297 Y299 A305 | M297-R301 VanDerWaalsContact CE-CZ 3.49Å; M297-R301 VanDerWaalsContact CE-NH2 3.3Å; M297-R301 WeakPolarHBondContact O-CB 3.45Å; M297-R301 WeakPolarHBondContact O-CG 3.45Å; M297-R301 PolarHBondContact O-N 2.8Å; M297-R301 VanDerWaalsContact SD-CZ 3.53Å; M297-R301 PolarHBondContact SD-NH2 2.84Å; Y299-R301 PolarHBondContact O-N 3.44Å; R301-A305 WeakPolarHBondContact O-CB 3.37Å; R301-A305 PolarHBondContact O-N 3.36Å |
| 302 | K | 83.6 | Confident | 82 | Confident | 156 Ų | 156 | 96.9 Ų | 96.9 | 68% | 0.678 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67.5 | -41.1 | 178.5 | -169.1 | 175.7 | -179.9 | -178.2 | 0 | 111.2 | K298 Y299 E300 S306 | K298-K302 WeakPolarHBondContact O-CB 3.43Å; K298-K302 PolarHBondContact O-N 2.81Å; Y299-K302 WeakPolarHBondContact O-CB 3.25Å; Y299-K302 PolarHBondContact O-N 3.35Å; Y299-K302 VanDerWaalsContact O-N 3.13Å; E300-K302 VanDerWaalsContact C-N 3.27Å; E300-K302 PolarHBondContact O-N 3.1Å; K302-S306 WeakPolarHBondContact O-CB 3.44Å; K302-S306 PolarHBondContact O-N 3.18Å; K302-S306 PolarHBondContact O-OG 2.71Å |
| 303 | I | 83.4 | Confident | 81.3 | Confident | 47 Ų | 47 | 96.6 Ų | 96.6 | 24% | 0.241 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -65.4 | -50.6 | 174.3 | -69 | -177.6 | 0 | 0 | 0 | 110.6 | Y299 E300 A305 S306 L307 | Y299-I303 HydrophobicContact CD1-CD1 3.77Å; Y299-I303 HydrophobicContact CD1-CG1 4.48Å; Y299-I303 HydrophobicContact CE1-CD1 3.16Å; Y299-I303 HydrophobicContact CE1-CG1 4.2Å; Y299-I303 HydrophobicContact CE2-CD1 4.19Å; Y299-I303 VanDerWaalsContact CZ-CD1 3.41Å; Y299-I303 PolarHBondContact O-N 2.69Å; E300-I303 PolarHBondContact O-N 3.03Å; I303-A305 VanDerWaalsContact C-N 3.33Å; I303-A305 PolarHBondContact O-N 2.98Å; I303-S306 WeakPolarHBondContact O-CB 3.44Å; I303-S306 PolarHBondContact O-N 3.47Å; I303-S306 VanDerWaalsContact O-N 3.1Å; I303-L307 WeakPolarHBondContact O-CB 3.29Å; I303-L307 PolarHBondContact O-N 2.63Å |
| 304 | S | 87 | Confident | 80.5 | Confident | 68 Ų | 68 | 93.5 Ų | 93.5 | 48% | 0.476 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.6 | -41.5 | -179.8 | -55.5 | 0 | 0 | 0 | 0 | 112 | E300 S306 L307 Y308 | E300-S304 WeakPolarHBondContact O-CB 3.48Å; E300-S304 PolarHBondContact O-N 3.39Å; E300-S304 PolarHBondContact O-OG 3.36Å; S304-S306 VanDerWaalsContact C-N 3.34Å; S304-S306 PolarHBondContact O-N 2.92Å; S304-L307 PolarHBondContact O-N 3.14Å; S304-Y308 WeakPolarHBondContact O-CB 3.17Å; S304-Y308 PolarHBondContact O-N 3.45Å |
| 305 | A | 77 | Confident | 79.8 | Confident | 61 Ų | 61 | 93.9 Ų | 93.9 | 50% | 0.504 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R301 I303 A309 | R301-A305 WeakPolarHBondContact O-CB 3.37Å; R301-A305 PolarHBondContact O-N 3.36Å; I303-A305 VanDerWaalsContact C-N 3.33Å; I303-A305 PolarHBondContact O-N 2.98Å; A305-A309 VanDerWaalsContact O-CB 3.32Å; A305-A309 WeakPolarHBondContact O-CB 3.43Å; A305-A309 PolarHBondContact O-N 3.5Å |
| 306 | S | 81.6 | Confident | 78.7 | Confident | 70 Ų | 70 | 92 Ų | 92 | 49% | 0.49 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.4 | -41.2 | 176.2 | -55.6 | 0 | 0 | 0 | 0 | 111.7 | K302 I303 S304 A309 L310 | K302-S306 WeakPolarHBondContact O-CB 3.44Å; K302-S306 PolarHBondContact O-N 3.18Å; K302-S306 PolarHBondContact O-OG 2.71Å; I303-S306 WeakPolarHBondContact O-CB 3.44Å; I303-S306 PolarHBondContact O-N 3.47Å; I303-S306 VanDerWaalsContact O-N 3.1Å; S304-S306 VanDerWaalsContact C-N 3.34Å; S304-S306 PolarHBondContact O-N 2.92Å; S306-A309 PolarHBondContact O-N 2.95Å; S306-L310 WeakPolarHBondContact O-CB 3.14Å; S306-L310 PolarHBondContact O-N 3.16Å |
| 307 | L | 79.4 | Confident | 77.5 | Confident | 94 Ų | 94 | 88.8 Ų | 88.8 | 49% | 0.492 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.3 | -39.9 | 177 | -174.5 | 65.5 | 0 | 0 | 0 | 111.6 | I303 S304 L310 S311 | I303-L307 WeakPolarHBondContact O-CB 3.29Å; I303-L307 PolarHBondContact O-N 2.63Å; S304-L307 PolarHBondContact O-N 3.14Å; L307-L310 PolarHBondContact O-N 3.31Å; L307-S311 VanDerWaalsContact O-CB 3.25Å; L307-S311 WeakPolarHBondContact O-CB 3.38Å; L307-S311 PolarHBondContact O-N 3.3Å; L307-S311 PolarHBondContact O-OG 3.23Å |
| 308 | Y | 81.3 | Confident | 76.8 | Confident | 177 Ų | 177 | 92.6 Ų | 92.6 | 69% | 0.694 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -69 | -36.1 | 174.1 | -171.8 | -94.1 | 0 | 0 | 0 | 111.7 | S304 G312 | S304-Y308 WeakPolarHBondContact O-CB 3.17Å; S304-Y308 PolarHBondContact O-N 3.45Å; Y308-G312 WeakPolarHBondContact O-CA 3.44Å; Y308-G312 PolarHBondContact O-N 3.41Å |
| 309 | A | 78.4 | Confident | 75.9 | Confident | 54 Ų | 54 | 93 Ų | 93 | 45% | 0.446 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.2 | -45.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | A305 S306 V313 | A305-A309 VanDerWaalsContact O-CB 3.32Å; A305-A309 WeakPolarHBondContact O-CB 3.43Å; A305-A309 PolarHBondContact O-N 3.5Å; S306-A309 PolarHBondContact O-N 2.95Å; A309-V313 WeakPolarHBondContact O-CB 3.17Å; A309-V313 WeakPolarHBondContact O-CG2 2.95Å; A309-V313 PolarHBondContact O-N 2.88Å |
| 310 | L | 74.8 | Confident | 74.8 | Confident | 118 Ų | 118 | 96.8 Ų | 96.8 | 62% | 0.618 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.3 | -46.2 | 179.8 | -170.9 | 66.5 | 0 | 0 | 0 | 112.2 | S306 L307 | S306-L310 WeakPolarHBondContact O-CB 3.14Å; S306-L310 PolarHBondContact O-N 3.16Å; L307-L310 PolarHBondContact O-N 3.31Å |
| 311 | S | 76.6 | Confident | 73.3 | Confident | 61 Ų | 61 | 95.3 Ų | 95.3 | 43% | 0.427 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -74.8 | -44.2 | -178.9 | -50.3 | 0 | 0 | 0 | 0 | 111.4 | L307 V313 S314 E315 | L307-S311 VanDerWaalsContact O-CB 3.25Å; L307-S311 WeakPolarHBondContact O-CB 3.38Å; L307-S311 PolarHBondContact O-N 3.3Å; L307-S311 PolarHBondContact O-OG 3.23Å; S311-V313 PolarHBondContact O-N 2.88Å; S311-S314 PolarHBondContact O-N 2.87Å; S311-S314 PolarHBondContact O-OG 3.22Å; S311-E315 PolarHBondContact O-N 2.95Å |
| 312 | G | 74.6 | Confident | 71.7 | Confident | 8 Ų | 8 | 90 Ų | 90 | 8% | 0.082 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -70.9 | -27 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y308 S314 E315 C316 | Y308-G312 WeakPolarHBondContact O-CA 3.44Å; Y308-G312 PolarHBondContact O-N 3.41Å; G312-S314 VanDerWaalsContact C-N 3.31Å; G312-S314 PolarHBondContact O-N 2.85Å; G312-E315 PolarHBondContact O-N 3.17Å; G312-C316 VanDerWaalsContact O-CB 3.29Å; G312-C316 WeakPolarHBondContact O-CB 3.45Å; G312-C316 PolarHBondContact O-N 3.38Å; G312-C316 PolarHBondContact O-SG 3.12Å |
| 313 | V | 67.7 | Low | 70.4 | Confident | 54 Ų | 54 | 89.8 Ų | 89.8 | 33% | 0.327 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 169.8 | 165 | 0 | 0 | 0 | 0 | 110.4 | A309 S311 E315 C316 L317 L337 | A309-V313 WeakPolarHBondContact O-CB 3.17Å; A309-V313 WeakPolarHBondContact O-CG2 2.95Å; A309-V313 PolarHBondContact O-N 2.88Å; S311-V313 PolarHBondContact O-N 2.88Å; V313-E315 VanDerWaalsContact C-N 3.34Å; V313-E315 PolarHBondContact O-N 2.8Å; V313-C316 PolarHBondContact O-N 3.26Å; V313-L317 HydrophobicContact CG1-CD1 3.62Å; V313-L317 HydrophobicContact CG1-CG 4.24Å; V313-L317 VanDerWaalsContact O-CB 3.32Å; V313-L317 WeakPolarHBondContact O-CB 3.32Å; V313-L317 WeakPolarHBondContact O-CD1 3.24Å; V313-L317 WeakPolarHBondContact O-CG 3.18Å; V313-L317 PolarHBondContact O-N 2.83Å; V313-L337 HydrophobicContact CG1-CD2 4.15Å |
| 314 | S | 68.2 | Low | 69 | Low | 28 Ų | 28 | 89.1 Ų | 89.1 | 20% | 0.196 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -64.5 | -38.2 | 177.6 | 75.2 | 0 | 0 | 0 | 0 | 112.7 | S311 G312 R318 H333 | S311-S314 PolarHBondContact O-N 2.87Å; S311-S314 PolarHBondContact O-OG 3.22Å; G312-S314 VanDerWaalsContact C-N 3.31Å; G312-S314 PolarHBondContact O-N 2.85Å; S314-R318 WeakPolarHBondContact O-CB 3.25Å; S314-R318 PolarHBondContact O-N 2.8Å; S314-H333 VanDerWaalsContact CA-NE2 3.34Å; S314-H333 WeakPolarHBondContact CA-NE2 3.34Å; S314-H333 VanDerWaalsContact CB-NE2 3.25Å; S314-H333 WeakPolarHBondContact CB-NE2 3.46Å |
| 315 | E | 66.6 | Low | 67.7 | Low | 107 Ų | 107 | 93.7 Ų | 93.7 | 50% | 0.5 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72.9 | -42 | 176.9 | -165.8 | 179.8 | -176.9 | 0 | 0 | 112.2 | S311 G312 V313 L317 R318 M319 | S311-E315 PolarHBondContact O-N 2.95Å; G312-E315 PolarHBondContact O-N 3.17Å; V313-E315 VanDerWaalsContact C-N 3.34Å; V313-E315 PolarHBondContact O-N 2.8Å; E315-L317 VanDerWaalsContact C-N 3.29Å; E315-L317 PolarHBondContact O-N 3.38Å; E315-R318 WeakPolarHBondContact O-CB 3.34Å; E315-R318 PolarHBondContact O-N 2.75Å; E315-R318 VanDerWaalsContact O-N 3.14Å; E315-M319 WeakPolarHBondContact O-CG 3.12Å; E315-M319 PolarHBondContact O-N 2.8Å |
| 316 | C | 61.4 | Low | 66.7 | Low | 86 Ų | 86 | 96 Ų | 96 | 58% | 0.581 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.5 | -37.8 | 173.6 | -72.1 | 0 | 0 | 0 | 0 | 111.9 | G312 V313 R320 | G312-C316 VanDerWaalsContact O-CB 3.29Å; G312-C316 WeakPolarHBondContact O-CB 3.45Å; G312-C316 PolarHBondContact O-N 3.38Å; G312-C316 PolarHBondContact O-SG 3.12Å; V313-C316 PolarHBondContact O-N 3.26Å; C316-R320 WeakPolarHBondContact O-CB 3.31Å; C316-R320 PolarHBondContact O-N 3.41Å |
| 317 | L | 62.3 | Low | 65.7 | Low | 55 Ų | 55 | 101.3 Ų | 101.3 | 29% | 0.288 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.9 | -40.7 | 174.3 | -72.8 | 166.5 | 0 | 0 | 0 | 110.9 | V313 E315 R320 V321 | V313-L317 HydrophobicContact CG1-CD1 3.62Å; V313-L317 HydrophobicContact CG1-CG 4.24Å; V313-L317 VanDerWaalsContact O-CB 3.32Å; V313-L317 WeakPolarHBondContact O-CB 3.32Å; V313-L317 WeakPolarHBondContact O-CD1 3.24Å; V313-L317 WeakPolarHBondContact O-CG 3.18Å; V313-L317 PolarHBondContact O-N 2.83Å; E315-L317 VanDerWaalsContact C-N 3.29Å; E315-L317 PolarHBondContact O-N 3.38Å; L317-R320 PolarHBondContact O-N 3.12Å; L317-V321 WeakPolarHBondContact O-CG2 3.46Å; L317-V321 PolarHBondContact O-N 3.3Å; L317-V321 VanDerWaalsContact O-N 3.12Å |
| 318 | R | 65 | Low | 64.8 | Low | 146 Ų | 146 | 99.7 Ų | 99.7 | 55% | 0.551 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.7 | -45.6 | 175.8 | -162.1 | -178.8 | -63.7 | 126.3 | 1.4 | 111.9 | S314 E315 R320 V321 G322 | S314-R318 WeakPolarHBondContact O-CB 3.25Å; S314-R318 PolarHBondContact O-N 2.8Å; E315-R318 WeakPolarHBondContact O-CB 3.34Å; E315-R318 PolarHBondContact O-N 2.75Å; E315-R318 VanDerWaalsContact O-N 3.14Å; R318-R320 VanDerWaalsContact C-N 3.26Å; R318-R320 PolarHBondContact O-N 3.39Å; R318-V321 PolarHBondContact O-N 2.87Å; R318-G322 PolarHBondContact O-N 3.01Å |
| 319 | M | 64.4 | Low | 63.7 | Low | 157 Ų | 157 | 92.9 Ų | 92.9 | 77% | 0.773 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.9 | -29.8 | 176.9 | -67.5 | -171.8 | 84.1 | 0 | 0 | 113.4 | E315 | E315-M319 WeakPolarHBondContact O-CG 3.12Å; E315-M319 PolarHBondContact O-N 2.8Å |
| 320 | R | 61.2 | Low | 62.9 | Low | 222 Ų | 222 | 93.1 Ų | 93.1 | 84% | 0.838 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -85.5 | -22.3 | -176.5 | -156.9 | 160 | -169.9 | 92.1 | -0.2 | 113.5 | C316 L317 R318 | C316-R320 WeakPolarHBondContact O-CB 3.31Å; C316-R320 PolarHBondContact O-N 3.41Å; L317-R320 PolarHBondContact O-N 3.12Å; R318-R320 VanDerWaalsContact C-N 3.26Å; R318-R320 PolarHBondContact O-N 3.39Å |
| 321 | V | 58.4 | Low | 62.5 | Low | 80 Ų | 80 | 89.7 Ų | 89.7 | 49% | 0.485 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -96.1 | -10.2 | -179 | 178.4 | 0 | 0 | 0 | 0 | 112.3 | L317 R318 T329 | L317-V321 WeakPolarHBondContact O-CG2 3.46Å; L317-V321 PolarHBondContact O-N 3.3Å; L317-V321 VanDerWaalsContact O-N 3.12Å; R318-V321 PolarHBondContact O-N 2.87Å; V321-T329 HydrophobicContact CG1-CG2 3.64Å |
| 322 | G | 52.1 | Low | 62.2 | Low | 41 Ų | 41 | 93.4 Ų | 93.4 | 42% | 0.423 | 51% | 0.508 | S | S | . | . | trans | 77.2 | 146.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | R318 G324 | R318-G322 PolarHBondContact O-N 3.01Å; G322-G324 PolarHBondContact O-N 3.17Å | ||
| 323 | D | 57.4 | Low | 61.7 | Low | 152 Ų | 152 | 95.8 Ų | 95.8 | 81% | 0.813 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -74.6 | 57.6 | -176.7 | -157.8 | 37.8 | 0 | 0 | 0 | 111 | ||
| 324 | G | 54.6 | Low | 62 | Low | 32 Ų | 32 | 99.9 Ų | 99.9 | 33% | 0.33 | 53% | 0.533 | S | S | . | . | trans | -100.5 | 115 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | G322 D326 T329 | G322-G324 PolarHBondContact O-N 3.17Å; G324-D326 PolarHBondContact O-N 3.09Å; G324-T329 PolarHBondContact O-OG1 3.26Å | ||
| 325 | D | 57.7 | Low | 62.3 | Low | 165 Ų | 165 | 104.4 Ų | 104.4 | 88% | 0.882 | 55% | 0.554 | S | S | * | * | trans | -61.4 | 35.1 | 175.6 | -73.7 | -45.4 | 0 | 0 | 0 | 114.5 | ||||
| 326 | D | 57.5 | Low | 62.7 | Low | 108 Ų | 108 | 101.6 Ų | 101.6 | 58% | 0.578 | 55% | 0.549 | S | S | * | . | trans | -89.1 | 118.5 | 179.6 | -66.1 | -38.5 | 0 | 0 | 0 | 109.4 | G324 A328 T329 | G324-D326 PolarHBondContact O-N 3.09Å; D326-A328 PolarHBondContact O-N 3.07Å; D326-T329 HydrophobicContact CB-CG2 4.06Å; D326-T329 PolarHBondContact O-N 2.79Å; D326-T329 PolarHBondContact O-OG1 2.8Å | ||
| 327 | H | 60.4 | Low | 63.4 | Low | 182 Ų | 182 | 99.6 Ų | 99.6 | 84% | 0.843 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -49.9 | -21.7 | 170.9 | -82.1 | -75.3 | 0 | 0 | 0 | 113.8 | A331 | H327-A331 PolarHBondContact O-N 3.34Å |
| 328 | A | 60.4 | Low | 64.2 | Low | 60 Ų | 60 | 99 Ų | 99 | 50% | 0.496 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.3 | -27.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D326 K332 | D326-A328 PolarHBondContact O-N 3.07Å; A328-K332 WeakPolarHBondContact O-CG 3.4Å; A328-K332 PolarHBondContact O-N 2.99Å |
| 329 | T | 57.9 | Low | 65.1 | Low | 35 Ų | 35 | 94 Ų | 94 | 22% | 0.215 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -77.2 | -36 | 177.6 | 62.7 | 0 | 0 | 0 | 0 | 111.2 | V321 G324 D326 K332 H333 | V321-T329 HydrophobicContact CG1-CG2 3.64Å; G324-T329 PolarHBondContact O-OG1 3.26Å; D326-T329 HydrophobicContact CB-CG2 4.06Å; D326-T329 PolarHBondContact O-N 2.79Å; D326-T329 PolarHBondContact O-OG1 2.8Å; T329-K332 WeakPolarHBondContact O-CB 3.23Å; T329-K332 PolarHBondContact O-N 3.17Å; T329-H333 PolarHBondContact O-N 2.85Å |
| 330 | A | 61.5 | Low | 65.8 | Low | 58 Ų | 58 | 91 Ų | 91 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K332 H333 E334 | A330-K332 VanDerWaalsContact C-N 3.31Å; A330-K332 PolarHBondContact O-N 3.03Å; A330-H333 WeakPolarHBondContact O-CB 3.49Å; A330-H333 PolarHBondContact O-N 3.39Å; A330-E334 PolarHBondContact O-N 3.27Å |
| 331 | A | 66.5 | Low | 66.8 | Low | 47 Ų | 47 | 88 Ų | 88 | 39% | 0.388 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.4 | -36.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | H327 E334 L335 | H327-A331 PolarHBondContact O-N 3.34Å; A331-E334 PolarHBondContact O-N 2.98Å; A331-L335 WeakPolarHBondContact O-CB 3.43Å; A331-L335 PolarHBondContact O-N 3.35Å |
| 332 | K | 69.8 | Low | 68.1 | Low | 139 Ų | 139 | 88.1 Ų | 88.1 | 60% | 0.604 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.1 | -39.2 | 174.3 | -71.8 | 170.3 | -175.5 | 172.6 | 0 | 112 | A328 T329 A330 L335 A336 | A328-K332 WeakPolarHBondContact O-CG 3.4Å; A328-K332 PolarHBondContact O-N 2.99Å; T329-K332 WeakPolarHBondContact O-CB 3.23Å; T329-K332 PolarHBondContact O-N 3.17Å; A330-K332 VanDerWaalsContact C-N 3.31Å; A330-K332 PolarHBondContact O-N 3.03Å; K332-L335 PolarHBondContact O-N 3.43Å; K332-A336 WeakPolarHBondContact O-CB 3.36Å; K332-A336 PolarHBondContact O-N 3.02Å |
| 333 | H | 64.2 | Low | 69.6 | Low | 57 Ų | 57 | 88.9 Ų | 88.9 | 26% | 0.264 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 175.2 | 177.6 | -100.3 | 0 | 0 | 0 | 111.3 | S314 T329 A330 A336 L337 | S314-H333 VanDerWaalsContact CA-NE2 3.34Å; S314-H333 WeakPolarHBondContact CA-NE2 3.34Å; S314-H333 VanDerWaalsContact CB-NE2 3.25Å; S314-H333 WeakPolarHBondContact CB-NE2 3.46Å; T329-H333 PolarHBondContact O-N 2.85Å; A330-H333 WeakPolarHBondContact O-CB 3.49Å; A330-H333 PolarHBondContact O-N 3.39Å; H333-A336 PolarHBondContact O-N 3.33Å; H333-L337 WeakPolarHBondContact CE1-CD1 3.46Å; H333-L337 WeakPolarHBondContact O-CG 3.5Å; H333-L337 PolarHBondContact O-N 3.48Å |
| 334 | E | 74.1 | Confident | 70.7 | Confident | 141 Ų | 141 | 85.4 Ų | 85.4 | 66% | 0.659 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64 | -43 | 177 | -166.7 | -178.3 | 178.3 | 0 | 0 | 112.3 | A330 A331 A336 L337 S338 | A330-E334 PolarHBondContact O-N 3.27Å; A331-E334 PolarHBondContact O-N 2.98Å; E334-A336 PolarHBondContact O-N 3.07Å; E334-L337 PolarHBondContact O-N 3.22Å; E334-S338 WeakPolarHBondContact O-CB 3.42Å; E334-S338 PolarHBondContact O-N 3.45Å; E334-S338 PolarHBondContact O-OG 2.82Å |
| 335 | L | 75.8 | Confident | 72.3 | Confident | 122 Ų | 122 | 90 Ų | 90 | 64% | 0.639 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.2 | -38.6 | 174.5 | -86.9 | 159.3 | 0 | 0 | 0 | 113.1 | A331 K332 S338 G339 | A331-L335 WeakPolarHBondContact O-CB 3.43Å; A331-L335 PolarHBondContact O-N 3.35Å; K332-L335 PolarHBondContact O-N 3.43Å; L335-S338 WeakPolarHBondContact CA-OG 3.43Å; L335-S338 PolarHBondContact O-OG 2.86Å; L335-G339 PolarHBondContact O-N 2.93Å |
| 336 | A | 74.5 | Confident | 73.6 | Confident | 49 Ų | 49 | 85.3 Ų | 85.3 | 41% | 0.405 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.6 | -41.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | K332 H333 E334 L340 | K332-A336 WeakPolarHBondContact O-CB 3.36Å; K332-A336 PolarHBondContact O-N 3.02Å; H333-A336 PolarHBondContact O-N 3.33Å; E334-A336 PolarHBondContact O-N 3.07Å; A336-L340 PolarHBondContact O-N 3.47Å; A336-L340 VanDerWaalsContact O-N 3.07Å |
| 337 | L | 75.3 | Confident | 75.1 | Confident | 43 Ų | 43 | 86.9 Ų | 86.9 | 23% | 0.225 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -69.8 | -37.5 | 176.4 | -70 | -177.8 | 0 | 0 | 0 | 112.4 | V313 H333 E334 L340 R341 | V313-L337 HydrophobicContact CG1-CD2 4.15Å; H333-L337 WeakPolarHBondContact CE1-CD1 3.46Å; H333-L337 WeakPolarHBondContact O-CG 3.5Å; H333-L337 PolarHBondContact O-N 3.48Å; E334-L337 PolarHBondContact O-N 3.22Å; L337-L340 PolarHBondContact O-N 3.11Å; L337-R341 WeakPolarHBondContact O-CB 3.4Å; L337-R341 PolarHBondContact O-N 3.36Å |
| 338 | S | 79.8 | Confident | 76.4 | Confident | 42 Ų | 42 | 86.2 Ų | 86.2 | 29% | 0.294 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.5 | -44.4 | 175.6 | 67 | 0 | 0 | 0 | 0 | 111.2 | E334 L335 L340 R341 D342 | E334-S338 WeakPolarHBondContact O-CB 3.42Å; E334-S338 PolarHBondContact O-N 3.45Å; E334-S338 PolarHBondContact O-OG 2.82Å; L335-S338 WeakPolarHBondContact CA-OG 3.43Å; L335-S338 PolarHBondContact O-OG 2.86Å; S338-L340 VanDerWaalsContact C-N 3.31Å; S338-L340 PolarHBondContact O-N 2.98Å; S338-R341 WeakPolarHBondContact O-CB 3.32Å; S338-R341 PolarHBondContact O-N 2.98Å; S338-R341 VanDerWaalsContact O-N 3.11Å; S338-D342 WeakPolarHBondContact O-CB 3.43Å; S338-D342 PolarHBondContact O-N 3.04Å |
| 339 | G | 84.2 | Confident | 77.7 | Confident | 41 Ų | 41 | 88.8 Ų | 88.8 | 42% | 0.423 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.2 | -41.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | L335 A343 | L335-G339 PolarHBondContact O-N 2.93Å; G339-A343 WeakPolarHBondContact O-CB 3.37Å; G339-A343 PolarHBondContact O-N 3.46Å |
| 340 | L | 77.6 | Confident | 79.1 | Confident | 95 Ų | 95 | 92.3 Ų | 92.3 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 174.4 | -176.2 | 62.3 | 0 | 0 | 0 | 111.9 | A336 L337 S338 D342 A343 C344 | A336-L340 PolarHBondContact O-N 3.47Å; A336-L340 VanDerWaalsContact O-N 3.07Å; L337-L340 PolarHBondContact O-N 3.11Å; S338-L340 VanDerWaalsContact C-N 3.31Å; S338-L340 PolarHBondContact O-N 2.98Å; L340-D342 VanDerWaalsContact C-N 3.32Å; L340-D342 PolarHBondContact O-N 3.25Å; L340-A343 PolarHBondContact O-N 3.36Å; L340-C344 PolarHBondContact O-N 3.44Å; L340-C344 PolarHBondContact O-SG 3.38Å; L340-C344 VanDerWaalsContact O-SG 3.38Å |
| 341 | R | 82.8 | Confident | 80.2 | Confident | 159 Ų | 159 | 94.4 Ų | 94.4 | 60% | 0.6 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.4 | -40.2 | 178.6 | -167.1 | -174.8 | -72.2 | 174 | -4.5 | 111.7 | L337 S338 C344 R345 | L337-R341 WeakPolarHBondContact O-CB 3.4Å; L337-R341 PolarHBondContact O-N 3.36Å; S338-R341 WeakPolarHBondContact O-CB 3.32Å; S338-R341 PolarHBondContact O-N 2.98Å; S338-R341 VanDerWaalsContact O-N 3.11Å; R341-C344 PolarHBondContact O-N 3.14Å; R341-R345 PolarHBondContact O-N 2.96Å |
| 342 | D | 86.8 | Confident | 81.1 | Confident | 82 Ų | 82 | 96.8 Ų | 96.8 | 44% | 0.439 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -74.1 | -36 | 179.2 | -66.2 | -19.8 | 0 | 0 | 0 | 111.9 | S338 L340 C344 R345 S346 | S338-D342 WeakPolarHBondContact O-CB 3.43Å; S338-D342 PolarHBondContact O-N 3.04Å; L340-D342 VanDerWaalsContact C-N 3.32Å; L340-D342 PolarHBondContact O-N 3.25Å; D342-C344 VanDerWaalsContact C-N 3.33Å; D342-C344 PolarHBondContact O-N 3.26Å; D342-R345 PolarHBondContact O-N 3.41Å; D342-R345 IonicContact OD1-CZ 3.94Å; D342-R345 IonicContact OD1-NE 2.87Å; D342-R345 PolarHBondContact OD1-NE 3.46Å; D342-R345 IonicContact OD1-NH2 3.83Å; D342-R345 PolarHBondContact OD1-NH2 3.38Å; D342-S346 WeakPolarHBondContact O-CB 3.31Å; D342-S346 PolarHBondContact O-N 3.4Å |
| 343 | A | 83.2 | Confident | 81.8 | Confident | 58 Ų | 58 | 96.2 Ų | 96.2 | 48% | 0.479 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.4 | -41.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112 | G339 L340 S346 K347 | G339-A343 WeakPolarHBondContact O-CB 3.37Å; G339-A343 PolarHBondContact O-N 3.46Å; L340-A343 PolarHBondContact O-N 3.36Å; A343-S346 PolarHBondContact O-N 3.26Å; A343-K347 WeakPolarHBondContact O-CB 3.47Å; A343-K347 PolarHBondContact O-N 2.97Å |
| 344 | C | 79.2 | Confident | 82.7 | Confident | 79 Ų | 79 | 98.3 Ų | 98.3 | 53% | 0.534 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 174.4 | -72.4 | 0 | 0 | 0 | 0 | 112.5 | L340 R341 D342 R348 | L340-C344 PolarHBondContact O-N 3.44Å; L340-C344 PolarHBondContact O-SG 3.38Å; L340-C344 VanDerWaalsContact O-SG 3.38Å; R341-C344 PolarHBondContact O-N 3.14Å; D342-C344 VanDerWaalsContact C-N 3.33Å; D342-C344 PolarHBondContact O-N 3.26Å; C344-R348 PolarHBondContact O-N 3.48Å; C344-R348 VanDerWaalsContact O-N 3.14Å |
| 345 | R | 88.3 | Confident | 82.9 | Confident | 128 Ų | 128 | 97.2 Ų | 97.2 | 48% | 0.483 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 175.4 | -81.7 | -173.8 | -89.7 | -114.1 | 10.4 | 112.5 | R341 D342 R348 Q349 | R341-R345 PolarHBondContact O-N 2.96Å; D342-R345 PolarHBondContact O-N 3.41Å; D342-R345 IonicContact OD1-CZ 3.94Å; D342-R345 IonicContact OD1-NE 2.87Å; D342-R345 PolarHBondContact OD1-NE 3.46Å; D342-R345 IonicContact OD1-NH2 3.83Å; D342-R345 PolarHBondContact OD1-NH2 3.38Å; R345-R348 PolarHBondContact O-N 3.17Å; R345-Q349 WeakPolarHBondContact O-CG 3.38Å; R345-Q349 PolarHBondContact O-N 2.87Å |
| 346 | S | 85.5 | Confident | 82.9 | Confident | 67 Ų | 67 | 100.7 Ų | 100.7 | 47% | 0.469 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 177.9 | -178.3 | 0 | 0 | 0 | 0 | 111.6 | D342 A343 R348 Q349 Q350 | D342-S346 WeakPolarHBondContact O-CB 3.31Å; D342-S346 PolarHBondContact O-N 3.4Å; A343-S346 PolarHBondContact O-N 3.26Å; S346-R348 VanDerWaalsContact C-N 3.31Å; S346-R348 PolarHBondContact O-N 2.84Å; S346-Q349 PolarHBondContact O-N 3.37Å; S346-Q350 WeakPolarHBondContact O-CB 3.34Å; S346-Q350 PolarHBondContact O-N 3.43Å |
| 347 | K | 88.6 | Confident | 82.6 | Confident | 140 Ų | 140 | 103.5 Ų | 103.5 | 61% | 0.609 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.3 | -37.3 | 175.8 | -167.2 | -179 | -179.2 | -179 | 0 | 112.6 | A343 Q350 Q351 | A343-K347 WeakPolarHBondContact O-CB 3.47Å; A343-K347 PolarHBondContact O-N 2.97Å; K347-Q350 PolarHBondContact O-N 3.05Å; K347-Q351 PolarHBondContact O-N 2.95Å |
| 348 | R | 87.9 | Confident | 82 | Confident | 168 Ų | 168 | 108.2 Ų | 108.2 | 63% | 0.634 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.5 | -46.3 | 174.6 | -177.9 | 177.6 | 176.1 | 164.3 | 5.1 | 111.7 | C344 R345 S346 Q350 Q351 E352 | C344-R348 PolarHBondContact O-N 3.48Å; C344-R348 VanDerWaalsContact O-N 3.14Å; R345-R348 PolarHBondContact O-N 3.17Å; S346-R348 VanDerWaalsContact C-N 3.31Å; S346-R348 PolarHBondContact O-N 2.84Å; R348-Q350 VanDerWaalsContact C-N 3.26Å; R348-Q350 PolarHBondContact O-N 3.21Å; R348-Q351 PolarHBondContact O-N 2.96Å; R348-E352 WeakPolarHBondContact CG-OE1 3.44Å; R348-E352 IonicContact CZ-OE1 3.46Å; R348-E352 IonicContact NE-OE1 3.2Å; R348-E352 PolarHBondContact NE-OE1 2.89Å; R348-E352 IonicContact NH2-OE1 2.85Å; R348-E352 WeakPolarHBondContact O-CG 3.37Å; R348-E352 PolarHBondContact O-N 3.47Å |
| 349 | Q | 88 | Confident | 81.2 | Confident | 115 Ų | 115 | 110.1 Ų | 110.1 | 54% | 0.537 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.9 | -36 | 175.8 | -71 | 177.2 | 4.1 | 0 | 0 | 112.1 | R345 S346 E352 Q353 | R345-Q349 WeakPolarHBondContact O-CG 3.38Å; R345-Q349 PolarHBondContact O-N 2.87Å; S346-Q349 PolarHBondContact O-N 3.37Å; Q349-E352 PolarHBondContact O-N 3.15Å; Q349-Q353 WeakPolarHBondContact O-CG 3.47Å; Q349-Q353 PolarHBondContact O-N 2.97Å |
| 350 | Q | 86.5 | Confident | 79.8 | Confident | 109 Ų | 109 | 115.3 Ų | 115.3 | 51% | 0.509 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 175.8 | -168.7 | 175.5 | 0.9 | 0 | 0 | 111.6 | S346 K347 R348 E352 Q353 E354 | S346-Q350 WeakPolarHBondContact O-CB 3.34Å; S346-Q350 PolarHBondContact O-N 3.43Å; K347-Q350 PolarHBondContact O-N 3.05Å; R348-Q350 VanDerWaalsContact C-N 3.26Å; R348-Q350 PolarHBondContact O-N 3.21Å; Q350-E352 VanDerWaalsContact C-N 3.34Å; Q350-E352 PolarHBondContact O-N 3.44Å; Q350-Q353 PolarHBondContact O-N 3.28Å; Q350-E354 WeakPolarHBondContact O-CB 3.5Å; Q350-E354 WeakPolarHBondContact O-CG 3.43Å; Q350-E354 PolarHBondContact O-N 3.22Å |
| 351 | Q | 84.8 | Confident | 78.8 | Confident | 102 Ų | 102 | 117.5 Ų | 117.5 | 48% | 0.477 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.3 | -39 | 173.6 | -82.7 | -175.4 | -22.9 | 0 | 0 | 112.8 | K347 R348 E354 Q355 | K347-Q351 PolarHBondContact O-N 2.95Å; R348-Q351 PolarHBondContact O-N 2.96Å; Q351-E354 PolarHBondContact O-N 3.4Å; Q351-Q355 WeakPolarHBondContact O-CB 3.5Å; Q351-Q355 WeakPolarHBondContact O-CG 3.39Å; Q351-Q355 PolarHBondContact O-N 3.35Å |
| 352 | E | 86.5 | Confident | 77.6 | Confident | 96 Ų | 96 | 115.2 Ų | 115.2 | 45% | 0.449 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.7 | -36.2 | 176.1 | -72.8 | 169.5 | -173 | 0 | 0 | 111.6 | R348 Q349 Q350 R356 | R348-E352 WeakPolarHBondContact CG-OE1 3.44Å; R348-E352 IonicContact CZ-OE1 3.46Å; R348-E352 IonicContact NE-OE1 3.2Å; R348-E352 PolarHBondContact NE-OE1 2.89Å; R348-E352 IonicContact NH2-OE1 2.85Å; R348-E352 WeakPolarHBondContact O-CG 3.37Å; R348-E352 PolarHBondContact O-N 3.47Å; Q349-E352 PolarHBondContact O-N 3.15Å; Q350-E352 VanDerWaalsContact C-N 3.34Å; Q350-E352 PolarHBondContact O-N 3.44Å; E352-R356 VanDerWaalsContact O-CB 3.31Å; E352-R356 WeakPolarHBondContact O-CB 3.46Å; E352-R356 PolarHBondContact O-N 3.07Å |
| 353 | Q | 83.7 | Confident | 76.1 | Confident | 128 Ų | 128 | 119.1 Ų | 119.1 | 60% | 0.598 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -70.1 | -43.1 | 173.2 | -77.6 | -174 | 13.4 | 0 | 0 | 112.7 | Q349 Q350 R356 L357 | Q349-Q353 WeakPolarHBondContact O-CG 3.47Å; Q349-Q353 PolarHBondContact O-N 2.97Å; Q350-Q353 PolarHBondContact O-N 3.28Å; Q353-R356 PolarHBondContact O-N 2.97Å; Q353-R356 VanDerWaalsContact O-N 3.17Å; Q353-L357 WeakPolarHBondContact O-CG 3.36Å; Q353-L357 PolarHBondContact O-N 2.88Å |
| 354 | E | 83.3 | Confident | 74.4 | Confident | 100 Ų | 100 | 119.8 Ų | 119.8 | 47% | 0.467 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -59.4 | -47.3 | 175.5 | -75.5 | 170.2 | -179.4 | 0 | 0 | 110.6 | Q350 Q351 R356 L357 E358 | Q350-E354 WeakPolarHBondContact O-CB 3.5Å; Q350-E354 WeakPolarHBondContact O-CG 3.43Å; Q350-E354 PolarHBondContact O-N 3.22Å; Q351-E354 PolarHBondContact O-N 3.4Å; E354-R356 VanDerWaalsContact C-N 3.3Å; E354-R356 PolarHBondContact O-N 2.84Å; E354-L357 PolarHBondContact O-N 3.31Å; E354-E358 PolarHBondContact O-N 2.92Å |
| 355 | Q | 78.6 | Confident | 72.6 | Confident | 119 Ų | 119 | 123.3 Ų | 123.3 | 56% | 0.556 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.9 | -37.4 | 174.3 | -74.9 | 176.8 | 47.5 | 0 | 0 | 112.5 | Q351 V359 | Q351-Q355 WeakPolarHBondContact O-CB 3.5Å; Q351-Q355 WeakPolarHBondContact O-CG 3.39Å; Q351-Q355 PolarHBondContact O-N 3.35Å; Q355-V359 VanDerWaalsContact O-CG2 3.31Å; Q355-V359 WeakPolarHBondContact O-CG2 3.44Å; Q355-V359 PolarHBondContact O-N 2.97Å |
| 356 | R | 75.9 | Confident | 70.4 | Confident | 194 Ų | 194 | 123.7 Ų | 123.7 | 73% | 0.732 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -73.1 | -28.7 | 179.1 | -165.5 | 171.7 | -171.9 | -119.8 | 3 | 113.1 | E352 Q353 E354 K360 | E352-R356 VanDerWaalsContact O-CB 3.31Å; E352-R356 WeakPolarHBondContact O-CB 3.46Å; E352-R356 PolarHBondContact O-N 3.07Å; Q353-R356 PolarHBondContact O-N 2.97Å; Q353-R356 VanDerWaalsContact O-N 3.17Å; E354-R356 VanDerWaalsContact C-N 3.3Å; E354-R356 PolarHBondContact O-N 2.84Å; R356-K360 PolarHBondContact O-N 3Å |
| 357 | L | 68.6 | Low | 68.6 | Low | 109 Ų | 109 | 127.6 Ų | 127.6 | 57% | 0.571 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -75.6 | -42 | 173.8 | -71.1 | 170.2 | 0 | 0 | 0 | 110.9 | Q353 E354 V359 K360 D361 | Q353-L357 WeakPolarHBondContact O-CG 3.36Å; Q353-L357 PolarHBondContact O-N 2.88Å; E354-L357 PolarHBondContact O-N 3.31Å; L357-V359 VanDerWaalsContact C-N 3.33Å; L357-V359 PolarHBondContact O-N 3.04Å; L357-K360 PolarHBondContact O-N 3.25Å; L357-D361 PolarHBondContact O-N 3.44Å; L357-D361 VanDerWaalsContact O-N 3.13Å |
| 358 | E | 62.7 | Low | 66.4 | Low | 141 Ų | 141 | 124.6 Ų | 124.6 | 66% | 0.659 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -60.2 | -39.5 | 175.9 | -75 | -169.2 | 131.2 | 0 | 0 | 112.6 | E354 K360 T362 | E354-E358 PolarHBondContact O-N 2.92Å; E358-K360 VanDerWaalsContact C-N 3.28Å; E358-K360 PolarHBondContact O-N 3.25Å; E358-T362 PolarHBondContact O-OG1 3.17Å |
| 359 | V | 61.5 | Low | 64.2 | Low | 82 Ų | 82 | 123.8 Ų | 123.8 | 50% | 0.497 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -66.8 | -30.6 | 175.9 | 174.2 | 0 | 0 | 0 | 0 | 112 | Q355 L357 T362 | Q355-V359 VanDerWaalsContact O-CG2 3.31Å; Q355-V359 WeakPolarHBondContact O-CG2 3.44Å; Q355-V359 PolarHBondContact O-N 2.97Å; L357-V359 VanDerWaalsContact C-N 3.33Å; L357-V359 PolarHBondContact O-N 3.04Å; V359-T362 WeakPolarHBondContact CA-OG1 3.31Å; V359-T362 PolarHBondContact O-N 3.35Å; V359-T362 PolarHBondContact O-OG1 3.48Å |
| 360 | K | 56 | Low | 62.1 | Low | 151 Ų | 151 | 125.2 Ų | 125.2 | 66% | 0.657 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -80.7 | -26.8 | -175.9 | -144.7 | 173.3 | -174.6 | -175.2 | 0 | 113.2 | R356 L357 E358 T362 | R356-K360 PolarHBondContact O-N 3Å; L357-K360 PolarHBondContact O-N 3.25Å; E358-K360 VanDerWaalsContact C-N 3.28Å; E358-K360 PolarHBondContact O-N 3.25Å; K360-T362 VanDerWaalsContact C-N 3.31Å |
| 361 | D | 57 | Low | 59.9 | Low | 140 Ų | 140 | 129.1 Ų | 129.1 | 75% | 0.749 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -77.6 | -18.6 | 173.8 | -67.8 | -29.5 | 0 | 0 | 0 | 112.3 | L357 | L357-D361 PolarHBondContact O-N 3.44Å; L357-D361 VanDerWaalsContact O-N 3.13Å |
| 362 | T | 57.5 | Low | 57.5 | Low | 112 Ų | 112 | 130 Ų | 130 | 69% | 0.687 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -86.6 | -12.2 | 176.2 | 44 | 0 | 0 | 0 | 0 | 115.6 | E358 V359 K360 | E358-T362 PolarHBondContact O-OG1 3.17Å; V359-T362 WeakPolarHBondContact CA-OG1 3.31Å; V359-T362 PolarHBondContact O-N 3.35Å; V359-T362 PolarHBondContact O-OG1 3.48Å; K360-T362 VanDerWaalsContact C-N 3.31Å |
| 363 | E | 54.3 | Low | 55.5 | Low | 163 Ų | 163 | 130.6 Ų | 130.6 | 76% | 0.762 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -107.2 | 8.3 | -175.2 | -67.5 | -171.5 | 147.9 | 0 | 0 | 114.7 | ||
| 364 | G | 47.3 | Very low | 53.5 | Low | 73 Ų | 73 | 130 Ų | 130 | 75% | 0.753 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -100.2 | 3.6 | -172 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 365 | N | 41.4 | Very low | 51.4 | Low | 153 Ų | 153 | 130.3 Ų | 130.3 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | trans | -132.4 | 92.9 | -172.4 | -165.2 | 18 | 0 | 0 | 0 | 111 | ||||
| 366 | V | 42.5 | Very low | 49.8 | Very low | 136 Ų | 136 | 129.6 Ų | 129.6 | 82% | 0.824 | 74% | 0.738 | S | S | * | * | trans | 164 | 86.7 | 154.3 | 157.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 367 | V | 47.9 | Very low | 48.1 | Very low | 149 Ų | 149 | 128.3 Ų | 128.3 | 90% | 0.903 | 75% | 0.746 | S | S | * | * | trans | -152.3 | 113.4 | 156.6 | 174.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 368 | G | 42.5 | Very low | 46.9 | Very low | 76 Ų | 76 | 128.3 Ų | 128.3 | 78% | 0.784 | 76% | 0.755 | S | S | * | * | trans | 62.2 | 157.4 | 150.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 369 | H | 41.4 | Very low | 45.8 | Very low | 152 Ų | 152 | 130.7 Ų | 130.7 | 70% | 0.704 | 76% | 0.763 | S | S | * | * | cis | -172.1 | 153.7 | -10.5 | -172.6 | -113.9 | 0 | 0 | 0 | 103.2 | ||||
| 370 | E | 44 | Very low | 44.9 | Very low | 144 Ų | 144 | 131.1 Ų | 131.1 | 67% | 0.673 | 77% | 0.77 | S | S | * | * | trans | 54.7 | 111.2 | 157.9 | 75.9 | -148.7 | 127.7 | 0 | 0 | 123 | ||||
| 371 | E | 39.8 | Very low | 44.5 | Very low | 191 Ų | 191 | 127.7 Ų | 127.7 | 89% | 0.893 | 77% | 0.765 | S | S | * | * | 42.3 | 116.9 | 123 | -51.3 | -174 | 141.9 | 0 | 0 | 119.9 | |||||
| 372 | C | 36 | Very low | 43.8 | Very low | 120 Ų | 120 | 129.8 Ų | 129.8 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | 175.1 | 112.1 | 115.2 | -166.2 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 373 | S | 44.1 | Very low | 43.1 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | 23.4 | 139 | 137.5 | -56.7 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 374 | S | 41.9 | Very low | 42.6 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | trans | 70.7 | 139 | 149.5 | -100.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 375 | C | 37.9 | Very low | 42.6 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 72% | 0.723 | 77% | 0.77 | S | S | * | * | cis | -165.2 | 140.8 | 18.9 | 33.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 376 | S | 45.3 | Very low | 42.8 | Very low | 103 Ų | 103 | 126.2 Ų | 126.2 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | trans | 25.3 | 126.3 | 137.1 | -31.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 377 | N | 41.1 | Very low | 43.1 | Very low | 168 Ų | 168 | 125.3 Ų | 125.3 | 90% | 0.898 | 77% | 0.767 | S | S | * | * | -166.2 | 133.9 | 104.6 | -102.1 | -8.7 | 0 | 0 | 0 | 113.9 | |||||
| 378 | S | 42.1 | Very low | 43.3 | Very low | 109 Ų | 109 | 123.6 Ų | 123.6 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | trans | -95.5 | 157.4 | -177.7 | -51.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 379 | F | 39.9 | Very low | 43.3 | Very low | 190 Ų | 190 | 129.2 Ų | 129.2 | 83% | 0.833 | 77% | 0.765 | S | S | * | * | trans | -169.8 | 105.2 | 132.8 | -148.1 | -108.5 | 0 | 0 | 0 | 107.8 | ||||
| 380 | S | 42.1 | Very low | 43.3 | Very low | 92 Ų | 92 | 126.4 Ų | 126.4 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | 56.3 | 133.1 | 83.2 | -63.4 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 381 | S | 48.9 | Very low | 43.5 | Very low | 78 Ų | 78 | 123.8 Ų | 123.8 | 55% | 0.545 | 77% | 0.771 | S | S | . | * | cis | -166.1 | 147 | 34.9 | -27.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 382 | E | 41.6 | Very low | 43.9 | Very low | 185 Ų | 185 | 122.3 Ų | 122.3 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | 65.4 | 138.3 | 125.1 | -58.8 | 167.8 | 149.8 | 0 | 0 | 119.6 | |||||
| 383 | A | 43.8 | Very low | 44.2 | Very low | 81 Ų | 81 | 124.4 Ų | 124.4 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | cis | -163.6 | 146.8 | 31.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 384 | T | 43.2 | Very low | 45.2 | Very low | 137 Ų | 137 | 124.6 Ų | 124.6 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | trans | 57.9 | 141.2 | 134.6 | 58.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 385 | S | 47.2 | Very low | 45.5 | Very low | 98 Ų | 98 | 124.8 Ų | 124.8 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | cis | -171.6 | 158.4 | -7.4 | 70.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 386 | S | 46.5 | Very low | 45.6 | Very low | 110 Ų | 110 | 125.8 Ų | 125.8 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | 74.2 | 135.7 | 148.9 | -50.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 387 | S | 48 | Very low | 45.5 | Very low | 116 Ų | 116 | 130 Ų | 130 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | cis | -167 | 163.1 | 3.3 | -124.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 388 | P | 51.1 | Low | 45.3 | Very low | 114 Ų | 114 | 131.5 Ų | 131.5 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | trans | -119.9 | 159.7 | -167.5 | 39.5 | -25.5 | 0 | 0 | 0 | 115.8 | ||||
| 389 | E | 42.3 | Very low | 45.6 | Very low | 193 Ų | 193 | 130.3 Ų | 130.3 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | trans | -162.7 | 106 | 153.1 | -106.8 | -169.3 | 105.3 | 0 | 0 | 107 | ||||
| 390 | A | 42.3 | Very low | 45.8 | Very low | 93 Ų | 93 | 130 Ų | 130 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | 70.4 | 96.1 | 71.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 391 | A | 47.9 | Very low | 46.1 | Very low | 90 Ų | 90 | 131 Ų | 131 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | 164.3 | 127.8 | 113.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 392 | N | 48.6 | Very low | 46.2 | Very low | 159 Ų | 159 | 132.3 Ų | 132.3 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | 86.5 | 89.3 | 152.1 | -58 | -26.9 | 0 | 0 | 0 | 120.4 | ||||
| 393 | N | 41.4 | Very low | 46.8 | Very low | 165 Ų | 165 | 129.1 Ų | 129.1 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | trans | -106.2 | 144.9 | 148.4 | -96.2 | -42 | 0 | 0 | 0 | 109.4 | ||||
| 394 | P | 65.8 | Low | 47.5 | Very low | 112 Ų | 112 | 129.7 Ų | 129.7 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -96.1 | 162.4 | 150.7 | 34.2 | -25.5 | 0 | 0 | 0 | 112.1 | ||||
| 395 | P | 48.4 | Very low | 48.1 | Very low | 121 Ų | 121 | 129 Ų | 129 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -87.5 | 174.1 | -160.9 | -2.7 | 24 | 0 | 0 | 0 | 114.8 | ||||
| 396 | P | 40.8 | Very low | 48.6 | Very low | 128 Ų | 128 | 131 Ų | 131 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | trans | -83.9 | 144.3 | -160.3 | 35.1 | -33.2 | 0 | 0 | 0 | 112.5 | ||||
| 397 | Q | 43.4 | Very low | 49.2 | Very low | 192 Ų | 192 | 131.6 Ų | 131.6 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | trans | -121.2 | 124 | 166.4 | -75.3 | -164 | -51.9 | 0 | 0 | 111.1 | ||||
| 398 | E | 36.2 | Very low | 50 | Low | 198 Ų | 198 | 132 Ų | 132 | 93% | 0.925 | 76% | 0.764 | S | S | * | * | trans | -44 | 128.1 | 164.1 | -62.7 | 164.6 | 123.9 | 0 | 0 | 111.8 | ||||
| 399 | A | 47.7 | Very low | 50.2 | Low | 85 Ų | 85 | 135.6 Ų | 135.6 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | trans | -170.9 | 107.6 | 147.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 400 | K | 45.1 | Very low | 51.2 | Low | 184 Ų | 184 | 131 Ų | 131 | 80% | 0.8 | 75% | 0.752 | S | S | * | * | trans | 75.8 | 106.8 | 133.3 | -55.4 | -171.9 | 179.6 | -179.4 | 0 | 118.5 | V402 | K400-V402 HydrophobicContact CB-CG2 3.86Å; K400-V402 WeakPolarHBondContact O-CG2 3.38Å; K400-V402 PolarHBondContact O-N 2.91Å | ||
| 401 | A | 47.1 | Very low | 52.1 | Low | 112 Ų | 112 | 131.6 Ų | 131.6 | 93% | 0.926 | 75% | 0.75 | S | S | * | * | trans | -56.7 | 92.7 | 154.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 402 | V | 51.7 | Low | 52.8 | Low | 106 Ų | 106 | 132.1 Ų | 132.1 | 64% | 0.642 | 74% | 0.74 | S | S | * | * | trans | -152.6 | 87.9 | 170 | -94.7 | 0 | 0 | 0 | 0 | 105.6 | K400 | K400-V402 HydrophobicContact CB-CG2 3.86Å; K400-V402 WeakPolarHBondContact O-CG2 3.38Å; K400-V402 PolarHBondContact O-N 2.91Å | ||
| 403 | D | 53.3 | Low | 53.5 | Low | 117 Ų | 117 | 132.6 Ų | 132.6 | 63% | 0.626 | 74% | 0.743 | S | S | * | * | trans | -174.6 | 10.5 | 160.7 | -93 | -24.5 | 0 | 0 | 0 | 115.9 | ||||
| 404 | S | 58.7 | Low | 55.1 | Low | 94 Ų | 94 | 130.9 Ų | 130.9 | 66% | 0.657 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -74.8 | -26.6 | 174.7 | 74.7 | 0 | 0 | 0 | 0 | 113.4 | ||
| 405 | D | 57.1 | Low | 55.4 | Low | 123 Ų | 123 | 130.5 Ų | 130.5 | 66% | 0.658 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -84.2 | -18.9 | -177.7 | -72.5 | -19.2 | 0 | 0 | 0 | 113.6 | W409 | D405-W409 VanDerWaalsContact O-CD1 3.24Å |
| 406 | M | 57.9 | Low | 56.5 | Low | 139 Ų | 139 | 130 Ų | 130 | 69% | 0.685 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -77.9 | -24.8 | 173.1 | -85 | -147.4 | 160.1 | 0 | 0 | 113.1 | L408 S410 | M406-L408 VanDerWaalsContact C-N 3.35Å; M406-S410 PolarHBondContact O-OG 3.48Å |
| 407 | L | 59.3 | Low | 57.9 | Low | 123 Ų | 123 | 131.9 Ų | 131.9 | 64% | 0.644 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -75.1 | -24 | 178.7 | -71.3 | 162 | 0 | 0 | 0 | 112.8 | ||
| 408 | L | 63.7 | Low | 58.7 | Low | 124 Ų | 124 | 136.4 Ų | 136.4 | 65% | 0.649 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -72.9 | -34.9 | 179.7 | -170.6 | 63.5 | 0 | 0 | 0 | 112.8 | M406 | M406-L408 VanDerWaalsContact C-N 3.35Å |
| 409 | W | 55.8 | Low | 59.8 | Low | 190 Ų | 190 | 133.3 Ų | 133.3 | 72% | 0.72 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -83.4 | -20.6 | 179.9 | -63.9 | 95.7 | 0 | 0 | 0 | 113.4 | D405 S411 L412 | D405-W409 VanDerWaalsContact O-CD1 3.24Å; W409-S411 PolarHBondContact O-N 3.13Å; W409-L412 HydrophobicContact CE3-CD1 3.75Å; W409-L412 HydrophobicContact CZ3-CD1 4.03Å; W409-L412 PolarHBondContact O-N 3.04Å |
| 410 | S | 62.3 | Low | 60.5 | Low | 97 Ų | 97 | 135.8 Ų | 135.8 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -11.6 | 178.7 | -56.6 | 0 | 0 | 0 | 0 | 113.6 | M406 | M406-S410 PolarHBondContact O-OG 3.48Š|
| 411 | S | 61.2 | Low | 61.3 | Low | 104 Ų | 104 | 133.2 Ų | 133.2 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | 3.1 | 176.7 | -65.8 | 0 | 0 | 0 | 0 | 114 | W409 D413 | W409-S411 PolarHBondContact O-N 3.13Å; S411-D413 PolarHBondContact O-N 3.36Å |
| 412 | L | 63 | Low | 62.2 | Low | 102 Ų | 102 | 134.4 Ų | 134.4 | 53% | 0.534 | 72% | 0.716 | S | S | . | * | trans | -93.1 | 82.3 | 174.5 | -76.5 | 169.7 | 0 | 0 | 0 | 109.6 | W409 L414 | W409-L412 HydrophobicContact CE3-CD1 3.75Å; W409-L412 HydrophobicContact CZ3-CD1 4.03Å; W409-L412 PolarHBondContact O-N 3.04Å; L412-L414 HydrophobicContact CB-CD1 3.92Å; L412-L414 PolarHBondContact O-N 3.31Å | ||
| 413 | D | 63.6 | Low | 62.8 | Low | 169 Ų | 169 | 136.2 Ų | 136.2 | 90% | 0.904 | 72% | 0.721 | S | S | * | * | trans | -71.2 | 78 | 174.4 | -149.9 | 12.6 | 0 | 0 | 0 | 109.4 | S411 | S411-D413 PolarHBondContact O-N 3.36Š| ||
| 414 | L | 74.7 | Confident | 63.5 | Low | 129 Ų | 129 | 137.5 Ų | 137.5 | 68% | 0.675 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 134 | 169.9 | -83.4 | 98.1 | 0 | 0 | 0 | 109.6 | L412 | L412-L414 HydrophobicContact CB-CD1 3.92Å; L412-L414 PolarHBondContact O-N 3.31Å |
| 415 | P | 72.7 | Confident | 63.8 | Low | 104 Ų | 104 | 140.6 Ų | 140.6 | 68% | 0.675 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 146.9 | 174.5 | 27.8 | -33.6 | 0 | 0 | 0 | 110.6 | I417 | P415-I417 PolarHBondContact O-N 3.26Š|
| 416 | P | 72 | Confident | 64.3 | Low | 111 Ų | 111 | 141.9 Ų | 141.9 | 72% | 0.721 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 127 | 174.3 | 24.5 | -31.8 | 0 | 0 | 0 | 109.8 | Y418 | P416-Y418 PolarHBondContact O-N 3.5Š|
| 417 | I | 70.4 | Confident | 64.9 | Low | 167 Ų | 167 | 142.2 Ų | 142.2 | 86% | 0.856 | 74% | 0.742 | S | S | * | * | trans | -76.4 | 115.2 | 170 | -41.3 | 173.2 | 0 | 0 | 0 | 105.6 | P415 | P415-I417 PolarHBondContact O-N 3.26Š| ||
| 418 | Y | 59.6 | Low | 65.4 | Low | 286 Ų | 286 | 143.9 Ų | 143.9 | 100% | 1.122 | 75% | 0.751 | S | S | * | * | trans | -76 | 0 | 174.4 | -103 | -86.1 | 0 | 0 | 0 | 111.8 | P416 | P416-Y418 PolarHBondContact O-N 3.5Š|
Retrieved 418 of 418 residues in 147.4 ms
(Link to these results)