| 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 | 60.8 | Low | 66.4 | Low | 216 Ų | 216 | 142.1 Ų | 142.1 | 100% | 1.064 | 67% | 0.669 | S | S | * | * | 0 | -42.5 | 0 | -131.5 | -176.8 | -68.7 | 0 | 0 | 111.4 | L4 L5 | M1-L4 PolarHBondContact O-N 3.21Å; M1-L5 PolarHBondContact O-N 2.9Å | |||
| 2 | E | 63.9 | Low | 65.8 | Low | 145 Ų | 145 | 142.2 Ų | 142.2 | 68% | 0.678 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -63.1 | -40.4 | 177.6 | -108.8 | -179.8 | 124.5 | 0 | 0 | 115.2 | L4 L5 R6 | E2-L4 VanDerWaalsContact C-N 3.32Å; E2-L4 PolarHBondContact O-N 3.46Å; E2-L5 PolarHBondContact O-N 3.1Å; E2-R6 PolarHBondContact O-N 3.29Å |
| 3 | E | 68.4 | Low | 65.1 | Low | 170 Ų | 170 | 141.5 Ų | 141.5 | 79% | 0.794 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -67 | -33.9 | 179.9 | -77.2 | -171 | 106 | 0 | 0 | 113 | L5 R6 M7 | E3-L5 VanDerWaalsContact C-N 3.32Å; E3-R6 PolarHBondContact O-N 3.33Å; E3-M7 WeakPolarHBondContact O-CB 3.49Å; E3-M7 PolarHBondContact O-N 2.89Å |
| 4 | L | 63.5 | Low | 64.5 | Low | 124 Ų | 124 | 144.9 Ų | 144.9 | 65% | 0.649 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -70 | -34.1 | 177.7 | -128.9 | 148.9 | 0 | 0 | 0 | 111.1 | M1 E2 Q8 | M1-L4 PolarHBondContact O-N 3.21Å; E2-L4 VanDerWaalsContact C-N 3.32Å; E2-L4 PolarHBondContact O-N 3.46Å; L4-Q8 VanDerWaalsContact O-CB 3.31Å; L4-Q8 WeakPolarHBondContact O-CB 3.45Å; L4-Q8 PolarHBondContact O-N 3.31Å |
| 5 | L | 68.3 | Low | 63.3 | Low | 109 Ų | 109 | 146.5 Ų | 146.5 | 57% | 0.571 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -70.2 | -40.4 | 173.2 | -161.6 | 73 | 0 | 0 | 0 | 111.5 | M1 E2 E3 Q8 Q9 | M1-L5 PolarHBondContact O-N 2.9Å; E2-L5 PolarHBondContact O-N 3.1Å; E3-L5 VanDerWaalsContact C-N 3.32Å; L5-Q8 PolarHBondContact O-N 3.1Å; L5-Q9 VanDerWaalsContact O-CB 3.27Å; L5-Q9 WeakPolarHBondContact O-CB 3.4Å; L5-Q9 PolarHBondContact O-N 3.11Å |
| 6 | R | 71.9 | Confident | 62.5 | Low | 176 Ų | 176 | 150.4 Ų | 150.4 | 66% | 0.664 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -65.1 | -40.7 | 173.8 | -74 | -172.2 | -179.7 | -169.1 | 2.4 | 111.9 | E2 E3 Q9 Q10 | E2-R6 PolarHBondContact O-N 3.29Å; E3-R6 PolarHBondContact O-N 3.33Å; R6-Q9 PolarHBondContact O-N 2.94Å; R6-Q10 WeakPolarHBondContact O-CB 3.25Å; R6-Q10 PolarHBondContact O-N 3.18Å |
| 7 | M | 69.9 | Low | 61.8 | Low | 108 Ų | 108 | 152.9 Ų | 152.9 | 53% | 0.532 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -69.6 | -36.6 | 178.7 | -156.7 | 175.8 | 78.5 | 0 | 0 | 112 | E3 Q10 Q11 | E3-M7 WeakPolarHBondContact O-CB 3.49Å; E3-M7 PolarHBondContact O-N 2.89Å; M7-Q10 PolarHBondContact O-N 3.14Å; M7-Q11 PolarHBondContact O-N 3.16Å |
| 8 | Q | 69.8 | Low | 61.5 | Low | 116 Ų | 116 | 150.3 Ų | 150.3 | 54% | 0.542 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -67.7 | -40.7 | 172.8 | -173.7 | 173.4 | 88.5 | 0 | 0 | 111.6 | L4 L5 Q10 Q11 Q12 | L4-Q8 VanDerWaalsContact O-CB 3.31Å; L4-Q8 WeakPolarHBondContact O-CB 3.45Å; L4-Q8 PolarHBondContact O-N 3.31Å; L5-Q8 PolarHBondContact O-N 3.1Å; Q8-Q10 VanDerWaalsContact C-N 3.29Å; Q8-Q10 PolarHBondContact O-N 3.49Å; Q8-Q11 PolarHBondContact O-N 3.43Å; Q8-Q12 WeakPolarHBondContact O-CB 3.44Å; Q8-Q12 PolarHBondContact O-N 3.03Å |
| 9 | Q | 66.6 | Low | 61 | Low | 123 Ų | 123 | 148.7 Ų | 148.7 | 58% | 0.575 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -65.7 | -34.4 | 175.9 | -167.3 | 164.8 | 93.6 | 0 | 0 | 111.8 | L5 R6 Q12 Q13 | L5-Q9 VanDerWaalsContact O-CB 3.27Å; L5-Q9 WeakPolarHBondContact O-CB 3.4Å; L5-Q9 PolarHBondContact O-N 3.11Å; R6-Q9 PolarHBondContact O-N 2.94Å; Q9-Q12 PolarHBondContact O-N 3.29Å; Q9-Q13 PolarHBondContact O-N 2.63Å; Q9-Q13 VanDerWaalsContact O-N 3.13Å |
| 10 | Q | 64.6 | Low | 60.9 | Low | 147 Ų | 147 | 147.8 Ų | 147.8 | 69% | 0.687 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -74.7 | -34.6 | 177.1 | -149.5 | 163.5 | 58.3 | 0 | 0 | 112.6 | R6 M7 Q8 K14 | R6-Q10 WeakPolarHBondContact O-CB 3.25Å; R6-Q10 PolarHBondContact O-N 3.18Å; M7-Q10 PolarHBondContact O-N 3.14Å; Q8-Q10 VanDerWaalsContact C-N 3.29Å; Q8-Q10 PolarHBondContact O-N 3.49Å; Q10-K14 PolarHBondContact O-N 2.96Å |
| 11 | Q | 62.2 | Low | 60.9 | Low | 129 Ų | 129 | 149.2 Ų | 149.2 | 60% | 0.603 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -68.2 | -33.9 | 170.5 | -79.2 | -176.5 | 14.4 | 0 | 0 | 112.6 | M7 Q8 K14 | M7-Q11 PolarHBondContact O-N 3.16Å; Q8-Q11 PolarHBondContact O-N 3.43Å; Q11-K14 PolarHBondContact O-N 3.4Å |
| 12 | Q | 59.9 | Low | 60.6 | Low | 143 Ų | 143 | 146.9 Ų | 146.9 | 67% | 0.668 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -74.7 | -30.1 | 179.9 | -155.8 | 146.3 | 73.4 | 0 | 0 | 112.6 | Q8 Q9 | Q8-Q12 WeakPolarHBondContact O-CB 3.44Å; Q8-Q12 PolarHBondContact O-N 3.03Å; Q9-Q12 PolarHBondContact O-N 3.29Å |
| 13 | Q | 56.5 | Low | 60.3 | Low | 133 Ų | 133 | 145.3 Ų | 145.3 | 62% | 0.621 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -70.1 | -31.4 | 169.8 | -74.2 | -177 | 6.8 | 0 | 0 | 112.8 | Q9 Q15 R16 | Q9-Q13 PolarHBondContact O-N 2.63Å; Q9-Q13 VanDerWaalsContact O-N 3.13Å; Q13-Q15 PolarHBondContact O-N 3.29Å; Q13-R16 PolarHBondContact O-N 3.43Å |
| 14 | K | 56.6 | Low | 59.3 | Low | 190 Ų | 190 | 143.2 Ų | 143.2 | 83% | 0.826 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -13.6 | -179.6 | -150.6 | 177.1 | -176.2 | -175.6 | 0 | 114.1 | Q10 Q11 | Q10-K14 PolarHBondContact O-N 2.96Å; Q11-K14 PolarHBondContact O-N 3.4Å |
| 15 | Q | 47.2 | Very low | 58.9 | Low | 169 Ų | 169 | 147.3 Ų | 147.3 | 79% | 0.79 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | 1.9 | 177.3 | -73 | -149.8 | 63.7 | 0 | 0 | 114.7 | Q13 K17 | Q13-Q15 PolarHBondContact O-N 3.29Å; Q15-K17 PolarHBondContact O-N 3.04Å |
| 16 | R | 49.8 | Very low | 58.3 | Low | 208 Ų | 208 | 149.4 Ų | 149.4 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | trans | -75.6 | 94.5 | 173.3 | -63.3 | -174.2 | 73.9 | -169.2 | 2.4 | 108.5 | Q13 | Q13-R16 PolarHBondContact O-N 3.43Š| ||
| 17 | K | 50.5 | Low | 57.4 | Low | 194 Ų | 194 | 146.1 Ų | 146.1 | 84% | 0.843 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 133.7 | 164.9 | -62.2 | -179.3 | -176.9 | -178.2 | 0 | 107.5 | Q15 | Q15-K17 PolarHBondContact O-N 3.04Š|
| 18 | P | 56.5 | Low | 56.8 | Low | 106 Ų | 106 | 149 Ų | 149 | 69% | 0.688 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 149 | 175.7 | 24.3 | -31.3 | 0 | 0 | 0 | 108.8 | V20 | P18-V20 PolarHBondContact O-N 3.14Å; P18-V20 VanDerWaalsContact O-N 3.09Å |
| 19 | P | 51.7 | Low | 56.1 | Low | 119 Ų | 119 | 149.1 Ų | 149.1 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 124 | 170.5 | -12.6 | 26.1 | 0 | 0 | 0 | 106.5 | E21 | P19-E21 PolarHBondContact O-N 3.08Š|
| 20 | V | 59.7 | Low | 55.7 | Low | 131 Ų | 131 | 147.1 Ų | 147.1 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | trans | -66.6 | 98.8 | 166 | 178.9 | 0 | 0 | 0 | 0 | 104.2 | P18 E22 | P18-V20 PolarHBondContact O-N 3.14Å; P18-V20 VanDerWaalsContact O-N 3.09Å; V20-E22 VanDerWaalsContact C-N 3.33Å; V20-E22 PolarHBondContact O-N 2.9Å | ||
| 21 | E | 60.8 | Low | 55.6 | Low | 177 Ų | 177 | 149.1 Ų | 149.1 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | trans | -56.6 | 107 | 159.7 | -83.8 | 177.1 | 152.1 | 0 | 0 | 105.3 | P19 P23 | P19-E21 PolarHBondContact O-N 3.08Å; E21-P23 WeakPolarHBondContact O-CD 3.37Å; E21-P23 VanDerWaalsContact O-N 3.14Å | ||
| 22 | E | 54.8 | Low | 55.3 | Low | 167 Ų | 167 | 153.8 Ų | 153.8 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | trans | -55.9 | 121.1 | 165.3 | -71 | -169.9 | 164.4 | 0 | 0 | 105.9 | V20 V24 | V20-E22 VanDerWaalsContact C-N 3.33Å; V20-E22 PolarHBondContact O-N 2.9Å; E22-V24 VanDerWaalsContact C-N 3.33Å; E22-V24 PolarHBondContact O-N 2.93Å | ||
| 23 | P | 56.6 | Low | 55.3 | Low | 113 Ų | 113 | 151.4 Ų | 151.4 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -61.2 | 107.2 | 173.9 | 24.8 | -30.7 | 0 | 0 | 0 | 105.6 | E21 Y25 | E21-P23 WeakPolarHBondContact O-CD 3.37Å; E21-P23 VanDerWaalsContact O-N 3.14Å; P23-Y25 VanDerWaalsContact C-N 3.32Å; P23-Y25 PolarHBondContact O-N 3.36Å | ||
| 24 | V | 48.3 | Very low | 55.1 | Low | 125 Ų | 125 | 147.9 Ų | 147.9 | 76% | 0.758 | 77% | 0.77 | S | S | * | * | trans | -54.2 | 108 | 168.3 | 175.1 | 0 | 0 | 0 | 0 | 104.6 | E22 Q26 | E22-V24 VanDerWaalsContact C-N 3.33Å; E22-V24 PolarHBondContact O-N 2.93Å; V24-Q26 HydrophobicContact CG1-CG 4.32Å; V24-Q26 PolarHBondContact O-N 3.46Å | ||
| 25 | Y | 54.1 | Low | 55 | Low | 210 Ų | 210 | 146.6 Ų | 146.6 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | trans | -73.1 | 76.4 | 178.2 | -154.8 | -86.9 | 0 | 0 | 0 | 106.9 | P23 P27 | P23-Y25 VanDerWaalsContact C-N 3.32Å; P23-Y25 PolarHBondContact O-N 3.36Å; Y25-P27 WeakPolarHBondContact O-CD 3.37Å | ||
| 26 | Q | 55.8 | Low | 55.6 | Low | 153 Ų | 153 | 146.1 Ų | 146.1 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | trans | -67 | 120.1 | 155.8 | -85 | 173.7 | -1.9 | 0 | 0 | 105.2 | V24 Q28 | V24-Q26 HydrophobicContact CG1-CG 4.32Å; V24-Q26 PolarHBondContact O-N 3.46Å; Q26-Q28 PolarHBondContact O-N 3.23Å | ||
| 27 | P | 53.6 | Low | 56.1 | Low | 107 Ų | 107 | 143 Ų | 143 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | trans | -62.3 | 96 | 167.5 | 26.4 | -30 | 0 | 0 | 0 | 105.9 | Y25 P29 | Y25-P27 WeakPolarHBondContact O-CD 3.37Å; P27-P29 WeakPolarHBondContact O-CD 3.32Å | ||
| 28 | Q | 58 | Low | 56.2 | Low | 170 Ų | 170 | 144 Ų | 144 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | trans | -55.1 | 124 | 157.4 | -70.8 | 175.6 | -5.3 | 0 | 0 | 103.8 | Q26 A30 | Q26-Q28 PolarHBondContact O-N 3.23Å; Q28-A30 PolarHBondContact O-N 2.9Å | ||
| 29 | P | 54.8 | Low | 56.2 | Low | 117 Ų | 117 | 149.1 Ų | 149.1 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | trans | -58.9 | 101 | 168.7 | 24.4 | -29 | 0 | 0 | 0 | 103.7 | P27 Q31 | P27-P29 WeakPolarHBondContact O-CD 3.32Å; P29-Q31 PolarHBondContact O-N 3.04Å | ||
| 30 | A | 58.2 | Low | 56.5 | Low | 82 Ų | 82 | 155 Ų | 155 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | -51.1 | 109.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 102.1 | Q28 R32 | Q28-A30 PolarHBondContact O-N 2.9Å; A30-R32 PolarHBondContact O-N 3.31Å | ||
| 31 | Q | 62.8 | Low | 56.6 | Low | 188 Ų | 188 | 152.6 Ų | 152.6 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | trans | -58.5 | 94 | 163.2 | -70.9 | -174.3 | -7.4 | 0 | 0 | 101.4 | P29 A33 | P29-Q31 PolarHBondContact O-N 3.04Å; Q31-A33 PolarHBondContact O-N 3.39Å | ||
| 32 | R | 55.8 | Low | 56.5 | Low | 227 Ų | 227 | 151.8 Ų | 151.8 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | trans | -43.5 | 118.5 | 174.4 | -79.6 | -178.4 | 154.9 | 169.8 | -4.4 | 102.5 | A30 G34 | A30-R32 PolarHBondContact O-N 3.31Å; R32-G34 WeakPolarHBondContact O-CA 3.46Å; R32-G34 PolarHBondContact O-N 3.07Å | ||
| 33 | A | 59.6 | Low | 56.9 | Low | 94 Ų | 94 | 148 Ų | 148 | 78% | 0.777 | 74% | 0.742 | S | S | * | * | trans | -43.7 | 106.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 104.6 | Q31 L35 | Q31-A33 PolarHBondContact O-N 3.39Å; A33-L35 VanDerWaalsContact C-N 3.34Å; A33-L35 PolarHBondContact O-N 3.47Å | ||
| 34 | G | 51.3 | Low | 57.4 | Low | 58 Ų | 58 | 147.1 Ų | 147.1 | 60% | 0.598 | 74% | 0.736 | S | S | * | * | trans | -61.6 | 113.3 | -171 | 0 | 0 | 0 | 0 | 0 | 101.9 | R32 E36 | R32-G34 WeakPolarHBondContact O-CA 3.46Å; R32-G34 PolarHBondContact O-N 3.07Å; G34-E36 PolarHBondContact O-N 2.97Å | ||
| 35 | L | 54.3 | Low | 58.3 | Low | 163 Ų | 163 | 148.4 Ų | 148.4 | 85% | 0.853 | 73% | 0.734 | S | S | * | * | trans | -63 | 87.5 | 152.3 | -77.5 | 158.5 | 0 | 0 | 0 | 102.1 | A33 I37 | A33-L35 VanDerWaalsContact C-N 3.34Å; A33-L35 PolarHBondContact O-N 3.47Å; L35-I37 PolarHBondContact O-N 2.9Å | ||
| 36 | E | 60.6 | Low | 59 | Low | 159 Ų | 159 | 142.9 Ų | 142.9 | 74% | 0.743 | 72% | 0.718 | S | S | * | * | trans | -56.9 | 88.6 | 160.6 | -73.4 | -93.9 | 139.2 | 0 | 0 | 102.4 | G34 W38 | G34-E36 PolarHBondContact O-N 2.97Å; E36-W38 PolarHBondContact O-N 3.18Å | ||
| 37 | I | 59.9 | Low | 59.6 | Low | 143 Ų | 143 | 139.4 Ų | 139.4 | 73% | 0.733 | 70% | 0.703 | S | S | * | * | trans | -62.2 | 94.5 | 165.8 | -58.3 | 170.5 | 0 | 0 | 0 | 101.3 | L35 R39 | L35-I37 PolarHBondContact O-N 2.9Å; I37-R39 PolarHBondContact O-N 3.45Å | ||
| 38 | W | 53.4 | Low | 60.3 | Low | 214 Ų | 214 | 139.4 Ų | 139.4 | 81% | 0.811 | 69% | 0.694 | S | S | * | * | trans | -53.5 | 96.1 | 157.3 | -74.9 | 86.1 | 0 | 0 | 0 | 103.2 | E36 R40 | E36-W38 PolarHBondContact O-N 3.18Å; W38-R40 PolarHBondContact O-N 3.16Å | ||
| 39 | R | 56.5 | Low | 60.8 | Low | 215 Ų | 215 | 137.1 Ų | 137.1 | 81% | 0.811 | 68% | 0.683 | S | S | * | * | trans | -59 | 95.7 | 164 | -85.4 | -157.4 | -73 | 173.8 | -4.6 | 102.4 | I37 N41 | I37-R39 PolarHBondContact O-N 3.45Å; R39-N41 PolarHBondContact O-N 3Å | ||
| 40 | R | 57.2 | Low | 61.4 | Low | 243 Ų | 243 | 135.6 Ų | 135.6 | 92% | 0.917 | 67% | 0.672 | S | S | * | * | trans | -69.6 | 69.7 | 172 | -176.6 | 175.8 | -70.6 | 154.1 | -0.8 | 105.6 | W38 | W38-R40 PolarHBondContact O-N 3.16Š| ||
| 41 | N | 61.7 | Low | 61.8 | Low | 79 Ų | 79 | 135.4 Ų | 135.4 | 42% | 0.422 | 66% | 0.662 | S | S | . | * | trans | -145.1 | 74.1 | 174.7 | -156.4 | -25.4 | 0 | 0 | 0 | 107.5 | R39 N43 I47 | R39-N41 PolarHBondContact O-N 3Å; N41-N43 VanDerWaalsContact C-N 3.26Å; N41-N43 PolarHBondContact OD1-O 2.97Å; N41-I47 VanDerWaalsContact ND2-CD1 3.32Å; N41-I47 WeakPolarHBondContact ND2-CD1 3.14Å; N41-I47 WeakPolarHBondContact ND2-CG1 3.42Å | ||
| 42 | Q | 59.5 | Low | 62 | Low | 161 Ų | 161 | 131.7 Ų | 131.7 | 75% | 0.752 | 65% | 0.645 | S | S | * | * | trans | -86.9 | 3.7 | 176.5 | -70.5 | -88.3 | -51.1 | 0 | 0 | 111.6 | ||||
| 43 | N | 63.7 | Low | 62.2 | Low | 87 Ų | 87 | 125.1 Ų | 125.1 | 47% | 0.465 | 63% | 0.63 | S | S | . | * | trans | -130.5 | 94.9 | -172.3 | -69.6 | -53.2 | 0 | 0 | 0 | 110.2 | N41 Q45 L46 I47 | N41-N43 VanDerWaalsContact C-N 3.26Å; N41-N43 PolarHBondContact OD1-O 2.97Å; N43-Q45 PolarHBondContact O-N 3.45Å; N43-Q45 VanDerWaalsContact O-N 3.13Å; N43-L46 HydrophobicContact CB-CB 4.11Å; N43-L46 HydrophobicContact CB-CD1 3.74Å; N43-L46 HydrophobicContact CB-CG 4.49Å; N43-L46 WeakPolarHBondContact O-CB 3.04Å; N43-L46 PolarHBondContact O-N 3.37Å; N43-I47 PolarHBondContact O-N 3.09Å | ||
| 44 | P | 67.1 | Low | 62.2 | Low | 94 Ų | 94 | 124 Ų | 124 | 61% | 0.61 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -58.7 | -25.5 | 174.9 | 24.6 | -33.8 | 0 | 0 | 0 | 112.3 | L46 I47 Q48 | P44-L46 VanDerWaalsContact C-N 3.34Å; P44-L46 PolarHBondContact O-N 3.04Å; P44-I47 PolarHBondContact O-N 2.9Å; P44-Q48 WeakPolarHBondContact O-CB 3.42Å; P44-Q48 PolarHBondContact O-N 2.91Å |
| 45 | Q | 67.4 | Low | 62.3 | Low | 153 Ų | 153 | 123.3 Ų | 123.3 | 72% | 0.715 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.4 | -34.1 | 175 | -59.3 | -178.3 | 40.8 | 0 | 0 | 112.7 | N43 Q48 E49 | N43-Q45 PolarHBondContact O-N 3.45Å; N43-Q45 VanDerWaalsContact O-N 3.13Å; Q45-Q48 PolarHBondContact O-N 2.99Å; Q45-E49 WeakPolarHBondContact O-CB 3.14Å; Q45-E49 PolarHBondContact O-N 3.36Å |
| 46 | L | 68.8 | Low | 62.3 | Low | 94 Ų | 94 | 124 Ų | 124 | 49% | 0.492 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -70 | -38.5 | 174.5 | -103.9 | 86.1 | 0 | 0 | 0 | 111.5 | N43 P44 Q48 V50 | N43-L46 HydrophobicContact CB-CB 4.11Å; N43-L46 HydrophobicContact CB-CD1 3.74Å; N43-L46 HydrophobicContact CB-CG 4.49Å; N43-L46 WeakPolarHBondContact O-CB 3.04Å; N43-L46 PolarHBondContact O-N 3.37Å; P44-L46 VanDerWaalsContact C-N 3.34Å; P44-L46 PolarHBondContact O-N 3.04Å; L46-Q48 VanDerWaalsContact C-N 3.28Å; L46-V50 WeakPolarHBondContact O-CB 3.42Å; L46-V50 WeakPolarHBondContact O-CG2 3.48Å; L46-V50 PolarHBondContact O-N 3.31Å |
| 47 | I | 67.1 | Low | 62 | Low | 79 Ų | 79 | 121.5 Ų | 121.5 | 41% | 0.405 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.9 | -45.6 | 174.1 | -59.6 | 174.5 | 0 | 0 | 0 | 108.9 | N41 N43 P44 V50 T51 | N41-I47 VanDerWaalsContact ND2-CD1 3.32Å; N41-I47 WeakPolarHBondContact ND2-CD1 3.14Å; N41-I47 WeakPolarHBondContact ND2-CG1 3.42Å; N43-I47 PolarHBondContact O-N 3.09Å; P44-I47 PolarHBondContact O-N 2.9Å; I47-V50 PolarHBondContact O-N 3.14Å; I47-T51 HydrophobicContact CG2-CG2 4.05Å; I47-T51 WeakPolarHBondContact O-CB 3.34Å; I47-T51 VanDerWaalsContact O-CG2 3.26Å; I47-T51 WeakPolarHBondContact O-CG2 3.32Å; I47-T51 PolarHBondContact O-N 3.08Å; I47-T51 PolarHBondContact O-OG1 3.02Å |
| 48 | Q | 68.8 | Low | 61.6 | Low | 107 Ų | 107 | 119.6 Ų | 119.6 | 50% | 0.5 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -59.6 | -50.3 | 179.6 | -175.2 | 170.5 | 4.3 | 0 | 0 | 111.4 | P44 Q45 L46 V50 T51 E52 | P44-Q48 WeakPolarHBondContact O-CB 3.42Å; P44-Q48 PolarHBondContact O-N 2.91Å; Q45-Q48 PolarHBondContact O-N 2.99Å; L46-Q48 VanDerWaalsContact C-N 3.28Å; Q48-V50 PolarHBondContact O-N 3.17Å; Q48-T51 WeakPolarHBondContact CA-OG1 3.49Å; Q48-T51 CarbonylContact O-C 3.57Å; Q48-T51 PolarHBondContact O-N 3.42Å; Q48-T51 VanDerWaalsContact O-N 3.14Å; Q48-T51 PolarHBondContact O-OG1 3.23Å; Q48-E52 HydrophobicContact CG-CG 4.27Å; Q48-E52 WeakPolarHBondContact CG-OE1 3.44Å; Q48-E52 PolarHBondContact NE2-OE1 3.03Å; Q48-E52 WeakPolarHBondContact O-CB 3.1Å; Q48-E52 VanDerWaalsContact O-CG 3.25Å; Q48-E52 WeakPolarHBondContact O-CG 3.45Å; Q48-E52 PolarHBondContact O-N 3.49Å |
| 49 | E | 67.3 | Low | 61.8 | Low | 122 Ų | 122 | 112.8 Ų | 112.8 | 57% | 0.57 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -57.3 | -46.7 | 175.7 | -173.5 | -167.1 | 161.1 | 0 | 0 | 111.8 | Q45 T51 E52 T53 | Q45-E49 WeakPolarHBondContact O-CB 3.14Å; Q45-E49 PolarHBondContact O-N 3.36Å; E49-T51 PolarHBondContact O-N 3.29Å; E49-E52 PolarHBondContact O-N 3.24Å; E49-T53 WeakPolarHBondContact O-CB 3.2Å; E49-T53 PolarHBondContact O-N 3.08Å; E49-T53 PolarHBondContact O-OG1 2.96Å |
| 50 | V | 68.5 | Low | 61.8 | Low | 85 Ų | 85 | 108.8 Ų | 108.8 | 52% | 0.515 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.7 | -42.9 | 176.8 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | L46 I47 Q48 T53 V54 | L46-V50 WeakPolarHBondContact O-CB 3.42Å; L46-V50 WeakPolarHBondContact O-CG2 3.48Å; L46-V50 PolarHBondContact O-N 3.31Å; I47-V50 PolarHBondContact O-N 3.14Å; Q48-V50 PolarHBondContact O-N 3.17Å; V50-T53 PolarHBondContact O-N 3.06Å; V50-V54 HydrophobicContact CG1-CG2 3.93Å; V50-V54 WeakPolarHBondContact O-CA 3.45Å; V50-V54 WeakPolarHBondContact O-CB 3.49Å; V50-V54 WeakPolarHBondContact O-CG2 3.38Å; V50-V54 PolarHBondContact O-N 3.3Å |
| 51 | T | 65.8 | Low | 61.9 | Low | 78 Ų | 78 | 104.1 Ų | 104.1 | 48% | 0.479 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -72.4 | -29.5 | 179.2 | 56.3 | 0 | 0 | 0 | 0 | 113.6 | I47 Q48 E49 G55 | I47-T51 HydrophobicContact CG2-CG2 4.05Å; I47-T51 WeakPolarHBondContact O-CB 3.34Å; I47-T51 VanDerWaalsContact O-CG2 3.26Å; I47-T51 WeakPolarHBondContact O-CG2 3.32Å; I47-T51 PolarHBondContact O-N 3.08Å; I47-T51 PolarHBondContact O-OG1 3.02Å; Q48-T51 WeakPolarHBondContact CA-OG1 3.49Å; Q48-T51 CarbonylContact O-C 3.57Å; Q48-T51 PolarHBondContact O-N 3.42Å; Q48-T51 VanDerWaalsContact O-N 3.14Å; Q48-T51 PolarHBondContact O-OG1 3.23Å; E49-T51 PolarHBondContact O-N 3.29Å; T51-G55 VanDerWaalsContact O-CA 3.26Å; T51-G55 WeakPolarHBondContact O-CA 3.46Å; T51-G55 PolarHBondContact O-N 3.26Å |
| 52 | E | 67.4 | Low | 61.6 | Low | 111 Ų | 111 | 107.9 Ų | 107.9 | 52% | 0.519 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -71 | -38.5 | 173.9 | -74.8 | 172.6 | -176.5 | 0 | 0 | 110.1 | Q48 E49 | Q48-E52 HydrophobicContact CG-CG 4.27Å; Q48-E52 WeakPolarHBondContact CG-OE1 3.44Å; Q48-E52 PolarHBondContact NE2-OE1 3.03Å; Q48-E52 WeakPolarHBondContact O-CB 3.1Å; Q48-E52 VanDerWaalsContact O-CG 3.25Å; Q48-E52 WeakPolarHBondContact O-CG 3.45Å; Q48-E52 PolarHBondContact O-N 3.49Å; E49-E52 PolarHBondContact O-N 3.24Å |
| 53 | T | 60.6 | Low | 61.3 | Low | 88 Ų | 88 | 110.1 Ų | 110.1 | 54% | 0.54 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -78.2 | -35.3 | 177.3 | -40.2 | 0 | 0 | 0 | 0 | 112.2 | E49 V50 H57 | E49-T53 WeakPolarHBondContact O-CB 3.2Å; E49-T53 PolarHBondContact O-N 3.08Å; E49-T53 PolarHBondContact O-OG1 2.96Å; V50-T53 PolarHBondContact O-N 3.06Å; T53-H57 PolarHBondContact O-CD2 3.05Å |
| 54 | V | 58.8 | Low | 60.7 | Low | 70 Ų | 70 | 111.2 Ų | 111.2 | 42% | 0.424 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -85.3 | -32.9 | -179.1 | 164.8 | 0 | 0 | 0 | 0 | 113.5 | V50 Q56 H57 | V50-V54 HydrophobicContact CG1-CG2 3.93Å; V50-V54 WeakPolarHBondContact O-CA 3.45Å; V50-V54 WeakPolarHBondContact O-CB 3.49Å; V50-V54 WeakPolarHBondContact O-CG2 3.38Å; V50-V54 PolarHBondContact O-N 3.3Å; V54-Q56 VanDerWaalsContact C-N 3.3Å; V54-Q56 PolarHBondContact O-N 3.49Å; V54-H57 VanDerWaalsContact CA-NE2 3.35Å; V54-H57 WeakPolarHBondContact CA-NE2 3.35Å; V54-H57 WeakPolarHBondContact CG2-NE2 3.48Å; V54-H57 CarbonylContact O-C 3.46Å; V54-H57 PolarHBondContact O-N 3.38Å; V54-H57 PolarHBondContact O-ND1 2.94Å |
| 55 | G | 53 | Low | 60 | Low | 45 Ų | 45 | 112 Ų | 112 | 46% | 0.464 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -70.1 | -27 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T51 S58 | T51-G55 VanDerWaalsContact O-CA 3.26Å; T51-G55 WeakPolarHBondContact O-CA 3.46Å; T51-G55 PolarHBondContact O-N 3.26Å; G55-S58 PolarHBondContact O-OG 2.84Å; G55-S58 VanDerWaalsContact O-OG 3.11Å |
| 56 | Q | 55 | Low | 59.5 | Low | 178 Ų | 178 | 111.2 Ų | 111.2 | 83% | 0.832 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -75.8 | -29.7 | 173.4 | -74.2 | -178.7 | -13.7 | 0 | 0 | 112.7 | V54 S58 | V54-Q56 VanDerWaalsContact C-N 3.3Å; V54-Q56 PolarHBondContact O-N 3.49Å; Q56-S58 PolarHBondContact O-N 3.43Å |
| 57 | H | 54 | Low | 58.7 | Low | 106 Ų | 106 | 113.1 Ų | 113.1 | 49% | 0.491 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -90.9 | 57.7 | 170.7 | 70 | 65 | 0 | 0 | 0 | 110.5 | T53 V54 G59 | T53-H57 PolarHBondContact O-CD2 3.05Å; V54-H57 VanDerWaalsContact CA-NE2 3.35Å; V54-H57 WeakPolarHBondContact CA-NE2 3.35Å; V54-H57 WeakPolarHBondContact CG2-NE2 3.48Å; V54-H57 CarbonylContact O-C 3.46Å; V54-H57 PolarHBondContact O-N 3.38Å; V54-H57 PolarHBondContact O-ND1 2.94Å; H57-G59 PolarHBondContact O-N 3.31Å |
| 58 | S | 53 | Low | 57.9 | Low | 102 Ų | 102 | 117.9 Ų | 117.9 | 71% | 0.713 | 64% | 0.64 | S | S | * | * | trans | -56.5 | 103.5 | 168.8 | -73 | 0 | 0 | 0 | 0 | 110 | G55 Q56 D60 | G55-S58 PolarHBondContact O-OG 2.84Å; G55-S58 VanDerWaalsContact O-OG 3.11Å; Q56-S58 PolarHBondContact O-N 3.43Å; S58-D60 PolarHBondContact O-N 3.19Å | ||
| 59 | G | 56.8 | Low | 57.1 | Low | 71 Ų | 71 | 117.1 Ų | 117.1 | 73% | 0.732 | 65% | 0.652 | S | S | * | * | S | Bend | trans | 96.3 | -20.4 | 153.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | H57 I61 | H57-G59 PolarHBondContact O-N 3.31Å; G59-I61 PolarHBondContact O-N 3.29Å; G59-I61 VanDerWaalsContact O-N 3.15Å |
| 60 | D | 56.9 | Low | 56.5 | Low | 132 Ų | 132 | 112.2 Ų | 112.2 | 71% | 0.706 | 63% | 0.631 | S | S | * | * | trans | -92.5 | 83.7 | 179 | -69.8 | -37.1 | 0 | 0 | 0 | 110.1 | S58 L62 | S58-D60 PolarHBondContact O-N 3.19Å; D60-L62 PolarHBondContact O-N 2.94Å | ||
| 61 | I | 58.3 | Low | 56.2 | Low | 145 Ų | 145 | 119.9 Ų | 119.9 | 74% | 0.744 | 65% | 0.65 | S | S | * | * | trans | -50.3 | 109.5 | 142.3 | -60 | -174.6 | 0 | 0 | 0 | 103.2 | G59 R63 | G59-I61 PolarHBondContact O-N 3.29Å; G59-I61 VanDerWaalsContact O-N 3.15Å; I61-R63 HydrophobicContact CG2-CG 4.13Å; I61-R63 PolarHBondContact O-N 3.08Å | ||
| 62 | L | 55.3 | Low | 56.5 | Low | 158 Ų | 158 | 117.7 Ų | 117.7 | 83% | 0.827 | 64% | 0.636 | S | S | * | * | trans | -63.5 | 73.2 | 161.4 | -60.9 | -179 | 0 | 0 | 0 | 105.6 | D60 P64 | D60-L62 PolarHBondContact O-N 2.94Å; L62-P64 WeakPolarHBondContact O-CD 3.38Å; L62-P64 VanDerWaalsContact O-N 3.16Å | ||
| 63 | R | 54 | Low | 56.9 | Low | 208 Ų | 208 | 114.9 Ų | 114.9 | 79% | 0.785 | 63% | 0.632 | S | S | * | * | trans | -45.4 | 124.2 | 151.5 | -76.5 | 179.6 | 156.6 | -166.8 | -4.8 | 102 | I61 A65 | I61-R63 HydrophobicContact CG2-CG 4.13Å; I61-R63 PolarHBondContact O-N 3.08Å; R63-A65 PolarHBondContact O-N 3.06Å | ||
| 64 | P | 50.1 | Low | 57.8 | Low | 109 Ų | 109 | 110.9 Ų | 110.9 | 71% | 0.708 | 61% | 0.608 | S | S | * | * | trans | -42.2 | 126 | 167.2 | -25.1 | 32.2 | 0 | 0 | 0 | 106.1 | L62 M66 | L62-P64 WeakPolarHBondContact O-CD 3.38Å; L62-P64 VanDerWaalsContact O-N 3.16Å; P64-M66 HydrophobicContact CB-CB 4.22Å; P64-M66 WeakPolarHBondContact O-CA 3.4Å; P64-M66 PolarHBondContact O-N 3.15Å | ||
| 65 | A | 52.3 | Low | 58.8 | Low | 111 Ų | 111 | 111.3 Ų | 111.3 | 92% | 0.917 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -62.8 | 75.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | R63 | R63-A65 PolarHBondContact O-N 3.06Š|
| 66 | M | 56.8 | Low | 60 | Low | 137 Ų | 137 | 114.6 Ų | 114.6 | 68% | 0.675 | 61% | 0.611 | S | S | * | * | trans | -153.2 | 79.1 | -168.6 | -164.4 | 73.1 | 150.1 | 0 | 0 | 100.8 | P64 | P64-M66 HydrophobicContact CB-CB 4.22Å; P64-M66 WeakPolarHBondContact O-CA 3.4Å; P64-M66 PolarHBondContact O-N 3.15Å | ||
| 67 | Q | 52.2 | Low | 61.2 | Low | 133 Ų | 133 | 115.4 Ų | 115.4 | 62% | 0.621 | 61% | 0.612 | S | S | * | * | -148.5 | 133.5 | 72.2 | -75.4 | 144.9 | 8.6 | 0 | 0 | 109 | A69 | Q67-A69 PolarHBondContact O-N 2.81Š| |||
| 68 | R | 51.8 | Low | 62.6 | Low | 179 Ų | 179 | 110.9 Ų | 110.9 | 68% | 0.675 | 59% | 0.592 | S | S | * | * | trans | -43.9 | 117 | 153 | -73.3 | 174.8 | 57.9 | 175.8 | -5.4 | 106.2 | T70 E89 | R68-T70 PolarHBondContact O-N 3.26Å; R68-E89 IonicContact NH2-OE1 3.72Å; R68-E89 PolarHBondContact NH2-OE1 3.22Å | ||
| 69 | A | 50.5 | Low | 64.2 | Low | 91 Ų | 91 | 108.9 Ų | 108.9 | 75% | 0.752 | 58% | 0.578 | S | S | * | * | trans | -59.4 | 94 | 171.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | Q67 R71 | Q67-A69 PolarHBondContact O-N 2.81Å; A69-R71 PolarHBondContact O-N 2.91Å | ||
| 70 | T | 55.3 | Low | 65.6 | Low | 20 Ų | 20 | 107.2 Ų | 107.2 | 12% | 0.123 | 55% | 0.554 | C | S | . | * | trans | -64.8 | 112.1 | 178.8 | 50.9 | 0 | 0 | 0 | 0 | 106.1 | R68 V72 E89 K90 | R68-T70 PolarHBondContact O-N 3.26Å; T70-V72 PolarHBondContact O-N 3.43Å; T70-E89 HydrophobicContact CG2-CG 4.27Å; T70-K90 HydrophobicContact CG2-CD 3.5Å; T70-K90 VanDerWaalsContact CG2-CD 3.5Å; T70-K90 HydrophobicContact CG2-CG 4.1Å; T70-K90 VanDerWaalsContact CG2-NZ 3.28Å; T70-K90 WeakPolarHBondContact OG1-CE 3.19Å; T70-K90 PolarHBondContact OG1-NZ 3.12Å | ||
| 71 | R | 62 | Low | 67 | Low | 245 Ų | 245 | 108.6 Ų | 108.6 | 93% | 0.925 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -62.8 | -24.3 | 178.5 | -67.9 | -176.8 | 176.5 | -137.7 | 0.9 | 111.1 | A69 | A69-R71 PolarHBondContact O-N 2.91Š|
| 72 | V | 71.3 | Confident | 68.3 | Low | 32 Ų | 32 | 105 Ų | 105 | 19% | 0.194 | 54% | 0.539 | C | S | . | . | trans | -89.2 | 125.1 | 176.6 | -168.2 | 0 | 0 | 0 | 0 | 109.3 | T70 W86 E89 | T70-V72 PolarHBondContact O-N 3.43Å; V72-W86 HydrophobicContact CG1-CB 3.98Å; V72-W86 HydrophobicContact CG1-CG 4.49Å; V72-W86 PolarHBondContact O-NE1 3.4Å; V72-E89 HydrophobicContact CG2-CG 4.37Å | ||
| 73 | A | 76.2 | Confident | 69.7 | Low | 52 Ų | 52 | 97.4 Ų | 97.4 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | trans | -124.6 | 137.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 74 | I | 80.8 | Confident | 71.3 | Confident | 5 Ų | 5 | 88.4 Ų | 88.4 | 3% | 0.026 | 47% | 0.467 | C | S | . | . | trans | -103.4 | 148.6 | 177.8 | 57 | 167.3 | 0 | 0 | 0 | 110.5 | V83 W86 L108 F109 L132 Q135 | I74-V83 HydrophobicContact CG2-CG2 4.49Å; I74-W86 HydrophobicContact CB-CG 4.44Å; I74-W86 HydrophobicContact CD1-CD2 3.82Å; I74-W86 HydrophobicContact CD1-CE3 3.63Å; I74-W86 HydrophobicContact CD1-CG 4.41Å; I74-W86 HydrophobicContact CD1-CH2 4.26Å; I74-W86 HydrophobicContact CD1-CZ2 4.43Å; I74-W86 HydrophobicContact CD1-CZ3 3.86Å; I74-W86 HydrophobicContact CG1-CD2 3.9Å; I74-W86 HydrophobicContact CG1-CE3 4.24Å; I74-W86 HydrophobicContact CG1-CG 4.17Å; I74-W86 HydrophobicContact CG1-CZ2 4.41Å; I74-W86 HydrophobicContact CG2-CB 3.44Å; I74-W86 VanDerWaalsContact CG2-CB 3.44Å; I74-W86 HydrophobicContact CG2-CD2 4.11Å; I74-W86 HydrophobicContact CG2-CG 3.54Å; I74-L108 HydrophobicContact CD1-CD2 4.04Å; I74-F109 HydrophobicContact CD1-CE2 4.36Å; I74-F109 HydrophobicContact CD1-CZ 4.49Å; I74-F109 HydrophobicContact CG1-CE2 4.32Å; I74-F109 HydrophobicContact CG1-CZ 4.28Å; I74-L132 HydrophobicContact CD1-CD1 4.23Å; I74-Q135 HydrophobicContact CG1-CG 4.47Å | ||
| 75 | N | 80.1 | Confident | 73.1 | Confident | 79 Ų | 79 | 90.7 Ų | 90.7 | 42% | 0.422 | 46% | 0.462 | S | S | . | . | trans | -129.7 | 177 | 175.3 | 67.3 | 41.7 | 0 | 0 | 0 | 110 | K77 S78 F109 | N75-K77 PolarHBondContact O-N 2.95Å; N75-K77 VanDerWaalsContact O-N 3.15Å; N75-K77 VanDerWaalsContact OD1-C 3.29Å; N75-K77 VanDerWaalsContact OD1-CA 3.28Å; N75-K77 WeakPolarHBondContact OD1-CA 3.28Å; N75-K77 WeakPolarHBondContact OD1-CB 3.22Å; N75-K77 PolarHBondContact OD1-N 2.74Å; N75-S78 PolarHBondContact N-OG 2.75Å; N75-S78 VanDerWaalsContact O-CB 3.28Å; N75-S78 WeakPolarHBondContact O-CB 3.19Å; N75-S78 PolarHBondContact O-N 3.03Å; N75-S78 VanDerWaalsContact O-N 3.08Å; N75-S78 PolarHBondContact O-OG 3.26Å; N75-S78 PolarHBondContact OD1-N 2.84Å; N75-S78 PolarHBondContact OD1-OG 3.45Å; N75-F109 WeakPolarHBondContact O-CE2 3.4Å | ||
| 76 | E | 77.6 | Confident | 74.7 | Confident | 114 Ų | 114 | 85.4 Ų | 85.4 | 53% | 0.533 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -23.4 | -178.7 | -162 | -179.3 | 152.3 | 0 | 0 | 113.4 | A106 | E76-A106 HydrophobicContact CG-CB 3.99Å; E76-A106 WeakPolarHBondContact O-CA 3.41Å; E76-A106 WeakPolarHBondContact O-CB 3.49Å; E76-A106 PolarHBondContact O-N 2.85Å |
| 77 | K | 80.1 | Confident | 76.1 | Confident | 194 Ų | 194 | 78.9 Ų | 78.9 | 84% | 0.843 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 8.4 | 179.8 | -56.5 | -178 | 179 | -178.5 | 0 | 112.9 | N75 | N75-K77 PolarHBondContact O-N 2.95Å; N75-K77 VanDerWaalsContact O-N 3.15Å; N75-K77 VanDerWaalsContact OD1-C 3.29Å; N75-K77 VanDerWaalsContact OD1-CA 3.28Å; N75-K77 WeakPolarHBondContact OD1-CA 3.28Å; N75-K77 WeakPolarHBondContact OD1-CB 3.22Å; N75-K77 PolarHBondContact OD1-N 2.74Å |
| 78 | S | 82.4 | Confident | 77.8 | Confident | 12 Ų | 12 | 78 Ų | 78 | 8% | 0.084 | 38% | 0.382 | C | S | . | . | trans | -70.9 | 134 | 179.1 | -70.9 | 0 | 0 | 0 | 0 | 110.9 | N75 G105 | N75-S78 PolarHBondContact N-OG 2.75Å; N75-S78 VanDerWaalsContact O-CB 3.28Å; N75-S78 WeakPolarHBondContact O-CB 3.19Å; N75-S78 PolarHBondContact O-N 3.03Å; N75-S78 VanDerWaalsContact O-N 3.08Å; N75-S78 PolarHBondContact O-OG 3.26Å; N75-S78 PolarHBondContact OD1-N 2.84Å; N75-S78 PolarHBondContact OD1-OG 3.45Å; S78-G105 PolarHBondContact O-N 3.02Å | ||
| 79 | S | 86.4 | Confident | 79.3 | Confident | 59 Ų | 59 | 72.9 Ų | 72.9 | 41% | 0.413 | 37% | 0.366 | S | S | . | . | trans | -63.8 | 158.5 | 172.8 | -64 | 0 | 0 | 0 | 0 | 111.1 | E81 D82 V83 | S79-E81 PolarHBondContact O-N 3.2Å; S79-D82 WeakPolarHBondContact O-CB 3.45Å; S79-D82 PolarHBondContact O-N 2.99Å; S79-D82 VanDerWaalsContact O-N 3.07Å; S79-V83 PolarHBondContact O-N 3.18Å | ||
| 80 | P | 86.4 | Confident | 80.7 | Confident | 37 Ų | 37 | 70 Ų | 70 | 24% | 0.24 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.8 | -32.7 | -178.8 | 25.3 | -28.9 | 0 | 0 | 0 | 111.1 | D82 V83 T84 D104 | P80-D82 VanDerWaalsContact C-N 3.32Å; P80-D82 PolarHBondContact O-N 3.4Å; P80-V83 WeakPolarHBondContact O-CB 3.37Å; P80-V83 PolarHBondContact O-N 2.88Å; P80-T84 PolarHBondContact O-N 3.4Å; P80-T84 PolarHBondContact O-OG1 2.82Å; P80-T84 VanDerWaalsContact O-OG1 3.11Å; P80-D104 VanDerWaalsContact CD-OD1 3.25Å; P80-D104 WeakPolarHBondContact CD-OD1 3.42Å |
| 81 | E | 86.7 | Confident | 82 | Confident | 161 Ų | 161 | 72.2 Ų | 72.2 | 75% | 0.752 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -60.6 | -39 | 173.2 | -61 | -175.1 | 100.5 | 0 | 0 | 112.7 | S79 V83 T84 R85 | S79-E81 PolarHBondContact O-N 3.2Å; E81-V83 VanDerWaalsContact C-N 3.34Å; E81-T84 PolarHBondContact O-N 3.08Å; E81-R85 WeakPolarHBondContact O-CB 3.37Å; E81-R85 PolarHBondContact O-N 3.16Å |
| 82 | D | 85.9 | Confident | 83.1 | Confident | 68 Ų | 68 | 61.1 Ų | 61.1 | 36% | 0.364 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69.1 | -35.3 | 177.1 | -71.8 | -40.3 | 0 | 0 | 0 | 111.5 | S79 P80 W86 | S79-D82 WeakPolarHBondContact O-CB 3.45Å; S79-D82 PolarHBondContact O-N 2.99Å; S79-D82 VanDerWaalsContact O-N 3.07Å; P80-D82 VanDerWaalsContact C-N 3.32Å; P80-D82 PolarHBondContact O-N 3.4Å; D82-W86 WeakPolarHBondContact O-CB 3.47Å; D82-W86 PolarHBondContact O-N 3.43Å |
| 83 | V | 85.2 | Confident | 83.9 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.3 | -48.2 | 174.9 | 173.8 | 0 | 0 | 0 | 0 | 110.4 | I74 S79 P80 E81 R85 W86 L87 L108 | I74-V83 HydrophobicContact CG2-CG2 4.49Å; S79-V83 PolarHBondContact O-N 3.18Å; P80-V83 WeakPolarHBondContact O-CB 3.37Å; P80-V83 PolarHBondContact O-N 2.88Å; E81-V83 VanDerWaalsContact C-N 3.34Å; V83-R85 PolarHBondContact O-N 2.93Å; V83-W86 WeakPolarHBondContact O-CB 3.28Å; V83-W86 PolarHBondContact O-N 3.22Å; V83-W86 VanDerWaalsContact O-N 3.16Å; V83-L87 HydrophobicContact CG1-CD1 4.21Å; V83-L87 WeakPolarHBondContact O-CG 3.43Å; V83-L87 PolarHBondContact O-N 3.26Å; V83-L108 HydrophobicContact CG1-CD2 3.52Å |
| 84 | T | 86.8 | Confident | 84.3 | Confident | 19 Ų | 19 | 63.5 Ų | 63.5 | 12% | 0.117 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.9 | -46.7 | 176.6 | -58.7 | 0 | 0 | 0 | 0 | 110.9 | P80 E81 W86 L87 Q88 I97 D101 | P80-T84 PolarHBondContact O-N 3.4Å; P80-T84 PolarHBondContact O-OG1 2.82Å; P80-T84 VanDerWaalsContact O-OG1 3.11Å; E81-T84 PolarHBondContact O-N 3.08Å; T84-W86 VanDerWaalsContact C-N 3.31Å; T84-W86 PolarHBondContact O-N 2.99Å; T84-L87 PolarHBondContact O-N 2.97Å; T84-Q88 WeakPolarHBondContact O-CG 3.28Å; T84-Q88 PolarHBondContact O-N 3.44Å; T84-I97 HydrophobicContact CG2-CG2 3.58Å; T84-D101 PolarHBondContact OG1-OD1 2.79Å |
| 85 | R | 87.4 | Confident | 84.6 | Confident | 157 Ų | 157 | 70.9 Ų | 70.9 | 59% | 0.592 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62 | -38.6 | 176.2 | -171.3 | 179.3 | -173.2 | 177.5 | 5.5 | 112.5 | E81 V83 Q88 E89 | E81-R85 WeakPolarHBondContact O-CB 3.37Å; E81-R85 PolarHBondContact O-N 3.16Å; V83-R85 PolarHBondContact O-N 2.93Å; R85-Q88 PolarHBondContact O-N 2.72Å; R85-E89 WeakPolarHBondContact O-CB 3.42Å; R85-E89 PolarHBondContact O-N 2.96Å |
| 86 | W | 87 | Confident | 84.7 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.1 | -40.8 | 177.5 | 178.1 | 81.9 | 0 | 0 | 0 | 112.4 | V72 I74 D82 V83 T84 Q88 E89 K90 F92 L128 Q131 L132 | V72-W86 HydrophobicContact CG1-CB 3.98Å; V72-W86 HydrophobicContact CG1-CG 4.49Å; V72-W86 PolarHBondContact O-NE1 3.4Å; I74-W86 HydrophobicContact CB-CG 4.44Å; I74-W86 HydrophobicContact CD1-CD2 3.82Å; I74-W86 HydrophobicContact CD1-CE3 3.63Å; I74-W86 HydrophobicContact CD1-CG 4.41Å; I74-W86 HydrophobicContact CD1-CH2 4.26Å; I74-W86 HydrophobicContact CD1-CZ2 4.43Å; I74-W86 HydrophobicContact CD1-CZ3 3.86Å; I74-W86 HydrophobicContact CG1-CD2 3.9Å; I74-W86 HydrophobicContact CG1-CE3 4.24Å; I74-W86 HydrophobicContact CG1-CG 4.17Å; I74-W86 HydrophobicContact CG1-CZ2 4.41Å; I74-W86 HydrophobicContact CG2-CB 3.44Å; I74-W86 VanDerWaalsContact CG2-CB 3.44Å; I74-W86 HydrophobicContact CG2-CD2 4.11Å; I74-W86 HydrophobicContact CG2-CG 3.54Å; D82-W86 WeakPolarHBondContact O-CB 3.47Å; D82-W86 PolarHBondContact O-N 3.43Å; V83-W86 WeakPolarHBondContact O-CB 3.28Å; V83-W86 PolarHBondContact O-N 3.22Å; V83-W86 VanDerWaalsContact O-N 3.16Å; T84-W86 VanDerWaalsContact C-N 3.31Å; T84-W86 PolarHBondContact O-N 2.99Å; W86-Q88 VanDerWaalsContact C-N 3.35Å; W86-E89 PolarHBondContact O-N 2.97Å; W86-K90 HydrophobicContact CD2-CG 4.22Å; W86-K90 HydrophobicContact CZ2-CD 4.39Å; W86-K90 HydrophobicContact CZ2-CG 4.13Å; W86-K90 WeakPolarHBondContact O-CB 3.33Å; W86-K90 WeakPolarHBondContact O-CG 3.07Å; W86-K90 PolarHBondContact O-N 3.44Å; W86-K90 VanDerWaalsContact O-N 3.08Å; W86-F92 HydrophobicContact CH2-CE2 4.42Å; W86-F92 HydrophobicContact CZ3-CE2 4.22Å; W86-L128 HydrophobicContact CH2-CD1 3.81Å; W86-L128 HydrophobicContact CZ3-CD1 3.41Å; W86-L128 VanDerWaalsContact CZ3-CD1 3.41Å; W86-Q131 HydrophobicContact CH2-CB 3.71Å; W86-Q131 HydrophobicContact CZ2-CB 3.8Å; W86-L132 HydrophobicContact CH2-CD1 3.89Å; W86-L132 HydrophobicContact CZ3-CD1 4.09Å |
| 87 | L | 86.4 | Confident | 85.1 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63 | -41.8 | 174.9 | -69.7 | 169.1 | 0 | 0 | 0 | 111.4 | V83 T84 K90 G91 F92 I97 L100 L128 | V83-L87 HydrophobicContact CG1-CD1 4.21Å; V83-L87 WeakPolarHBondContact O-CG 3.43Å; V83-L87 PolarHBondContact O-N 3.26Å; T84-L87 PolarHBondContact O-N 2.97Å; L87-K90 PolarHBondContact O-N 3.23Å; L87-G91 PolarHBondContact O-N 2.9Å; L87-F92 HydrophobicContact CB-CB 4.45Å; L87-F92 HydrophobicContact CB-CD2 4.14Å; L87-F92 HydrophobicContact CD2-CB 4.48Å; L87-F92 HydrophobicContact CD2-CD2 3.48Å; L87-F92 VanDerWaalsContact CD2-CD2 3.48Å; L87-F92 HydrophobicContact CD2-CE2 3.71Å; L87-F92 HydrophobicContact CD2-CG 3.94Å; L87-F92 HydrophobicContact CD2-CZ 4.35Å; L87-F92 HydrophobicContact CG-CD2 4.43Å; L87-F92 WeakPolarHBondContact O-CD2 3.47Å; L87-F92 PolarHBondContact O-N 2.59Å; L87-F92 VanDerWaalsContact O-N 3.17Å; L87-I97 HydrophobicContact CB-CG1 3.75Å; L87-L100 HydrophobicContact CD1-CB 3.82Å; L87-L100 HydrophobicContact CD1-CD2 4.36Å; L87-L100 HydrophobicContact CD1-CG 4.49Å; L87-L128 HydrophobicContact CD2-CD1 3.71Å |
| 88 | Q | 86.7 | Confident | 85.4 | Confident | 115 Ų | 115 | 59.1 Ų | 59.1 | 54% | 0.537 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.5 | -47.8 | 175 | -72.1 | 172.7 | 5.7 | 0 | 0 | 112.3 | T84 R85 W86 K90 G91 I97 | T84-Q88 WeakPolarHBondContact O-CG 3.28Å; T84-Q88 PolarHBondContact O-N 3.44Å; R85-Q88 PolarHBondContact O-N 2.72Å; W86-Q88 VanDerWaalsContact C-N 3.35Å; Q88-K90 PolarHBondContact O-N 3.29Å; Q88-G91 PolarHBondContact O-N 2.99Å; Q88-I97 HydrophobicContact CB-CD1 4.41Å; Q88-I97 HydrophobicContact CG-CD1 3.61Å; Q88-I97 HydrophobicContact CG-CG1 4.43Å; Q88-I97 HydrophobicContact CG-CG2 4.43Å |
| 89 | E | 84.3 | Confident | 85.5 | Confident | 71 Ų | 71 | 62.8 Ų | 62.8 | 33% | 0.332 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.2 | -28.7 | -179.4 | -170.3 | 61.9 | -151.5 | 0 | 0 | 112.5 | R68 T70 V72 R85 W86 G91 | R68-E89 IonicContact NH2-OE1 3.72Å; R68-E89 PolarHBondContact NH2-OE1 3.22Å; T70-E89 HydrophobicContact CG2-CG 4.27Å; V72-E89 HydrophobicContact CG2-CG 4.37Å; R85-E89 WeakPolarHBondContact O-CB 3.42Å; R85-E89 PolarHBondContact O-N 2.96Å; W86-E89 PolarHBondContact O-N 2.97Å; E89-G91 VanDerWaalsContact C-N 3.3Å |
| 90 | K | 79.8 | Confident | 85.3 | Confident | 31 Ų | 31 | 60.3 Ų | 60.3 | 14% | 0.135 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -77.5 | -15.2 | 175.1 | -73.3 | -76.4 | 178.3 | -167.2 | 0 | 113.3 | T70 W86 L87 Q88 F92 | T70-K90 HydrophobicContact CG2-CD 3.5Å; T70-K90 VanDerWaalsContact CG2-CD 3.5Å; T70-K90 HydrophobicContact CG2-CG 4.1Å; T70-K90 VanDerWaalsContact CG2-NZ 3.28Å; T70-K90 WeakPolarHBondContact OG1-CE 3.19Å; T70-K90 PolarHBondContact OG1-NZ 3.12Å; W86-K90 HydrophobicContact CD2-CG 4.22Å; W86-K90 HydrophobicContact CZ2-CD 4.39Å; W86-K90 HydrophobicContact CZ2-CG 4.13Å; W86-K90 WeakPolarHBondContact O-CB 3.33Å; W86-K90 WeakPolarHBondContact O-CG 3.07Å; W86-K90 PolarHBondContact O-N 3.44Å; W86-K90 VanDerWaalsContact O-N 3.08Å; L87-K90 PolarHBondContact O-N 3.23Å; Q88-K90 PolarHBondContact O-N 3.29Å; K90-F92 HydrophobicContact CB-CD2 3.54Å; K90-F92 HydrophobicContact CB-CE2 3.48Å; K90-F92 VanDerWaalsContact CB-CE2 3.48Å; K90-F92 HydrophobicContact CG-CE2 4.07Å |
| 91 | G | 83.1 | Confident | 85 | Confident | 65 Ų | 65 | 63.3 Ų | 63.3 | 67% | 0.67 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | 31.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L87 Q88 E89 | L87-G91 PolarHBondContact O-N 2.9Å; Q88-G91 PolarHBondContact O-N 2.99Å; E89-G91 VanDerWaalsContact C-N 3.3Å |
| 92 | F | 85.2 | Confident | 84.7 | Confident | 13 Ų | 13 | 57.9 Ų | 57.9 | 6% | 0.057 | 31% | 0.312 | C | S | . | . | trans | -67 | 154.3 | 169.5 | -74.2 | -84.3 | 0 | 0 | 0 | 111 | W86 L87 K90 V96 I97 Y127 L128 | W86-F92 HydrophobicContact CH2-CE2 4.42Å; W86-F92 HydrophobicContact CZ3-CE2 4.22Å; L87-F92 HydrophobicContact CB-CB 4.45Å; L87-F92 HydrophobicContact CB-CD2 4.14Å; L87-F92 HydrophobicContact CD2-CB 4.48Å; L87-F92 HydrophobicContact CD2-CD2 3.48Å; L87-F92 VanDerWaalsContact CD2-CD2 3.48Å; L87-F92 HydrophobicContact CD2-CE2 3.71Å; L87-F92 HydrophobicContact CD2-CG 3.94Å; L87-F92 HydrophobicContact CD2-CZ 4.35Å; L87-F92 HydrophobicContact CG-CD2 4.43Å; L87-F92 WeakPolarHBondContact O-CD2 3.47Å; L87-F92 PolarHBondContact O-N 2.59Å; L87-F92 VanDerWaalsContact O-N 3.17Å; K90-F92 HydrophobicContact CB-CD2 3.54Å; K90-F92 HydrophobicContact CB-CE2 3.48Å; K90-F92 VanDerWaalsContact CB-CE2 3.48Å; K90-F92 HydrophobicContact CG-CE2 4.07Å; F92-V96 HydrophobicContact CB-CB 4.49Å; F92-V96 HydrophobicContact CB-CG1 4.38Å; F92-V96 HydrophobicContact CD1-CG1 4.29Å; F92-I97 HydrophobicContact CB-CG1 4.49Å; F92-Y127 AromaticContact CE1-CD1 3.56Å; F92-Y127 HydrophobicContact CE1-CD1 3.56Å; F92-Y127 HydrophobicContact CE1-CE1 4.28Å; F92-Y127 HydrophobicContact CE2-CD1 4.37Å; F92-Y127 HydrophobicContact CE2-CE1 4.35Å; F92-Y127 AromaticContact CZ-CD1 3.46Å; F92-Y127 HydrophobicContact CZ-CD1 3.46Å; F92-Y127 VanDerWaalsContact CZ-CD1 3.46Å; F92-Y127 AromaticContact CZ-CE1 3.85Å; F92-Y127 HydrophobicContact CZ-CE1 3.85Å; F92-L128 HydrophobicContact CE1-CB 3.91Å; F92-L128 HydrophobicContact CE1-CD1 4.43Å; F92-L128 HydrophobicContact CE2-CD1 4.28Å; F92-L128 HydrophobicContact CZ-CB 3.94Å; F92-L128 HydrophobicContact CZ-CD1 3.89Å | ||
| 93 | S | 86.9 | Confident | 84.5 | Confident | 42 Ų | 42 | 57.8 Ų | 57.8 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | trans | -57.6 | 141.2 | 175.6 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | R95 V96 I97 E124 | S93-R95 PolarHBondContact O-N 2.85Å; S93-R95 VanDerWaalsContact O-N 3.14Å; S93-V96 WeakPolarHBondContact O-CB 3.36Å; S93-V96 PolarHBondContact O-N 3.08Å; S93-I97 PolarHBondContact O-N 3.37Å; S93-I97 VanDerWaalsContact O-N 3.14Å; S93-E124 WeakPolarHBondContact CB-OE1 3.16Å; S93-E124 PolarHBondContact N-OE1 2.92Å; S93-E124 VanDerWaalsContact N-OE1 3.08Å | ||
| 94 | P | 85.3 | Confident | 84.4 | Confident | 92 Ų | 92 | 61.7 Ų | 61.7 | 60% | 0.597 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -54.4 | -33.9 | 175.6 | 20.7 | -32.2 | 0 | 0 | 0 | 112.2 | V96 I97 D98 | P94-V96 VanDerWaalsContact C-N 3.29Å; P94-V96 PolarHBondContact O-N 2.85Å; P94-I97 WeakPolarHBondContact O-CB 3.45Å; P94-I97 PolarHBondContact O-N 2.87Å; P94-I97 VanDerWaalsContact O-N 3.16Å; P94-D98 PolarHBondContact O-N 2.95Å |
| 95 | R | 86.1 | Confident | 84.1 | Confident | 160 Ų | 160 | 60.8 Ų | 60.8 | 60% | 0.604 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -58.1 | -40.4 | 173.9 | 173.8 | 179.4 | 142.2 | 152.7 | -1 | 112.6 | S93 L99 | S93-R95 PolarHBondContact O-N 2.85Å; S93-R95 VanDerWaalsContact O-N 3.14Å; R95-L99 HydrophobicContact CG-CD1 4.01Å; R95-L99 WeakPolarHBondContact O-CB 3.5Å; R95-L99 WeakPolarHBondContact O-CD1 3.43Å; R95-L99 PolarHBondContact O-N 2.79Å; R95-L99 VanDerWaalsContact O-N 3.1Å |
| 96 | V | 83.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -71.4 | -39.1 | 178.8 | 171.9 | 0 | 0 | 0 | 0 | 110.1 | F92 S93 P94 L99 L100 C120 E124 | F92-V96 HydrophobicContact CB-CB 4.49Å; F92-V96 HydrophobicContact CB-CG1 4.38Å; F92-V96 HydrophobicContact CD1-CG1 4.29Å; S93-V96 WeakPolarHBondContact O-CB 3.36Å; S93-V96 PolarHBondContact O-N 3.08Å; P94-V96 VanDerWaalsContact C-N 3.29Å; P94-V96 PolarHBondContact O-N 2.85Å; V96-L99 PolarHBondContact O-N 3.23Å; V96-L100 HydrophobicContact CG1-CD1 3.51Å; V96-L100 WeakPolarHBondContact O-CD1 3.35Å; V96-L100 PolarHBondContact O-N 3.15Å; V96-C120 HydrophobicContact CG1-CB 4.07Å; V96-C120 HydrophobicContact CG2-CB 3.91Å; V96-E124 HydrophobicContact CG2-CB 4.29Å; V96-E124 WeakPolarHBondContact CG2-OE2 3.37Å |
| 97 | I | 86 | Confident | 83.6 | Confident | 15 Ų | 15 | 58.3 Ų | 58.3 | 8% | 0.077 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.6 | -47.2 | 176.1 | -64.5 | 160.6 | 0 | 0 | 0 | 110.2 | T84 L87 Q88 F92 S93 P94 L99 L100 D101 | T84-I97 HydrophobicContact CG2-CG2 3.58Å; L87-I97 HydrophobicContact CB-CG1 3.75Å; Q88-I97 HydrophobicContact CB-CD1 4.41Å; Q88-I97 HydrophobicContact CG-CD1 3.61Å; Q88-I97 HydrophobicContact CG-CG1 4.43Å; Q88-I97 HydrophobicContact CG-CG2 4.43Å; F92-I97 HydrophobicContact CB-CG1 4.49Å; S93-I97 PolarHBondContact O-N 3.37Å; S93-I97 VanDerWaalsContact O-N 3.14Å; P94-I97 WeakPolarHBondContact O-CB 3.45Å; P94-I97 PolarHBondContact O-N 2.87Å; P94-I97 VanDerWaalsContact O-N 3.16Å; I97-L99 VanDerWaalsContact C-N 3.33Å; I97-L99 PolarHBondContact O-N 3.37Å; I97-L100 CarbonylContact O-C 3.04Å; I97-L100 PolarHBondContact O-N 2.86Å; I97-D101 PolarHBondContact O-N 3.01Å |
| 98 | D | 86.5 | Confident | 83.4 | Confident | 124 Ų | 124 | 58.3 Ų | 58.3 | 66% | 0.663 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64.3 | -36.1 | 177.5 | -66.2 | -23.5 | 0 | 0 | 0 | 112.6 | P94 L100 D101 | P94-D98 PolarHBondContact O-N 2.95Å; D98-L100 VanDerWaalsContact C-N 3.35Å; D98-D101 WeakPolarHBondContact O-CB 3.43Å; D98-D101 PolarHBondContact O-N 2.62Å |
| 99 | L | 84.3 | Confident | 83.1 | Confident | 90 Ų | 90 | 54.6 Ų | 54.6 | 47% | 0.471 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -69.7 | -30.9 | 178.2 | -106.1 | 141.5 | 0 | 0 | 0 | 113.3 | R95 V96 I97 | R95-L99 HydrophobicContact CG-CD1 4.01Å; R95-L99 WeakPolarHBondContact O-CB 3.5Å; R95-L99 WeakPolarHBondContact O-CD1 3.43Å; R95-L99 PolarHBondContact O-N 2.79Å; R95-L99 VanDerWaalsContact O-N 3.1Å; V96-L99 PolarHBondContact O-N 3.23Å; I97-L99 VanDerWaalsContact C-N 3.33Å; I97-L99 PolarHBondContact O-N 3.37Å |
| 100 | L | 81.2 | Confident | 83 | Confident | 7 Ų | 7 | 55.6 Ų | 55.6 | 4% | 0.037 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -98.1 | 1.5 | 178.2 | -79.7 | 105 | 0 | 0 | 0 | 113.4 | L87 V96 I97 D98 G102 Q103 L108 C120 L128 | L87-L100 HydrophobicContact CD1-CB 3.82Å; L87-L100 HydrophobicContact CD1-CD2 4.36Å; L87-L100 HydrophobicContact CD1-CG 4.49Å; V96-L100 HydrophobicContact CG1-CD1 3.51Å; V96-L100 WeakPolarHBondContact O-CD1 3.35Å; V96-L100 PolarHBondContact O-N 3.15Å; I97-L100 CarbonylContact O-C 3.04Å; I97-L100 PolarHBondContact O-N 2.86Å; D98-L100 VanDerWaalsContact C-N 3.35Å; L100-G102 PolarHBondContact O-N 2.97Å; L100-Q103 VanDerWaalsContact O-CB 3.32Å; L100-Q103 WeakPolarHBondContact O-CB 3.38Å; L100-Q103 WeakPolarHBondContact O-CG 3.48Å; L100-Q103 PolarHBondContact O-N 3.11Å; L100-Q103 VanDerWaalsContact O-N 3.1Å; L100-L108 HydrophobicContact CD2-CD1 3.26Å; L100-L108 HydrophobicContact CD2-CD2 4.17Å; L100-L108 HydrophobicContact CD2-CG 4.34Å; L100-C120 WeakPolarHBondContact CD1-SG 3.48Å; L100-L128 HydrophobicContact CD1-CD2 4.3Å; L100-L128 HydrophobicContact CD2-CD2 3.87Å |
| 101 | D | 81.1 | Confident | 83 | Confident | 100 Ų | 100 | 56.4 Ų | 56.4 | 54% | 0.535 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 133.9 | 178.5 | -163.5 | 61 | 0 | 0 | 0 | 110.2 | T84 I97 D98 Q103 | T84-D101 PolarHBondContact OG1-OD1 2.79Å; I97-D101 PolarHBondContact O-N 3.01Å; D98-D101 WeakPolarHBondContact O-CB 3.43Å; D98-D101 PolarHBondContact O-N 2.62Å; D101-Q103 VanDerWaalsContact C-N 3.33Å; D101-Q103 PolarHBondContact O-N 3.19Å |
| 102 | G | 80.3 | Confident | 82.8 | Confident | 46 Ų | 46 | 55.8 Ų | 55.8 | 47% | 0.474 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 7.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L100 | L100-G102 PolarHBondContact O-N 2.97Š|
| 103 | Q | 81.6 | Confident | 82.6 | Confident | 66 Ų | 66 | 60 Ų | 60 | 31% | 0.308 | 34% | 0.335 | S | S | . | . | trans | -92.1 | 120.9 | 171.9 | -57.7 | -64.6 | -89.2 | 0 | 0 | 111.2 | L100 D101 N107 | L100-Q103 VanDerWaalsContact O-CB 3.32Å; L100-Q103 WeakPolarHBondContact O-CB 3.38Å; L100-Q103 WeakPolarHBondContact O-CG 3.48Å; L100-Q103 PolarHBondContact O-N 3.11Å; L100-Q103 VanDerWaalsContact O-N 3.1Å; D101-Q103 VanDerWaalsContact C-N 3.33Å; D101-Q103 PolarHBondContact O-N 3.19Å; Q103-N107 PolarHBondContact OE1-ND2 3.46Å | ||
| 104 | D | 83.6 | Confident | 82.4 | Confident | 82 Ų | 82 | 63 Ų | 63 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | trans | -67.1 | 158 | 174.5 | -63.3 | -48.2 | 0 | 0 | 0 | 111.9 | P80 A106 N107 L108 | P80-D104 VanDerWaalsContact CD-OD1 3.25Å; P80-D104 WeakPolarHBondContact CD-OD1 3.42Å; D104-A106 VanDerWaalsContact C-N 3.26Å; D104-A106 PolarHBondContact O-N 3.46Å; D104-N107 PolarHBondContact O-N 2.82Å; D104-N107 VanDerWaalsContact O-N 3.09Å; D104-L108 WeakPolarHBondContact O-CB 3.26Å; D104-L108 PolarHBondContact O-N 2.73Å | ||
| 105 | G | 79.6 | Confident | 82.3 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -50.4 | -48.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S78 N107 L108 F109 | S78-G105 PolarHBondContact O-N 3.02Å; G105-N107 VanDerWaalsContact C-N 3.31Å; G105-N107 PolarHBondContact O-N 3.19Å; G105-L108 PolarHBondContact O-N 2.67Å; G105-L108 VanDerWaalsContact O-N 3.14Å; G105-F109 WeakPolarHBondContact O-CB 3.27Å; G105-F109 WeakPolarHBondContact O-CD2 3.42Å; G105-F109 PolarHBondContact O-N 2.95Å |
| 106 | A | 80.9 | Confident | 82.1 | Confident | 38 Ų | 38 | 55.8 Ų | 55.8 | 31% | 0.314 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -55.9 | -43.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | E76 D104 S110 | E76-A106 HydrophobicContact CG-CB 3.99Å; E76-A106 WeakPolarHBondContact O-CA 3.41Å; E76-A106 WeakPolarHBondContact O-CB 3.49Å; E76-A106 PolarHBondContact O-N 2.85Å; D104-A106 VanDerWaalsContact C-N 3.26Å; D104-A106 PolarHBondContact O-N 3.46Å; A106-S110 WeakPolarHBondContact O-CB 3.45Å; A106-S110 PolarHBondContact O-N 3.4Å; A106-S110 PolarHBondContact O-OG 3.16Å |
| 107 | N | 82.4 | Confident | 82.2 | Confident | 67 Ų | 67 | 58.3 Ų | 58.3 | 36% | 0.358 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -69 | -43.7 | 178.6 | -161.9 | 51.7 | 0 | 0 | 0 | 110.6 | Q103 D104 G105 F109 S110 L111 | Q103-N107 PolarHBondContact OE1-ND2 3.46Å; D104-N107 PolarHBondContact O-N 2.82Å; D104-N107 VanDerWaalsContact O-N 3.09Å; G105-N107 VanDerWaalsContact C-N 3.31Å; G105-N107 PolarHBondContact O-N 3.19Å; N107-F109 VanDerWaalsContact C-N 3.33Å; N107-F109 PolarHBondContact O-N 3.24Å; N107-S110 WeakPolarHBondContact O-CB 3.48Å; N107-S110 PolarHBondContact O-N 3.1Å; N107-L111 WeakPolarHBondContact O-CG 3.49Å; N107-L111 PolarHBondContact O-N 3.29Å |
| 108 | L | 82.6 | Confident | 82 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 178.7 | -169.1 | 54.1 | 0 | 0 | 0 | 112.7 | I74 V83 L100 D104 G105 S110 L111 L116 L128 L132 | I74-L108 HydrophobicContact CD1-CD2 4.04Å; V83-L108 HydrophobicContact CG1-CD2 3.52Å; L100-L108 HydrophobicContact CD2-CD1 3.26Å; L100-L108 HydrophobicContact CD2-CD2 4.17Å; L100-L108 HydrophobicContact CD2-CG 4.34Å; D104-L108 WeakPolarHBondContact O-CB 3.26Å; D104-L108 PolarHBondContact O-N 2.73Å; G105-L108 PolarHBondContact O-N 2.67Å; G105-L108 VanDerWaalsContact O-N 3.14Å; L108-S110 VanDerWaalsContact C-N 3.32Å; L108-L111 HydrophobicContact CD1-CD1 4.32Å; L108-L111 PolarHBondContact O-N 3.38Å; L108-L116 HydrophobicContact CD1-CD2 3.69Å; L108-L128 HydrophobicContact CD1-CD2 4.44Å; L108-L132 HydrophobicContact CB-CD2 4.49Å; L108-L132 HydrophobicContact CD2-CD1 4.14Å; L108-L132 HydrophobicContact CG-CD1 4.21Å; L108-L132 HydrophobicContact CG-CD2 3.8Å; L108-L132 WeakPolarHBondContact O-CD2 3.22Å |
| 109 | F | 79.4 | Confident | 81.6 | Confident | 38 Ų | 38 | 60 Ų | 60 | 17% | 0.167 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -72.5 | -23.1 | 174.6 | -79.5 | -74.5 | 0 | 0 | 0 | 113.5 | I74 N75 G105 N107 L132 Q135 K136 | I74-F109 HydrophobicContact CD1-CE2 4.36Å; I74-F109 HydrophobicContact CD1-CZ 4.49Å; I74-F109 HydrophobicContact CG1-CE2 4.32Å; I74-F109 HydrophobicContact CG1-CZ 4.28Å; N75-F109 WeakPolarHBondContact O-CE2 3.4Å; G105-F109 WeakPolarHBondContact O-CB 3.27Å; G105-F109 WeakPolarHBondContact O-CD2 3.42Å; G105-F109 PolarHBondContact O-N 2.95Å; N107-F109 VanDerWaalsContact C-N 3.33Å; N107-F109 PolarHBondContact O-N 3.24Å; F109-L132 HydrophobicContact CD1-CB 4.39Å; F109-L132 HydrophobicContact CD1-CD2 3.88Å; F109-L132 HydrophobicContact CD1-CG 4.05Å; F109-L132 HydrophobicContact CE1-CB 4.12Å; F109-L132 HydrophobicContact CE1-CD2 4.19Å; F109-L132 HydrophobicContact CE1-CG 3.84Å; F109-L132 WeakPolarHBondContact CE1-O 3.5Å; F109-L132 HydrophobicContact CG-CD2 4.18Å; F109-L132 HydrophobicContact CZ-CG 4.23Å; F109-Q135 HydrophobicContact CE1-CB 4.32Å; F109-Q135 HydrophobicContact CZ-CB 4.07Å; F109-K136 HydrophobicContact CE1-CB 4.31Å |
| 110 | S | 82.7 | Confident | 81.4 | Confident | 91 Ų | 91 | 55.9 Ų | 55.9 | 64% | 0.636 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -81.9 | -25.5 | 175.6 | -62.4 | 0 | 0 | 0 | 0 | 112.6 | A106 N107 L108 S112 | A106-S110 WeakPolarHBondContact O-CB 3.45Å; A106-S110 PolarHBondContact O-N 3.4Å; A106-S110 PolarHBondContact O-OG 3.16Å; N107-S110 WeakPolarHBondContact O-CB 3.48Å; N107-S110 PolarHBondContact O-N 3.1Å; L108-S110 VanDerWaalsContact C-N 3.32Å; S110-S112 PolarHBondContact O-N 2.91Å |
| 111 | L | 80.5 | Confident | 81.5 | Confident | 49 Ų | 49 | 57 Ų | 57 | 26% | 0.257 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -65.9 | 130.5 | 177.5 | -70.2 | 172.6 | 0 | 0 | 0 | 111.5 | N107 L108 H115 L116 | N107-L111 WeakPolarHBondContact O-CG 3.49Å; N107-L111 PolarHBondContact O-N 3.29Å; L108-L111 HydrophobicContact CD1-CD1 4.32Å; L108-L111 PolarHBondContact O-N 3.38Å; L111-H115 HydrophobicContact CD2-CB 4.13Å; L111-L116 HydrophobicContact CB-CD2 4.08Å; L111-L116 HydrophobicContact CB-CG 4.16Å; L111-L116 HydrophobicContact CD1-CD2 4.06Å |
| 112 | S | 79.6 | Confident | 81.5 | Confident | 52 Ų | 52 | 62.4 Ų | 62.4 | 36% | 0.364 | 34% | 0.339 | S | S | . | . | trans | -73.9 | 157.9 | 176.8 | 77.2 | 0 | 0 | 0 | 0 | 111.2 | S110 L114 H115 L116 | S110-S112 PolarHBondContact O-N 2.91Å; S112-L114 PolarHBondContact O-N 3.38Å; S112-L114 VanDerWaalsContact O-N 3.08Å; S112-H115 PolarHBondContact O-N 3.09Å; S112-H115 PolarHBondContact OG-ND1 2.76Å; S112-L116 PolarHBondContact O-N 3.08Å | ||
| 113 | K | 80 | Confident | 81.6 | Confident | 102 Ų | 102 | 67.1 Ų | 67.1 | 44% | 0.443 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -49.4 | -37.6 | 174.7 | -175.5 | -178.4 | 175.9 | -175.5 | 0 | 112.4 | Q117 Y129 | K113-Q117 HydrophobicContact CG-CG 4.42Å; K113-Q117 WeakPolarHBondContact O-CB 3.27Å; K113-Q117 VanDerWaalsContact O-CG 3.22Å; K113-Q117 WeakPolarHBondContact O-CG 3.44Å; K113-Q117 PolarHBondContact O-N 3.14Å; K113-Y129 HydrophobicContact CB-CD1 3.91Å; K113-Y129 HydrophobicContact CB-CD2 3.87Å; K113-Y129 HydrophobicContact CB-CE1 4.08Å; K113-Y129 HydrophobicContact CB-CE2 4.03Å; K113-Y129 HydrophobicContact CB-CG 3.79Å; K113-Y129 HydrophobicContact CD-CD1 3.97Å; K113-Y129 HydrophobicContact CD-CE1 4.25Å; K113-Y129 HydrophobicContact CG-CD1 3.9Å; K113-Y129 HydrophobicContact CG-CE1 4.41Å; K113-Y129 HydrophobicContact CG-CG 3.95Å |
| 114 | L | 82.8 | Confident | 81.8 | Confident | 104 Ų | 104 | 66.8 Ų | 66.8 | 55% | 0.545 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.9 | -45.7 | -179.8 | -174.4 | 66.1 | 0 | 0 | 0 | 111.6 | S112 Q117 Q118 | S112-L114 PolarHBondContact O-N 3.38Å; S112-L114 VanDerWaalsContact O-N 3.08Å; L114-Q117 PolarHBondContact O-N 3.36Å; L114-Q118 WeakPolarHBondContact O-CB 3.2Å; L114-Q118 WeakPolarHBondContact O-CG 3.05Å; L114-Q118 PolarHBondContact O-N 2.76Å |
| 115 | H | 82.6 | Confident | 81.8 | Confident | 99 Ų | 99 | 62.9 Ų | 62.9 | 46% | 0.458 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65 | -40.6 | 177.7 | -68.9 | 130.5 | 0 | 0 | 0 | 111.8 | L111 S112 Q117 Q118 A119 | L111-H115 HydrophobicContact CD2-CB 4.13Å; S112-H115 PolarHBondContact O-N 3.09Å; S112-H115 PolarHBondContact OG-ND1 2.76Å; H115-Q117 VanDerWaalsContact C-N 3.34Å; H115-Q117 PolarHBondContact O-N 2.84Å; H115-Q118 PolarHBondContact O-N 3.11Å; H115-A119 WeakPolarHBondContact O-CB 3.39Å; H115-A119 PolarHBondContact O-N 2.84Å |
| 116 | L | 82.9 | Confident | 82.1 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64 | -39.5 | 175.4 | -66.1 | 172.4 | 0 | 0 | 0 | 112 | L108 L111 S112 Q118 C120 G125 L128 Y129 | L108-L116 HydrophobicContact CD1-CD2 3.69Å; L111-L116 HydrophobicContact CB-CD2 4.08Å; L111-L116 HydrophobicContact CB-CG 4.16Å; L111-L116 HydrophobicContact CD1-CD2 4.06Å; S112-L116 PolarHBondContact O-N 3.08Å; L116-Q118 VanDerWaalsContact C-N 3.35Å; L116-C120 WeakPolarHBondContact O-CB 3.35Å; L116-C120 PolarHBondContact O-N 2.78Å; L116-C120 PolarHBondContact O-SG 3.46Å; L116-C120 VanDerWaalsContact O-SG 3.36Å; L116-G125 WeakPolarHBondContact O-CA 3.38Å; L116-L128 HydrophobicContact CD1-CG 4.5Å; L116-L128 HydrophobicContact CD2-CD2 3.85Å; L116-L128 HydrophobicContact CD2-CG 4.48Å; L116-Y129 HydrophobicContact CD1-CD2 3.98Å; L116-Y129 HydrophobicContact CD1-CG 4.46Å |
| 117 | Q | 85.9 | Confident | 82.2 | Confident | 53 Ų | 53 | 66.1 Ų | 66.1 | 25% | 0.248 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -69.2 | -31.4 | 175.3 | -74.2 | -177.1 | -46.4 | 0 | 0 | 113.2 | K113 L114 H115 G121 R122 | K113-Q117 HydrophobicContact CG-CG 4.42Å; K113-Q117 WeakPolarHBondContact O-CB 3.27Å; K113-Q117 VanDerWaalsContact O-CG 3.22Å; K113-Q117 WeakPolarHBondContact O-CG 3.44Å; K113-Q117 PolarHBondContact O-N 3.14Å; L114-Q117 PolarHBondContact O-N 3.36Å; H115-Q117 VanDerWaalsContact C-N 3.34Å; H115-Q117 PolarHBondContact O-N 2.84Å; Q117-G121 WeakPolarHBondContact CA-O 3.49Å; Q117-G121 CarbonylContact O-C 3.57Å; Q117-G121 WeakPolarHBondContact O-CA 3.44Å; Q117-G121 PolarHBondContact O-N 3.4Å; Q117-R122 PolarHBondContact NE2-O 3.47Å |
| 118 | Q | 81.9 | Confident | 82.4 | Confident | 133 Ų | 133 | 63 Ų | 63 | 62% | 0.621 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -72.8 | -43.2 | 174.6 | -76.1 | 175.4 | -26 | 0 | 0 | 111.7 | L114 H115 L116 | L114-Q118 WeakPolarHBondContact O-CB 3.2Å; L114-Q118 WeakPolarHBondContact O-CG 3.05Å; L114-Q118 PolarHBondContact O-N 2.76Å; H115-Q118 PolarHBondContact O-N 3.11Å; L116-Q118 VanDerWaalsContact C-N 3.35Å |
| 119 | A | 77.9 | Confident | 82.5 | Confident | 42 Ų | 42 | 67.2 Ų | 67.2 | 35% | 0.347 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -71.9 | -45.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | H115 | H115-A119 WeakPolarHBondContact O-CB 3.39Å; H115-A119 PolarHBondContact O-N 2.84Å |
| 120 | C | 80.1 | Confident | 82.7 | Confident | 3 Ų | 3 | 68.5 Ų | 68.5 | 2% | 0.02 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -103 | -6.2 | -171 | -44.9 | 0 | 0 | 0 | 0 | 113.5 | V96 L100 L116 E124 | V96-C120 HydrophobicContact CG1-CB 4.07Å; V96-C120 HydrophobicContact CG2-CB 3.91Å; L100-C120 WeakPolarHBondContact CD1-SG 3.48Å; L116-C120 WeakPolarHBondContact O-CB 3.35Å; L116-C120 PolarHBondContact O-N 2.78Å; L116-C120 PolarHBondContact O-SG 3.46Å; L116-C120 VanDerWaalsContact O-SG 3.36Å; C120-E124 HydrophobicContact CB-CB 4.21Å |
| 121 | G | 83.8 | Confident | 82.8 | Confident | 29 Ų | 29 | 64.6 Ų | 64.6 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | trans | 89.8 | 161.9 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113 | Q117 D123 G125 | Q117-G121 WeakPolarHBondContact CA-O 3.49Å; Q117-G121 CarbonylContact O-C 3.57Å; Q117-G121 WeakPolarHBondContact O-CA 3.44Å; Q117-G121 PolarHBondContact O-N 3.4Å; G121-D123 VanDerWaalsContact C-N 3.32Å; G121-D123 PolarHBondContact O-N 3.31Å; G121-G125 WeakPolarHBondContact O-CA 3.32Å; G121-G125 PolarHBondContact O-N 2.91Å | ||
| 122 | R | 81.3 | Confident | 82.8 | Confident | 215 Ų | 215 | 62.6 Ų | 62.6 | 81% | 0.811 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -60.4 | -39.5 | -170.4 | -175.3 | -178.7 | -70.1 | -164.3 | -0.5 | 113.2 | Q117 G126 | Q117-R122 PolarHBondContact NE2-O 3.47Å; R122-G126 PolarHBondContact O-N 3.38Å |
| 123 | D | 82.6 | Confident | 82.9 | Confident | 144 Ų | 144 | 63.3 Ų | 63.3 | 77% | 0.77 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -80.4 | -58 | -174.2 | -148.7 | -92.6 | 0 | 0 | 0 | 111.2 | G121 G125 G126 Y127 | G121-D123 VanDerWaalsContact C-N 3.32Å; G121-D123 PolarHBondContact O-N 3.31Å; D123-G125 PolarHBondContact O-N 3.38Å; D123-G126 PolarHBondContact O-N 2.89Å; D123-Y127 PolarHBondContact O-N 2.92Å |
| 124 | E | 85.2 | Confident | 82.9 | Confident | 59 Ų | 59 | 62.1 Ų | 62.1 | 28% | 0.276 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 179.7 | -63.1 | -170.4 | 103 | 0 | 0 | 112.3 | S93 V96 C120 G126 Y127 L128 | S93-E124 WeakPolarHBondContact CB-OE1 3.16Å; S93-E124 PolarHBondContact N-OE1 2.92Å; S93-E124 VanDerWaalsContact N-OE1 3.08Å; V96-E124 HydrophobicContact CG2-CB 4.29Å; V96-E124 WeakPolarHBondContact CG2-OE2 3.37Å; C120-E124 HydrophobicContact CB-CB 4.21Å; E124-G126 PolarHBondContact O-N 3.35Å; E124-Y127 PolarHBondContact O-N 3.3Å; E124-L128 VanDerWaalsContact O-CB 3.28Å; E124-L128 WeakPolarHBondContact O-CB 3.43Å; E124-L128 PolarHBondContact O-N 2.96Å |
| 125 | G | 84.3 | Confident | 82.7 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.5 | -33.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L116 G121 D123 Y129 | L116-G125 WeakPolarHBondContact O-CA 3.38Å; G121-G125 WeakPolarHBondContact O-CA 3.32Å; G121-G125 PolarHBondContact O-N 2.91Å; D123-G125 PolarHBondContact O-N 3.38Å; G125-Y129 WeakPolarHBondContact O-CB 3.29Å; G125-Y129 PolarHBondContact O-N 2.99Å |
| 126 | G | 84 | Confident | 82.3 | Confident | 20 Ų | 20 | 56.7 Ų | 56.7 | 21% | 0.206 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.1 | -41.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | R122 D123 E124 S130 | R122-G126 PolarHBondContact O-N 3.38Å; D123-G126 PolarHBondContact O-N 2.89Å; E124-G126 PolarHBondContact O-N 3.35Å; G126-S130 WeakPolarHBondContact O-CB 3.36Å; G126-S130 PolarHBondContact O-N 3Å; G126-S130 VanDerWaalsContact O-N 3.08Å |
| 127 | Y | 84.8 | Confident | 81.5 | Confident | 87 Ų | 87 | 63.1 Ų | 63.1 | 34% | 0.341 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64 | -46.2 | 175.3 | -174.7 | -112.6 | 0 | 0 | 0 | 111.7 | F92 D123 E124 S130 Q131 | F92-Y127 AromaticContact CE1-CD1 3.56Å; F92-Y127 HydrophobicContact CE1-CD1 3.56Å; F92-Y127 HydrophobicContact CE1-CE1 4.28Å; F92-Y127 HydrophobicContact CE2-CD1 4.37Å; F92-Y127 HydrophobicContact CE2-CE1 4.35Å; F92-Y127 AromaticContact CZ-CD1 3.46Å; F92-Y127 HydrophobicContact CZ-CD1 3.46Å; F92-Y127 VanDerWaalsContact CZ-CD1 3.46Å; F92-Y127 AromaticContact CZ-CE1 3.85Å; F92-Y127 HydrophobicContact CZ-CE1 3.85Å; D123-Y127 PolarHBondContact O-N 2.92Å; E124-Y127 PolarHBondContact O-N 3.3Å; Y127-S130 WeakPolarHBondContact O-CB 3.26Å; Y127-S130 PolarHBondContact O-N 2.87Å; Y127-Q131 HydrophobicContact CE1-CG 4.21Å; Y127-Q131 HydrophobicContact CE2-CG 4.45Å; Y127-Q131 WeakPolarHBondContact O-CG 3.25Å; Y127-Q131 PolarHBondContact O-N 2.97Å; Y127-Q131 PolarHBondContact OH-NE2 3.26Å |
| 128 | L | 84.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.7 | -49.8 | 176.3 | -179.7 | 56.7 | 0 | 0 | 0 | 112.1 | W86 L87 F92 L100 L108 L116 E124 S130 Q131 L132 | W86-L128 HydrophobicContact CH2-CD1 3.81Å; W86-L128 HydrophobicContact CZ3-CD1 3.41Å; W86-L128 VanDerWaalsContact CZ3-CD1 3.41Å; L87-L128 HydrophobicContact CD2-CD1 3.71Å; F92-L128 HydrophobicContact CE1-CB 3.91Å; F92-L128 HydrophobicContact CE1-CD1 4.43Å; F92-L128 HydrophobicContact CE2-CD1 4.28Å; F92-L128 HydrophobicContact CZ-CB 3.94Å; F92-L128 HydrophobicContact CZ-CD1 3.89Å; L100-L128 HydrophobicContact CD1-CD2 4.3Å; L100-L128 HydrophobicContact CD2-CD2 3.87Å; L108-L128 HydrophobicContact CD1-CD2 4.44Å; L116-L128 HydrophobicContact CD1-CG 4.5Å; L116-L128 HydrophobicContact CD2-CD2 3.85Å; L116-L128 HydrophobicContact CD2-CG 4.48Å; E124-L128 VanDerWaalsContact O-CB 3.28Å; E124-L128 WeakPolarHBondContact O-CB 3.43Å; E124-L128 PolarHBondContact O-N 2.96Å; L128-S130 VanDerWaalsContact C-N 3.33Å; L128-S130 PolarHBondContact O-N 2.91Å; L128-Q131 PolarHBondContact O-N 3.5Å; L128-L132 HydrophobicContact CD1-CD1 3.64Å; L128-L132 HydrophobicContact CG-CD1 4.13Å; L128-L132 WeakPolarHBondContact O-CD1 3.36Å; L128-L132 PolarHBondContact O-N 3.13Å |
| 129 | Y | 84.8 | Confident | 79.2 | Confident | 89 Ų | 89 | 67.1 Ų | 67.1 | 35% | 0.349 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 177.4 | -178.3 | -100.3 | 0 | 0 | 0 | 112.6 | K113 L116 G125 Q131 L132 L133 | K113-Y129 HydrophobicContact CB-CD1 3.91Å; K113-Y129 HydrophobicContact CB-CD2 3.87Å; K113-Y129 HydrophobicContact CB-CE1 4.08Å; K113-Y129 HydrophobicContact CB-CE2 4.03Å; K113-Y129 HydrophobicContact CB-CG 3.79Å; K113-Y129 HydrophobicContact CD-CD1 3.97Å; K113-Y129 HydrophobicContact CD-CE1 4.25Å; K113-Y129 HydrophobicContact CG-CD1 3.9Å; K113-Y129 HydrophobicContact CG-CE1 4.41Å; K113-Y129 HydrophobicContact CG-CG 3.95Å; L116-Y129 HydrophobicContact CD1-CD2 3.98Å; L116-Y129 HydrophobicContact CD1-CG 4.46Å; G125-Y129 WeakPolarHBondContact O-CB 3.29Å; G125-Y129 PolarHBondContact O-N 2.99Å; Y129-Q131 VanDerWaalsContact C-N 3.35Å; Y129-L132 PolarHBondContact O-N 2.72Å; Y129-L133 WeakPolarHBondContact O-CB 3.4Å; Y129-L133 PolarHBondContact O-N 2.74Å |
| 130 | S | 85.1 | Confident | 78.1 | Confident | 65 Ų | 65 | 67.5 Ų | 67.5 | 46% | 0.455 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61 | -45.5 | 175.6 | -173.1 | 0 | 0 | 0 | 0 | 111.2 | G126 Y127 L128 L133 V134 | G126-S130 WeakPolarHBondContact O-CB 3.36Å; G126-S130 PolarHBondContact O-N 3Å; G126-S130 VanDerWaalsContact O-N 3.08Å; Y127-S130 WeakPolarHBondContact O-CB 3.26Å; Y127-S130 PolarHBondContact O-N 2.87Å; L128-S130 VanDerWaalsContact C-N 3.33Å; L128-S130 PolarHBondContact O-N 2.91Å; S130-L133 WeakPolarHBondContact O-CB 3.48Å; S130-L133 PolarHBondContact O-N 2.69Å; S130-V134 WeakPolarHBondContact O-CG2 3.48Å; S130-V134 PolarHBondContact O-N 2.7Å |
| 131 | Q | 83.8 | Confident | 76.6 | Confident | 9 Ų | 9 | 73.3 Ų | 73.3 | 4% | 0.042 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 177.7 | -68.9 | -65.1 | -6.1 | 0 | 0 | 112.4 | W86 Y127 L128 Y129 L133 V134 Q135 | W86-Q131 HydrophobicContact CH2-CB 3.71Å; W86-Q131 HydrophobicContact CZ2-CB 3.8Å; Y127-Q131 HydrophobicContact CE1-CG 4.21Å; Y127-Q131 HydrophobicContact CE2-CG 4.45Å; Y127-Q131 WeakPolarHBondContact O-CG 3.25Å; Y127-Q131 PolarHBondContact O-N 2.97Å; Y127-Q131 PolarHBondContact OH-NE2 3.26Å; L128-Q131 PolarHBondContact O-N 3.5Å; Y129-Q131 VanDerWaalsContact C-N 3.35Å; Q131-L133 VanDerWaalsContact C-N 3.3Å; Q131-L133 PolarHBondContact O-N 2.69Å; Q131-V134 PolarHBondContact O-N 2.86Å; Q131-Q135 WeakPolarHBondContact O-CG 3.36Å; Q131-Q135 PolarHBondContact O-N 3.45Å |
| 132 | L | 81.7 | Confident | 74.9 | Confident | 8 Ų | 8 | 80.1 Ų | 80.1 | 4% | 0.042 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.5 | -43.5 | 172.5 | -102.1 | 76.1 | 0 | 0 | 0 | 111.6 | I74 W86 L108 F109 L128 Y129 V134 Q135 K136 | I74-L132 HydrophobicContact CD1-CD1 4.23Å; W86-L132 HydrophobicContact CH2-CD1 3.89Å; W86-L132 HydrophobicContact CZ3-CD1 4.09Å; L108-L132 HydrophobicContact CB-CD2 4.49Å; L108-L132 HydrophobicContact CD2-CD1 4.14Å; L108-L132 HydrophobicContact CG-CD1 4.21Å; L108-L132 HydrophobicContact CG-CD2 3.8Å; L108-L132 WeakPolarHBondContact O-CD2 3.22Å; F109-L132 HydrophobicContact CD1-CB 4.39Å; F109-L132 HydrophobicContact CD1-CD2 3.88Å; F109-L132 HydrophobicContact CD1-CG 4.05Å; F109-L132 HydrophobicContact CE1-CB 4.12Å; F109-L132 HydrophobicContact CE1-CD2 4.19Å; F109-L132 HydrophobicContact CE1-CG 3.84Å; F109-L132 WeakPolarHBondContact CE1-O 3.5Å; F109-L132 HydrophobicContact CG-CD2 4.18Å; F109-L132 HydrophobicContact CZ-CG 4.23Å; L128-L132 HydrophobicContact CD1-CD1 3.64Å; L128-L132 HydrophobicContact CG-CD1 4.13Å; L128-L132 WeakPolarHBondContact O-CD1 3.36Å; L128-L132 PolarHBondContact O-N 3.13Å; Y129-L132 PolarHBondContact O-N 2.72Å; L132-V134 VanDerWaalsContact C-N 3.31Å; L132-V134 PolarHBondContact O-N 3.17Å; L132-Q135 PolarHBondContact O-N 3.49Å; L132-Q135 VanDerWaalsContact O-N 3.16Å; L132-K136 WeakPolarHBondContact O-CB 3.39Å; L132-K136 PolarHBondContact O-N 3.45Å |
| 133 | L | 81.4 | Confident | 73.4 | Confident | 67 Ų | 67 | 75 Ų | 75 | 35% | 0.351 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.8 | -38.3 | 178.2 | -173.1 | 63.8 | 0 | 0 | 0 | 111.7 | Y129 S130 Q131 K136 K137 | Y129-L133 WeakPolarHBondContact O-CB 3.4Å; Y129-L133 PolarHBondContact O-N 2.74Å; S130-L133 WeakPolarHBondContact O-CB 3.48Å; S130-L133 PolarHBondContact O-N 2.69Å; Q131-L133 VanDerWaalsContact C-N 3.3Å; Q131-L133 PolarHBondContact O-N 2.69Å; L133-K136 PolarHBondContact O-N 3.18Å; L133-K137 HydrophobicContact CG-CD 4.47Å; L133-K137 WeakPolarHBondContact O-CB 3.22Å; L133-K137 VanDerWaalsContact O-CG 3.27Å; L133-K137 WeakPolarHBondContact O-CG 3.39Å; L133-K137 PolarHBondContact O-N 2.92Å |
| 134 | V | 79.7 | Confident | 71.8 | Confident | 76 Ų | 76 | 74.3 Ų | 74.3 | 46% | 0.461 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 172.4 | 176 | 0 | 0 | 0 | 0 | 110.7 | S130 Q131 L132 K137 R138 | S130-V134 WeakPolarHBondContact O-CG2 3.48Å; S130-V134 PolarHBondContact O-N 2.7Å; Q131-V134 PolarHBondContact O-N 2.86Å; L132-V134 VanDerWaalsContact C-N 3.31Å; L132-V134 PolarHBondContact O-N 3.17Å; V134-K137 PolarHBondContact O-N 3.01Å; V134-R138 VanDerWaalsContact O-CB 3.26Å; V134-R138 WeakPolarHBondContact O-CB 3.26Å; V134-R138 PolarHBondContact O-N 2.92Å |
| 135 | Q | 77.8 | Confident | 70.3 | Confident | 13 Ų | 13 | 75.3 Ų | 75.3 | 6% | 0.061 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 176.1 | -66 | -61.1 | -6.8 | 0 | 0 | 111.4 | I74 F109 Q131 L132 K137 R138 S139 | I74-Q135 HydrophobicContact CG1-CG 4.47Å; F109-Q135 HydrophobicContact CE1-CB 4.32Å; F109-Q135 HydrophobicContact CZ-CB 4.07Å; Q131-Q135 WeakPolarHBondContact O-CG 3.36Å; Q131-Q135 PolarHBondContact O-N 3.45Å; L132-Q135 PolarHBondContact O-N 3.49Å; L132-Q135 VanDerWaalsContact O-N 3.16Å; Q135-K137 VanDerWaalsContact C-N 3.34Å; Q135-K137 PolarHBondContact O-N 3.01Å; Q135-R138 CarbonylContact O-C 3.6Å; Q135-R138 WeakPolarHBondContact O-CB 3.36Å; Q135-R138 PolarHBondContact O-N 2.9Å; Q135-R138 VanDerWaalsContact O-N 3.08Å; Q135-S139 PolarHBondContact O-N 2.65Å; Q135-S139 PolarHBondContact O-OG 2.83Å |
| 136 | K | 74.3 | Confident | 69 | Low | 76 Ų | 76 | 77.2 Ų | 77.2 | 33% | 0.33 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -57.6 | -44 | 177.2 | -172.5 | 167.9 | -176.8 | 167.5 | 0 | 112.2 | F109 L132 L133 S139 F141 | F109-K136 HydrophobicContact CE1-CB 4.31Å; L132-K136 WeakPolarHBondContact O-CB 3.39Å; L132-K136 PolarHBondContact O-N 3.45Å; L133-K136 PolarHBondContact O-N 3.18Å; K136-S139 WeakPolarHBondContact CA-OG 3.27Å; K136-S139 PolarHBondContact O-OG 2.72Å; K136-F141 HydrophobicContact CD-CD2 4.26Å; K136-F141 HydrophobicContact CD-CG 4.35Å; K136-F141 HydrophobicContact CG-CB 3.85Å; K136-F141 HydrophobicContact CG-CD2 3.59Å; K136-F141 HydrophobicContact CG-CE2 4.32Å; K136-F141 HydrophobicContact CG-CG 3.8Å; K136-F141 WeakPolarHBondContact O-CB 3.12Å; K136-F141 PolarHBondContact O-N 3.11Å |
| 137 | K | 66.9 | Low | 67.8 | Low | 138 Ų | 138 | 79.3 Ų | 79.3 | 60% | 0.6 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -66.6 | -40.5 | 175.1 | -73.2 | 178.2 | 178.8 | -173.6 | 0 | 112 | L133 V134 Q135 G140 | L133-K137 HydrophobicContact CG-CD 4.47Å; L133-K137 WeakPolarHBondContact O-CB 3.22Å; L133-K137 VanDerWaalsContact O-CG 3.27Å; L133-K137 WeakPolarHBondContact O-CG 3.39Å; L133-K137 PolarHBondContact O-N 2.92Å; V134-K137 PolarHBondContact O-N 3.01Å; Q135-K137 VanDerWaalsContact C-N 3.34Å; Q135-K137 PolarHBondContact O-N 3.01Å; K137-G140 PolarHBondContact O-N 2.98Å; K137-G140 VanDerWaalsContact O-N 3.12Å |
| 138 | R | 63.3 | Low | 66.9 | Low | 188 Ų | 188 | 79.7 Ų | 79.7 | 71% | 0.709 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -67.5 | -34.9 | 178.9 | -173.1 | 176.5 | 178.4 | 175.8 | -1.6 | 112.3 | V134 Q135 G140 | V134-R138 VanDerWaalsContact O-CB 3.26Å; V134-R138 WeakPolarHBondContact O-CB 3.26Å; V134-R138 PolarHBondContact O-N 2.92Å; Q135-R138 CarbonylContact O-C 3.6Å; Q135-R138 WeakPolarHBondContact O-CB 3.36Å; Q135-R138 PolarHBondContact O-N 2.9Å; Q135-R138 VanDerWaalsContact O-N 3.08Å; R138-G140 PolarHBondContact O-N 3.33Å |
| 139 | S | 57 | Low | 66.3 | Low | 82 Ų | 82 | 84.5 Ų | 84.5 | 57% | 0.573 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | 3.6 | 172.5 | 47.9 | 0 | 0 | 0 | 0 | 114 | Q135 K136 | Q135-S139 PolarHBondContact O-N 2.65Å; Q135-S139 PolarHBondContact O-OG 2.83Å; K136-S139 WeakPolarHBondContact CA-OG 3.27Å; K136-S139 PolarHBondContact O-OG 2.72Å |
| 140 | G | 54.4 | Low | 65.7 | Low | 50 Ų | 50 | 87.1 Ų | 87.1 | 52% | 0.515 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | 21.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | K137 R138 R142 | K137-G140 PolarHBondContact O-N 2.98Å; K137-G140 VanDerWaalsContact O-N 3.12Å; R138-G140 PolarHBondContact O-N 3.33Å; G140-R142 PolarHBondContact O-N 3.45Å |
| 141 | F | 48.4 | Very low | 65.3 | Low | 124 Ų | 124 | 87 Ų | 87 | 54% | 0.544 | 45% | 0.452 | S | S | . | . | trans | -65.5 | 89 | 164.3 | -100.8 | -89.6 | 0 | 0 | 0 | 109.5 | K136 | K136-F141 HydrophobicContact CD-CD2 4.26Å; K136-F141 HydrophobicContact CD-CG 4.35Å; K136-F141 HydrophobicContact CG-CB 3.85Å; K136-F141 HydrophobicContact CG-CD2 3.59Å; K136-F141 HydrophobicContact CG-CE2 4.32Å; K136-F141 HydrophobicContact CG-CG 3.8Å; K136-F141 WeakPolarHBondContact O-CB 3.12Å; K136-F141 PolarHBondContact O-N 3.11Å | ||
| 142 | R | 48.5 | Very low | 64.9 | Low | 172 Ų | 172 | 90.5 Ų | 90.5 | 65% | 0.649 | 47% | 0.47 | S | S | * | . | trans | -77.2 | 122.7 | 163.4 | -67.1 | -178.3 | 177.7 | -146.4 | -0.9 | 107.1 | G140 H144 D147 | G140-R142 PolarHBondContact O-N 3.45Å; R142-H144 PolarHBondContact O-N 3.11Å; R142-D147 IonicContact NH1-OD1 3.01Å; R142-D147 PolarHBondContact NH1-OD1 2.78Å | ||
| 143 | T | 48.6 | Very low | 64.8 | Low | 108 Ų | 108 | 95.7 Ų | 95.7 | 66% | 0.663 | 50% | 0.498 | S | S | * | . | trans | -59.9 | 121.9 | 156.7 | 47.5 | 0 | 0 | 0 | 0 | 106.4 | T145 G146 | T143-T145 PolarHBondContact O-N 3.48Å; T143-G146 PolarHBondContact O-N 3.08Å | ||
| 144 | H | 50.2 | Low | 64.7 | Low | 129 Ų | 129 | 97.3 Ų | 97.3 | 60% | 0.597 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.9 | -23 | -178.2 | -153.6 | -97.7 | 0 | 0 | 0 | 113.5 | R142 G146 D147 E148 | R142-H144 PolarHBondContact O-N 3.11Å; H144-G146 VanDerWaalsContact C-N 3.26Å; H144-G146 PolarHBondContact O-N 3.36Å; H144-D147 PolarHBondContact O-N 3.45Å; H144-D147 VanDerWaalsContact O-N 3.11Å; H144-E148 IonicContact CE1-OE1 2.95Å; H144-E148 IonicContact CG-OE1 3.77Å; H144-E148 IonicContact ND1-OE1 2.79Å; H144-E148 PolarHBondContact ND1-OE1 3.49Å; H144-E148 WeakPolarHBondContact O-CG 3.39Å; H144-E148 PolarHBondContact O-N 3.11Å |
| 145 | T | 53.5 | Low | 64.4 | Low | 80 Ų | 80 | 99.8 Ų | 99.8 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -49.3 | -37 | 172.1 | -38.6 | 0 | 0 | 0 | 0 | 114.6 | T143 L149 | T143-T145 PolarHBondContact O-N 3.48Å; T145-L149 HydrophobicContact CG2-CD1 4.44Å; T145-L149 WeakPolarHBondContact O-CB 3.32Å; T145-L149 VanDerWaalsContact O-CG 3.27Å; T145-L149 WeakPolarHBondContact O-CG 3.08Å; T145-L149 PolarHBondContact O-N 3.45Å; T145-L149 VanDerWaalsContact O-N 3.09Å |
| 146 | G | 56.7 | Low | 64.1 | Low | 40 Ų | 40 | 107 Ų | 107 | 41% | 0.412 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -72.7 | -37.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T143 H144 K150 | T143-G146 PolarHBondContact O-N 3.08Å; H144-G146 VanDerWaalsContact C-N 3.26Å; H144-G146 PolarHBondContact O-N 3.36Å; G146-K150 VanDerWaalsContact O-CB 3.29Å; G146-K150 WeakPolarHBondContact O-CB 3.5Å; G146-K150 PolarHBondContact O-N 2.83Å; G146-K150 VanDerWaalsContact O-N 3.08Å |
| 147 | D | 58.8 | Low | 64 | Low | 64 Ų | 64 | 111.2 Ų | 111.2 | 34% | 0.342 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -77.8 | -34 | 178.8 | -66.7 | -36.5 | 0 | 0 | 0 | 110.9 | R142 H144 K150 A151 | R142-D147 IonicContact NH1-OD1 3.01Å; R142-D147 PolarHBondContact NH1-OD1 2.78Å; H144-D147 PolarHBondContact O-N 3.45Å; H144-D147 VanDerWaalsContact O-N 3.11Å; D147-K150 PolarHBondContact O-N 2.74Å; D147-A151 WeakPolarHBondContact O-CB 3.49Å; D147-A151 PolarHBondContact O-N 2.68Å |
| 148 | E | 65.2 | Low | 63.9 | Low | 96 Ų | 96 | 107.5 Ų | 107.5 | 45% | 0.449 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.9 | -50.4 | 170.7 | -73.9 | 167.9 | -168.1 | 0 | 0 | 112.3 | H144 K150 A151 I152 | H144-E148 IonicContact CE1-OE1 2.95Å; H144-E148 IonicContact CG-OE1 3.77Å; H144-E148 IonicContact ND1-OE1 2.79Å; H144-E148 PolarHBondContact ND1-OE1 3.49Å; H144-E148 WeakPolarHBondContact O-CG 3.39Å; H144-E148 PolarHBondContact O-N 3.11Å; E148-K150 VanDerWaalsContact C-N 3.28Å; E148-K150 PolarHBondContact O-N 2.65Å; E148-A151 WeakPolarHBondContact O-CB 3.48Å; E148-A151 PolarHBondContact O-N 3.37Å; E148-A151 VanDerWaalsContact O-N 3.16Å; E148-I152 VanDerWaalsContact O-CG1 3.32Å; E148-I152 WeakPolarHBondContact O-CG1 3.47Å; E148-I152 PolarHBondContact O-N 3.49Å |
| 149 | L | 71.6 | Confident | 63.6 | Low | 100 Ų | 100 | 103.8 Ų | 103.8 | 52% | 0.524 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60 | -41 | 175.8 | -74 | 171.8 | 0 | 0 | 0 | 111.2 | T145 A151 I152 L153 | T145-L149 HydrophobicContact CG2-CD1 4.44Å; T145-L149 WeakPolarHBondContact O-CB 3.32Å; T145-L149 VanDerWaalsContact O-CG 3.27Å; T145-L149 WeakPolarHBondContact O-CG 3.08Å; T145-L149 PolarHBondContact O-N 3.45Å; T145-L149 VanDerWaalsContact O-N 3.09Å; L149-A151 VanDerWaalsContact C-N 3.35Å; L149-I152 PolarHBondContact O-N 2.98Å; L149-L153 WeakPolarHBondContact O-CB 3.29Å; L149-L153 VanDerWaalsContact O-CG 3.22Å; L149-L153 WeakPolarHBondContact O-CG 3.38Å; L149-L153 PolarHBondContact O-N 3.09Å |
| 150 | K | 73.9 | Confident | 63.8 | Low | 144 Ų | 144 | 104.4 Ų | 104.4 | 63% | 0.626 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.5 | -38.8 | 176.4 | -167.3 | 175.8 | -179.3 | -176.4 | 0 | 111.8 | G146 D147 E148 N154 | G146-K150 VanDerWaalsContact O-CB 3.29Å; G146-K150 WeakPolarHBondContact O-CB 3.5Å; G146-K150 PolarHBondContact O-N 2.83Å; G146-K150 VanDerWaalsContact O-N 3.08Å; D147-K150 PolarHBondContact O-N 2.74Å; E148-K150 VanDerWaalsContact C-N 3.28Å; E148-K150 PolarHBondContact O-N 2.65Å; K150-N154 VanDerWaalsContact O-CB 3.27Å; K150-N154 WeakPolarHBondContact O-CB 3.34Å; K150-N154 PolarHBondContact O-N 3.03Å |
| 151 | A | 75.6 | Confident | 63.9 | Low | 62 Ų | 62 | 107.7 Ų | 107.7 | 51% | 0.512 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | D147 E148 L149 N154 H155 | D147-A151 WeakPolarHBondContact O-CB 3.49Å; D147-A151 PolarHBondContact O-N 2.68Å; E148-A151 WeakPolarHBondContact O-CB 3.48Å; E148-A151 PolarHBondContact O-N 3.37Å; E148-A151 VanDerWaalsContact O-N 3.16Å; L149-A151 VanDerWaalsContact C-N 3.35Å; A151-N154 PolarHBondContact O-N 2.81Å; A151-H155 WeakPolarHBondContact O-CB 3.31Å; A151-H155 PolarHBondContact O-N 2.73Å |
| 152 | I | 74.6 | Confident | 64.2 | Low | 83 Ų | 83 | 108.4 Ų | 108.4 | 43% | 0.426 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 176.4 | -66.3 | 163.8 | 0 | 0 | 0 | 111 | E148 L149 H155 R156 | E148-I152 VanDerWaalsContact O-CG1 3.32Å; E148-I152 WeakPolarHBondContact O-CG1 3.47Å; E148-I152 PolarHBondContact O-N 3.49Å; L149-I152 PolarHBondContact O-N 2.98Å; I152-H155 PolarHBondContact O-N 3.09Å; I152-R156 WeakPolarHBondContact O-CG 3.33Å; I152-R156 PolarHBondContact O-N 3.36Å |
| 153 | L | 81.5 | Confident | 64.5 | Low | 117 Ų | 117 | 104 Ų | 104 | 61% | 0.613 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.4 | -40.8 | 177.6 | -71.9 | 171.6 | 0 | 0 | 0 | 111.6 | L149 R156 R157 | L149-L153 WeakPolarHBondContact O-CB 3.29Å; L149-L153 VanDerWaalsContact O-CG 3.22Å; L149-L153 WeakPolarHBondContact O-CG 3.38Å; L149-L153 PolarHBondContact O-N 3.09Å; L153-R156 PolarHBondContact O-N 3.28Å; L153-R157 VanDerWaalsContact O-CB 3.31Å; L153-R157 WeakPolarHBondContact O-CB 3.35Å; L153-R157 PolarHBondContact O-N 2.85Å |
| 154 | N | 77.8 | Confident | 64.9 | Low | 102 Ų | 102 | 105.5 Ų | 105.5 | 55% | 0.545 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.1 | -44.1 | 177.5 | -161.1 | 49.8 | 0 | 0 | 0 | 111.5 | K150 A151 R156 R157 T158 | K150-N154 VanDerWaalsContact O-CB 3.27Å; K150-N154 WeakPolarHBondContact O-CB 3.34Å; K150-N154 PolarHBondContact O-N 3.03Å; A151-N154 PolarHBondContact O-N 2.81Å; N154-R156 PolarHBondContact O-N 3.32Å; N154-R157 WeakPolarHBondContact O-CB 3.43Å; N154-R157 PolarHBondContact O-N 3.31Å; N154-T158 WeakPolarHBondContact O-CG2 3.31Å; N154-T158 PolarHBondContact O-N 2.91Å; N154-T158 PolarHBondContact O-OG1 3.36Å |
| 155 | H | 74.1 | Confident | 64.9 | Low | 127 Ų | 127 | 107.8 Ų | 107.8 | 59% | 0.588 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.1 | -42.7 | 176.8 | -176.4 | 70.1 | 0 | 0 | 0 | 112.5 | A151 I152 T158 H159 | A151-H155 WeakPolarHBondContact O-CB 3.31Å; A151-H155 PolarHBondContact O-N 2.73Å; I152-H155 PolarHBondContact O-N 3.09Å; H155-T158 WeakPolarHBondContact CA-OG1 3.34Å; H155-T158 PolarHBondContact O-OG1 2.9Å; H155-H159 WeakPolarHBondContact O-CB 3.43Å; H155-H159 PolarHBondContact O-N 2.96Å |
| 156 | R | 71.9 | Confident | 64.6 | Low | 166 Ų | 166 | 108.3 Ų | 108.3 | 63% | 0.626 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.1 | -38.7 | 174.5 | -72.8 | 178.6 | -179.9 | -177.1 | 0.4 | 112 | I152 L153 N154 H159 V160 | I152-R156 WeakPolarHBondContact O-CG 3.33Å; I152-R156 PolarHBondContact O-N 3.36Å; L153-R156 PolarHBondContact O-N 3.28Å; N154-R156 PolarHBondContact O-N 3.32Å; R156-H159 PolarHBondContact O-N 3.36Å; R156-V160 VanDerWaalsContact O-CG2 3.29Å; R156-V160 WeakPolarHBondContact O-CG2 3.34Å; R156-V160 PolarHBondContact O-N 3.42Å |
| 157 | R | 72.4 | Confident | 64.2 | Low | 163 Ų | 163 | 111 Ų | 111 | 62% | 0.615 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63 | -46.5 | 177.1 | -172.7 | 167.6 | -177.5 | 94.6 | 9.4 | 111.6 | L153 N154 H159 V160 E161 | L153-R157 VanDerWaalsContact O-CB 3.31Å; L153-R157 WeakPolarHBondContact O-CB 3.35Å; L153-R157 PolarHBondContact O-N 2.85Å; N154-R157 WeakPolarHBondContact O-CB 3.43Å; N154-R157 PolarHBondContact O-N 3.31Å; R157-H159 VanDerWaalsContact C-N 3.33Å; R157-H159 PolarHBondContact O-N 3.43Å; R157-V160 PolarHBondContact O-N 2.9Å; R157-E161 IonicContact NE-OE1 3.69Å; R157-E161 IonicContact NH2-OE1 3.72Å; R157-E161 PolarHBondContact O-N 3.13Å; R157-E161 VanDerWaalsContact O-N 3.08Å |
| 158 | T | 63.4 | Low | 64 | Low | 61 Ų | 61 | 112.9 Ų | 112.9 | 37% | 0.374 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.8 | -35.9 | 176.4 | 52.4 | 0 | 0 | 0 | 0 | 112.5 | N154 H155 E161 L162 | N154-T158 WeakPolarHBondContact O-CG2 3.31Å; N154-T158 PolarHBondContact O-N 2.91Å; N154-T158 PolarHBondContact O-OG1 3.36Å; H155-T158 WeakPolarHBondContact CA-OG1 3.34Å; H155-T158 PolarHBondContact O-OG1 2.9Å; T158-E161 PolarHBondContact O-N 3.44Å; T158-L162 WeakPolarHBondContact O-CG 3.27Å; T158-L162 PolarHBondContact O-N 2.99Å; T158-L162 VanDerWaalsContact O-N 3.11Å |
| 159 | H | 58.6 | Low | 63.6 | Low | 110 Ų | 110 | 115.1 Ų | 115.1 | 51% | 0.509 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -69.5 | -36.7 | 177.3 | -170.9 | -63.2 | 0 | 0 | 0 | 112.5 | H155 R156 R157 L162 S163 | H155-H159 WeakPolarHBondContact O-CB 3.43Å; H155-H159 PolarHBondContact O-N 2.96Å; R156-H159 PolarHBondContact O-N 3.36Å; R157-H159 VanDerWaalsContact C-N 3.33Å; R157-H159 PolarHBondContact O-N 3.43Å; H159-L162 PolarHBondContact O-N 3.47Å; H159-S163 PolarHBondContact O-N 2.95Å; H159-S163 VanDerWaalsContact O-N 3.11Å; H159-S163 PolarHBondContact O-OG 2.99Å; H159-S163 VanDerWaalsContact O-OG 3.11Å |
| 160 | V | 60.1 | Low | 63.1 | Low | 94 Ų | 94 | 118.5 Ų | 118.5 | 57% | 0.57 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -69.5 | -36.9 | 176.2 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | R156 R157 S163 N164 | R156-V160 VanDerWaalsContact O-CG2 3.29Å; R156-V160 WeakPolarHBondContact O-CG2 3.34Å; R156-V160 PolarHBondContact O-N 3.42Å; R157-V160 PolarHBondContact O-N 2.9Å; V160-S163 PolarHBondContact O-N 3.33Å; V160-N164 PolarHBondContact O-N 2.96Å |
| 161 | E | 55.8 | Low | 62.3 | Low | 119 Ų | 119 | 116 Ų | 116 | 56% | 0.556 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.8 | -35.5 | 174.7 | -73.1 | 177.4 | -179.9 | 0 | 0 | 112 | R157 T158 N164 | R157-E161 IonicContact NE-OE1 3.69Å; R157-E161 IonicContact NH2-OE1 3.72Å; R157-E161 PolarHBondContact O-N 3.13Å; R157-E161 VanDerWaalsContact O-N 3.08Å; T158-E161 PolarHBondContact O-N 3.44Å; E161-N164 PolarHBondContact O-N 3.28Å |
| 162 | L | 56.1 | Low | 61.4 | Low | 140 Ų | 140 | 119 Ų | 119 | 73% | 0.733 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -71.2 | -29.4 | 174.2 | -73.6 | 164.8 | 0 | 0 | 0 | 114 | T158 H159 N164 | T158-L162 WeakPolarHBondContact O-CG 3.27Å; T158-L162 PolarHBondContact O-N 2.99Å; T158-L162 VanDerWaalsContact O-N 3.11Å; H159-L162 PolarHBondContact O-N 3.47Å; L162-N164 VanDerWaalsContact C-N 3.28Å; L162-N164 PolarHBondContact O-N 3Å |
| 163 | S | 54.6 | Low | 60.6 | Low | 80 Ų | 80 | 123.7 Ų | 123.7 | 56% | 0.559 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -4.9 | 178.5 | -61.6 | 0 | 0 | 0 | 0 | 113.9 | H159 V160 | H159-S163 PolarHBondContact O-N 2.95Å; H159-S163 VanDerWaalsContact O-N 3.11Å; H159-S163 PolarHBondContact O-OG 2.99Å; H159-S163 VanDerWaalsContact O-OG 3.11Å; V160-S163 PolarHBondContact O-N 3.33Å |
| 164 | N | 56.2 | Low | 59.5 | Low | 139 Ų | 139 | 123.1 Ų | 123.1 | 74% | 0.743 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | 6.3 | -179.8 | -111.9 | 27.4 | 0 | 0 | 0 | 114.1 | V160 E161 L162 A166 | V160-N164 PolarHBondContact O-N 2.96Å; E161-N164 PolarHBondContact O-N 3.28Å; L162-N164 VanDerWaalsContact C-N 3.28Å; L162-N164 PolarHBondContact O-N 3Å; N164-A166 VanDerWaalsContact C-N 3.32Å; N164-A166 PolarHBondContact O-N 3.35Å |
| 165 | E | 49.8 | Very low | 58.7 | Low | 177 Ų | 177 | 125.7 Ų | 125.7 | 83% | 0.827 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -76.6 | 90.6 | 166.3 | -160.8 | 124.7 | 98.7 | 0 | 0 | 108 | A167 | E165-A167 PolarHBondContact O-N 3.42Å; E165-A167 VanDerWaalsContact O-N 3.09Å |
| 166 | A | 47.6 | Very low | 57.5 | Low | 90 Ų | 90 | 125.9 Ų | 125.9 | 74% | 0.744 | 68% | 0.684 | S | S | * | * | trans | -53 | 115 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | N164 A168 | N164-A166 VanDerWaalsContact C-N 3.32Å; N164-A166 PolarHBondContact O-N 3.35Å; A166-A168 VanDerWaalsContact C-N 3.28Å; A166-A168 PolarHBondContact O-N 3.48Å | ||
| 167 | A | 49.5 | Very low | 56.9 | Low | 98 Ų | 98 | 123.7 Ų | 123.7 | 81% | 0.81 | 69% | 0.692 | S | S | * | * | trans | -60.1 | 95.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | E165 D169 | E165-A167 PolarHBondContact O-N 3.42Å; E165-A167 VanDerWaalsContact O-N 3.09Å; A167-D169 PolarHBondContact O-N 2.84Å | ||
| 168 | A | 54.1 | Low | 55.8 | Low | 102 Ų | 102 | 123.9 Ų | 123.9 | 84% | 0.843 | 70% | 0.703 | S | S | * | * | trans | -74.5 | 75.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | A166 | A166-A168 VanDerWaalsContact C-N 3.28Å; A166-A168 PolarHBondContact O-N 3.48Å | ||
| 169 | D | 55.9 | Low | 55.2 | Low | 144 Ų | 144 | 132.2 Ų | 132.2 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | trans | -136.5 | 91 | 160.1 | -156.3 | 64 | 0 | 0 | 0 | 107.1 | A167 | A167-D169 PolarHBondContact O-N 2.84Š| ||
| 170 | E | 62 | Low | 55.1 | Low | 171 Ų | 171 | 133.4 Ų | 133.4 | 80% | 0.799 | 76% | 0.756 | S | S | * | * | trans | -62.4 | 125.1 | 171.4 | -76.7 | -82 | 136.1 | 0 | 0 | 108.5 | V172 | E170-V172 PolarHBondContact O-N 3Š| ||
| 171 | P | 56.8 | Low | 54.8 | Low | 91 Ų | 91 | 135.4 Ų | 135.4 | 59% | 0.591 | 77% | 0.766 | S | S | * | * | trans | -68.5 | 106.6 | 175.4 | 27.1 | -32.4 | 0 | 0 | 0 | 109.6 | F173 | P171-F173 HydrophobicContact CB-CE2 4.37Å; P171-F173 HydrophobicContact CG-CE2 4.2Å; P171-F173 WeakPolarHBondContact O-CD2 3.45Å; P171-F173 PolarHBondContact O-N 2.99Å | ||
| 172 | V | 57.3 | Low | 54.7 | Low | 124 Ų | 124 | 136.3 Ų | 136.3 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | trans | -66.1 | 101.3 | 170.5 | 174.9 | 0 | 0 | 0 | 0 | 108.7 | E170 T174 | E170-V172 PolarHBondContact O-N 3Å; V172-T174 PolarHBondContact O-N 3.05Å | ||
| 173 | F | 56.2 | Low | 54.7 | Low | 182 Ų | 182 | 136.1 Ų | 136.1 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | trans | -72.6 | 93.4 | 167 | -77.3 | -87.7 | 0 | 0 | 0 | 109.2 | P171 I175 | P171-F173 HydrophobicContact CB-CE2 4.37Å; P171-F173 HydrophobicContact CG-CE2 4.2Å; P171-F173 WeakPolarHBondContact O-CD2 3.45Å; P171-F173 PolarHBondContact O-N 2.99Å; F173-I175 PolarHBondContact O-N 3.12Å; F173-I175 VanDerWaalsContact O-N 3.12Å | ||
| 174 | T | 59.5 | Low | 54.7 | Low | 105 Ų | 105 | 139.6 Ų | 139.6 | 64% | 0.644 | 79% | 0.794 | S | S | * | * | trans | -72.2 | 103.7 | 170.9 | -40.9 | 0 | 0 | 0 | 0 | 109.1 | V172 N176 | V172-T174 PolarHBondContact O-N 3.05Å; T174-N176 PolarHBondContact O-N 3.28Å | ||
| 175 | I | 60.1 | Low | 54.6 | Low | 156 Ų | 156 | 139.7 Ų | 139.7 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | trans | -74.1 | 108.1 | 168.4 | -57.8 | -178.6 | 0 | 0 | 0 | 107.2 | F173 | F173-I175 PolarHBondContact O-N 3.12Å; F173-I175 VanDerWaalsContact O-N 3.12Å | ||
| 176 | N | 50.3 | Low | 54.9 | Low | 131 Ų | 131 | 137 Ų | 137 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 128.2 | 172.8 | -74.2 | -52.9 | 0 | 0 | 0 | 110 | T174 | T174-N176 PolarHBondContact O-N 3.28Š|
| 177 | P | 58.5 | Low | 55.5 | Low | 121 Ų | 121 | 140.6 Ų | 140.6 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 131.4 | 172 | 28.7 | -30.6 | 0 | 0 | 0 | 110.1 | ||
| 178 | I | 50 | Low | 56 | Low | 167 Ų | 167 | 144.2 Ų | 144.2 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 123.9 | 171.1 | -60.9 | 169.5 | 0 | 0 | 0 | 107.1 | ||
| 179 | L | 51 | Low | 56.2 | Low | 236 Ų | 236 | 148 Ų | 148 | 100% | 1.236 | 79% | 0.794 | S | S | * | * | trans | -67.1 | 0 | 170 | -84.2 | 166.2 | 0 | 0 | 0 | 111.4 |
Retrieved 179 of 179 residues in 73.5 ms
(Link to these results)