| 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 | 42.3 | Very low | 43.7 | Very low | 234 Ų | 234 | 147.8 Ų | 147.8 | 100% | 1.153 | 85% | 0.848 | S | S | * | * | 0 | 118 | 0 | -64.5 | 168.4 | -175.7 | 0 | 0 | 105.5 | |||||
| 2 | M | 37 | Very low | 43.1 | Very low | 183 Ų | 183 | 151.3 Ų | 151.3 | 90% | 0.901 | 86% | 0.855 | S | S | * | * | 61.1 | 126.7 | 72.3 | -69.7 | -74.6 | -170.3 | 0 | 0 | 112.2 | |||||
| 3 | A | 40.5 | Very low | 43.2 | Very low | 85 Ų | 85 | 148.6 Ų | 148.6 | 70% | 0.702 | 84% | 0.844 | S | S | * | * | cis | -164.1 | 145.7 | -19.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 4 | T | 43.6 | Very low | 43.3 | Very low | 144 Ų | 144 | 154 Ų | 154 | 88% | 0.883 | 84% | 0.844 | S | S | * | * | trans | -107.5 | 118.3 | 176.2 | -29.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 5 | L | 50.3 | Low | 43 | Very low | 162 Ų | 162 | 151.2 Ų | 151.2 | 85% | 0.848 | 84% | 0.836 | S | S | * | * | trans | -73.3 | 152 | 169.2 | -62.4 | 171.5 | 0 | 0 | 0 | 109.7 | ||||
| 6 | P | 47.3 | Very low | 43.1 | Very low | 132 Ų | 132 | 147.3 Ų | 147.3 | 86% | 0.857 | 83% | 0.829 | S | S | * | * | -147.8 | 176.1 | 91.7 | 39.5 | -23.8 | 0 | 0 | 0 | 115.1 | |||||
| 7 | G | 38.3 | Very low | 43.2 | Very low | 68 Ų | 68 | 146 Ų | 146 | 70% | 0.701 | 83% | 0.829 | S | S | * | * | trans | 112.3 | 43.4 | 148.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | V9 | G7-V9 PolarHBondContact O-N 3.29Š| ||
| 8 | T | 44.8 | Very low | 43.2 | Very low | 150 Ų | 150 | 141.9 Ų | 141.9 | 92% | 0.92 | 82% | 0.824 | S | S | * | * | trans | -69.3 | 119.9 | 167.8 | -52.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 9 | V | 47.2 | Very low | 42.9 | Very low | 126 Ų | 126 | 143.3 Ų | 143.3 | 76% | 0.764 | 82% | 0.822 | S | S | * | * | trans | -128.9 | 139.2 | 171.3 | -172.2 | 0 | 0 | 0 | 0 | 109.4 | G7 | G7-V9 PolarHBondContact O-N 3.29Š| ||
| 10 | P | 44.6 | Very low | 42.5 | Very low | 114 Ų | 114 | 143.2 Ų | 143.2 | 74% | 0.74 | 82% | 0.819 | S | S | * | * | trans | -74.9 | 144.3 | -158.1 | -21.5 | 35.5 | 0 | 0 | 0 | 116.9 | M12 | P10-M12 PolarHBondContact O-N 3.49Å; P10-M12 VanDerWaalsContact O-N 3.12Å | ||
| 11 | R | 44.9 | Very low | 42.2 | Very low | 228 Ų | 228 | 147 Ų | 147 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | trans | -62.2 | 101.1 | 168.6 | 179.4 | -173 | -171.7 | 174.7 | 3.3 | 111 | V13 | R11-V13 PolarHBondContact O-N 3.36Å; R11-V13 VanDerWaalsContact O-N 3.12Å | ||
| 12 | M | 36.7 | Very low | 42 | Very low | 189 Ų | 189 | 140.8 Ų | 140.8 | 93% | 0.931 | 80% | 0.798 | S | S | * | * | trans | -66.4 | 110.5 | 172.9 | -74.3 | -175.5 | 69.7 | 0 | 0 | 111.1 | P10 | P10-M12 PolarHBondContact O-N 3.49Å; P10-M12 VanDerWaalsContact O-N 3.12Å | ||
| 13 | V | 44.2 | Very low | 42.1 | Very low | 117 Ų | 117 | 142 Ų | 142 | 71% | 0.709 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 142.4 | 171.8 | 177.1 | 0 | 0 | 0 | 0 | 109.8 | R11 P15 | R11-V13 PolarHBondContact O-N 3.36Å; R11-V13 VanDerWaalsContact O-N 3.12Å; V13-P15 WeakPolarHBondContact O-CD 3.32Å |
| 14 | R | 44.1 | Very low | 42.2 | Very low | 224 Ų | 224 | 143.7 Ų | 143.7 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 127.4 | -178.2 | 178.9 | -167.7 | -166.2 | -179.9 | 6.8 | 113.5 | ||
| 15 | P | 39.6 | Very low | 41.9 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 142.2 | 152.5 | -0.7 | 20.8 | 0 | 0 | 0 | 110.4 | V13 | V13-P15 WeakPolarHBondContact O-CD 3.32Š|
| 16 | A | 44.3 | Very low | 41.2 | Very low | 88 Ų | 88 | 140.3 Ų | 140.3 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -111.1 | 138.2 | 150.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 17 | P | 45 | Very low | 41 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | -131.9 | 150.3 | 123.3 | 36.2 | -28.7 | 0 | 0 | 0 | 111.3 | |||||
| 18 | G | 43.5 | Very low | 41.1 | Very low | 72 Ų | 72 | 142.9 Ų | 142.9 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | trans | -86.6 | 146.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 19 | Q | 36.6 | Very low | 41 | Very low | 169 Ų | 169 | 142.6 Ų | 142.6 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | trans | -138.4 | 159.5 | 149 | -96.9 | -53.8 | -14.9 | 0 | 0 | 111.6 | ||||
| 20 | N | 35.1 | Very low | 40.8 | Very low | 141 Ų | 141 | 141.3 Ų | 141.3 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 131.1 | -170.9 | -70.2 | -92.4 | 0 | 0 | 0 | 112 | ||
| 21 | Y | 36.6 | Very low | 40.5 | Very low | 223 Ų | 223 | 140.8 Ų | 140.8 | 88% | 0.875 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 124 | 152.1 | -82.4 | -88.4 | 0 | 0 | 0 | 108.3 | R23 | Y21-R23 PolarHBondContact O-N 3.44Š|
| 22 | P | 37.3 | Very low | 40.8 | Very low | 103 Ų | 103 | 133.2 Ų | 133.2 | 67% | 0.669 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 117.4 | -178.7 | 26.6 | -33.5 | 0 | 0 | 0 | 109.8 | T24 | P22-T24 HydrophobicContact CB-CG2 4.45Å; P22-T24 PolarHBondContact O-N 3.12Å |
| 23 | R | 39.4 | Very low | 41.2 | Very low | 209 Ų | 209 | 129.7 Ų | 129.7 | 79% | 0.789 | 72% | 0.717 | S | S | * | * | trans | -76.5 | 68.8 | -178.1 | -167.6 | -162.2 | -176.6 | -79.5 | 3.4 | 111.3 | Y21 G25 | Y21-R23 PolarHBondContact O-N 3.44Å; R23-G25 PolarHBondContact NH1-O 3.43Å; R23-G25 PolarHBondContact O-N 3.4Å | ||
| 24 | T | 43.5 | Very low | 41.4 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 74% | 0.742 | 72% | 0.716 | S | S | * | * | trans | -70.6 | 31.2 | 176.7 | 54.8 | 0 | 0 | 0 | 0 | 114 | P22 F26 | P22-T24 HydrophobicContact CB-CG2 4.45Å; P22-T24 PolarHBondContact O-N 3.12Å; T24-F26 PolarHBondContact O-N 2.69Å | ||
| 25 | G | 35.9 | Very low | 41.9 | Very low | 39 Ų | 39 | 124 Ų | 124 | 40% | 0.402 | 72% | 0.719 | S | S | . | * | trans | -86.5 | 86.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | R23 P27 | R23-G25 PolarHBondContact NH1-O 3.43Å; R23-G25 PolarHBondContact O-N 3.4Å; G25-P27 WeakPolarHBondContact O-CD 3.29Å; G25-P27 VanDerWaalsContact O-N 3.15Å | ||
| 26 | F | 35.8 | Very low | 43.2 | Very low | 196 Ų | 196 | 124.6 Ų | 124.6 | 86% | 0.86 | 71% | 0.712 | S | S | * | * | trans | -47.2 | 118.9 | 167.2 | -77.3 | -88.2 | 0 | 0 | 0 | 108.9 | T24 L28 | T24-F26 PolarHBondContact O-N 2.69Å; F26-L28 PolarHBondContact O-N 2.99Å; F26-L28 VanDerWaalsContact O-N 3.17Å | ||
| 27 | P | 43.3 | Very low | 44.7 | Very low | 94 Ų | 94 | 122.1 Ų | 122.1 | 61% | 0.61 | 70% | 0.695 | S | S | * | * | trans | -67.3 | 115.1 | 162 | 4.8 | 10.2 | 0 | 0 | 0 | 105.7 | G25 E29 | G25-P27 WeakPolarHBondContact O-CD 3.29Å; G25-P27 VanDerWaalsContact O-N 3.15Å; P27-E29 HydrophobicContact CB-CG 4.39Å; P27-E29 PolarHBondContact O-N 3.49Å | ||
| 28 | L | 40.9 | Very low | 46.7 | Very low | 159 Ų | 159 | 123.6 Ų | 123.6 | 83% | 0.832 | 69% | 0.685 | S | S | * | * | trans | -71.9 | 80.7 | 164.2 | -163.4 | 81.1 | 0 | 0 | 0 | 106.7 | F26 V30 | F26-L28 PolarHBondContact O-N 2.99Å; F26-L28 VanDerWaalsContact O-N 3.17Å; L28-V30 PolarHBondContact O-N 3.48Å | ||
| 29 | E | 42 | Very low | 48.9 | Very low | 145 Ų | 145 | 125 Ų | 125 | 68% | 0.678 | 68% | 0.679 | S | S | * | * | trans | -60.8 | 87.9 | 171.6 | -83.4 | -60.4 | 123.7 | 0 | 0 | 108.3 | P27 S31 | P27-E29 HydrophobicContact CB-CG 4.39Å; P27-E29 PolarHBondContact O-N 3.49Å; E29-S31 PolarHBondContact O-N 2.92Å | ||
| 30 | V | 43 | Very low | 51.5 | Low | 98 Ų | 98 | 118.7 Ų | 118.7 | 59% | 0.594 | 65% | 0.65 | S | S | * | * | trans | -67.2 | 83 | 157 | 165.2 | 0 | 0 | 0 | 0 | 105.4 | L28 T32 | L28-V30 PolarHBondContact O-N 3.48Å; V30-T32 PolarHBondContact O-N 2.72Å; V30-T32 PolarHBondContact O-OG1 2.9Å | ||
| 31 | S | 38.2 | Very low | 54.2 | Low | 103 Ų | 103 | 121.9 Ų | 121.9 | 72% | 0.72 | 66% | 0.661 | S | S | * | * | trans | -52.8 | 88.7 | 176 | -63.7 | 0 | 0 | 0 | 0 | 109.2 | E29 P33 | E29-S31 PolarHBondContact O-N 2.92Å; S31-P33 VanDerWaalsContact O-CD 3.25Å; S31-P33 WeakPolarHBondContact O-CD 3.47Å | ||
| 32 | T | 52.8 | Low | 56.7 | Low | 70 Ų | 70 | 114.6 Ų | 114.6 | 43% | 0.429 | 64% | 0.636 | S | S | . | * | trans | -88.7 | 107.2 | -176.4 | -56.5 | 0 | 0 | 0 | 0 | 106 | V30 L34 I47 | V30-T32 PolarHBondContact O-N 2.72Å; V30-T32 PolarHBondContact O-OG1 2.9Å; T32-L34 PolarHBondContact O-N 2.95Å; T32-L34 VanDerWaalsContact O-N 3.13Å; T32-I47 HydrophobicContact CG2-CD1 4.04Å | ||
| 33 | P | 44.2 | Very low | 59.2 | Low | 114 Ų | 114 | 111.2 Ų | 111.2 | 74% | 0.74 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -62.1 | 121.9 | -174.1 | 24.1 | -33.3 | 0 | 0 | 0 | 109.9 | S31 | S31-P33 VanDerWaalsContact O-CD 3.25Å; S31-P33 WeakPolarHBondContact O-CD 3.47Å |
| 34 | L | 48.7 | Very low | 61.7 | Low | 134 Ų | 134 | 101.7 Ų | 101.7 | 70% | 0.702 | 59% | 0.588 | S | S | * | * | S | Bend | trans | 65.8 | 129.3 | -170.1 | -70.7 | 65.5 | 0 | 0 | 0 | 114.3 | T32 Q36 | T32-L34 PolarHBondContact O-N 2.95Å; T32-L34 VanDerWaalsContact O-N 3.13Å; L34-Q36 PolarHBondContact O-N 3.17Å |
| 35 | G | 53.7 | Low | 64 | Low | 88 Ų | 88 | 101.1 Ų | 101.1 | 91% | 0.907 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -70.2 | 54.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116 | G37 | G35-G37 VanDerWaalsContact C-N 3.34Š|
| 36 | Q | 67.5 | Low | 66.7 | Low | 124 Ų | 124 | 102.6 Ų | 102.6 | 58% | 0.579 | 58% | 0.579 | S | S | * | * | trans | -87.3 | -1.6 | 174.8 | -63.6 | -170.8 | -13.7 | 0 | 0 | 113.6 | L34 R38 | L34-Q36 PolarHBondContact O-N 3.17Å; Q36-R38 PolarHBondContact O-N 2.87Å | ||
| 37 | G | 75.9 | Confident | 69.2 | Low | 36 Ų | 36 | 95.6 Ų | 95.6 | 37% | 0.371 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 115.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | G35 | G35-G37 VanDerWaalsContact C-N 3.34Å |
| 38 | R | 86.1 | Confident | 71.3 | Confident | 158 Ų | 158 | 95.6 Ų | 95.6 | 60% | 0.596 | 55% | 0.545 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97 | 150.1 | 172.4 | -63 | -169.7 | -176.2 | -159.4 | -2.6 | 109.9 | Q36 V45 F46 N48 | Q36-R38 PolarHBondContact O-N 2.87Å; R38-V45 CarbonylContact O-C 3.56Å; R38-V45 WeakPolarHBondContact O-CA 3.31Å; R38-F46 HydrophobicContact CB-CD1 4.35Å; R38-F46 HydrophobicContact CB-CE1 3.78Å; R38-F46 HydrophobicContact CB-CE2 4.48Å; R38-F46 HydrophobicContact CB-CZ 3.86Å; R38-F46 PolarHBondContact N-O 2.91Å; R38-F46 WeakPolarHBondContact O-CD1 3.29Å; R38-F46 PolarHBondContact O-N 3.46Å; R38-N48 PolarHBondContact NE-ND2 2.76Å |
| 39 | V | 91.3 | Very high | 73.4 | Confident | 101 Ų | 101 | 91.3 Ų | 91.3 | 61% | 0.612 | 54% | 0.539 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 138.3 | 173.2 | -173.2 | 0 | 0 | 0 | 0 | 109.2 | G44 | V39-G44 WeakPolarHBondContact CA-O 3.23Å |
| 40 | N | 91.1 | Very high | 75.6 | Confident | 37 Ų | 37 | 92.8 Ų | 92.8 | 20% | 0.198 | 54% | 0.538 | C | S | . | . | P | Polyproline II helix | trans | -92.6 | 173.2 | 175.4 | 70.3 | 37 | 0 | 0 | 0 | 111.9 | L42 G43 G44 F46 R78 | N40-L42 PolarHBondContact O-N 3.09Å; N40-L42 WeakPolarHBondContact OD1-CA 3.33Å; N40-L42 WeakPolarHBondContact OD1-CB 3.41Å; N40-L42 PolarHBondContact OD1-N 2.98Å; N40-G43 PolarHBondContact O-N 3.5Å; N40-G43 PolarHBondContact OD1-N 3.37Å; N40-G44 VanDerWaalsContact CG-O 3.22Å; N40-G44 PolarHBondContact N-O 2.62Å; N40-G44 PolarHBondContact ND2-O 2.7Å; N40-G44 PolarHBondContact OD1-N 2.6Å; N40-G44 VanDerWaalsContact OD1-N 3.1Å; N40-F46 HydrophobicContact CB-CD1 3.93Å; N40-F46 HydrophobicContact CB-CE1 3.8Å; N40-R78 PolarHBondContact ND2-O 2.97Å; N40-R78 PolarHBondContact OD1-O 3.44Å |
| 41 | Q | 91.3 | Very high | 78 | Confident | 207 Ų | 207 | 91 Ų | 91 | 97% | 0.967 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -13.3 | 179.9 | -70.4 | 173 | -31.4 | 0 | 0 | 115.1 | ||
| 42 | L | 89.5 | Confident | 80.6 | Confident | 70 Ų | 70 | 87.6 Ų | 87.6 | 37% | 0.366 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 5.6 | 176 | -57 | 172.4 | 0 | 0 | 0 | 112.3 | N40 R78 V79 | N40-L42 PolarHBondContact O-N 3.09Å; N40-L42 WeakPolarHBondContact OD1-CA 3.33Å; N40-L42 WeakPolarHBondContact OD1-CB 3.41Å; N40-L42 PolarHBondContact OD1-N 2.98Å; L42-R78 HydrophobicContact CB-CB 4.17Å; L42-R78 WeakPolarHBondContact O-CB 3.31Å; L42-R78 VanDerWaalsContact O-CD 3.27Å; L42-R78 WeakPolarHBondContact O-CD 3.18Å; L42-R78 VanDerWaalsContact O-CG 3.29Å; L42-R78 WeakPolarHBondContact O-CG 3.42Å; L42-V79 WeakPolarHBondContact CD1-O 3.47Å |
| 43 | G | 89 | Confident | 82.5 | Confident | 32 Ų | 32 | 87.3 Ų | 87.3 | 33% | 0.33 | 50% | 0.502 | S | S | . | . | S | Bend | trans | 74.5 | 22.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | N40 R78 | N40-G43 PolarHBondContact O-N 3.5Å; N40-G43 PolarHBondContact OD1-N 3.37Å; G43-R78 WeakPolarHBondContact O-CD 3.3Å; G43-R78 PolarHBondContact O-NH1 3.38Å |
| 44 | G | 91.1 | Very high | 84.9 | Confident | 10 Ų | 10 | 85.6 Ų | 85.6 | 10% | 0.103 | 49% | 0.487 | C | S | . | . | trans | -103.2 | 138.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V39 N40 | V39-G44 WeakPolarHBondContact CA-O 3.23Å; N40-G44 VanDerWaalsContact CG-O 3.22Å; N40-G44 PolarHBondContact N-O 2.62Å; N40-G44 PolarHBondContact ND2-O 2.7Å; N40-G44 PolarHBondContact OD1-N 2.6Å; N40-G44 VanDerWaalsContact OD1-N 3.1Å | ||
| 45 | V | 92.3 | Very high | 87.1 | Confident | 108 Ų | 108 | 85.1 Ų | 85.1 | 66% | 0.655 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 137.7 | -178.9 | -174.9 | 0 | 0 | 0 | 0 | 111 | R38 | R38-V45 CarbonylContact O-C 3.56Å; R38-V45 WeakPolarHBondContact O-CA 3.31Å |
| 46 | F | 92.1 | Very high | 89.1 | Confident | 71 Ų | 71 | 82.8 Ų | 82.8 | 31% | 0.311 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 154.4 | 174.8 | 73.8 | -77.1 | 0 | 0 | 0 | 111.7 | R38 N40 | R38-F46 HydrophobicContact CB-CD1 4.35Å; R38-F46 HydrophobicContact CB-CE1 3.78Å; R38-F46 HydrophobicContact CB-CE2 4.48Å; R38-F46 HydrophobicContact CB-CZ 3.86Å; R38-F46 PolarHBondContact N-O 2.91Å; R38-F46 WeakPolarHBondContact O-CD1 3.29Å; R38-F46 PolarHBondContact O-N 3.46Å; N40-F46 HydrophobicContact CB-CD1 3.93Å; N40-F46 HydrophobicContact CB-CE1 3.8Å |
| 47 | I | 90 | Very high | 90.5 | Very high | 48 Ų | 48 | 77.9 Ų | 77.9 | 25% | 0.246 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 128.8 | 174.7 | -55.9 | 170.5 | 0 | 0 | 0 | 108.4 | T32 R50 | T32-I47 HydrophobicContact CG2-CD1 4.04Å; I47-R50 HydrophobicContact CB-CB 4.17Å; I47-R50 HydrophobicContact CB-CG 4.4Å; I47-R50 HydrophobicContact CG2-CB 4.22Å; I47-R50 HydrophobicContact CG2-CG 3.92Å; I47-R50 PolarHBondContact O-N 3.13Å |
| 48 | N | 86.1 | Confident | 91.4 | Very high | 95 Ų | 95 | 81 Ų | 81 | 51% | 0.508 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 138.1 | 178.4 | -97.7 | -42.5 | 0 | 0 | 0 | 111.4 | R38 R50 | R38-N48 PolarHBondContact NE-ND2 2.76Å; N48-R50 PolarHBondContact O-N 3.49Å |
| 49 | G | 85 | Confident | 91.9 | Very high | 69 Ų | 69 | 77.4 Ų | 77.4 | 71% | 0.711 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | -20.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 50 | R | 89.1 | Confident | 92.2 | Very high | 175 Ų | 175 | 72.6 Ų | 72.6 | 66% | 0.66 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -86.9 | 153 | 175.4 | -64.1 | -165.3 | -177.3 | -158.5 | -0.2 | 111.6 | I47 N48 | I47-R50 HydrophobicContact CB-CB 4.17Å; I47-R50 HydrophobicContact CB-CG 4.4Å; I47-R50 HydrophobicContact CG2-CB 4.22Å; I47-R50 HydrophobicContact CG2-CG 3.92Å; I47-R50 PolarHBondContact O-N 3.13Å; N48-R50 PolarHBondContact O-N 3.49Å |
| 51 | P | 92.6 | Very high | 92.5 | Very high | 60 Ų | 60 | 71.3 Ų | 71.3 | 39% | 0.39 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 153.6 | 171.9 | 30.8 | -33.4 | 0 | 0 | 0 | 110.8 | P99 I102 | P51-P99 HydrophobicContact CB-CB 3.69Å; P51-P99 HydrophobicContact CB-CG 4.1Å; P51-P99 HydrophobicContact CG-CB 4.15Å; P51-P99 HydrophobicContact CG-CG 4.13Å; P51-I102 HydrophobicContact CB-CD1 4.07Å; P51-I102 HydrophobicContact CG-CD1 4.07Å |
| 52 | L | 93 | Very high | 92.7 | Very high | 32 Ų | 32 | 65.4 Ų | 65.4 | 17% | 0.168 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 142.5 | 172.5 | -167.9 | 70.8 | 0 | 0 | 0 | 110.8 | I56 R57 I60 V79 I87 | L52-I56 HydrophobicContact CD1-CG2 4.49Å; L52-I56 HydrophobicContact CD2-CB 4.05Å; L52-I56 HydrophobicContact CD2-CG2 3.62Å; L52-I56 HydrophobicContact CG-CB 4.09Å; L52-I56 HydrophobicContact CG-CG2 4.1Å; L52-R57 HydrophobicContact CB-CG 4.22Å; L52-R57 HydrophobicContact CD2-CG 4.36Å; L52-R57 WeakPolarHBondContact O-CD 3.12Å; L52-I60 HydrophobicContact CD2-CD1 3.81Å; L52-V79 HydrophobicContact CD1-CG2 4.33Å; L52-V79 HydrophobicContact CD2-CG1 4Å; L52-V79 HydrophobicContact CD2-CG2 4.01Å; L52-I87 HydrophobicContact CD2-CD1 3.83Å |
| 53 | P | 93.9 | Very high | 93.1 | Very high | 64 Ų | 64 | 62.3 Ų | 62.3 | 42% | 0.416 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 145.5 | -179.2 | -28 | 35.9 | 0 | 0 | 0 | 113.8 | H55 I56 R57 | P53-H55 PolarHBondContact O-N 3.3Å; P53-I56 HydrophobicContact CB-CG1 4.35Å; P53-I56 PolarHBondContact O-N 3.4Å; P53-I56 VanDerWaalsContact O-N 3.14Å; P53-R57 WeakPolarHBondContact O-CG 3.44Å; P53-R57 PolarHBondContact O-N 3.06Å |
| 54 | N | 93.6 | Very high | 93.5 | Very high | 79 Ų | 79 | 62.4 Ų | 62.4 | 42% | 0.422 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.1 | -41.3 | -169.7 | -160.9 | 14 | 0 | 0 | 0 | 112.8 | I56 R57 H58 | N54-I56 VanDerWaalsContact C-N 3.3Å; N54-I56 PolarHBondContact O-N 2.98Å; N54-R57 WeakPolarHBondContact O-CA 3.21Å; N54-R57 WeakPolarHBondContact O-CB 3.35Å; N54-R57 PolarHBondContact O-N 2.98Å; N54-H58 PolarHBondContact O-CD2 3.06Å; N54-H58 PolarHBondContact O-N 3.27Å |
| 55 | H | 94.8 | Very high | 93.7 | Very high | 123 Ų | 123 | 68.3 Ų | 68.3 | 57% | 0.569 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -58.6 | -37.5 | 176.9 | 58 | -102.2 | 0 | 0 | 0 | 112.9 | P53 K59 | P53-H55 PolarHBondContact O-N 3.3Å; H55-K59 WeakPolarHBondContact O-CB 3.41Å; H55-K59 PolarHBondContact O-N 2.76Å |
| 56 | I | 95.4 | Very high | 93.9 | Very high | 40 Ų | 40 | 69.7 Ų | 69.7 | 21% | 0.205 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -69.3 | -35.3 | 174.2 | -50.5 | -64.2 | 0 | 0 | 0 | 110.9 | L52 P53 N54 K59 I60 L77 V79 | L52-I56 HydrophobicContact CD1-CG2 4.49Å; L52-I56 HydrophobicContact CD2-CB 4.05Å; L52-I56 HydrophobicContact CD2-CG2 3.62Å; L52-I56 HydrophobicContact CG-CB 4.09Å; L52-I56 HydrophobicContact CG-CG2 4.1Å; P53-I56 HydrophobicContact CB-CG1 4.35Å; P53-I56 PolarHBondContact O-N 3.4Å; P53-I56 VanDerWaalsContact O-N 3.14Å; N54-I56 VanDerWaalsContact C-N 3.3Å; N54-I56 PolarHBondContact O-N 2.98Å; I56-K59 PolarHBondContact O-N 2.69Å; I56-I60 HydrophobicContact CG2-CD1 4.18Å; I56-I60 VanDerWaalsContact O-CG1 3.3Å; I56-I60 WeakPolarHBondContact O-CG1 3.5Å; I56-I60 PolarHBondContact O-N 3.37Å; I56-L77 HydrophobicContact CG2-CD1 4.36Å; I56-V79 HydrophobicContact CG2-CG2 3.66Å |
| 57 | R | 96.4 | Very high | 94 | Very high | 21 Ų | 21 | 69.3 Ų | 69.3 | 8% | 0.079 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.7 | -40.3 | 177.5 | -61.8 | 171.8 | 66.3 | 97.1 | 7 | 111.8 | L52 P53 N54 V61 I87 I97 R98 | L52-R57 HydrophobicContact CB-CG 4.22Å; L52-R57 HydrophobicContact CD2-CG 4.36Å; L52-R57 WeakPolarHBondContact O-CD 3.12Å; P53-R57 WeakPolarHBondContact O-CG 3.44Å; P53-R57 PolarHBondContact O-N 3.06Å; N54-R57 WeakPolarHBondContact O-CA 3.21Å; N54-R57 WeakPolarHBondContact O-CB 3.35Å; N54-R57 PolarHBondContact O-N 2.98Å; R57-V61 PolarHBondContact O-N 3.03Å; R57-I87 HydrophobicContact CG-CD1 4.11Å; R57-I97 PolarHBondContact NE-O 3.39Å; R57-I97 PolarHBondContact NH2-O 2.96Å; R57-R98 PolarHBondContact NH2-O 3.07Å |
| 58 | H | 96.1 | Very high | 94.3 | Very high | 101 Ų | 101 | 69.6 Ų | 69.6 | 47% | 0.468 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -56.9 | -55 | 166.5 | -82.7 | -93.2 | 0 | 0 | 0 | 110.4 | N54 I60 V61 E62 I97 | N54-H58 PolarHBondContact O-CD2 3.06Å; N54-H58 PolarHBondContact O-N 3.27Å; H58-I60 VanDerWaalsContact C-N 3.27Å; H58-I60 PolarHBondContact O-N 3.02Å; H58-V61 PolarHBondContact O-N 3.29Å; H58-E62 WeakPolarHBondContact O-CB 3.5Å; H58-E62 PolarHBondContact O-N 2.94Å; H58-I97 WeakPolarHBondContact CE1-CD1 3.48Å; H58-I97 WeakPolarHBondContact NE2-CD1 3.41Å |
| 59 | K | 97 | Very high | 94.8 | Very high | 83 Ų | 83 | 73.9 Ų | 73.9 | 36% | 0.361 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.8 | -33.5 | -174.6 | -160.1 | 55.1 | 157.7 | -176.9 | 0 | 113.5 | H55 I56 E62 M63 L77 | H55-K59 WeakPolarHBondContact O-CB 3.41Å; H55-K59 PolarHBondContact O-N 2.76Å; I56-K59 PolarHBondContact O-N 2.69Å; K59-E62 HydrophobicContact CD-CB 4.49Å; K59-E62 WeakPolarHBondContact CD-OE2 3.5Å; K59-E62 WeakPolarHBondContact CE-OE2 3.26Å; K59-E62 IonicContact NZ-OE1 3.92Å; K59-E62 PolarHBondContact NZ-OE1 3.04Å; K59-E62 IonicContact NZ-OE2 2.67Å; K59-E62 PolarHBondContact NZ-OE2 3.41Å; K59-M63 HydrophobicContact CD-CG 4.36Å; K59-M63 HydrophobicContact CG-CG 4.34Å; K59-M63 HydrophobicContact CG-SD 4.15Å; K59-M63 VanDerWaalsContact O-CB 3.31Å; K59-M63 WeakPolarHBondContact O-CB 3.48Å; K59-M63 WeakPolarHBondContact O-CG 3.44Å; K59-M63 PolarHBondContact O-N 3.29Å; K59-L77 HydrophobicContact CB-CD1 4.08Å; K59-L77 HydrophobicContact CB-CD2 4.37Å; K59-L77 HydrophobicContact CG-CD1 4.12Å; K59-L77 HydrophobicContact CG-CD2 3.77Å |
| 60 | I | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.4 | -45.3 | 171.9 | -75.7 | 165.9 | 0 | 0 | 0 | 111.9 | L52 I56 H58 A64 I73 L77 V79 V84 I87 L88 | L52-I60 HydrophobicContact CD2-CD1 3.81Å; I56-I60 HydrophobicContact CG2-CD1 4.18Å; I56-I60 VanDerWaalsContact O-CG1 3.3Å; I56-I60 WeakPolarHBondContact O-CG1 3.5Å; I56-I60 PolarHBondContact O-N 3.37Å; H58-I60 VanDerWaalsContact C-N 3.27Å; H58-I60 PolarHBondContact O-N 3.02Å; I60-A64 PolarHBondContact O-N 3.42Å; I60-I73 HydrophobicContact CB-CG2 4.34Å; I60-I73 HydrophobicContact CG1-CG2 3.94Å; I60-I73 HydrophobicContact CG2-CG2 4.47Å; I60-L77 HydrophobicContact CB-CD1 4.48Å; I60-L77 HydrophobicContact CG1-CD1 3.57Å; I60-V79 HydrophobicContact CD1-CG1 4.21Å; I60-V79 HydrophobicContact CD1-CG2 4.44Å; I60-V84 HydrophobicContact CD1-CG2 4.26Å; I60-V84 HydrophobicContact CG1-CG2 4.47Å; I60-V84 HydrophobicContact CG2-CG1 4.05Å; I60-I87 HydrophobicContact CB-CG2 4.39Å; I60-I87 HydrophobicContact CD1-CD1 3.59Å; I60-I87 HydrophobicContact CG2-CB 4.19Å; I60-I87 HydrophobicContact CG2-CG2 3.82Å; I60-L88 HydrophobicContact CG2-CD2 3.75Å; I60-L88 HydrophobicContact CG2-CG 3.89Å |
| 61 | V | 96.5 | Very high | 95.5 | Very high | 10 Ų | 10 | 66.6 Ų | 66.6 | 6% | 0.061 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -74.5 | -44.5 | -179.7 | 171.2 | 0 | 0 | 0 | 0 | 111 | R57 H58 M63 A64 H65 I87 L88 Y91 I97 | R57-V61 PolarHBondContact O-N 3.03Å; H58-V61 PolarHBondContact O-N 3.29Å; V61-M63 PolarHBondContact O-N 3.11Å; V61-A64 PolarHBondContact O-N 3.14Å; V61-A64 VanDerWaalsContact O-N 3.07Å; V61-H65 PolarHBondContact O-CD2 2.92Å; V61-H65 PolarHBondContact O-N 3.3Å; V61-I87 HydrophobicContact CG2-CG2 4.3Å; V61-L88 HydrophobicContact CG2-CD2 4.19Å; V61-Y91 HydrophobicContact CG1-CD1 3.71Å; V61-Y91 HydrophobicContact CG1-CD2 4.06Å; V61-Y91 HydrophobicContact CG1-CE1 3.46Å; V61-Y91 VanDerWaalsContact CG1-CE1 3.46Å; V61-Y91 HydrophobicContact CG1-CE2 3.84Å; V61-Y91 HydrophobicContact CG1-CG 4.01Å; V61-Y91 HydrophobicContact CG2-CD1 4.17Å; V61-Y91 HydrophobicContact CG2-CD2 4.03Å; V61-Y91 HydrophobicContact CG2-CG 3.81Å; V61-I97 HydrophobicContact CG2-CG2 4.02Å |
| 62 | E | 96.9 | Very high | 95.7 | Very high | 82 Ų | 82 | 66.2 Ų | 66.2 | 38% | 0.383 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -54.4 | -50 | 176.5 | -169.8 | -145.1 | 114.6 | 0 | 0 | 111.2 | H58 K59 A64 H65 H66 | H58-E62 WeakPolarHBondContact O-CB 3.5Å; H58-E62 PolarHBondContact O-N 2.94Å; K59-E62 HydrophobicContact CD-CB 4.49Å; K59-E62 WeakPolarHBondContact CD-OE2 3.5Å; K59-E62 WeakPolarHBondContact CE-OE2 3.26Å; K59-E62 IonicContact NZ-OE1 3.92Å; K59-E62 PolarHBondContact NZ-OE1 3.04Å; K59-E62 IonicContact NZ-OE2 2.67Å; K59-E62 PolarHBondContact NZ-OE2 3.41Å; E62-A64 VanDerWaalsContact C-N 3.31Å; E62-A64 PolarHBondContact O-N 2.85Å; E62-H65 PolarHBondContact O-N 2.84Å; E62-H66 PolarHBondContact O-N 3.48Å; E62-H66 VanDerWaalsContact O-N 3.15Å; E62-H66 PolarHBondContact O-ND1 2.76Å |
| 63 | M | 97.2 | Very high | 95.9 | Very high | 6 Ų | 6 | 64.7 Ų | 64.7 | 3% | 0.03 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.9 | -35.4 | 177 | -71.5 | 177.7 | 73.5 | 0 | 0 | 112.8 | K59 V61 H66 I68 I73 Q76 L77 | K59-M63 HydrophobicContact CD-CG 4.36Å; K59-M63 HydrophobicContact CG-CG 4.34Å; K59-M63 HydrophobicContact CG-SD 4.15Å; K59-M63 VanDerWaalsContact O-CB 3.31Å; K59-M63 WeakPolarHBondContact O-CB 3.48Å; K59-M63 WeakPolarHBondContact O-CG 3.44Å; K59-M63 PolarHBondContact O-N 3.29Å; V61-M63 PolarHBondContact O-N 3.11Å; M63-H66 CarbonylContact O-C 3.52Å; M63-H66 PolarHBondContact O-N 3.21Å; M63-I68 HydrophobicContact CB-CB 4.3Å; M63-I68 HydrophobicContact CB-CD1 4.02Å; M63-I68 HydrophobicContact CE-CD1 3.85Å; M63-I68 HydrophobicContact CE-CG2 4.08Å; M63-I68 HydrophobicContact CG-CD1 4.14Å; M63-I68 WeakPolarHBondContact O-CB 3.45Å; M63-I68 WeakPolarHBondContact O-CG1 3.25Å; M63-I68 PolarHBondContact O-N 3.38Å; M63-I73 HydrophobicContact CB-CD1 3.83Å; M63-I73 HydrophobicContact CB-CG1 3.85Å; M63-I73 HydrophobicContact CE-CB 4.43Å; M63-I73 HydrophobicContact CE-CG1 4.09Å; M63-I73 HydrophobicContact SD-CG1 4.49Å; M63-I73 HydrophobicContact SD-CG2 4.22Å; M63-Q76 HydrophobicContact CE-CB 4.15Å; M63-Q76 HydrophobicContact CE-CG 4.16Å; M63-L77 HydrophobicContact SD-CD1 3.83Å; M63-L77 HydrophobicContact SD-CD2 3.97Å; M63-L77 HydrophobicContact SD-CG 3.85Å |
| 64 | A | 96.5 | Very high | 96.1 | Very high | 34 Ų | 34 | 62 Ų | 62 | 28% | 0.281 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70.7 | -33.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I60 V61 E62 H66 G67 I73 L88 | I60-A64 PolarHBondContact O-N 3.42Å; V61-A64 PolarHBondContact O-N 3.14Å; V61-A64 VanDerWaalsContact O-N 3.07Å; E62-A64 VanDerWaalsContact C-N 3.31Å; E62-A64 PolarHBondContact O-N 2.85Å; A64-H66 VanDerWaalsContact C-N 3.31Å; A64-G67 PolarHBondContact O-N 3.32Å; A64-G67 VanDerWaalsContact O-N 3.07Å; A64-I73 HydrophobicContact CB-CD1 3.93Å; A64-L88 HydrophobicContact CB-CD1 4.09Å; A64-L88 HydrophobicContact CB-CD2 3.49Å; A64-L88 VanDerWaalsContact CB-CD2 3.49Å; A64-L88 HydrophobicContact CB-CG 4.46Å |
| 65 | H | 95.6 | Very high | 96.2 | Very high | 134 Ų | 134 | 65.5 Ų | 65.5 | 62% | 0.62 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.1 | -35.3 | 170.4 | -89.3 | -109.5 | 0 | 0 | 0 | 112.1 | V61 E62 G67 Y91 | V61-H65 PolarHBondContact O-CD2 2.92Å; V61-H65 PolarHBondContact O-N 3.3Å; E62-H65 PolarHBondContact O-N 2.84Å; H65-G67 PolarHBondContact O-N 2.76Å; H65-G67 VanDerWaalsContact O-N 3.08Å; H65-Y91 AromaticContact NE2-CE1 3.48Å; H65-Y91 WeakPolarHBondContact NE2-CE1 3.48Å |
| 66 | H | 96.8 | Very high | 96.3 | Very high | 137 Ų | 137 | 65.7 Ų | 65.7 | 63% | 0.634 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | 18.5 | 170.3 | -65.6 | 83.8 | 0 | 0 | 0 | 113.5 | E62 M63 A64 I68 | E62-H66 PolarHBondContact O-N 3.48Å; E62-H66 VanDerWaalsContact O-N 3.15Å; E62-H66 PolarHBondContact O-ND1 2.76Å; M63-H66 CarbonylContact O-C 3.52Å; M63-H66 PolarHBondContact O-N 3.21Å; A64-H66 VanDerWaalsContact C-N 3.31Å; H66-I68 HydrophobicContact CB-CD1 4.44Å; H66-I68 HydrophobicContact CB-CG1 4.31Å; H66-I68 PolarHBondContact O-N 2.86Å; H66-I68 VanDerWaalsContact O-N 3.15Å |
| 67 | G | 94.7 | Very high | 96.3 | Very high | 62 Ų | 62 | 65.5 Ų | 65.5 | 64% | 0.639 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | A64 H65 R69 | A64-G67 PolarHBondContact O-N 3.32Å; A64-G67 VanDerWaalsContact O-N 3.07Å; H65-G67 PolarHBondContact O-N 2.76Å; H65-G67 VanDerWaalsContact O-N 3.08Å; G67-R69 PolarHBondContact O-N 3.42Å |
| 68 | I | 96.7 | Very high | 96.3 | Very high | 55 Ų | 55 | 71.1 Ų | 71.1 | 28% | 0.282 | 35% | 0.348 | S | S | . | . | trans | -70.9 | 122.9 | -173.7 | -54.7 | 177.5 | 0 | 0 | 0 | 109.9 | M63 H66 V72 I73 | M63-I68 HydrophobicContact CB-CB 4.3Å; M63-I68 HydrophobicContact CB-CD1 4.02Å; M63-I68 HydrophobicContact CE-CD1 3.85Å; M63-I68 HydrophobicContact CE-CG2 4.08Å; M63-I68 HydrophobicContact CG-CD1 4.14Å; M63-I68 WeakPolarHBondContact O-CB 3.45Å; M63-I68 WeakPolarHBondContact O-CG1 3.25Å; M63-I68 PolarHBondContact O-N 3.38Å; H66-I68 HydrophobicContact CB-CD1 4.44Å; H66-I68 HydrophobicContact CB-CG1 4.31Å; H66-I68 PolarHBondContact O-N 2.86Å; H66-I68 VanDerWaalsContact O-N 3.15Å; I68-V72 HydrophobicContact CG2-CB 3.73Å; I68-V72 HydrophobicContact CG2-CG1 3.66Å; I68-I73 HydrophobicContact CB-CG1 4.19Å; I68-I73 HydrophobicContact CG2-CG1 3.9Å; I68-I73 VanDerWaalsContact O-CD1 3.3Å; I68-I73 WeakPolarHBondContact O-CD1 3.47Å | ||
| 69 | R | 95.3 | Very high | 96.3 | Very high | 184 Ų | 184 | 66.8 Ų | 66.8 | 69% | 0.694 | 33% | 0.328 | S | S | * | . | trans | -58.5 | 137.9 | -176.3 | -63.1 | 175.3 | 70.5 | -170.1 | 4.2 | 111.3 | G67 C71 V72 I73 | G67-R69 PolarHBondContact O-N 3.42Å; R69-C71 PolarHBondContact O-N 3.41Å; R69-V72 HydrophobicContact CB-CG2 4.38Å; R69-V72 WeakPolarHBondContact O-CA 3.42Å; R69-V72 WeakPolarHBondContact O-CB 3.28Å; R69-V72 PolarHBondContact O-N 2.78Å; R69-I73 PolarHBondContact O-N 3.01Å | ||
| 70 | P | 94.6 | Very high | 96.3 | Very high | 52 Ų | 52 | 65.8 Ų | 65.8 | 34% | 0.338 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -54.5 | -27.7 | -176.3 | -30.7 | 36.2 | 0 | 0 | 0 | 116.1 | S74 V84 L88 | P70-S74 VanDerWaalsContact O-CB 3.29Å; P70-S74 WeakPolarHBondContact O-CB 3.46Å; P70-S74 PolarHBondContact O-N 3.42Å; P70-V84 HydrophobicContact CB-CG1 4.14Å; P70-L88 HydrophobicContact CB-CD1 4.27Å; P70-L88 HydrophobicContact CG-CD1 3.92Å |
| 71 | C | 95.8 | Very high | 96.3 | Very high | 40 Ų | 40 | 70.7 Ų | 70.7 | 27% | 0.27 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -72.3 | -26.9 | 174.7 | 62.8 | 0 | 0 | 0 | 0 | 113.7 | R69 R75 | R69-C71 PolarHBondContact O-N 3.41Å; C71-R75 VanDerWaalsContact O-CZ 3.29Å; C71-R75 PolarHBondContact O-N 2.75Å |
| 72 | V | 96.8 | Very high | 96.2 | Very high | 51 Ų | 51 | 72.3 Ų | 72.3 | 31% | 0.309 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -76.9 | -47.4 | 172.5 | 179.6 | 0 | 0 | 0 | 0 | 109.6 | I68 R69 S74 R75 Q76 | I68-V72 HydrophobicContact CG2-CB 3.73Å; I68-V72 HydrophobicContact CG2-CG1 3.66Å; R69-V72 HydrophobicContact CB-CG2 4.38Å; R69-V72 WeakPolarHBondContact O-CA 3.42Å; R69-V72 WeakPolarHBondContact O-CB 3.28Å; R69-V72 PolarHBondContact O-N 2.78Å; V72-S74 PolarHBondContact O-N 3.02Å; V72-R75 PolarHBondContact O-N 3.45Å; V72-Q76 WeakPolarHBondContact O-CB 3.34Å; V72-Q76 PolarHBondContact O-N 3.1Å |
| 73 | I | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -52 | -45.8 | 173.6 | -56.4 | -179.3 | 0 | 0 | 0 | 110.6 | I60 M63 A64 I68 R69 R75 Q76 L77 V84 | I60-I73 HydrophobicContact CB-CG2 4.34Å; I60-I73 HydrophobicContact CG1-CG2 3.94Å; I60-I73 HydrophobicContact CG2-CG2 4.47Å; M63-I73 HydrophobicContact CB-CD1 3.83Å; M63-I73 HydrophobicContact CB-CG1 3.85Å; M63-I73 HydrophobicContact CE-CB 4.43Å; M63-I73 HydrophobicContact CE-CG1 4.09Å; M63-I73 HydrophobicContact SD-CG1 4.49Å; M63-I73 HydrophobicContact SD-CG2 4.22Å; A64-I73 HydrophobicContact CB-CD1 3.93Å; I68-I73 HydrophobicContact CB-CG1 4.19Å; I68-I73 HydrophobicContact CG2-CG1 3.9Å; I68-I73 VanDerWaalsContact O-CD1 3.3Å; I68-I73 WeakPolarHBondContact O-CD1 3.47Å; R69-I73 PolarHBondContact O-N 3.01Å; I73-R75 PolarHBondContact O-N 3.5Å; I73-Q76 PolarHBondContact O-N 2.74Å; I73-L77 HydrophobicContact CG2-CD1 3.76Å; I73-L77 HydrophobicContact CG2-CG 4.37Å; I73-L77 WeakPolarHBondContact O-CB 3.3Å; I73-L77 PolarHBondContact O-N 3.38Å; I73-V84 HydrophobicContact CB-CG1 4.15Å; I73-V84 HydrophobicContact CG2-CG1 3.95Å; I73-V84 HydrophobicContact CG2-CG2 4.36Å |
| 74 | S | 97.3 | Very high | 96.1 | Very high | 8 Ų | 8 | 69.7 Ų | 69.7 | 6% | 0.056 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.7 | -44.6 | 177.7 | -179.2 | 0 | 0 | 0 | 0 | 113.1 | P70 V72 R78 V79 H81 | P70-S74 VanDerWaalsContact O-CB 3.29Å; P70-S74 WeakPolarHBondContact O-CB 3.46Å; P70-S74 PolarHBondContact O-N 3.42Å; V72-S74 PolarHBondContact O-N 3.02Å; S74-R78 CarbonylContact O-C 3.56Å; S74-R78 VanDerWaalsContact O-CA 3.32Å; S74-R78 WeakPolarHBondContact O-CA 3.34Å; S74-R78 PolarHBondContact O-N 2.74Å; S74-V79 CarbonylContact C-O 3.49Å; S74-V79 VanDerWaalsContact CA-O 3.24Å; S74-V79 WeakPolarHBondContact CA-O 3.24Å; S74-V79 WeakPolarHBondContact CB-O 3.5Å; S74-V79 PolarHBondContact O-N 3.03Å; S74-V79 VanDerWaalsContact O-O 3.06Å; S74-V79 PolarHBondContact OG-O 3.07Å; S74-H81 WeakPolarHBondContact OG-CA 3.11Å; S74-H81 PolarHBondContact OG-N 3.03Å |
| 75 | R | 96.6 | Very high | 96.1 | Very high | 152 Ų | 152 | 71 Ų | 71 | 57% | 0.574 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -71.9 | -48.2 | 177.8 | -71.9 | -176.1 | -68.3 | -98.6 | 2.5 | 112.3 | C71 V72 I73 R78 | C71-R75 VanDerWaalsContact O-CZ 3.29Å; C71-R75 PolarHBondContact O-N 2.75Å; V72-R75 PolarHBondContact O-N 3.45Å; I73-R75 PolarHBondContact O-N 3.5Å; R75-R78 PolarHBondContact O-N 3.2Å; R75-R78 VanDerWaalsContact O-N 3.15Å |
| 76 | Q | 96.3 | Very high | 96.1 | Very high | 127 Ų | 127 | 71.5 Ų | 71.5 | 59% | 0.593 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -66.2 | -42.1 | -174.1 | -175.1 | 169 | -5.6 | 0 | 0 | 112.6 | M63 V72 I73 R78 | M63-Q76 HydrophobicContact CE-CB 4.15Å; M63-Q76 HydrophobicContact CE-CG 4.16Å; V72-Q76 WeakPolarHBondContact O-CB 3.34Å; V72-Q76 PolarHBondContact O-N 3.1Å; I73-Q76 PolarHBondContact O-N 2.74Å; Q76-R78 VanDerWaalsContact C-N 3.3Å |
| 77 | L | 96.4 | Very high | 96 | Very high | 37 Ų | 37 | 65.5 Ų | 65.5 | 19% | 0.194 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -1.1 | 175.6 | -56.1 | -179.2 | 0 | 0 | 0 | 112.9 | I56 K59 I60 M63 I73 V79 | I56-L77 HydrophobicContact CG2-CD1 4.36Å; K59-L77 HydrophobicContact CB-CD1 4.08Å; K59-L77 HydrophobicContact CB-CD2 4.37Å; K59-L77 HydrophobicContact CG-CD1 4.12Å; K59-L77 HydrophobicContact CG-CD2 3.77Å; I60-L77 HydrophobicContact CB-CD1 4.48Å; I60-L77 HydrophobicContact CG1-CD1 3.57Å; M63-L77 HydrophobicContact SD-CD1 3.83Å; M63-L77 HydrophobicContact SD-CD2 3.97Å; M63-L77 HydrophobicContact SD-CG 3.85Å; I73-L77 HydrophobicContact CG2-CD1 3.76Å; I73-L77 HydrophobicContact CG2-CG 4.37Å; I73-L77 WeakPolarHBondContact O-CB 3.3Å; I73-L77 PolarHBondContact O-N 3.38Å; L77-V79 HydrophobicContact CB-CG2 3.99Å; L77-V79 WeakPolarHBondContact O-CG2 3.46Å; L77-V79 PolarHBondContact O-N 3.28Å; L77-V79 VanDerWaalsContact O-N 3.16Å |
| 78 | R | 96.4 | Very high | 96.1 | Very high | 139 Ų | 139 | 64 Ų | 64 | 53% | 0.525 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 31.1 | -175 | -53.1 | -177.7 | 177.7 | -169.1 | -1.4 | 113.6 | N40 L42 G43 S74 R75 Q76 | N40-R78 PolarHBondContact ND2-O 2.97Å; N40-R78 PolarHBondContact OD1-O 3.44Å; L42-R78 HydrophobicContact CB-CB 4.17Å; L42-R78 WeakPolarHBondContact O-CB 3.31Å; L42-R78 VanDerWaalsContact O-CD 3.27Å; L42-R78 WeakPolarHBondContact O-CD 3.18Å; L42-R78 VanDerWaalsContact O-CG 3.29Å; L42-R78 WeakPolarHBondContact O-CG 3.42Å; G43-R78 WeakPolarHBondContact O-CD 3.3Å; G43-R78 PolarHBondContact O-NH1 3.38Å; S74-R78 CarbonylContact O-C 3.56Å; S74-R78 VanDerWaalsContact O-CA 3.32Å; S74-R78 WeakPolarHBondContact O-CA 3.34Å; S74-R78 PolarHBondContact O-N 2.74Å; R75-R78 PolarHBondContact O-N 3.2Å; R75-R78 VanDerWaalsContact O-N 3.15Å; Q76-R78 VanDerWaalsContact C-N 3.3Å |
| 79 | V | 95.9 | Very high | 95.9 | Very high | 9 Ų | 9 | 64.3 Ų | 64.3 | 6% | 0.055 | 33% | 0.328 | C | S | . | . | trans | -99.5 | 135.2 | 179.1 | 177.1 | 0 | 0 | 0 | 0 | 109.1 | L42 L52 I56 I60 S74 L77 H81 C83 V84 | L42-V79 WeakPolarHBondContact CD1-O 3.47Å; L52-V79 HydrophobicContact CD1-CG2 4.33Å; L52-V79 HydrophobicContact CD2-CG1 4Å; L52-V79 HydrophobicContact CD2-CG2 4.01Å; I56-V79 HydrophobicContact CG2-CG2 3.66Å; I60-V79 HydrophobicContact CD1-CG1 4.21Å; I60-V79 HydrophobicContact CD1-CG2 4.44Å; S74-V79 CarbonylContact C-O 3.49Å; S74-V79 VanDerWaalsContact CA-O 3.24Å; S74-V79 WeakPolarHBondContact CA-O 3.24Å; S74-V79 WeakPolarHBondContact CB-O 3.5Å; S74-V79 PolarHBondContact O-N 3.03Å; S74-V79 VanDerWaalsContact O-O 3.06Å; S74-V79 PolarHBondContact OG-O 3.07Å; L77-V79 HydrophobicContact CB-CG2 3.99Å; L77-V79 WeakPolarHBondContact O-CG2 3.46Å; L77-V79 PolarHBondContact O-N 3.28Å; L77-V79 VanDerWaalsContact O-N 3.16Å; V79-H81 PolarHBondContact O-N 3.4Å; V79-C83 HydrophobicContact CG1-CB 3.73Å; V79-V84 HydrophobicContact CB-CG2 4.01Å; V79-V84 HydrophobicContact CG1-CG2 3.82Å | ||
| 80 | S | 96.4 | Very high | 95.7 | Very high | 63 Ų | 63 | 59.4 Ų | 59.4 | 44% | 0.441 | 31% | 0.31 | S | S | . | . | trans | -59.3 | 139.7 | -179.8 | 63.4 | 0 | 0 | 0 | 0 | 112.5 | G82 C83 V84 | S80-G82 VanDerWaalsContact C-N 3.29Å; S80-G82 PolarHBondContact O-N 3.45Å; S80-C83 WeakPolarHBondContact O-CA 3.25Å; S80-C83 VanDerWaalsContact O-CB 3.27Å; S80-C83 WeakPolarHBondContact O-CB 3.01Å; S80-C83 PolarHBondContact O-N 3.17Å; S80-V84 PolarHBondContact O-N 3.12Å; S80-V84 VanDerWaalsContact O-N 3.13Å | ||
| 81 | H | 96.5 | Very high | 95.7 | Very high | 102 Ų | 102 | 60.4 Ų | 60.4 | 47% | 0.472 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -54.8 | -41.2 | -173.8 | -175.6 | -113.6 | 0 | 0 | 0 | 113.3 | S74 V79 C83 V84 S85 | S74-H81 WeakPolarHBondContact OG-CA 3.11Å; S74-H81 PolarHBondContact OG-N 3.03Å; V79-H81 PolarHBondContact O-N 3.4Å; H81-C83 PolarHBondContact O-N 3.16Å; H81-V84 PolarHBondContact O-N 2.88Å; H81-S85 WeakPolarHBondContact O-CB 3.17Å; H81-S85 PolarHBondContact O-N 3.17Å |
| 82 | G | 95.4 | Very high | 95.5 | Very high | 45 Ų | 45 | 67 Ų | 67 | 46% | 0.464 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -71.6 | -5.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | S80 K86 | S80-G82 VanDerWaalsContact C-N 3.29Å; S80-G82 PolarHBondContact O-N 3.45Å; G82-K86 WeakPolarHBondContact O-CB 3.42Å; G82-K86 PolarHBondContact O-NZ 3.24Å |
| 83 | C | 95 | Very high | 94.8 | Very high | 33 Ų | 33 | 70 Ų | 70 | 22% | 0.223 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -91.6 | -47.4 | 166.3 | -168.9 | 0 | 0 | 0 | 0 | 110.5 | V79 S80 H81 S85 K86 I87 | V79-C83 HydrophobicContact CG1-CB 3.73Å; S80-C83 WeakPolarHBondContact O-CA 3.25Å; S80-C83 VanDerWaalsContact O-CB 3.27Å; S80-C83 WeakPolarHBondContact O-CB 3.01Å; S80-C83 PolarHBondContact O-N 3.17Å; H81-C83 PolarHBondContact O-N 3.16Å; C83-S85 PolarHBondContact O-N 3.42Å; C83-K86 PolarHBondContact O-N 3.09Å; C83-K86 VanDerWaalsContact O-N 3.14Å; C83-I87 WeakPolarHBondContact O-CG1 3.37Å; C83-I87 PolarHBondContact O-N 3.34Å |
| 84 | V | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -53.7 | -55.6 | 174.1 | 177.9 | 0 | 0 | 0 | 0 | 111 | I60 P70 I73 V79 S80 H81 K86 I87 L88 | I60-V84 HydrophobicContact CD1-CG2 4.26Å; I60-V84 HydrophobicContact CG1-CG2 4.47Å; I60-V84 HydrophobicContact CG2-CG1 4.05Å; P70-V84 HydrophobicContact CB-CG1 4.14Å; I73-V84 HydrophobicContact CB-CG1 4.15Å; I73-V84 HydrophobicContact CG2-CG1 3.95Å; I73-V84 HydrophobicContact CG2-CG2 4.36Å; V79-V84 HydrophobicContact CB-CG2 4.01Å; V79-V84 HydrophobicContact CG1-CG2 3.82Å; S80-V84 PolarHBondContact O-N 3.12Å; S80-V84 VanDerWaalsContact O-N 3.13Å; H81-V84 PolarHBondContact O-N 2.88Å; V84-K86 VanDerWaalsContact C-N 3.25Å; V84-K86 PolarHBondContact O-N 2.95Å; V84-I87 PolarHBondContact O-N 2.8Å; V84-I87 VanDerWaalsContact O-N 3.09Å; V84-L88 HydrophobicContact CG1-CD1 3.92Å; V84-L88 HydrophobicContact CG1-CG 4.43Å; V84-L88 WeakPolarHBondContact O-CG 3.43Å; V84-L88 PolarHBondContact O-N 3.47Å |
| 85 | S | 96.6 | Very high | 94 | Very high | 62 Ų | 62 | 75.7 Ų | 75.7 | 43% | 0.434 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -55.9 | -37.6 | 177.4 | 165.8 | 0 | 0 | 0 | 0 | 112.9 | H81 C83 C89 | H81-S85 WeakPolarHBondContact O-CB 3.17Å; H81-S85 PolarHBondContact O-N 3.17Å; C83-S85 PolarHBondContact O-N 3.42Å; S85-C89 WeakPolarHBondContact O-CB 3.32Å; S85-C89 PolarHBondContact O-N 2.94Å |
| 86 | K | 94.9 | Very high | 93.5 | Very high | 144 Ų | 144 | 70.4 Ų | 70.4 | 63% | 0.626 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -72.2 | -32 | 179.3 | -173.7 | -179.4 | -64.2 | 95.8 | 0 | 112.8 | G82 C83 V84 R90 | G82-K86 WeakPolarHBondContact O-CB 3.42Å; G82-K86 PolarHBondContact O-NZ 3.24Å; C83-K86 PolarHBondContact O-N 3.09Å; C83-K86 VanDerWaalsContact O-N 3.14Å; V84-K86 VanDerWaalsContact C-N 3.25Å; V84-K86 PolarHBondContact O-N 2.95Å; K86-R90 WeakPolarHBondContact O-CB 3.25Å; K86-R90 PolarHBondContact O-N 2.75Å |
| 87 | I | 95.3 | Very high | 93.1 | Very high | 10 Ų | 10 | 65.9 Ų | 65.9 | 5% | 0.051 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -73.9 | -47.9 | 175.4 | -70.8 | 163.1 | 0 | 0 | 0 | 109.9 | L52 R57 I60 V61 C83 V84 R90 Y91 | L52-I87 HydrophobicContact CD2-CD1 3.83Å; R57-I87 HydrophobicContact CG-CD1 4.11Å; I60-I87 HydrophobicContact CB-CG2 4.39Å; I60-I87 HydrophobicContact CD1-CD1 3.59Å; I60-I87 HydrophobicContact CG2-CB 4.19Å; I60-I87 HydrophobicContact CG2-CG2 3.82Å; V61-I87 HydrophobicContact CG2-CG2 4.3Å; C83-I87 WeakPolarHBondContact O-CG1 3.37Å; C83-I87 PolarHBondContact O-N 3.34Å; V84-I87 PolarHBondContact O-N 2.8Å; V84-I87 VanDerWaalsContact O-N 3.09Å; I87-R90 PolarHBondContact O-N 2.8Å; I87-Y91 WeakPolarHBondContact O-CB 3.12Å; I87-Y91 PolarHBondContact O-N 2.85Å |
| 88 | L | 95.4 | Very high | 92.7 | Very high | 30 Ų | 30 | 72.4 Ų | 72.4 | 16% | 0.157 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 179 | -65.3 | 177.6 | 0 | 0 | 0 | 112.4 | I60 V61 A64 P70 V84 Y91 Q92 | I60-L88 HydrophobicContact CG2-CD2 3.75Å; I60-L88 HydrophobicContact CG2-CG 3.89Å; V61-L88 HydrophobicContact CG2-CD2 4.19Å; A64-L88 HydrophobicContact CB-CD1 4.09Å; A64-L88 HydrophobicContact CB-CD2 3.49Å; A64-L88 VanDerWaalsContact CB-CD2 3.49Å; A64-L88 HydrophobicContact CB-CG 4.46Å; P70-L88 HydrophobicContact CB-CD1 4.27Å; P70-L88 HydrophobicContact CG-CD1 3.92Å; V84-L88 HydrophobicContact CG1-CD1 3.92Å; V84-L88 HydrophobicContact CG1-CG 4.43Å; V84-L88 WeakPolarHBondContact O-CG 3.43Å; V84-L88 PolarHBondContact O-N 3.47Å; L88-Y91 WeakPolarHBondContact O-CB 3.47Å; L88-Y91 PolarHBondContact O-N 3.33Å; L88-Q92 PolarHBondContact O-N 3.26Å |
| 89 | C | 93.9 | Very high | 92.3 | Very high | 62 Ų | 62 | 68.2 Ų | 68.2 | 42% | 0.419 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 175.9 | -178.7 | 0 | 0 | 0 | 0 | 111.7 | S85 Y91 Q92 E93 | S85-C89 WeakPolarHBondContact O-CB 3.32Å; S85-C89 PolarHBondContact O-N 2.94Å; C89-Y91 VanDerWaalsContact C-N 3.3Å; C89-Y91 PolarHBondContact O-N 2.84Å; C89-Q92 PolarHBondContact O-N 3.36Å; C89-E93 WeakPolarHBondContact O-CG 3.42Å; C89-E93 PolarHBondContact O-N 3.19Å |
| 90 | R | 91.3 | Very high | 91.6 | Very high | 81 Ų | 81 | 69.5 Ų | 69.5 | 31% | 0.306 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.1 | -39.2 | 174.6 | 177 | -175.7 | 176.9 | 79.7 | -0.4 | 112.4 | K86 I87 E93 T94 R98 | K86-R90 WeakPolarHBondContact O-CB 3.25Å; K86-R90 PolarHBondContact O-N 2.75Å; I87-R90 PolarHBondContact O-N 2.8Å; R90-E93 PolarHBondContact O-N 2.76Å; R90-T94 PolarHBondContact O-N 3.19Å; R90-T94 PolarHBondContact O-OG1 3.32Å; R90-R98 PolarHBondContact NE-O 3.45Å; R90-R98 PolarHBondContact NH2-O 3.32Å |
| 91 | Y | 93.3 | Very high | 90.7 | Very high | 74 Ų | 74 | 71.6 Ų | 71.6 | 29% | 0.29 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.7 | -45 | 177.9 | -178.3 | -102.4 | 0 | 0 | 0 | 110.6 | V61 H65 I87 L88 C89 E93 T94 G95 I97 | V61-Y91 HydrophobicContact CG1-CD1 3.71Å; V61-Y91 HydrophobicContact CG1-CD2 4.06Å; V61-Y91 HydrophobicContact CG1-CE1 3.46Å; V61-Y91 VanDerWaalsContact CG1-CE1 3.46Å; V61-Y91 HydrophobicContact CG1-CE2 3.84Å; V61-Y91 HydrophobicContact CG1-CG 4.01Å; V61-Y91 HydrophobicContact CG2-CD1 4.17Å; V61-Y91 HydrophobicContact CG2-CD2 4.03Å; V61-Y91 HydrophobicContact CG2-CG 3.81Å; H65-Y91 AromaticContact NE2-CE1 3.48Å; H65-Y91 WeakPolarHBondContact NE2-CE1 3.48Å; I87-Y91 WeakPolarHBondContact O-CB 3.12Å; I87-Y91 PolarHBondContact O-N 2.85Å; L88-Y91 WeakPolarHBondContact O-CB 3.47Å; L88-Y91 PolarHBondContact O-N 3.33Å; C89-Y91 VanDerWaalsContact C-N 3.3Å; C89-Y91 PolarHBondContact O-N 2.84Å; Y91-E93 VanDerWaalsContact C-N 3.31Å; Y91-E93 PolarHBondContact O-N 3.08Å; Y91-T94 PolarHBondContact O-N 3.03Å; Y91-G95 VanDerWaalsContact CD2-O 3.28Å; Y91-G95 WeakPolarHBondContact CD2-O 3.3Å; Y91-G95 WeakPolarHBondContact CE2-O 3.27Å; Y91-G95 VanDerWaalsContact O-CA 3.3Å; Y91-G95 WeakPolarHBondContact O-CA 3.28Å; Y91-G95 PolarHBondContact O-N 2.99Å; Y91-I97 HydrophobicContact CD2-CG2 3.71Å; Y91-I97 HydrophobicContact CE2-CG2 3.94Å |
| 92 | Q | 91.4 | Very high | 89.2 | Confident | 179 Ų | 179 | 72.1 Ų | 72.1 | 84% | 0.836 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -66.4 | -28.4 | 174.5 | -163.2 | 172.6 | 32.4 | 0 | 0 | 113.5 | L88 C89 | L88-Q92 PolarHBondContact O-N 3.26Å; C89-Q92 PolarHBondContact O-N 3.36Å |
| 93 | E | 83.7 | Confident | 87.3 | Confident | 114 Ų | 114 | 73.1 Ų | 73.1 | 53% | 0.533 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -77.1 | -26.5 | 174.2 | -76.2 | -177.9 | 155.5 | 0 | 0 | 114.3 | C89 R90 Y91 | C89-E93 WeakPolarHBondContact O-CG 3.42Å; C89-E93 PolarHBondContact O-N 3.19Å; R90-E93 PolarHBondContact O-N 2.76Å; Y91-E93 VanDerWaalsContact C-N 3.31Å; Y91-E93 PolarHBondContact O-N 3.08Å |
| 94 | T | 87.4 | Confident | 85.4 | Confident | 76 Ų | 76 | 75.2 Ų | 75.2 | 47% | 0.466 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -144.4 | -5.1 | -162.8 | 66 | 0 | 0 | 0 | 0 | 116.7 | R90 Y91 S96 | R90-T94 PolarHBondContact O-N 3.19Å; R90-T94 PolarHBondContact O-OG1 3.32Å; Y91-T94 PolarHBondContact O-N 3.03Å; T94-S96 PolarHBondContact O-N 3.47Å; T94-S96 PolarHBondContact OG1-N 2.76Å |
| 95 | G | 88.3 | Confident | 83.3 | Confident | 51 Ų | 51 | 80.1 Ų | 80.1 | 53% | 0.526 | 48% | 0.481 | S | S | . | . | S | Bend | trans | 62.4 | -9.5 | -165.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y91 I97 | Y91-G95 VanDerWaalsContact CD2-O 3.28Å; Y91-G95 WeakPolarHBondContact CD2-O 3.3Å; Y91-G95 WeakPolarHBondContact CE2-O 3.27Å; Y91-G95 VanDerWaalsContact O-CA 3.3Å; Y91-G95 WeakPolarHBondContact O-CA 3.28Å; Y91-G95 PolarHBondContact O-N 2.99Å; G95-I97 PolarHBondContact O-N 2.91Å |
| 96 | S | 86.9 | Confident | 81.3 | Confident | 41 Ų | 41 | 85.8 Ų | 85.8 | 29% | 0.287 | 50% | 0.498 | S | S | . | . | trans | -97.1 | 105.3 | -165.3 | -162.1 | 0 | 0 | 0 | 0 | 112.9 | T94 R98 | T94-S96 PolarHBondContact O-N 3.47Å; T94-S96 PolarHBondContact OG1-N 2.76Å; S96-R98 PolarHBondContact O-N 2.87Å | ||
| 97 | I | 88.9 | Confident | 79.4 | Confident | 32 Ų | 32 | 84.1 Ų | 84.1 | 16% | 0.164 | 50% | 0.502 | C | S | . | . | trans | -60.5 | -19.9 | 168 | 59.9 | 170.7 | 0 | 0 | 0 | 113.3 | R57 H58 V61 Y91 G95 | R57-I97 PolarHBondContact NE-O 3.39Å; R57-I97 PolarHBondContact NH2-O 2.96Å; H58-I97 WeakPolarHBondContact CE1-CD1 3.48Å; H58-I97 WeakPolarHBondContact NE2-CD1 3.41Å; V61-I97 HydrophobicContact CG2-CG2 4.02Å; Y91-I97 HydrophobicContact CD2-CG2 3.71Å; Y91-I97 HydrophobicContact CE2-CG2 3.94Å; G95-I97 PolarHBondContact O-N 2.91Å | ||
| 98 | R | 87.9 | Confident | 77.3 | Confident | 173 Ų | 173 | 94.2 Ų | 94.2 | 65% | 0.653 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -66.5 | 141.5 | -174.1 | -63.4 | -179.4 | 76.6 | -126.2 | 8 | 111.2 | R57 R90 S96 | R57-R98 PolarHBondContact NH2-O 3.07Å; R90-R98 PolarHBondContact NE-O 3.45Å; R90-R98 PolarHBondContact NH2-O 3.32Å; S96-R98 PolarHBondContact O-N 2.87Å |
| 99 | P | 86.5 | Confident | 75.4 | Confident | 51 Ų | 51 | 100.3 Ų | 100.3 | 33% | 0.331 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -58.6 | 148.9 | 168.9 | 27.3 | -33.7 | 0 | 0 | 0 | 110 | P51 | P51-P99 HydrophobicContact CB-CB 3.69Å; P51-P99 HydrophobicContact CB-CG 4.1Å; P51-P99 HydrophobicContact CG-CB 4.15Å; P51-P99 HydrophobicContact CG-CG 4.13Å |
| 100 | G | 81.9 | Confident | 73.5 | Confident | 36 Ų | 36 | 99.5 Ų | 99.5 | 37% | 0.371 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -67.9 | 161.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | I102 | G100-I102 PolarHBondContact O-N 2.65Š|
| 101 | A | 76.5 | Confident | 72 | Confident | 107 Ų | 107 | 96.2 Ų | 96.2 | 88% | 0.884 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 130.5 | 171 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 102 | I | 65.6 | Low | 71 | Confident | 114 Ų | 114 | 96.4 Ų | 96.4 | 59% | 0.585 | 56% | 0.56 | S | S | * | * | trans | -115.5 | 117.6 | 178.5 | -67.2 | 163.5 | 0 | 0 | 0 | 106.5 | P51 G100 | P51-I102 HydrophobicContact CB-CD1 4.07Å; P51-I102 HydrophobicContact CG-CD1 4.07Å; G100-I102 PolarHBondContact O-N 2.65Å | ||
| 103 | G | 55.6 | Low | 70.2 | Confident | 65 Ų | 65 | 92.3 Ų | 92.3 | 67% | 0.67 | 55% | 0.548 | S | S | * | . | trans | 81.6 | -175.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 104 | G | 55.6 | Low | 69.8 | Low | 77 Ų | 77 | 91.5 Ų | 91.5 | 79% | 0.794 | 55% | 0.548 | S | S | * | . | trans | 79.9 | 122.3 | -154.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 105 | S | 52.9 | Low | 69.5 | Low | 104 Ų | 104 | 88 Ų | 88 | 73% | 0.727 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 153 | 151.6 | 55.2 | 0 | 0 | 0 | 0 | 107.7 | ||
| 106 | K | 54 | Low | 69.3 | Low | 180 Ų | 180 | 89.4 Ų | 89.4 | 78% | 0.783 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -48.8 | 140.2 | 149.3 | -67.5 | -177.5 | 176.9 | -175.3 | 0 | 106.4 | R108 | K106-R108 PolarHBondContact O-N 3.45Š|
| 107 | P | 54.2 | Low | 69.2 | Low | 110 Ų | 110 | 93.3 Ų | 93.3 | 71% | 0.714 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -50.6 | 123.6 | 164.4 | 23.1 | -31.5 | 0 | 0 | 0 | 106.2 | Q109 | P107-Q109 PolarHBondContact O-N 2.98Š|
| 108 | R | 51.9 | Low | 68.9 | Low | 222 Ų | 222 | 94.9 Ų | 94.9 | 84% | 0.838 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 131.3 | 164.7 | -73.3 | -175.7 | -174.3 | -122.8 | 5.8 | 104.2 | K106 V110 | K106-R108 PolarHBondContact O-N 3.45Å; R108-V110 HydrophobicContact CB-CG2 3.84Å; R108-V110 PolarHBondContact O-N 3.3Å |
| 109 | Q | 54.9 | Low | 68.8 | Low | 158 Ų | 158 | 86.7 Ų | 86.7 | 74% | 0.738 | 50% | 0.504 | S | S | * | . | trans | -75.2 | 68.6 | 177.8 | -68.8 | 167.1 | -97.7 | 0 | 0 | 106.9 | P107 A111 | P107-Q109 PolarHBondContact O-N 2.98Å; Q109-A111 VanDerWaalsContact C-N 3.31Å; Q109-A111 CarbonylContact C-O 3.31Å; Q109-A111 VanDerWaalsContact C-O 3.31Å | ||
| 110 | V | 55.7 | Low | 68.8 | Low | 45 Ų | 45 | 85.8 Ų | 85.8 | 27% | 0.273 | 50% | 0.495 | S | S | . | . | trans | -63.8 | -43.7 | -175.4 | 163.5 | 0 | 0 | 0 | 0 | 108.4 | R108 G152 A154 | R108-V110 HydrophobicContact CB-CG2 3.84Å; R108-V110 PolarHBondContact O-N 3.3Å; V110-G152 VanDerWaalsContact CG1-O 3.27Å; V110-G152 WeakPolarHBondContact CG1-O 3.16Å; V110-A154 WeakPolarHBondContact O-CA 3.48Å; V110-A154 WeakPolarHBondContact O-CB 3.42Å; V110-A154 PolarHBondContact O-N 3.04Å | ||
| 111 | A | 59.2 | Low | 69.1 | Low | 12 Ų | 12 | 86.7 Ų | 86.7 | 10% | 0.099 | 49% | 0.49 | C | S | . | . | S | Bend | trans | -91.4 | 137 | 156.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q109 E116 A154 | Q109-A111 VanDerWaalsContact C-N 3.31Å; Q109-A111 CarbonylContact C-O 3.31Å; Q109-A111 VanDerWaalsContact C-O 3.31Å; A111-E116 HydrophobicContact CB-CG 3.38Å; A111-A154 HydrophobicContact CB-CB 4.13Å |
| 112 | T | 71.3 | Confident | 69.6 | Low | 78 Ų | 78 | 81.6 Ų | 81.6 | 48% | 0.479 | 45% | 0.448 | S | S | . | . | trans | -67.8 | 147.5 | 155.6 | 50.4 | 0 | 0 | 0 | 0 | 108.2 | D114 V115 E116 | T112-D114 PolarHBondContact O-N 2.89Å; T112-V115 PolarHBondContact O-N 2.77Å; T112-V115 VanDerWaalsContact OG1-CG2 3.28Å; T112-V115 WeakPolarHBondContact OG1-CG2 3.44Å; T112-E116 PolarHBondContact O-N 2.89Å | ||
| 113 | P | 75.8 | Confident | 70.5 | Confident | 92 Ų | 92 | 78.1 Ų | 78.1 | 60% | 0.597 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.5 | -20.4 | -176.3 | 25.2 | -34.9 | 0 | 0 | 0 | 113.2 | K117 | P113-K117 WeakPolarHBondContact O-CB 3.34Å; P113-K117 PolarHBondContact O-N 2.9Å |
| 114 | D | 75.4 | Confident | 72 | Confident | 97 Ų | 97 | 82.3 Ų | 82.3 | 52% | 0.519 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -72.8 | -39.2 | 174.9 | -159.4 | 55.7 | 0 | 0 | 0 | 112.3 | T112 K117 R118 | T112-D114 PolarHBondContact O-N 2.89Å; D114-K117 PolarHBondContact O-N 3.28Å; D114-R118 WeakPolarHBondContact O-CB 3.24Å; D114-R118 PolarHBondContact O-N 3.44Å |
| 115 | V | 81.5 | Confident | 73.5 | Confident | 4 Ų | 4 | 83.1 Ų | 83.1 | 2% | 0.024 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -66.5 | -39.8 | 172.2 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | T112 R118 I119 L138 V143 A154 | T112-V115 PolarHBondContact O-N 2.77Å; T112-V115 VanDerWaalsContact OG1-CG2 3.28Å; T112-V115 WeakPolarHBondContact OG1-CG2 3.44Å; V115-R118 PolarHBondContact O-N 3.03Å; V115-I119 HydrophobicContact CG1-CD1 3.88Å; V115-I119 HydrophobicContact CG1-CG1 4.41Å; V115-I119 WeakPolarHBondContact O-CD1 3.46Å; V115-I119 VanDerWaalsContact O-CG1 3.24Å; V115-I119 WeakPolarHBondContact O-CG1 3.35Å; V115-I119 PolarHBondContact O-N 2.86Å; V115-L138 HydrophobicContact CG1-CD1 4.03Å; V115-L138 HydrophobicContact CG1-CD2 4.36Å; V115-V143 HydrophobicContact CG2-CG1 4.13Å; V115-A154 HydrophobicContact CB-CB 4.39Å; V115-A154 HydrophobicContact CG1-CB 3.98Å; V115-A154 HydrophobicContact CG2-CB 4.42Å |
| 116 | E | 83.1 | Confident | 74.9 | Confident | 79 Ų | 79 | 82 Ų | 82 | 37% | 0.369 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 174.7 | -60.2 | -169.7 | 137.9 | 0 | 0 | 111.4 | A111 T112 R118 I119 E120 V163 | A111-E116 HydrophobicContact CB-CG 3.38Å; T112-E116 PolarHBondContact O-N 2.89Å; E116-R118 VanDerWaalsContact C-N 3.34Å; E116-R118 PolarHBondContact O-N 2.72Å; E116-I119 WeakPolarHBondContact O-CB 3.2Å; E116-I119 PolarHBondContact O-N 2.87Å; E116-E120 WeakPolarHBondContact O-CG 3.5Å; E116-E120 PolarHBondContact O-N 3.45Å; E116-V163 HydrophobicContact CG-CG2 4.32Å |
| 117 | K | 84.6 | Confident | 76.3 | Confident | 123 Ų | 123 | 78.1 Ų | 78.1 | 54% | 0.535 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -57.8 | -43 | 174.7 | 178.2 | -168.6 | 168.9 | -157.3 | 0 | 112.2 | P113 D114 E120 E121 | P113-K117 WeakPolarHBondContact O-CB 3.34Å; P113-K117 PolarHBondContact O-N 2.9Å; D114-K117 PolarHBondContact O-N 3.28Å; K117-E120 PolarHBondContact O-N 2.77Å; K117-E121 WeakPolarHBondContact O-CB 3.16Å; K117-E121 PolarHBondContact O-N 3.39Å |
| 118 | R | 83.3 | Confident | 77.7 | Confident | 66 Ų | 66 | 75.8 Ų | 75.8 | 25% | 0.249 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -71.7 | -33.2 | -179.9 | -163.5 | 69.2 | 170 | 160.6 | 2.5 | 112.5 | D114 V115 E116 E121 Y122 L138 D141 V143 | D114-R118 WeakPolarHBondContact O-CB 3.24Å; D114-R118 PolarHBondContact O-N 3.44Å; V115-R118 PolarHBondContact O-N 3.03Å; E116-R118 VanDerWaalsContact C-N 3.34Å; E116-R118 PolarHBondContact O-N 2.72Å; R118-E121 VanDerWaalsContact CD-OE2 3.29Å; R118-E121 WeakPolarHBondContact CD-OE2 3.34Å; R118-E121 IonicContact CZ-OE2 2.8Å; R118-E121 IonicContact NE-OE2 3.17Å; R118-E121 IonicContact NH1-OE2 3.24Å; R118-E121 PolarHBondContact NH1-OE2 3.34Å; R118-E121 PolarHBondContact O-N 2.89Å; R118-Y122 HydrophobicContact CG-CD1 4.49Å; R118-Y122 HydrophobicContact CG-CE1 3.81Å; R118-Y122 HydrophobicContact CG-CE2 3.94Å; R118-Y122 VanDerWaalsContact CG-CZ 3.49Å; R118-Y122 VanDerWaalsContact CZ-CE1 3.43Å; R118-Y122 VanDerWaalsContact NE-CZ 3.29Å; R118-Y122 PolarHBondContact NE-OH 3.22Å; R118-Y122 PolarHBondContact NH2-OH 3.46Å; R118-Y122 VanDerWaalsContact O-CG 3.28Å; R118-Y122 PolarHBondContact O-N 3Å; R118-L138 HydrophobicContact CB-CD2 3.86Å; R118-L138 HydrophobicContact CG-CD2 3.72Å; R118-D141 IonicContact CZ-OD2 3.65Å; R118-D141 IonicContact NH2-OD2 2.69Å; R118-D141 PolarHBondContact NH2-OD2 3.01Å; R118-V143 HydrophobicContact CB-CG1 4.31Å; R118-V143 HydrophobicContact CG-CG1 4.31Å; R118-V143 HydrophobicContact CG-CG2 4.25Å |
| 119 | I | 85.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 169.6 | -69.9 | 162 | 0 | 0 | 0 | 110.9 | V115 E116 E121 Y122 K123 I134 L138 I160 V163 L164 | V115-I119 HydrophobicContact CG1-CD1 3.88Å; V115-I119 HydrophobicContact CG1-CG1 4.41Å; V115-I119 WeakPolarHBondContact O-CD1 3.46Å; V115-I119 VanDerWaalsContact O-CG1 3.24Å; V115-I119 WeakPolarHBondContact O-CG1 3.35Å; V115-I119 PolarHBondContact O-N 2.86Å; E116-I119 WeakPolarHBondContact O-CB 3.2Å; E116-I119 PolarHBondContact O-N 2.87Å; I119-E121 VanDerWaalsContact C-N 3.33Å; I119-E121 PolarHBondContact O-N 3.39Å; I119-Y122 PolarHBondContact O-N 3.24Å; I119-K123 PolarHBondContact O-N 3.38Å; I119-K123 VanDerWaalsContact O-N 3.09Å; I119-I134 HydrophobicContact CB-CG2 4.33Å; I119-I134 HydrophobicContact CG1-CG2 3.88Å; I119-I134 HydrophobicContact CG2-CG2 4.22Å; I119-L138 HydrophobicContact CD1-CD1 4.33Å; I119-L138 HydrophobicContact CG1-CD1 3.87Å; I119-I160 HydrophobicContact CD1-CB 4.47Å; I119-I160 HydrophobicContact CD1-CG1 3.84Å; I119-I160 HydrophobicContact CG1-CG1 4.35Å; I119-I160 HydrophobicContact CG2-CG2 4.24Å; I119-V163 HydrophobicContact CB-CG1 4.49Å; I119-V163 HydrophobicContact CD1-CG2 4.48Å; I119-V163 HydrophobicContact CG2-CB 4.46Å; I119-V163 HydrophobicContact CG2-CG1 4Å; I119-L164 HydrophobicContact CG2-CD2 3.88Å; I119-L164 HydrophobicContact CG2-CG 4.27Å |
| 120 | E | 86.8 | Confident | 80.6 | Confident | 33 Ų | 33 | 65.2 Ų | 65.2 | 15% | 0.154 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.1 | -39.1 | 177 | -73 | 173.2 | -155.9 | 0 | 0 | 112.4 | E116 K117 R124 R167 F168 | E116-E120 WeakPolarHBondContact O-CG 3.5Å; E116-E120 PolarHBondContact O-N 3.45Å; K117-E120 PolarHBondContact O-N 2.77Å; E120-R124 VanDerWaalsContact O-CB 3.23Å; E120-R124 WeakPolarHBondContact O-CB 3Å; E120-R124 PolarHBondContact O-N 3.2Å; E120-R167 VanDerWaalsContact CD-NH2 3.28Å; E120-R167 IonicContact OE1-CZ 2.72Å; E120-R167 IonicContact OE1-NE 3.35Å; E120-R167 PolarHBondContact OE1-NE 3.15Å; E120-R167 IonicContact OE1-NH2 2.62Å; E120-R167 PolarHBondContact OE1-NH2 3.13Å; E120-R167 IonicContact OE2-CZ 3.78Å; E120-R167 IonicContact OE2-NE 2.78Å; E120-R167 IonicContact OE2-NH2 2.6Å; E120-R167 PolarHBondContact OE2-NH2 2.83Å; E120-F168 HydrophobicContact CB-CZ 4.48Å; E120-F168 HydrophobicContact CG-CE2 4.21Å |
| 121 | E | 87.8 | Confident | 82 | Confident | 55 Ų | 55 | 64.1 Ų | 64.1 | 26% | 0.257 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63 | -50.3 | 176.9 | -170.8 | 163.1 | -122 | 0 | 0 | 111.8 | K117 R118 I119 K123 R124 E125 | K117-E121 WeakPolarHBondContact O-CB 3.16Å; K117-E121 PolarHBondContact O-N 3.39Å; R118-E121 VanDerWaalsContact CD-OE2 3.29Å; R118-E121 WeakPolarHBondContact CD-OE2 3.34Å; R118-E121 IonicContact CZ-OE2 2.8Å; R118-E121 IonicContact NE-OE2 3.17Å; R118-E121 IonicContact NH1-OE2 3.24Å; R118-E121 PolarHBondContact NH1-OE2 3.34Å; R118-E121 PolarHBondContact O-N 2.89Å; I119-E121 VanDerWaalsContact C-N 3.33Å; I119-E121 PolarHBondContact O-N 3.39Å; E121-K123 VanDerWaalsContact C-N 3.33Å; E121-K123 PolarHBondContact O-N 3.44Å; E121-R124 PolarHBondContact O-N 2.91Å; E121-E125 WeakPolarHBondContact O-CG 3.45Å; E121-E125 PolarHBondContact O-N 2.67Å |
| 122 | Y | 86.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.5 | -37.9 | 178 | -62.7 | -13.7 | 0 | 0 | 0 | 113.1 | R118 I119 N126 I134 K137 L138 D141 | R118-Y122 HydrophobicContact CG-CD1 4.49Å; R118-Y122 HydrophobicContact CG-CE1 3.81Å; R118-Y122 HydrophobicContact CG-CE2 3.94Å; R118-Y122 VanDerWaalsContact CG-CZ 3.49Å; R118-Y122 VanDerWaalsContact CZ-CE1 3.43Å; R118-Y122 VanDerWaalsContact NE-CZ 3.29Å; R118-Y122 PolarHBondContact NE-OH 3.22Å; R118-Y122 PolarHBondContact NH2-OH 3.46Å; R118-Y122 VanDerWaalsContact O-CG 3.28Å; R118-Y122 PolarHBondContact O-N 3Å; I119-Y122 PolarHBondContact O-N 3.24Å; Y122-N126 PolarHBondContact O-N 2.92Å; Y122-I134 HydrophobicContact CD2-CG2 4.21Å; Y122-K137 HydrophobicContact CD1-CD 3.66Å; Y122-K137 HydrophobicContact CD1-CG 4.45Å; Y122-K137 HydrophobicContact CD2-CB 3.9Å; Y122-K137 HydrophobicContact CD2-CD 3.81Å; Y122-K137 HydrophobicContact CD2-CG 4.03Å; Y122-K137 HydrophobicContact CE1-CD 3.62Å; Y122-K137 HydrophobicContact CE1-CG 4.01Å; Y122-K137 HydrophobicContact CE2-CB 3.57Å; Y122-K137 HydrophobicContact CE2-CD 3.78Å; Y122-K137 HydrophobicContact CE2-CG 3.55Å; Y122-K137 HydrophobicContact CG-CD 3.76Å; Y122-K137 HydrophobicContact CG-CG 4.46Å; Y122-K137 PolarHBondContact OH-O 3.36Å; Y122-K137 VanDerWaalsContact OH-O 3.11Å; Y122-L138 HydrophobicContact CD2-CG 4.49Å; Y122-L138 HydrophobicContact CE2-CD2 3.92Å; Y122-L138 HydrophobicContact CE2-CG 3.92Å; Y122-D141 WeakPolarHBondContact OH-CB 3.3Å; Y122-D141 VanDerWaalsContact OH-CG 3.32Å; Y122-D141 PolarHBondContact OH-OD2 3.46Å |
| 123 | K | 85.3 | Confident | 83.9 | Confident | 40 Ų | 40 | 69.6 Ų | 69.6 | 17% | 0.174 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -72.4 | -30.2 | 177 | -167.8 | 61.4 | 162.4 | 175.2 | 0 | 112.7 | I119 E121 N126 P127 M129 I134 L164 F168 | I119-K123 PolarHBondContact O-N 3.38Å; I119-K123 VanDerWaalsContact O-N 3.09Å; E121-K123 VanDerWaalsContact C-N 3.33Å; E121-K123 PolarHBondContact O-N 3.44Å; K123-N126 CarbonylContact O-C 3.23Å; K123-N126 VanDerWaalsContact O-C 3.23Å; K123-P127 VanDerWaalsContact CE-O 3.29Å; K123-P127 WeakPolarHBondContact CE-O 3.43Å; K123-P127 PolarHBondContact NZ-O 3.04Å; K123-P127 VanDerWaalsContact O-CA 3.31Å; K123-P127 WeakPolarHBondContact O-CA 3.5Å; K123-M129 PolarHBondContact NZ-O 3.08Å; K123-I134 HydrophobicContact CB-CD1 4.4Å; K123-I134 HydrophobicContact CD-CD1 4.35Å; K123-L164 HydrophobicContact CB-CD2 3.86Å; K123-L164 HydrophobicContact CD-CD2 4.11Å; K123-L164 HydrophobicContact CG-CD2 3.73Å; K123-F168 HydrophobicContact CB-CE1 4.35Å; K123-F168 HydrophobicContact CB-CE2 3.91Å; K123-F168 HydrophobicContact CB-CZ 3.78Å; K123-F168 HydrophobicContact CG-CD1 4.24Å; K123-F168 HydrophobicContact CG-CD2 4.12Å; K123-F168 HydrophobicContact CG-CE1 4.04Å; K123-F168 HydrophobicContact CG-CE2 3.92Å; K123-F168 HydrophobicContact CG-CG 4.28Å; K123-F168 HydrophobicContact CG-CZ 3.88Å |
| 124 | R | 86.8 | Confident | 84.3 | Confident | 153 Ų | 153 | 65.2 Ų | 65.2 | 58% | 0.577 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -73.5 | -40.2 | 173.5 | 174 | 170.8 | 55.2 | -120.6 | -5.9 | 112.2 | E120 E121 N126 | E120-R124 VanDerWaalsContact O-CB 3.23Å; E120-R124 WeakPolarHBondContact O-CB 3Å; E120-R124 PolarHBondContact O-N 3.2Å; E121-R124 PolarHBondContact O-N 2.91Å; R124-N126 VanDerWaalsContact C-N 3.35Å |
| 125 | E | 86.3 | Confident | 84.7 | Confident | 94 Ų | 94 | 64.4 Ų | 64.4 | 44% | 0.439 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 172.8 | -71 | 169.8 | 168.3 | 0 | 0 | 111.7 | E121 K137 | E121-E125 WeakPolarHBondContact O-CG 3.45Å; E121-E125 PolarHBondContact O-N 2.67Å; E125-K137 IonicContact OE2-NZ 3.87Å; E125-K137 PolarHBondContact OE2-NZ 3.38Å |
| 126 | N | 83.5 | Confident | 84.8 | Confident | 81 Ų | 81 | 67.9 Ų | 67.9 | 43% | 0.433 | 33% | 0.327 | S | S | . | . | trans | -137.5 | 89.1 | -176.9 | -71.9 | -91.5 | 0 | 0 | 0 | 110.7 | Y122 K123 R124 G128 M129 | Y122-N126 PolarHBondContact O-N 2.92Å; K123-N126 CarbonylContact O-C 3.23Å; K123-N126 VanDerWaalsContact O-C 3.23Å; R124-N126 VanDerWaalsContact C-N 3.35Å; N126-G128 PolarHBondContact O-N 3.21Å; N126-G128 VanDerWaalsContact O-N 3.13Å; N126-M129 HydrophobicContact CB-CB 3.89Å; N126-M129 HydrophobicContact CB-CE 3.95Å; N126-M129 WeakPolarHBondContact O-CB 3.47Å; N126-M129 PolarHBondContact O-N 3.4Å | ||
| 127 | P | 82.3 | Confident | 84.8 | Confident | 98 Ų | 98 | 66.6 Ų | 66.6 | 64% | 0.636 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -26.5 | 178.2 | -28.8 | 37.2 | 0 | 0 | 0 | 114.2 | K123 M129 | K123-P127 VanDerWaalsContact CE-O 3.29Å; K123-P127 WeakPolarHBondContact CE-O 3.43Å; K123-P127 PolarHBondContact NZ-O 3.04Å; K123-P127 VanDerWaalsContact O-CA 3.31Å; K123-P127 WeakPolarHBondContact O-CA 3.5Å; P127-M129 VanDerWaalsContact C-N 3.31Å; P127-M129 PolarHBondContact O-N 2.95Å |
| 128 | G | 83.8 | Confident | 84.8 | Confident | 62 Ų | 62 | 60.7 Ų | 60.7 | 64% | 0.639 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -18.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | N126 F130 | N126-G128 PolarHBondContact O-N 3.21Å; N126-G128 VanDerWaalsContact O-N 3.13Å; G128-F130 PolarHBondContact O-N 3.07Å |
| 129 | M | 84 | Confident | 84.8 | Confident | 29 Ų | 29 | 60 Ų | 60 | 14% | 0.143 | 30% | 0.295 | C | S | . | . | trans | -65.5 | 129.8 | -167.9 | -165.8 | -179 | -80.4 | 0 | 0 | 112.8 | K123 N126 P127 E133 I134 K137 | K123-M129 PolarHBondContact NZ-O 3.08Å; N126-M129 HydrophobicContact CB-CB 3.89Å; N126-M129 HydrophobicContact CB-CE 3.95Å; N126-M129 WeakPolarHBondContact O-CB 3.47Å; N126-M129 PolarHBondContact O-N 3.4Å; P127-M129 VanDerWaalsContact C-N 3.31Å; P127-M129 PolarHBondContact O-N 2.95Å; M129-E133 WeakPolarHBondContact CA-OE2 3.16Å; M129-E133 HydrophobicContact CG-CB 3.52Å; M129-E133 HydrophobicContact CG-CG 4.48Å; M129-E133 WeakPolarHBondContact CG-OE2 3.38Å; M129-E133 HydrophobicContact SD-CB 4.23Å; M129-I134 HydrophobicContact CB-CG1 4.38Å; M129-I134 HydrophobicContact CG-CG1 3.8Å; M129-I134 HydrophobicContact SD-CG1 3.6Å; M129-I134 VanDerWaalsContact SD-CG1 3.6Å; M129-K137 HydrophobicContact CE-CD 4.32Å | ||
| 130 | F | 84.4 | Confident | 84.7 | Confident | 128 Ų | 128 | 68.5 Ų | 68.5 | 56% | 0.561 | 33% | 0.333 | S | S | * | . | trans | -81.5 | 157.8 | -178.1 | -66.6 | -76.9 | 0 | 0 | 0 | 112.6 | G128 W132 E133 I134 | G128-F130 PolarHBondContact O-N 3.07Å; F130-W132 HydrophobicContact CB-CG 4.39Å; F130-W132 AromaticContact CG-NE1 3.86Å; F130-W132 PolarHBondContact O-N 3.15Å; F130-E133 HydrophobicContact CB-CG 4.4Å; F130-E133 WeakPolarHBondContact CD2-OE2 3.48Å; F130-E133 PolarHBondContact N-OE2 3.15Å; F130-E133 PolarHBondContact O-N 3.23Å; F130-E133 VanDerWaalsContact O-N 3.1Å; F130-I134 WeakPolarHBondContact O-CG1 3.24Å; F130-I134 PolarHBondContact O-N 2.93Å | ||
| 131 | S | 83.6 | Confident | 84.5 | Confident | 22 Ų | 22 | 70 Ų | 70 | 15% | 0.154 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.9 | -16 | -179.7 | -52.6 | 0 | 0 | 0 | 0 | 115.3 | S161 L164 | S131-S161 VanDerWaalsContact CB-OG 3.25Å; S131-S161 WeakPolarHBondContact CB-OG 3.39Å; S131-S161 PolarHBondContact OG-OG 3.31Å; S131-L164 WeakPolarHBondContact OG-CD1 3.45Å |
| 132 | W | 83.3 | Confident | 84 | Confident | 139 Ų | 139 | 70.3 Ų | 70.3 | 53% | 0.527 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -90.5 | -39.1 | 174.8 | 65.3 | -92.8 | 0 | 0 | 0 | 111.9 | F130 I134 R135 D136 V157 | F130-W132 HydrophobicContact CB-CG 4.39Å; F130-W132 AromaticContact CG-NE1 3.86Å; F130-W132 PolarHBondContact O-N 3.15Å; W132-I134 VanDerWaalsContact C-N 3.32Å; W132-I134 PolarHBondContact O-N 3.02Å; W132-R135 VanDerWaalsContact O-CB 3.31Å; W132-R135 WeakPolarHBondContact O-CB 3.37Å; W132-R135 PolarHBondContact O-N 3.28Å; W132-R135 VanDerWaalsContact O-N 3.09Å; W132-D136 PolarHBondContact O-N 3.18Å; W132-V157 HydrophobicContact CB-CG2 4.42Å |
| 133 | E | 87.1 | Confident | 83.4 | Confident | 66 Ų | 66 | 72.4 Ų | 72.4 | 31% | 0.308 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 172.8 | -62.4 | 171.9 | 137.1 | 0 | 0 | 111.2 | M129 F130 R135 D136 K137 | M129-E133 WeakPolarHBondContact CA-OE2 3.16Å; M129-E133 HydrophobicContact CG-CB 3.52Å; M129-E133 HydrophobicContact CG-CG 4.48Å; M129-E133 WeakPolarHBondContact CG-OE2 3.38Å; M129-E133 HydrophobicContact SD-CB 4.23Å; F130-E133 HydrophobicContact CB-CG 4.4Å; F130-E133 WeakPolarHBondContact CD2-OE2 3.48Å; F130-E133 PolarHBondContact N-OE2 3.15Å; F130-E133 PolarHBondContact O-N 3.23Å; F130-E133 VanDerWaalsContact O-N 3.1Å; E133-R135 VanDerWaalsContact C-N 3.3Å; E133-R135 PolarHBondContact O-N 3.36Å; E133-D136 PolarHBondContact O-N 3.12Å; E133-K137 WeakPolarHBondContact O-CB 3.42Å; E133-K137 PolarHBondContact O-N 2.79Å |
| 134 | I | 85.3 | Confident | 82.7 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.4 | -41.4 | 172.4 | -70 | 172.1 | 0 | 0 | 0 | 110.7 | I119 Y122 K123 M129 F130 W132 K137 L138 I160 L164 | I119-I134 HydrophobicContact CB-CG2 4.33Å; I119-I134 HydrophobicContact CG1-CG2 3.88Å; I119-I134 HydrophobicContact CG2-CG2 4.22Å; Y122-I134 HydrophobicContact CD2-CG2 4.21Å; K123-I134 HydrophobicContact CB-CD1 4.4Å; K123-I134 HydrophobicContact CD-CD1 4.35Å; M129-I134 HydrophobicContact CB-CG1 4.38Å; M129-I134 HydrophobicContact CG-CG1 3.8Å; M129-I134 HydrophobicContact SD-CG1 3.6Å; M129-I134 VanDerWaalsContact SD-CG1 3.6Å; F130-I134 WeakPolarHBondContact O-CG1 3.24Å; F130-I134 PolarHBondContact O-N 2.93Å; W132-I134 VanDerWaalsContact C-N 3.32Å; W132-I134 PolarHBondContact O-N 3.02Å; I134-K137 PolarHBondContact O-N 2.95Å; I134-L138 HydrophobicContact CG2-CD1 4.28Å; I134-L138 VanDerWaalsContact O-CG 3.26Å; I134-L138 WeakPolarHBondContact O-CG 3.22Å; I134-L138 PolarHBondContact O-N 3.21Å; I134-I160 HydrophobicContact CB-CG2 4.19Å; I134-I160 HydrophobicContact CD1-CG2 4.45Å; I134-I160 HydrophobicContact CG2-CD1 4.33Å; I134-I160 HydrophobicContact CG2-CG2 3.78Å; I134-L164 HydrophobicContact CD1-CD1 3.98Å; I134-L164 HydrophobicContact CD1-CD2 4.11Å |
| 135 | R | 84.3 | Confident | 81.9 | Confident | 80 Ų | 80 | 68.8 Ų | 68.8 | 30% | 0.302 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 176 | 177.4 | -179.9 | 178.4 | -124.4 | 2.2 | 111.6 | W132 E133 K137 L138 L139 S155 I160 | W132-R135 VanDerWaalsContact O-CB 3.31Å; W132-R135 WeakPolarHBondContact O-CB 3.37Å; W132-R135 PolarHBondContact O-N 3.28Å; W132-R135 VanDerWaalsContact O-N 3.09Å; E133-R135 VanDerWaalsContact C-N 3.3Å; E133-R135 PolarHBondContact O-N 3.36Å; R135-K137 VanDerWaalsContact C-N 3.35Å; R135-L138 WeakPolarHBondContact O-CB 3.49Å; R135-L138 PolarHBondContact O-N 3.07Å; R135-L139 HydrophobicContact CG-CD1 4.07Å; R135-L139 WeakPolarHBondContact O-CG 3.41Å; R135-L139 PolarHBondContact O-N 3.41Å; R135-S155 WeakPolarHBondContact CD-O 3.42Å; R135-S155 VanDerWaalsContact CG-O 3.3Å; R135-S155 WeakPolarHBondContact CG-O 3.45Å; R135-S155 PolarHBondContact NE-O 3.18Å; R135-I160 HydrophobicContact CB-CD1 3.64Å; R135-I160 HydrophobicContact CG-CD1 4.39Å |
| 136 | D | 82.4 | Confident | 80.9 | Confident | 77 Ų | 77 | 75.4 Ų | 75.4 | 41% | 0.412 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -71.4 | -31.8 | -178.2 | -68.3 | -11.1 | 0 | 0 | 0 | 111.5 | W132 E133 L139 K140 | W132-D136 PolarHBondContact O-N 3.18Å; E133-D136 PolarHBondContact O-N 3.12Å; D136-L139 PolarHBondContact O-N 2.97Å; D136-K140 VanDerWaalsContact O-CB 3.25Å; D136-K140 WeakPolarHBondContact O-CB 3.44Å; D136-K140 PolarHBondContact O-N 2.85Å |
| 137 | K | 83.8 | Confident | 79.5 | Confident | 52 Ų | 52 | 76.5 Ų | 76.5 | 23% | 0.226 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -72.5 | -28.9 | 169.7 | -162.3 | -178.1 | 170.7 | -174.5 | 0 | 113 | Y122 E125 M129 E133 I134 R135 D141 | Y122-K137 HydrophobicContact CD1-CD 3.66Å; Y122-K137 HydrophobicContact CD1-CG 4.45Å; Y122-K137 HydrophobicContact CD2-CB 3.9Å; Y122-K137 HydrophobicContact CD2-CD 3.81Å; Y122-K137 HydrophobicContact CD2-CG 4.03Å; Y122-K137 HydrophobicContact CE1-CD 3.62Å; Y122-K137 HydrophobicContact CE1-CG 4.01Å; Y122-K137 HydrophobicContact CE2-CB 3.57Å; Y122-K137 HydrophobicContact CE2-CD 3.78Å; Y122-K137 HydrophobicContact CE2-CG 3.55Å; Y122-K137 HydrophobicContact CG-CD 3.76Å; Y122-K137 HydrophobicContact CG-CG 4.46Å; Y122-K137 PolarHBondContact OH-O 3.36Å; Y122-K137 VanDerWaalsContact OH-O 3.11Å; E125-K137 IonicContact OE2-NZ 3.87Å; E125-K137 PolarHBondContact OE2-NZ 3.38Å; M129-K137 HydrophobicContact CE-CD 4.32Å; E133-K137 WeakPolarHBondContact O-CB 3.42Å; E133-K137 PolarHBondContact O-N 2.79Å; I134-K137 PolarHBondContact O-N 2.95Å; R135-K137 VanDerWaalsContact C-N 3.35Å; K137-D141 WeakPolarHBondContact O-CB 3.4Å; K137-D141 PolarHBondContact O-N 2.96Å; K137-D141 VanDerWaalsContact O-N 3.14Å |
| 138 | L | 84.5 | Confident | 78.1 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -69.3 | -38.6 | 170.4 | -74.6 | 169.2 | 0 | 0 | 0 | 111.8 | V115 R118 I119 Y122 I134 R135 V143 C144 I160 | V115-L138 HydrophobicContact CG1-CD1 4.03Å; V115-L138 HydrophobicContact CG1-CD2 4.36Å; R118-L138 HydrophobicContact CB-CD2 3.86Å; R118-L138 HydrophobicContact CG-CD2 3.72Å; I119-L138 HydrophobicContact CD1-CD1 4.33Å; I119-L138 HydrophobicContact CG1-CD1 3.87Å; Y122-L138 HydrophobicContact CD2-CG 4.49Å; Y122-L138 HydrophobicContact CE2-CD2 3.92Å; Y122-L138 HydrophobicContact CE2-CG 3.92Å; I134-L138 HydrophobicContact CG2-CD1 4.28Å; I134-L138 VanDerWaalsContact O-CG 3.26Å; I134-L138 WeakPolarHBondContact O-CG 3.22Å; I134-L138 PolarHBondContact O-N 3.21Å; R135-L138 WeakPolarHBondContact O-CB 3.49Å; R135-L138 PolarHBondContact O-N 3.07Å; L138-V143 HydrophobicContact CD2-CB 4.05Å; L138-V143 HydrophobicContact CD2-CG1 3.95Å; L138-V143 PolarHBondContact O-N 2.97Å; L138-C144 PolarHBondContact O-N 3.31Å; L138-I160 HydrophobicContact CD1-CD1 4.21Å |
| 139 | L | 82.9 | Confident | 76.5 | Confident | 50 Ų | 50 | 74.3 Ų | 74.3 | 26% | 0.262 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -69.5 | -42.5 | 174.9 | -73.7 | 161.2 | 0 | 0 | 0 | 111.8 | R135 D136 G142 C144 R146 | R135-L139 HydrophobicContact CG-CD1 4.07Å; R135-L139 WeakPolarHBondContact O-CG 3.41Å; R135-L139 PolarHBondContact O-N 3.41Å; D136-L139 PolarHBondContact O-N 2.97Å; L139-G142 PolarHBondContact O-N 2.97Å; L139-C144 WeakPolarHBondContact CD2-O 3.35Å; L139-R146 HydrophobicContact CD2-CB 4.31Å |
| 140 | K | 83.8 | Confident | 74.5 | Confident | 180 Ų | 180 | 76.8 Ų | 76.8 | 78% | 0.783 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -65.1 | -41 | -179.9 | -175.5 | -179.3 | 179.1 | -177.1 | 0 | 112.6 | D136 G142 | D136-K140 VanDerWaalsContact O-CB 3.25Å; D136-K140 WeakPolarHBondContact O-CB 3.44Å; D136-K140 PolarHBondContact O-N 2.85Å; K140-G142 PolarHBondContact O-N 3.09Å |
| 141 | D | 82.6 | Confident | 72.7 | Confident | 65 Ų | 65 | 77 Ų | 77 | 35% | 0.348 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 9.2 | -176.8 | -65.8 | 19.8 | 0 | 0 | 0 | 112.3 | R118 Y122 K137 V143 | R118-D141 IonicContact CZ-OD2 3.65Å; R118-D141 IonicContact NH2-OD2 2.69Å; R118-D141 PolarHBondContact NH2-OD2 3.01Å; Y122-D141 WeakPolarHBondContact OH-CB 3.3Å; Y122-D141 VanDerWaalsContact OH-CG 3.32Å; Y122-D141 PolarHBondContact OH-OD2 3.46Å; K137-D141 WeakPolarHBondContact O-CB 3.4Å; K137-D141 PolarHBondContact O-N 2.96Å; K137-D141 VanDerWaalsContact O-N 3.14Å; D141-V143 HydrophobicContact CB-CG2 4.18Å; D141-V143 PolarHBondContact O-N 2.62Å |
| 142 | G | 76.9 | Confident | 71.2 | Confident | 61 Ų | 61 | 78 Ų | 78 | 63% | 0.629 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 10.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L139 K140 C144 | L139-G142 PolarHBondContact O-N 2.97Å; K140-G142 PolarHBondContact O-N 3.09Å; G142-C144 VanDerWaalsContact C-N 3.31Å |
| 143 | V | 74.1 | Confident | 70 | Confident | 43 Ų | 43 | 75.5 Ų | 75.5 | 26% | 0.261 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -80.6 | -14.3 | -175.7 | -172.9 | 0 | 0 | 0 | 0 | 111.9 | V115 R118 L138 D141 | V115-V143 HydrophobicContact CG2-CG1 4.13Å; R118-V143 HydrophobicContact CB-CG1 4.31Å; R118-V143 HydrophobicContact CG-CG1 4.31Å; R118-V143 HydrophobicContact CG-CG2 4.25Å; L138-V143 HydrophobicContact CD2-CB 4.05Å; L138-V143 HydrophobicContact CD2-CG1 3.95Å; L138-V143 PolarHBondContact O-N 2.97Å; D141-V143 HydrophobicContact CB-CG2 4.18Å; D141-V143 PolarHBondContact O-N 2.62Å |
| 144 | C | 70.8 | Confident | 68.5 | Low | 13 Ų | 13 | 73 Ų | 73 | 9% | 0.088 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -142.8 | 130.9 | 172.4 | -71.8 | 0 | 0 | 0 | 0 | 110.5 | L138 L139 G142 | L138-C144 PolarHBondContact O-N 3.31Å; L139-C144 WeakPolarHBondContact CD2-O 3.35Å; G142-C144 VanDerWaalsContact C-N 3.31Å |
| 145 | D | 71.1 | Confident | 67.3 | Low | 105 Ų | 105 | 73 Ų | 73 | 56% | 0.561 | 41% | 0.409 | S | S | * | . | trans | -78.5 | 142.9 | 176.3 | -79.5 | -56.2 | 0 | 0 | 0 | 112.6 | S147 T148 | D145-S147 PolarHBondContact O-N 3.3Å; D145-T148 HydrophobicContact CB-CG2 4.16Å; D145-T148 PolarHBondContact N-OG1 2.8Å; D145-T148 PolarHBondContact O-N 2.97Å; D145-T148 VanDerWaalsContact O-N 3.08Å; D145-T148 PolarHBondContact O-OG1 3.21Å | ||
| 146 | R | 63.8 | Low | 66.7 | Low | 232 Ų | 232 | 70 Ų | 70 | 88% | 0.875 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -21.1 | 177.7 | -164.7 | 171.7 | -175.3 | 148.2 | 0.6 | 113.5 | L139 | L139-R146 HydrophobicContact CD2-CB 4.31Š|
| 147 | S | 55.1 | Low | 66.3 | Low | 104 Ų | 104 | 69.1 Ų | 69.1 | 73% | 0.727 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -28.2 | 174.6 | 51.9 | 0 | 0 | 0 | 0 | 113.2 | D145 V149 | D145-S147 PolarHBondContact O-N 3.3Å; S147-V149 PolarHBondContact O-N 2.9Å |
| 148 | T | 53.6 | Low | 66 | Low | 72 Ų | 72 | 69.7 Ų | 69.7 | 44% | 0.442 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -79.6 | 33.5 | 178.9 | 55 | 0 | 0 | 0 | 0 | 113.8 | D145 P150 E153 | D145-T148 HydrophobicContact CB-CG2 4.16Å; D145-T148 PolarHBondContact N-OG1 2.8Å; D145-T148 PolarHBondContact O-N 2.97Å; D145-T148 VanDerWaalsContact O-N 3.08Å; D145-T148 PolarHBondContact O-OG1 3.21Å; T148-P150 VanDerWaalsContact C-CD 3.41Å; T148-E153 WeakPolarHBondContact O-CB 3.43Å |
| 149 | V | 50.1 | Low | 65.5 | Low | 43 Ų | 43 | 70.1 Ų | 70.1 | 26% | 0.261 | 41% | 0.41 | S | S | . | . | trans | -125.2 | 62.7 | -177.9 | -158.5 | 0 | 0 | 0 | 0 | 114.2 | S147 | S147-V149 PolarHBondContact O-N 2.9Š| ||
| 150 | P | 42 | Very low | 65.4 | Low | 81 Ų | 81 | 67.7 Ų | 67.7 | 53% | 0.526 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -61.1 | 160.3 | 144.8 | -11.4 | 26.9 | 0 | 0 | 0 | 110.6 | T148 G152 E153 | T148-P150 VanDerWaalsContact C-CD 3.41Å; P150-G152 PolarHBondContact O-N 2.76Å; P150-E153 HydrophobicContact CG-CG 4.41Å; P150-E153 PolarHBondContact O-N 2.75Å |
| 151 | S | 46.2 | Very low | 65.3 | Low | 131 Ų | 131 | 60.2 Ų | 60.2 | 92% | 0.916 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 21.5 | -177.1 | -48.1 | 0 | 0 | 0 | 0 | 116.1 | ||
| 152 | G | 52 | Low | 65.1 | Low | 43 Ų | 43 | 63.9 Ų | 63.9 | 44% | 0.443 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.3 | 1.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | V110 P150 | V110-G152 VanDerWaalsContact CG1-O 3.27Å; V110-G152 WeakPolarHBondContact CG1-O 3.16Å; P150-G152 PolarHBondContact O-N 2.76Å |
| 153 | E | 57 | Low | 65.3 | Low | 88 Ų | 88 | 61.8 Ų | 61.8 | 41% | 0.411 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -98.7 | 175.3 | -170.7 | -68.5 | -56.6 | 150.5 | 0 | 0 | 115.3 | T148 P150 S155 S156 S159 | T148-E153 WeakPolarHBondContact O-CB 3.43Å; P150-E153 HydrophobicContact CG-CG 4.41Å; P150-E153 PolarHBondContact O-N 2.75Å; E153-S155 VanDerWaalsContact C-N 3.33Å; E153-S155 PolarHBondContact O-N 3.32Å; E153-S156 PolarHBondContact O-N 3.38Å; E153-S159 PolarHBondContact O-OG 3.34Å |
| 154 | A | 57.2 | Low | 65.7 | Low | 12 Ų | 12 | 60.6 Ų | 60.6 | 10% | 0.099 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46.6 | -49.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | V110 A111 V115 S156 S159 | V110-A154 WeakPolarHBondContact O-CA 3.48Å; V110-A154 WeakPolarHBondContact O-CB 3.42Å; V110-A154 PolarHBondContact O-N 3.04Å; A111-A154 HydrophobicContact CB-CB 4.13Å; V115-A154 HydrophobicContact CB-CB 4.39Å; V115-A154 HydrophobicContact CG1-CB 3.98Å; V115-A154 HydrophobicContact CG2-CB 4.42Å; A154-S156 VanDerWaalsContact C-N 3.28Å; A154-S156 PolarHBondContact O-N 3.29Å; A154-S159 WeakPolarHBondContact O-CB 3.45Å |
| 155 | S | 58.7 | Low | 66.2 | Low | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.014 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 3.5 | -170.6 | 57.9 | 0 | 0 | 0 | 0 | 113.7 | R135 E153 | R135-S155 WeakPolarHBondContact CD-O 3.42Å; R135-S155 VanDerWaalsContact CG-O 3.3Å; R135-S155 WeakPolarHBondContact CG-O 3.45Å; R135-S155 PolarHBondContact NE-O 3.18Å; E153-S155 VanDerWaalsContact C-N 3.33Å; E153-S155 PolarHBondContact O-N 3.32Å |
| 156 | S | 71.6 | Confident | 66.5 | Low | 16 Ų | 16 | 66.3 Ų | 66.3 | 11% | 0.112 | 37% | 0.373 | C | S | . | . | trans | -65.2 | 139.3 | 174.6 | 99.8 | 0 | 0 | 0 | 0 | 110.1 | E153 A154 S158 S159 I160 | E153-S156 PolarHBondContact O-N 3.38Å; A154-S156 VanDerWaalsContact C-N 3.28Å; A154-S156 PolarHBondContact O-N 3.29Å; S156-S158 PolarHBondContact O-N 3.03Å; S156-S158 VanDerWaalsContact O-N 3.07Å; S156-S158 PolarHBondContact OG-N 3.05Å; S156-S159 WeakPolarHBondContact O-CA 3.17Å; S156-S159 WeakPolarHBondContact O-CB 3.31Å; S156-S159 PolarHBondContact O-N 2.82Å; S156-S159 WeakPolarHBondContact OG-CB 3.3Å; S156-S159 PolarHBondContact OG-N 3.19Å; S156-S159 PolarHBondContact OG-OG 3.48Å; S156-I160 PolarHBondContact O-N 2.9Å | ||
| 157 | V | 75.4 | Confident | 66.9 | Low | 58 Ų | 58 | 62.8 Ų | 62.8 | 35% | 0.352 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57.5 | -28.3 | 178.5 | -175.1 | 0 | 0 | 0 | 0 | 111.3 | W132 S161 | W132-V157 HydrophobicContact CB-CG2 4.42Å; V157-S161 VanDerWaalsContact O-CB 3.25Å; V157-S161 WeakPolarHBondContact O-CB 3.38Å; V157-S161 PolarHBondContact O-N 3.48Å; V157-S161 PolarHBondContact O-OG 2.61Å |
| 158 | S | 76.1 | Confident | 67.7 | Low | 64 Ų | 64 | 61.1 Ų | 61.1 | 45% | 0.448 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -74.8 | -32.6 | 174.1 | -176 | 0 | 0 | 0 | 0 | 113.5 | S156 R162 | S156-S158 PolarHBondContact O-N 3.03Å; S156-S158 VanDerWaalsContact O-N 3.07Å; S156-S158 PolarHBondContact OG-N 3.05Å; S158-R162 WeakPolarHBondContact O-CG 3.49Å; S158-R162 PolarHBondContact O-N 2.77Å; S158-R162 PolarHBondContact O-NE 3.28Å; S158-R162 PolarHBondContact OG-NH2 3.16Å |
| 159 | S | 75.3 | Confident | 68 | Low | 9 Ų | 9 | 59.9 Ų | 59.9 | 6% | 0.063 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -70.2 | -51.7 | 172.8 | -56.2 | 0 | 0 | 0 | 0 | 109.8 | E153 A154 S156 S161 R162 V163 | E153-S159 PolarHBondContact O-OG 3.34Å; A154-S159 WeakPolarHBondContact O-CB 3.45Å; S156-S159 WeakPolarHBondContact O-CA 3.17Å; S156-S159 WeakPolarHBondContact O-CB 3.31Å; S156-S159 PolarHBondContact O-N 2.82Å; S156-S159 WeakPolarHBondContact OG-CB 3.3Å; S156-S159 PolarHBondContact OG-N 3.19Å; S156-S159 PolarHBondContact OG-OG 3.48Å; S159-S161 PolarHBondContact O-N 3.24Å; S159-R162 WeakPolarHBondContact O-CA 3.49Å; S159-R162 WeakPolarHBondContact O-CB 3.47Å; S159-R162 PolarHBondContact O-N 3.35Å; S159-V163 PolarHBondContact O-N 3.29Å |
| 160 | I | 79.6 | Confident | 68.3 | Low | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -55.9 | -48.9 | 176.6 | -64.9 | 163.8 | 0 | 0 | 0 | 110.5 | I119 I134 R135 L138 S156 R162 V163 L164 | I119-I160 HydrophobicContact CD1-CB 4.47Å; I119-I160 HydrophobicContact CD1-CG1 3.84Å; I119-I160 HydrophobicContact CG1-CG1 4.35Å; I119-I160 HydrophobicContact CG2-CG2 4.24Å; I134-I160 HydrophobicContact CB-CG2 4.19Å; I134-I160 HydrophobicContact CD1-CG2 4.45Å; I134-I160 HydrophobicContact CG2-CD1 4.33Å; I134-I160 HydrophobicContact CG2-CG2 3.78Å; R135-I160 HydrophobicContact CB-CD1 3.64Å; R135-I160 HydrophobicContact CG-CD1 4.39Å; L138-I160 HydrophobicContact CD1-CD1 4.21Å; S156-I160 PolarHBondContact O-N 2.9Å; I160-R162 PolarHBondContact O-N 3.11Å; I160-R162 VanDerWaalsContact O-N 3.17Å; I160-V163 PolarHBondContact O-N 3.01Å; I160-V163 VanDerWaalsContact O-N 3.12Å; I160-L164 HydrophobicContact CG2-CD1 3.96Å; I160-L164 HydrophobicContact CG2-CG 4.25Å; I160-L164 WeakPolarHBondContact O-CG 3.47Å; I160-L164 PolarHBondContact O-N 2.91Å |
| 161 | S | 82.1 | Confident | 68.7 | Low | 23 Ų | 23 | 68.5 Ų | 68.5 | 16% | 0.161 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64 | -21.7 | 178.2 | -56.2 | 0 | 0 | 0 | 0 | 114 | S131 V157 S159 R165 | S131-S161 VanDerWaalsContact CB-OG 3.25Å; S131-S161 WeakPolarHBondContact CB-OG 3.39Å; S131-S161 PolarHBondContact OG-OG 3.31Å; V157-S161 VanDerWaalsContact O-CB 3.25Å; V157-S161 WeakPolarHBondContact O-CB 3.38Å; V157-S161 PolarHBondContact O-N 3.48Å; V157-S161 PolarHBondContact O-OG 2.61Å; S159-S161 PolarHBondContact O-N 3.24Å; S161-R165 WeakPolarHBondContact O-CG 3.42Å; S161-R165 VanDerWaalsContact O-CZ 3.25Å; S161-R165 PolarHBondContact O-N 3.49Å; S161-R165 PolarHBondContact O-NH1 3.23Å |
| 162 | R | 79.1 | Confident | 68.9 | Low | 142 Ų | 142 | 68.7 Ų | 68.7 | 54% | 0.536 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -78.3 | -43.7 | 171.9 | -83.8 | 174.3 | -91.3 | 174.9 | -9 | 111.5 | S158 S159 I160 R165 A166 | S158-R162 WeakPolarHBondContact O-CG 3.49Å; S158-R162 PolarHBondContact O-N 2.77Å; S158-R162 PolarHBondContact O-NE 3.28Å; S158-R162 PolarHBondContact OG-NH2 3.16Å; S159-R162 WeakPolarHBondContact O-CA 3.49Å; S159-R162 WeakPolarHBondContact O-CB 3.47Å; S159-R162 PolarHBondContact O-N 3.35Å; I160-R162 PolarHBondContact O-N 3.11Å; I160-R162 VanDerWaalsContact O-N 3.17Å; R162-R165 PolarHBondContact O-N 2.92Å; R162-A166 WeakPolarHBondContact O-CB 3.41Å; R162-A166 PolarHBondContact O-N 3.14Å |
| 163 | V | 81.6 | Confident | 68.8 | Low | 17 Ų | 17 | 73.9 Ų | 73.9 | 10% | 0.103 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.9 | -48.6 | 173.4 | 176.2 | 0 | 0 | 0 | 0 | 110.3 | E116 I119 S159 I160 R165 A166 R167 | E116-V163 HydrophobicContact CG-CG2 4.32Å; I119-V163 HydrophobicContact CB-CG1 4.49Å; I119-V163 HydrophobicContact CD1-CG2 4.48Å; I119-V163 HydrophobicContact CG2-CB 4.46Å; I119-V163 HydrophobicContact CG2-CG1 4Å; S159-V163 PolarHBondContact O-N 3.29Å; I160-V163 PolarHBondContact O-N 3.01Å; I160-V163 VanDerWaalsContact O-N 3.12Å; V163-R165 PolarHBondContact O-N 3.37Å; V163-A166 PolarHBondContact O-N 3.13Å; V163-A166 VanDerWaalsContact O-N 3.16Å; V163-R167 HydrophobicContact CG1-CG 4.46Å; V163-R167 VanDerWaalsContact O-CG 3.3Å; V163-R167 WeakPolarHBondContact O-CG 3.27Å; V163-R167 PolarHBondContact O-N 3.49Å |
| 164 | L | 81.7 | Confident | 68.6 | Low | 17 Ų | 17 | 77.1 Ų | 77.1 | 9% | 0.089 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -57.7 | -49.2 | 178.8 | -68.8 | 176.6 | 0 | 0 | 0 | 112.6 | I119 K123 S131 I134 I160 A166 R167 F168 G169 | I119-L164 HydrophobicContact CG2-CD2 3.88Å; I119-L164 HydrophobicContact CG2-CG 4.27Å; K123-L164 HydrophobicContact CB-CD2 3.86Å; K123-L164 HydrophobicContact CD-CD2 4.11Å; K123-L164 HydrophobicContact CG-CD2 3.73Å; S131-L164 WeakPolarHBondContact OG-CD1 3.45Å; I134-L164 HydrophobicContact CD1-CD1 3.98Å; I134-L164 HydrophobicContact CD1-CD2 4.11Å; I160-L164 HydrophobicContact CG2-CD1 3.96Å; I160-L164 HydrophobicContact CG2-CG 4.25Å; I160-L164 WeakPolarHBondContact O-CG 3.47Å; I160-L164 PolarHBondContact O-N 2.91Å; L164-A166 VanDerWaalsContact C-N 3.32Å; L164-A166 PolarHBondContact O-N 2.95Å; L164-R167 PolarHBondContact O-N 3.33Å; L164-F168 HydrophobicContact CD2-CD2 4.03Å; L164-F168 HydrophobicContact CD2-CE2 4.14Å; L164-F168 WeakPolarHBondContact O-CB 3.35Å; L164-F168 PolarHBondContact O-N 2.94Å; L164-G169 PolarHBondContact O-N 2.96Å |
| 165 | R | 80.6 | Confident | 68 | Low | 159 Ų | 159 | 82.2 Ų | 82.2 | 60% | 0.6 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64.3 | -34.4 | 176.9 | -75.4 | -170.3 | -61.9 | -90.4 | 1.6 | 113.1 | S161 R162 V163 R167 G169 | S161-R165 WeakPolarHBondContact O-CG 3.42Å; S161-R165 VanDerWaalsContact O-CZ 3.25Å; S161-R165 PolarHBondContact O-N 3.49Å; S161-R165 PolarHBondContact O-NH1 3.23Å; R162-R165 PolarHBondContact O-N 2.92Å; V163-R165 PolarHBondContact O-N 3.37Å; R165-R167 VanDerWaalsContact C-N 3.26Å; R165-R167 PolarHBondContact O-N 2.88Å; R165-G169 PolarHBondContact O-N 3.19Å |
| 166 | A | 76.9 | Confident | 67.4 | Low | 80 Ų | 80 | 89.9 Ų | 89.9 | 66% | 0.661 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -74.1 | -12.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | R162 V163 L164 | R162-A166 WeakPolarHBondContact O-CB 3.41Å; R162-A166 PolarHBondContact O-N 3.14Å; V163-A166 PolarHBondContact O-N 3.13Å; V163-A166 VanDerWaalsContact O-N 3.16Å; L164-A166 VanDerWaalsContact C-N 3.32Å; L164-A166 PolarHBondContact O-N 2.95Å |
| 167 | R | 73.5 | Confident | 65.8 | Low | 158 Ų | 158 | 94.9 Ų | 94.9 | 60% | 0.596 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -125 | -31.1 | -171.8 | -58.1 | -70.6 | -92.8 | 164.2 | 0.8 | 114.1 | E120 V163 L164 R165 | E120-R167 VanDerWaalsContact CD-NH2 3.28Å; E120-R167 IonicContact OE1-CZ 2.72Å; E120-R167 IonicContact OE1-NE 3.35Å; E120-R167 PolarHBondContact OE1-NE 3.15Å; E120-R167 IonicContact OE1-NH2 2.62Å; E120-R167 PolarHBondContact OE1-NH2 3.13Å; E120-R167 IonicContact OE2-CZ 3.78Å; E120-R167 IonicContact OE2-NE 2.78Å; E120-R167 IonicContact OE2-NH2 2.6Å; E120-R167 PolarHBondContact OE2-NH2 2.83Å; V163-R167 HydrophobicContact CG1-CG 4.46Å; V163-R167 VanDerWaalsContact O-CG 3.3Å; V163-R167 WeakPolarHBondContact O-CG 3.27Å; V163-R167 PolarHBondContact O-N 3.49Å; L164-R167 PolarHBondContact O-N 3.33Å; R165-R167 VanDerWaalsContact C-N 3.26Å; R165-R167 PolarHBondContact O-N 2.88Å |
| 168 | F | 71.3 | Confident | 64.5 | Low | 68 Ų | 68 | 99.3 Ų | 99.3 | 30% | 0.298 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114 | -35.6 | -179.9 | -62.4 | -90.4 | 0 | 0 | 0 | 112.9 | E120 K123 L164 K170 K171 | E120-F168 HydrophobicContact CB-CZ 4.48Å; E120-F168 HydrophobicContact CG-CE2 4.21Å; K123-F168 HydrophobicContact CB-CE1 4.35Å; K123-F168 HydrophobicContact CB-CE2 3.91Å; K123-F168 HydrophobicContact CB-CZ 3.78Å; K123-F168 HydrophobicContact CG-CD1 4.24Å; K123-F168 HydrophobicContact CG-CD2 4.12Å; K123-F168 HydrophobicContact CG-CE1 4.04Å; K123-F168 HydrophobicContact CG-CE2 3.92Å; K123-F168 HydrophobicContact CG-CG 4.28Å; K123-F168 HydrophobicContact CG-CZ 3.88Å; L164-F168 HydrophobicContact CD2-CD2 4.03Å; L164-F168 HydrophobicContact CD2-CE2 4.14Å; L164-F168 WeakPolarHBondContact O-CB 3.35Å; L164-F168 PolarHBondContact O-N 2.94Å; F168-K170 PolarHBondContact O-N 3.14Å; F168-K171 PolarHBondContact O-N 2.95Å |
| 169 | G | 60.8 | Low | 63.1 | Low | 47 Ų | 47 | 105.5 Ų | 105.5 | 49% | 0.485 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 41.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L164 R165 | L164-G169 PolarHBondContact O-N 2.96Å; R165-G169 PolarHBondContact O-N 3.19Å |
| 170 | K | 55.4 | Low | 61.4 | Low | 170 Ų | 170 | 114.5 Ų | 114.5 | 74% | 0.739 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.7 | 23.4 | 175.8 | -152.2 | -137.2 | 173.8 | -135.9 | 0 | 112.3 | F168 | F168-K170 PolarHBondContact O-N 3.14Š|
| 171 | K | 51.7 | Low | 59.3 | Low | 134 Ų | 134 | 121.4 Ų | 121.4 | 58% | 0.583 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -130.7 | -0.9 | -178.3 | -146.9 | -165.5 | 177.9 | -81.8 | 0 | 114.2 | F168 D175 | F168-K171 PolarHBondContact O-N 2.95Å; K171-D175 IonicContact NZ-OD2 2.71Å; K171-D175 PolarHBondContact NZ-OD2 3.18Å |
| 172 | D | 48.5 | Very low | 57.4 | Low | 136 Ų | 136 | 129.3 Ų | 129.3 | 73% | 0.727 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -95.4 | 1.7 | -172.9 | -51.6 | -43.4 | 0 | 0 | 0 | 112.8 | ||
| 173 | D | 50 | Low | 55.4 | Low | 152 Ų | 152 | 130.6 Ų | 130.6 | 81% | 0.813 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -109.8 | -5.4 | -174.6 | -62.7 | -70.1 | 0 | 0 | 0 | 114.7 | ||
| 174 | E | 53.3 | Low | 53.1 | Low | 155 Ų | 155 | 132.9 Ų | 132.9 | 72% | 0.724 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -123.2 | -4.6 | -169.9 | -69.9 | -179.7 | 178.5 | 0 | 0 | 115.2 | ||
| 175 | D | 44.4 | Very low | 51.2 | Low | 119 Ų | 119 | 139 Ų | 139 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -110.9 | 5.8 | -170.6 | -81.4 | -42.8 | 0 | 0 | 0 | 115.5 | K171 | K171-D175 IonicContact NZ-OD2 2.71Å; K171-D175 PolarHBondContact NZ-OD2 3.18Å |
| 176 | D | 45.9 | Very low | 49.7 | Very low | 164 Ų | 164 | 139.3 Ų | 139.3 | 88% | 0.877 | 72% | 0.718 | S | S | * | * | trans | -126.7 | 60.7 | -176.2 | -168.7 | 41.2 | 0 | 0 | 0 | 114.6 | ||||
| 177 | C | 38.5 | Very low | 47.9 | Very low | 120 Ų | 120 | 145.4 Ų | 145.4 | 81% | 0.811 | 73% | 0.73 | S | S | * | * | trans | -150.8 | 38.1 | 172.9 | 53.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 178 | D | 48 | Very low | 46.5 | Very low | 151 Ų | 151 | 144.2 Ų | 144.2 | 81% | 0.807 | 74% | 0.741 | S | S | * | * | trans | -124.2 | 69.8 | 172.8 | -161.7 | -6.9 | 0 | 0 | 0 | 112.6 | ||||
| 179 | K | 47.2 | Very low | 45.6 | Very low | 195 Ų | 195 | 149.7 Ų | 149.7 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | trans | 176.4 | 104.4 | 156.5 | -99.8 | 149.4 | -169 | 155.6 | 0 | 112.3 | ||||
| 180 | K | 38.7 | Very low | 45.3 | Very low | 198 Ų | 198 | 156.7 Ų | 156.7 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | 176.3 | 154.1 | 119.7 | -97.9 | 167.1 | -176.8 | 177.7 | 0 | 113 | |||||
| 181 | D | 37.3 | Very low | 44.7 | Very low | 144 Ų | 144 | 153.3 Ų | 153.3 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -89.6 | 166.8 | -163.3 | -41.9 | -98.8 | 0 | 0 | 0 | 114 | ||||
| 182 | E | 41 | Very low | 44.8 | Very low | 189 Ų | 189 | 154 Ų | 154 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | 53.7 | 129.9 | 155.8 | -65.9 | -167.6 | 118.3 | 0 | 0 | 123.1 | ||||
| 183 | D | 36.8 | Very low | 45.1 | Very low | 170 Ų | 170 | 154 Ų | 154 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | trans | 65.3 | 171.6 | 148.7 | -158.4 | 22.3 | 0 | 0 | 0 | 119 | ||||
| 184 | G | 34 | Very low | 45 | Very low | 64 Ų | 64 | 150.1 Ų | 150.1 | 66% | 0.66 | 79% | 0.787 | S | S | * | * | trans | 107.3 | 69.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 185 | E | 41.1 | Very low | 44.8 | Very low | 146 Ų | 146 | 149.5 Ų | 149.5 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | trans | -28.8 | 167.3 | 170.1 | -42.6 | 167.3 | 68 | 0 | 0 | 121 | ||||
| 186 | K | 48.9 | Very low | 45.1 | Very low | 165 Ų | 165 | 152 Ų | 152 | 72% | 0.717 | 80% | 0.799 | S | S | * | * | trans | 71.6 | 86.5 | 156 | -47.6 | -178.6 | -164.6 | 87 | 0 | 118.6 | ||||
| 187 | K | 40 | Very low | 44.9 | Very low | 208 Ų | 208 | 147.1 Ų | 147.1 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | trans | -125.5 | 122.3 | 148.9 | -78 | -177.5 | -179.5 | 166.4 | 0 | 113.3 | ||||
| 188 | T | 44.7 | Very low | 45.1 | Very low | 134 Ų | 134 | 148 Ų | 148 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -6 | 125 | 164.8 | 51.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 189 | K | 52 | Low | 44.7 | Very low | 183 Ų | 183 | 150.5 Ų | 150.5 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -59.5 | 164.6 | 159.3 | -61.9 | 175 | -178.1 | 177.1 | 0 | 110.2 | ||
| 190 | H | 53.9 | Low | 43.9 | Very low | 194 Ų | 194 | 145.5 Ų | 145.5 | 90% | 0.898 | 78% | 0.776 | S | S | * | * | trans | 79.5 | 52.4 | -179.7 | -39.3 | -68.8 | 0 | 0 | 0 | 116.1 | ||||
| 191 | S | 43.8 | Very low | 43.6 | Very low | 99 Ų | 99 | 140.7 Ų | 140.7 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | trans | -96.8 | 150.2 | 150.7 | -171.9 | 0 | 0 | 0 | 0 | 110 | D193 | S191-D193 VanDerWaalsContact C-N 3.29Å; S191-D193 PolarHBondContact O-N 3.41Å | ||
| 192 | I | 53.3 | Low | 43.4 | Very low | 147 Ų | 147 | 144.4 Ų | 144.4 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -73.8 | -13.9 | -166.2 | -165.8 | 162.9 | 0 | 0 | 0 | 114.8 | G194 | I192-G194 VanDerWaalsContact C-N 3.31Å; I192-G194 PolarHBondContact O-N 2.87Å |
| 193 | D | 54.1 | Low | 43.1 | Very low | 137 Ų | 137 | 142 Ų | 142 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -62.7 | -34.6 | -175.2 | -153.4 | 53.5 | 0 | 0 | 0 | 113.1 | S191 I195 L196 | S191-D193 VanDerWaalsContact C-N 3.29Å; S191-D193 PolarHBondContact O-N 3.41Å; D193-I195 PolarHBondContact O-N 3.41Å; D193-L196 PolarHBondContact O-N 2.89Å |
| 194 | G | 48.9 | Very low | 43 | Very low | 71 Ų | 71 | 141.7 Ų | 141.7 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -72.2 | 15.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | I192 | I192-G194 VanDerWaalsContact C-N 3.31Å; I192-G194 PolarHBondContact O-N 2.87Å |
| 195 | I | 49.5 | Very low | 43 | Very low | 142 Ų | 142 | 146.6 Ų | 146.6 | 73% | 0.728 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -108.3 | -18.7 | 179.1 | -65.8 | 179.3 | 0 | 0 | 0 | 112.4 | D193 | D193-I195 PolarHBondContact O-N 3.41Š|
| 196 | L | 48.8 | Very low | 42.9 | Very low | 172 Ų | 172 | 142.5 Ų | 142.5 | 90% | 0.901 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.7 | -2 | -179.6 | -71.5 | 165.7 | 0 | 0 | 0 | 113.7 | D193 D198 | D193-L196 PolarHBondContact O-N 2.89Å; L196-D198 PolarHBondContact O-N 3.33Å |
| 197 | G | 41.8 | Very low | 42.2 | Very low | 60 Ų | 60 | 140.1 Ų | 140.1 | 62% | 0.619 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -87.5 | 100.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 198 | D | 43.8 | Very low | 42.4 | Very low | 139 Ų | 139 | 137.1 Ų | 137.1 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | trans | 61.7 | 122.3 | 153.8 | -145.8 | -60.6 | 0 | 0 | 0 | 121 | L196 C200 | L196-D198 PolarHBondContact O-N 3.33Å; D198-C200 WeakPolarHBondContact OD1-CB 3.31Å; D198-C200 PolarHBondContact OD1-N 2.71Å | ||
| 199 | K | 38.6 | Very low | 42.1 | Very low | 204 Ų | 204 | 137 Ų | 137 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | trans | -146.8 | 77 | 137.8 | -164.2 | 171.4 | -178.6 | 176.2 | 0 | 113 | ||||
| 200 | C | 31.3 | Very low | 41.7 | Very low | 89 Ų | 89 | 134.7 Ų | 134.7 | 60% | 0.601 | 77% | 0.769 | S | S | * | * | trans | 17.5 | 125.5 | 133.7 | -174.9 | 0 | 0 | 0 | 0 | 118.8 | D198 | D198-C200 WeakPolarHBondContact OD1-CB 3.31Å; D198-C200 PolarHBondContact OD1-N 2.71Å | ||
| 201 | S | 32.1 | Very low | 40.9 | Very low | 97 Ų | 97 | 130.7 Ų | 130.7 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | 172.9 | 110.7 | 105.7 | -177.1 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 202 | R | 34 | Very low | 40.7 | Very low | 222 Ų | 222 | 133 Ų | 133 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | 39.4 | 107.3 | 128.7 | -47.5 | 169.2 | 85.5 | 159 | 6.9 | 120.6 | |||||
| 203 | T | 33.8 | Very low | 40.5 | Very low | 138 Ų | 138 | 131 Ų | 131 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | -151.8 | 127.4 | 120.4 | 37.6 | 0 | 0 | 0 | 0 | 104.9 | |||||
| 204 | D | 34.4 | Very low | 39.8 | Very low | 164 Ų | 164 | 130.1 Ų | 130.1 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | cis | 68.9 | 77.1 | 40.9 | -149.4 | -122.2 | 0 | 0 | 0 | 113.4 | ||||
| 205 | D | 33.9 | Very low | 39.4 | Very low | 167 Ų | 167 | 133.7 Ų | 133.7 | 89% | 0.893 | 76% | 0.756 | S | S | * | * | trans | -153.6 | 153.6 | 141.8 | -172.6 | -153.5 | 0 | 0 | 0 | 108 | ||||
| 206 | G | 40.2 | Very low | 39 | Very low | 61 Ų | 61 | 131.2 Ų | 131.2 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | trans | -107.7 | 142.8 | -164.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 207 | S | 33.1 | Very low | 38.6 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | -154.2 | 96.9 | 152.2 | 22.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 208 | D | 45 | Very low | 38.6 | Very low | 145 Ų | 145 | 136.7 Ų | 136.7 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | trans | -64.9 | 129.3 | 163.5 | 170.4 | 25.4 | 0 | 0 | 0 | 110 | D210 | D208-D210 PolarHBondContact OD1-N 2.78Å; D208-D210 VanDerWaalsContact OD1-N 3.12Å | ||
| 209 | V | 37.8 | Very low | 38.6 | Very low | 130 Ų | 130 | 141 Ų | 141 | 79% | 0.788 | 76% | 0.761 | S | S | * | * | trans | -147.7 | 66.8 | 165.3 | -80.2 | 0 | 0 | 0 | 0 | 109.6 | S211 | V209-S211 PolarHBondContact O-N 2.92Š| ||
| 210 | D | 44.7 | Very low | 38.8 | Very low | 135 Ų | 135 | 141.1 Ų | 141.1 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | trans | -55.2 | 124.7 | 161.9 | -176.7 | -114.2 | 0 | 0 | 0 | 110.8 | D208 | D208-D210 PolarHBondContact OD1-N 2.78Å; D208-D210 VanDerWaalsContact OD1-N 3.12Å | ||
| 211 | S | 35.7 | Very low | 39.5 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -168.8 | 56.4 | 174.4 | -80.4 | 0 | 0 | 0 | 0 | 111.6 | V209 | V209-S211 PolarHBondContact O-N 2.92Š| ||
| 212 | E | 41 | Very low | 40.6 | Very low | 146 Ų | 146 | 149.2 Ų | 149.2 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | trans | -64.6 | 144 | 145.7 | -107 | -81 | 121.4 | 0 | 0 | 108 | D214 | E212-D214 PolarHBondContact OE1-N 3.08Å; E212-D214 PolarHBondContact OE2-N 3.06Å | ||
| 213 | P | 47.3 | Very low | 41.9 | Very low | 107 Ų | 107 | 150.1 Ų | 150.1 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | -142.8 | 144.8 | 83.5 | 35.9 | -19.8 | 0 | 0 | 0 | 116 | L215 | P213-L215 PolarHBondContact O-N 2.95Š| |||
| 214 | D | 40.9 | Very low | 43.1 | Very low | 117 Ų | 117 | 148.2 Ų | 148.2 | 63% | 0.626 | 77% | 0.768 | S | S | * | * | trans | -30.9 | 100.2 | 168.9 | -179.5 | 20.1 | 0 | 0 | 0 | 113.5 | E212 P216 | E212-D214 PolarHBondContact OE1-N 3.08Å; E212-D214 PolarHBondContact OE2-N 3.06Å; D214-P216 WeakPolarHBondContact O-CD 3.44Å | ||
| 215 | L | 39.1 | Very low | 45.4 | Very low | 146 Ų | 146 | 150.6 Ų | 150.6 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | trans | -87.7 | 102.6 | 159.8 | -76.1 | 177.4 | 0 | 0 | 0 | 107.8 | P213 L217 | P213-L215 PolarHBondContact O-N 2.95Å; L215-L217 PolarHBondContact O-N 2.82Å | ||
| 216 | P | 41.8 | Very low | 47.8 | Very low | 91 Ų | 91 | 144.8 Ų | 144.8 | 59% | 0.591 | 74% | 0.735 | S | S | * | * | trans | -65.6 | 95.8 | -178.3 | 24.9 | -35.4 | 0 | 0 | 0 | 109.9 | D214 K218 | D214-P216 WeakPolarHBondContact O-CD 3.44Å; P216-K218 VanDerWaalsContact C-N 3.31Å; P216-K218 PolarHBondContact O-N 3.31Å | ||
| 217 | L | 41.2 | Very low | 50.1 | Low | 154 Ų | 154 | 147.7 Ų | 147.7 | 81% | 0.806 | 74% | 0.741 | S | S | * | * | trans | -62.2 | 89.6 | -178.1 | -70.4 | 178.9 | 0 | 0 | 0 | 109.7 | L215 R219 | L215-L217 PolarHBondContact O-N 2.82Å; L217-R219 VanDerWaalsContact C-N 3.32Å; L217-R219 PolarHBondContact O-N 2.85Å | ||
| 218 | K | 41.5 | Very low | 52.9 | Low | 192 Ų | 192 | 145.2 Ų | 145.2 | 84% | 0.835 | 72% | 0.716 | S | S | * | * | trans | -57.9 | 93.4 | 179.2 | -78.9 | -177.8 | 176.9 | 173.6 | 0 | 109.7 | P216 K220 | P216-K218 VanDerWaalsContact C-N 3.31Å; P216-K218 PolarHBondContact O-N 3.31Å; K218-K220 PolarHBondContact O-N 3.35Å | ||
| 219 | R | 42.3 | Very low | 55.3 | Low | 231 Ų | 231 | 141.6 Ų | 141.6 | 87% | 0.872 | 70% | 0.699 | S | S | * | * | trans | -45.9 | 100.1 | 178.7 | -56.2 | 178.9 | -165.9 | 92.7 | 4.5 | 108.7 | L217 Q221 | L217-R219 VanDerWaalsContact C-N 3.32Å; L217-R219 PolarHBondContact O-N 2.85Å; R219-Q221 PolarHBondContact O-N 3.47Å | ||
| 220 | K | 44.4 | Very low | 57.9 | Low | 205 Ų | 205 | 139.4 Ų | 139.4 | 89% | 0.891 | 69% | 0.694 | S | S | * | * | trans | -72.7 | 97.8 | -171.5 | -133.2 | 163.8 | -172.1 | 167.5 | 0 | 107.4 | K218 R222 | K218-K220 PolarHBondContact O-N 3.35Å; K220-R222 PolarHBondContact O-N 3.34Å | ||
| 221 | Q | 44.9 | Very low | 60.3 | Low | 166 Ų | 166 | 140 Ų | 140 | 78% | 0.776 | 69% | 0.693 | S | S | * | * | trans | -51.6 | 106.9 | -166.2 | -176.8 | 67.8 | -10.9 | 0 | 0 | 110.5 | R219 R223 | R219-Q221 PolarHBondContact O-N 3.47Å; Q221-R223 PolarHBondContact O-N 3.33Å | ||
| 222 | R | 54.8 | Low | 63.2 | Low | 191 Ų | 191 | 136.1 Ų | 136.1 | 72% | 0.721 | 66% | 0.662 | S | S | * | * | trans | -56.5 | 114 | -171.8 | 173.2 | 173 | 150 | -110.6 | -4 | 109.2 | K220 S224 | K220-R222 PolarHBondContact O-N 3.34Å; R222-S224 PolarHBondContact O-N 3.21Å; R222-S224 VanDerWaalsContact O-N 3.15Å | ||
| 223 | R | 61.3 | Low | 65.9 | Low | 240 Ų | 240 | 131.9 Ų | 131.9 | 91% | 0.906 | 64% | 0.644 | S | S | * | * | trans | -43.4 | 118.5 | -166.5 | -171.6 | -178.5 | -68.6 | -125.5 | 3.8 | 111.2 | Q221 R225 | Q221-R223 PolarHBondContact O-N 3.33Å; R223-R225 PolarHBondContact O-N 2.78Å | ||
| 224 | S | 60.8 | Low | 68.2 | Low | 99 Ų | 99 | 133.5 Ų | 133.5 | 69% | 0.692 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 130.6 | -168.4 | -57.9 | 0 | 0 | 0 | 0 | 112.3 | R222 T226 | R222-S224 PolarHBondContact O-N 3.21Å; R222-S224 VanDerWaalsContact O-N 3.15Å; S224-T226 PolarHBondContact O-N 2.82Å |
| 225 | R | 82.8 | Confident | 70.9 | Confident | 214 Ų | 214 | 130.1 Ų | 130.1 | 81% | 0.808 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 124.1 | 175.4 | -178.9 | -175.4 | 177.7 | 103.7 | 3.7 | 108.7 | R223 T227 | R223-R225 PolarHBondContact O-N 2.78Å; R225-T227 PolarHBondContact O-N 2.99Å |
| 226 | T | 83.5 | Confident | 73.6 | Confident | 45 Ų | 45 | 123.1 Ų | 123.1 | 28% | 0.276 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -54 | 119.7 | 170.3 | -45.6 | 0 | 0 | 0 | 0 | 110.4 | S224 L260 R264 | S224-T226 PolarHBondContact O-N 2.82Å; T226-L260 HydrophobicContact CG2-CD2 4.18Å; T226-R264 WeakPolarHBondContact OG1-CD 3.35Å |
| 227 | T | 88.3 | Confident | 76.3 | Confident | 122 Ų | 122 | 121.7 Ų | 121.7 | 75% | 0.748 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 126.8 | 166 | 45.8 | 0 | 0 | 0 | 0 | 107.7 | R225 | R225-T227 PolarHBondContact O-N 2.99Š|
| 228 | F | 92.4 | Very high | 78.9 | Confident | 63 Ų | 63 | 120 Ų | 120 | 28% | 0.276 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -83.8 | 143.2 | 177.1 | -55.3 | -98 | 0 | 0 | 0 | 109.3 | Q232 L233 L236 L260 W268 | F228-Q232 VanDerWaalsContact CA-OE1 3.3Å; F228-Q232 HydrophobicContact CB-CB 4.38Å; F228-L233 HydrophobicContact CB-CD1 4.29Å; F228-L233 HydrophobicContact CB-CD2 3.74Å; F228-L233 HydrophobicContact CB-CG 3.73Å; F228-L233 HydrophobicContact CD2-CD2 4.43Å; F228-L233 HydrophobicContact CG-CD2 4.02Å; F228-L236 HydrophobicContact CD1-CD1 4.06Å; F228-L236 HydrophobicContact CE1-CD1 4.11Å; F228-L260 HydrophobicContact CD1-CD1 3.69Å; F228-L260 HydrophobicContact CE1-CD1 3.64Å; F228-W268 HydrophobicContact CE1-CB 4.24Å; F228-W268 AromaticContact CE1-CD1 3.74Å; F228-W268 HydrophobicContact CE1-CG 4.28Å; F228-W268 AromaticContact CE2-CD1 3.96Å; F228-W268 HydrophobicContact CZ-CB 4.06Å; F228-W268 AromaticContact CZ-CD1 3.65Å; F228-W268 HydrophobicContact CZ-CG 4.24Å |
| 229 | T | 94.6 | Very high | 81.6 | Confident | 69 Ų | 69 | 111.4 Ų | 111.4 | 42% | 0.423 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 170.5 | 167.6 | 69.3 | 0 | 0 | 0 | 0 | 110.7 | Q232 L233 | T229-Q232 PolarHBondContact O-N 3.41Å; T229-Q232 WeakPolarHBondContact OG1-CB 3.44Å; T229-Q232 VanDerWaalsContact OG1-CG 3.22Å; T229-Q232 WeakPolarHBondContact OG1-CG 3.36Å; T229-Q232 PolarHBondContact OG1-N 2.98Å; T229-Q232 VanDerWaalsContact OG1-N 3.12Å; T229-L233 WeakPolarHBondContact O-CG 3.41Å; T229-L233 PolarHBondContact O-N 2.76Å; T229-L233 VanDerWaalsContact O-N 3.13Å |
| 230 | A | 93.8 | Very high | 84.2 | Confident | 84 Ų | 84 | 100.6 Ų | 100.6 | 69% | 0.694 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.1 | -51.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q232 L233 E234 | A230-Q232 VanDerWaalsContact C-N 3.33Å; A230-Q232 PolarHBondContact O-N 3.19Å; A230-L233 CarbonylContact O-C 3.5Å; A230-L233 WeakPolarHBondContact O-CA 3.5Å; A230-L233 WeakPolarHBondContact O-CB 3.41Å; A230-L233 PolarHBondContact O-N 2.81Å; A230-E234 PolarHBondContact O-N 3.2Å |
| 231 | E | 94.6 | Very high | 86.7 | Confident | 147 Ų | 147 | 98.1 Ų | 98.1 | 69% | 0.687 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -50.4 | -46.4 | 172.9 | 178.3 | -166.6 | -164.7 | 0 | 0 | 112.8 | L233 E234 E235 | E231-L233 VanDerWaalsContact C-N 3.29Å; E231-L233 PolarHBondContact O-N 3.26Å; E231-E234 PolarHBondContact O-N 3.25Å; E231-E235 PolarHBondContact O-N 3.49Å; E231-E235 VanDerWaalsContact O-N 3.16Å |
| 232 | Q | 95.8 | Very high | 89.1 | Confident | 29 Ų | 29 | 100.9 Ų | 100.9 | 14% | 0.136 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -64 | -32.3 | 176.4 | -75 | 174.7 | -19.7 | 0 | 0 | 112.8 | F228 T229 A230 L236 T258 | F228-Q232 VanDerWaalsContact CA-OE1 3.3Å; F228-Q232 HydrophobicContact CB-CB 4.38Å; T229-Q232 PolarHBondContact O-N 3.41Å; T229-Q232 WeakPolarHBondContact OG1-CB 3.44Å; T229-Q232 VanDerWaalsContact OG1-CG 3.22Å; T229-Q232 WeakPolarHBondContact OG1-CG 3.36Å; T229-Q232 PolarHBondContact OG1-N 2.98Å; T229-Q232 VanDerWaalsContact OG1-N 3.12Å; A230-Q232 VanDerWaalsContact C-N 3.33Å; A230-Q232 PolarHBondContact O-N 3.19Å; Q232-L236 WeakPolarHBondContact O-CB 3.41Å; Q232-L236 WeakPolarHBondContact O-CD1 3.49Å; Q232-L236 WeakPolarHBondContact O-CG 3.49Å; Q232-L236 PolarHBondContact O-N 3.16Å; Q232-T258 WeakPolarHBondContact CG-O 3.32Å; Q232-T258 PolarHBondContact NE2-O 3.01Å |
| 233 | L | 97.2 | Very high | 91 | Very high | 58 Ų | 58 | 94.2 Ų | 94.2 | 30% | 0.304 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -76.9 | -37.8 | 175.8 | -70.1 | 171 | 0 | 0 | 0 | 111.6 | F228 T229 A230 E231 L236 E237 W268 | F228-L233 HydrophobicContact CB-CD1 4.29Å; F228-L233 HydrophobicContact CB-CD2 3.74Å; F228-L233 HydrophobicContact CB-CG 3.73Å; F228-L233 HydrophobicContact CD2-CD2 4.43Å; F228-L233 HydrophobicContact CG-CD2 4.02Å; T229-L233 WeakPolarHBondContact O-CG 3.41Å; T229-L233 PolarHBondContact O-N 2.76Å; T229-L233 VanDerWaalsContact O-N 3.13Å; A230-L233 CarbonylContact O-C 3.5Å; A230-L233 WeakPolarHBondContact O-CA 3.5Å; A230-L233 WeakPolarHBondContact O-CB 3.41Å; A230-L233 PolarHBondContact O-N 2.81Å; E231-L233 VanDerWaalsContact C-N 3.29Å; E231-L233 PolarHBondContact O-N 3.26Å; L233-L236 PolarHBondContact O-N 3Å; L233-E237 WeakPolarHBondContact O-CB 3.22Å; L233-E237 WeakPolarHBondContact O-CG 3.11Å; L233-E237 PolarHBondContact O-N 3.05Å; L233-W268 VanDerWaalsContact CD2-NE1 3.29Å |
| 234 | E | 96.9 | Very high | 92.7 | Very high | 140 Ų | 140 | 86 Ų | 86 | 65% | 0.654 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -60.1 | -53 | 178.8 | -171.5 | -179.9 | 160.2 | 0 | 0 | 111.7 | A230 E231 L236 E237 K238 | A230-E234 PolarHBondContact O-N 3.2Å; E231-E234 PolarHBondContact O-N 3.25Å; E234-L236 VanDerWaalsContact C-N 3.29Å; E234-L236 PolarHBondContact O-N 2.88Å; E234-E237 PolarHBondContact O-N 3.05Å; E234-E237 VanDerWaalsContact O-N 3.16Å; E234-K238 VanDerWaalsContact O-CB 3.24Å; E234-K238 WeakPolarHBondContact O-CB 3.47Å; E234-K238 PolarHBondContact O-N 2.85Å |
| 235 | E | 96.6 | Very high | 94.4 | Very high | 46 Ų | 46 | 88.7 Ų | 88.7 | 22% | 0.215 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.8 | -32.3 | 178.4 | -175.4 | 68.7 | 176.8 | 0 | 0 | 112 | E231 K238 A239 L254 R257 T258 | E231-E235 PolarHBondContact O-N 3.49Å; E231-E235 VanDerWaalsContact O-N 3.16Å; E235-K238 IonicContact OE2-NZ 2.88Å; E235-K238 PolarHBondContact OE2-NZ 2.89Å; E235-A239 VanDerWaalsContact O-CB 3.25Å; E235-A239 WeakPolarHBondContact O-CB 3.24Å; E235-A239 PolarHBondContact O-N 3.44Å; E235-L254 HydrophobicContact CG-CD2 4.13Å; E235-R257 WeakPolarHBondContact OE1-CD 3.46Å; E235-T258 HydrophobicContact CB-CG2 4.45Å |
| 236 | L | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -71.7 | -34.4 | 173.8 | -72.8 | 172.9 | 0 | 0 | 0 | 113.1 | F228 Q232 L233 E234 F240 L254 T258 L260 V265 W268 F269 | F228-L236 HydrophobicContact CD1-CD1 4.06Å; F228-L236 HydrophobicContact CE1-CD1 4.11Å; Q232-L236 WeakPolarHBondContact O-CB 3.41Å; Q232-L236 WeakPolarHBondContact O-CD1 3.49Å; Q232-L236 WeakPolarHBondContact O-CG 3.49Å; Q232-L236 PolarHBondContact O-N 3.16Å; L233-L236 PolarHBondContact O-N 3Å; E234-L236 VanDerWaalsContact C-N 3.29Å; E234-L236 PolarHBondContact O-N 2.88Å; L236-F240 WeakPolarHBondContact O-CB 3.47Å; L236-F240 PolarHBondContact O-N 2.83Å; L236-L254 HydrophobicContact CD2-CB 4.45Å; L236-T258 HydrophobicContact CD2-CG2 4.43Å; L236-T258 HydrophobicContact CG-CG2 4.14Å; L236-L260 HydrophobicContact CD1-CD1 4.46Å; L236-V265 HydrophobicContact CD2-CG1 3.94Å; L236-V265 HydrophobicContact CD2-CG2 4.34Å; L236-W268 HydrophobicContact CB-CD2 4.06Å; L236-W268 HydrophobicContact CB-CE3 4.01Å; L236-W268 HydrophobicContact CB-CH2 3.82Å; L236-W268 HydrophobicContact CB-CZ2 3.83Å; L236-W268 HydrophobicContact CB-CZ3 3.9Å; L236-W268 HydrophobicContact CD1-CB 4.47Å; L236-W268 HydrophobicContact CD1-CD2 3.91Å; L236-W268 HydrophobicContact CD1-CE3 4.42Å; L236-W268 HydrophobicContact CD1-CG 3.87Å; L236-W268 HydrophobicContact CD2-CE3 4.39Å; L236-W268 HydrophobicContact CG-CD2 4.43Å; L236-W268 WeakPolarHBondContact O-CH2 3.29Å; L236-W268 WeakPolarHBondContact O-CZ3 3.35Å; L236-F269 HydrophobicContact CD2-CE2 3.87Å |
| 237 | E | 97.2 | Very high | 95.8 | Very high | 61 Ų | 61 | 80 Ų | 80 | 29% | 0.285 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -78.5 | -41.1 | 178.7 | -69.6 | -168.6 | -174.7 | 0 | 0 | 111.8 | L233 E234 A239 F240 E241 W268 R272 | L233-E237 WeakPolarHBondContact O-CB 3.22Å; L233-E237 WeakPolarHBondContact O-CG 3.11Å; L233-E237 PolarHBondContact O-N 3.05Å; E234-E237 PolarHBondContact O-N 3.05Å; E234-E237 VanDerWaalsContact O-N 3.16Å; E237-A239 VanDerWaalsContact C-N 3.29Å; E237-A239 PolarHBondContact O-N 3.48Å; E237-F240 WeakPolarHBondContact O-CA 3.34Å; E237-F240 VanDerWaalsContact O-CB 3.32Å; E237-F240 WeakPolarHBondContact O-CB 3.44Å; E237-F240 PolarHBondContact O-N 2.67Å; E237-E241 WeakPolarHBondContact O-CG 3.43Å; E237-E241 PolarHBondContact O-N 3.06Å; E237-W268 HydrophobicContact CG-CH2 3.59Å; E237-W268 HydrophobicContact CG-CZ2 3.47Å; E237-W268 VanDerWaalsContact CG-CZ2 3.47Å; E237-R272 IonicContact OE1-CZ 3.1Å; E237-R272 IonicContact OE1-NE 2.83Å; E237-R272 IonicContact OE1-NH1 3.05Å; E237-R272 PolarHBondContact OE1-NH1 3.26Å; E237-R272 IonicContact OE1-NH2 2.71Å; E237-R272 IonicContact OE2-CZ 3.99Å; E237-R272 IonicContact OE2-NH1 2.62Å; E237-R272 PolarHBondContact OE2-NH1 3.01Å; E237-R272 IonicContact OE2-NH2 2.69Å; E237-R272 PolarHBondContact OE2-NH2 3.27Å |
| 238 | K | 96.9 | Very high | 96.2 | Very high | 117 Ų | 117 | 77.4 Ų | 77.4 | 51% | 0.509 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -56.6 | -38.9 | 168 | 176 | 178.9 | 162.3 | -153.3 | 0 | 112.8 | E234 E235 R242 | E234-K238 VanDerWaalsContact O-CB 3.24Å; E234-K238 WeakPolarHBondContact O-CB 3.47Å; E234-K238 PolarHBondContact O-N 2.85Å; E235-K238 IonicContact OE2-NZ 2.88Å; E235-K238 PolarHBondContact OE2-NZ 2.89Å; K238-R242 PolarHBondContact O-N 2.62Å |
| 239 | A | 96.6 | Very high | 96.4 | Very high | 13 Ų | 13 | 82.5 Ų | 82.5 | 11% | 0.107 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -72.6 | -32.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E235 E237 E241 R242 T243 L254 F269 | E235-A239 VanDerWaalsContact O-CB 3.25Å; E235-A239 WeakPolarHBondContact O-CB 3.24Å; E235-A239 PolarHBondContact O-N 3.44Å; E237-A239 VanDerWaalsContact C-N 3.29Å; E237-A239 PolarHBondContact O-N 3.48Å; A239-E241 VanDerWaalsContact C-N 3.34Å; A239-R242 PolarHBondContact O-N 3.16Å; A239-T243 PolarHBondContact O-N 3.46Å; A239-L254 HydrophobicContact CB-CD1 3.63Å; A239-L254 HydrophobicContact CB-CD2 3.68Å; A239-L254 HydrophobicContact CB-CG 4.29Å; A239-F269 HydrophobicContact CB-CZ 4.1Å |
| 240 | F | 97.4 | Very high | 96.5 | Very high | 4 Ų | 4 | 81.6 Ų | 81.6 | 2% | 0.018 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.3 | -34.2 | 175.3 | -173.6 | -96.9 | 0 | 0 | 0 | 112.7 | L236 E237 T243 H244 W268 F269 R272 R273 W276 | L236-F240 WeakPolarHBondContact O-CB 3.47Å; L236-F240 PolarHBondContact O-N 2.83Å; E237-F240 WeakPolarHBondContact O-CA 3.34Å; E237-F240 VanDerWaalsContact O-CB 3.32Å; E237-F240 WeakPolarHBondContact O-CB 3.44Å; E237-F240 PolarHBondContact O-N 2.67Å; F240-T243 CarbonylContact O-C 3.17Å; F240-T243 PolarHBondContact O-N 3.06Å; F240-H244 AromaticContact CD1-CD2 3.61Å; F240-H244 AromaticContact CE1-CD2 3.21Å; F240-H244 WeakPolarHBondContact CE1-CD2 3.45Å; F240-H244 AromaticContact CE1-NE2 3.55Å; F240-H244 HydrophobicContact CE2-CB 4.32Å; F240-H244 AromaticContact CE2-CD2 3.77Å; F240-H244 HydrophobicContact CZ-CB 4.45Å; F240-H244 AromaticContact CZ-CD2 3.29Å; F240-H244 WeakPolarHBondContact CZ-CD2 3.48Å; F240-H244 AromaticContact CZ-NE2 3.98Å; F240-H244 PolarHBondContact O-CD2 2.72Å; F240-H244 VanDerWaalsContact O-CD2 3.23Å; F240-H244 PolarHBondContact O-N 2.84Å; F240-W268 HydrophobicContact CB-CH2 4.1Å; F240-W268 HydrophobicContact CB-CZ3 4.1Å; F240-W268 HydrophobicContact CD2-CZ3 4.18Å; F240-W268 HydrophobicContact CG-CH2 4.46Å; F240-W268 HydrophobicContact CG-CZ3 4.42Å; F240-F269 HydrophobicContact CB-CE1 3.99Å; F240-F269 HydrophobicContact CB-CZ 4.39Å; F240-F269 AromaticContact CD2-CD1 3.72Å; F240-F269 HydrophobicContact CD2-CD1 3.72Å; F240-F269 AromaticContact CD2-CE1 3.76Å; F240-F269 HydrophobicContact CD2-CE1 3.76Å; F240-F269 HydrophobicContact CE2-CD1 4.43Å; F240-F269 HydrophobicContact CG-CE1 4.37Å; F240-R272 HydrophobicContact CD1-CG 3.8Å; F240-R272 HydrophobicContact CD2-CB 4.05Å; F240-R272 HydrophobicContact CD2-CG 3.51Å; F240-R272 HydrophobicContact CE1-CG 3.69Å; F240-R272 HydrophobicContact CE2-CB 3.81Å; F240-R272 HydrophobicContact CE2-CG 3.4Å; F240-R272 HydrophobicContact CG-CG 3.72Å; F240-R272 HydrophobicContact CZ-CB 4.25Å; F240-R272 HydrophobicContact CZ-CG 3.5Å; F240-R272 VanDerWaalsContact CZ-CG 3.5Å; F240-R273 HydrophobicContact CE2-CG 3.8Å; F240-R273 HydrophobicContact CZ-CG 4.29Å; F240-W276 HydrophobicContact CE1-CD2 4.48Å; F240-W276 HydrophobicContact CZ-CB 4.19Å; F240-W276 HydrophobicContact CZ-CG 4.41Å |
| 241 | E | 96.6 | Very high | 96.7 | Very high | 152 Ų | 152 | 79.6 Ų | 79.6 | 71% | 0.71 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -65.7 | -39.9 | 172.9 | -71.1 | 167.5 | -179.7 | 0 | 0 | 112.2 | E237 A239 | E237-E241 WeakPolarHBondContact O-CG 3.43Å; E237-E241 PolarHBondContact O-N 3.06Å; A239-E241 VanDerWaalsContact C-N 3.34Å |
| 242 | R | 95.9 | Very high | 96.9 | Very high | 224 Ų | 224 | 76.7 Ų | 76.7 | 85% | 0.845 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -67.2 | -41.3 | 172.6 | -71.6 | -177.7 | 65.3 | 88 | -3.3 | 112.6 | K238 A239 | K238-R242 PolarHBondContact O-N 2.62Å; A239-R242 PolarHBondContact O-N 3.16Å |
| 243 | T | 95.2 | Very high | 96.9 | Very high | 52 Ų | 52 | 79.8 Ų | 79.8 | 32% | 0.319 | 36% | 0.363 | S | S | . | . | trans | -155.3 | 128.4 | 172.3 | 176.4 | 0 | 0 | 0 | 0 | 113 | A239 F240 Y245 P246 F269 | A239-T243 PolarHBondContact O-N 3.46Å; F240-T243 CarbonylContact O-C 3.17Å; F240-T243 PolarHBondContact O-N 3.06Å; T243-Y245 PolarHBondContact O-N 2.83Å; T243-Y245 VanDerWaalsContact OG1-C 3.24Å; T243-Y245 PolarHBondContact OG1-N 2.77Å; T243-Y245 PolarHBondContact OG1-O 2.74Å; T243-P246 HydrophobicContact CG2-CB 3.99Å; T243-F269 WeakPolarHBondContact O-CE1 3.29Å | ||
| 244 | H | 96.1 | Very high | 96.9 | Very high | 68 Ų | 68 | 77.2 Ų | 77.2 | 32% | 0.315 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -66.1 | -19.4 | 169.9 | -61.3 | 140.9 | 0 | 0 | 0 | 113 | F240 R273 W276 | F240-H244 AromaticContact CD1-CD2 3.61Å; F240-H244 AromaticContact CE1-CD2 3.21Å; F240-H244 WeakPolarHBondContact CE1-CD2 3.45Å; F240-H244 AromaticContact CE1-NE2 3.55Å; F240-H244 HydrophobicContact CE2-CB 4.32Å; F240-H244 AromaticContact CE2-CD2 3.77Å; F240-H244 HydrophobicContact CZ-CB 4.45Å; F240-H244 AromaticContact CZ-CD2 3.29Å; F240-H244 WeakPolarHBondContact CZ-CD2 3.48Å; F240-H244 AromaticContact CZ-NE2 3.98Å; F240-H244 PolarHBondContact O-CD2 2.72Å; F240-H244 VanDerWaalsContact O-CD2 3.23Å; F240-H244 PolarHBondContact O-N 2.84Å; H244-R273 VanDerWaalsContact O-CD 3.22Å; H244-R273 WeakPolarHBondContact O-CD 3.4Å; H244-R273 WeakPolarHBondContact O-CG 3.27Å; H244-R273 PolarHBondContact O-NH1 2.99Å; H244-W276 AromaticContact CE1-NE1 3.93Å |
| 245 | Y | 97.1 | Very high | 97 | Very high | 155 Ų | 155 | 71 Ų | 71 | 61% | 0.608 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -132.5 | 73.8 | -176.4 | -65.1 | -90.9 | 0 | 0 | 0 | 110.8 | T243 R273 | T243-Y245 PolarHBondContact O-N 2.83Å; T243-Y245 VanDerWaalsContact OG1-C 3.24Å; T243-Y245 PolarHBondContact OG1-N 2.77Å; T243-Y245 PolarHBondContact OG1-O 2.74Å; Y245-R273 VanDerWaalsContact CE1-NE 3.28Å |
| 246 | P | 96.8 | Very high | 97 | Very high | 9 Ų | 9 | 75.9 Ų | 75.9 | 6% | 0.058 | 35% | 0.345 | C | S | . | . | trans | -65.7 | 142.5 | 173.1 | 29.3 | -36.9 | 0 | 0 | 0 | 111.2 | T243 T250 R251 F269 | T243-P246 HydrophobicContact CG2-CB 3.99Å; P246-T250 HydrophobicContact CB-CG2 3.63Å; P246-R251 HydrophobicContact CB-CG 3.88Å; P246-R251 HydrophobicContact CG-CG 3.66Å; P246-R251 PolarHBondContact O-NH1 2.71Å; P246-F269 VanDerWaalsContact CD-CE1 3.46Å; P246-F269 HydrophobicContact CG-CD1 3.56Å; P246-F269 HydrophobicContact CG-CD2 4.07Å; P246-F269 HydrophobicContact CG-CE1 3.5Å; P246-F269 VanDerWaalsContact CG-CE1 3.5Å; P246-F269 HydrophobicContact CG-CE2 4.03Å; P246-F269 HydrophobicContact CG-CG 3.86Å; P246-F269 HydrophobicContact CG-CZ 3.76Å | ||
| 247 | D | 97.6 | Very high | 96.9 | Very high | 67 Ų | 67 | 82.1 Ų | 82.1 | 36% | 0.358 | 37% | 0.368 | S | S | . | . | trans | -73.1 | -170.2 | 177.5 | 84 | -59.4 | 0 | 0 | 0 | 111.8 | Y249 T250 R251 | D247-Y249 WeakPolarHBondContact OD2-CB 3.2Å; D247-Y249 VanDerWaalsContact OD2-CD2 3.22Å; D247-Y249 WeakPolarHBondContact OD2-CD2 3.42Å; D247-Y249 PolarHBondContact OD2-N 3.32Å; D247-T250 WeakPolarHBondContact OD1-CB 3.49Å; D247-T250 PolarHBondContact OD1-N 3.34Å; D247-T250 PolarHBondContact OD1-OG1 2.9Å; D247-R251 WeakPolarHBondContact O-CG 3.25Å; D247-R251 VanDerWaalsContact O-CZ 3.26Å; D247-R251 PolarHBondContact O-N 3.46Å; D247-R251 PolarHBondContact O-NH1 2.94Å | ||
| 248 | I | 97.2 | Very high | 96.8 | Very high | 68 Ų | 68 | 79.6 Ų | 79.6 | 35% | 0.349 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.2 | -48.3 | 178.6 | -174.5 | 60.2 | 0 | 0 | 0 | 111.6 | T250 R251 E252 E262 | I248-T250 PolarHBondContact O-N 2.88Å; I248-R251 PolarHBondContact O-N 3.1Å; I248-R251 VanDerWaalsContact O-N 3.1Å; I248-E252 HydrophobicContact CD1-CG 4.24Å; I248-E252 HydrophobicContact CG1-CG 4.43Å; I248-E252 WeakPolarHBondContact O-CG 3.36Å; I248-E252 PolarHBondContact O-N 3Å; I248-E262 HydrophobicContact CD1-CG 4.03Å |
| 249 | Y | 97.7 | Very high | 96.8 | Very high | 169 Ų | 169 | 82.9 Ų | 82.9 | 66% | 0.663 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -66.8 | -42.2 | -174 | -57 | -63.8 | 0 | 0 | 0 | 111.4 | D247 R251 E252 E253 | D247-Y249 WeakPolarHBondContact OD2-CB 3.2Å; D247-Y249 VanDerWaalsContact OD2-CD2 3.22Å; D247-Y249 WeakPolarHBondContact OD2-CD2 3.42Å; D247-Y249 PolarHBondContact OD2-N 3.32Å; Y249-R251 VanDerWaalsContact C-N 3.29Å; Y249-R251 PolarHBondContact O-N 2.9Å; Y249-E252 PolarHBondContact O-N 3.34Å; Y249-E253 PolarHBondContact O-N 3Å |
| 250 | T | 96.9 | Very high | 96.7 | Very high | 50 Ų | 50 | 83.7 Ų | 83.7 | 31% | 0.307 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.8 | -37.5 | 173.9 | -55.1 | 0 | 0 | 0 | 0 | 111.8 | P246 D247 I248 L254 | P246-T250 HydrophobicContact CB-CG2 3.63Å; D247-T250 WeakPolarHBondContact OD1-CB 3.49Å; D247-T250 PolarHBondContact OD1-N 3.34Å; D247-T250 PolarHBondContact OD1-OG1 2.9Å; I248-T250 PolarHBondContact O-N 2.88Å; T250-L254 HydrophobicContact CG2-CD1 4.06Å; T250-L254 WeakPolarHBondContact O-CB 3.49Å; T250-L254 WeakPolarHBondContact O-CD1 3.32Å; T250-L254 WeakPolarHBondContact O-CG 3.38Å; T250-L254 PolarHBondContact O-N 2.91Å; T250-L254 VanDerWaalsContact O-N 3.08Å |
| 251 | R | 97.6 | Very high | 96.7 | Very high | 42 Ų | 42 | 87.6 Ų | 87.6 | 16% | 0.158 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -73.7 | -29.2 | 177.8 | -67.4 | -175.5 | -36.7 | -94.4 | -4.8 | 112.6 | P246 D247 I248 Y249 A255 E262 V265 | P246-R251 HydrophobicContact CB-CG 3.88Å; P246-R251 HydrophobicContact CG-CG 3.66Å; P246-R251 PolarHBondContact O-NH1 2.71Å; D247-R251 WeakPolarHBondContact O-CG 3.25Å; D247-R251 VanDerWaalsContact O-CZ 3.26Å; D247-R251 PolarHBondContact O-N 3.46Å; D247-R251 PolarHBondContact O-NH1 2.94Å; I248-R251 PolarHBondContact O-N 3.1Å; I248-R251 VanDerWaalsContact O-N 3.1Å; Y249-R251 VanDerWaalsContact C-N 3.29Å; Y249-R251 PolarHBondContact O-N 2.9Å; R251-A255 VanDerWaalsContact O-CB 3.27Å; R251-A255 WeakPolarHBondContact O-CB 3.24Å; R251-A255 PolarHBondContact O-N 3.1Å; R251-E262 HydrophobicContact CB-CG 4.06Å; R251-E262 IonicContact CZ-OE1 3.97Å; R251-E262 IonicContact NE-OE1 2.74Å; R251-E262 PolarHBondContact NE-OE1 2.89Å; R251-E262 IonicContact NH2-OE1 3.15Å; R251-E262 PolarHBondContact NH2-OE1 2.85Å; R251-V265 HydrophobicContact CB-CG1 4.11Å; R251-V265 HydrophobicContact CG-CG1 4.09Å |
| 252 | E | 97.9 | Very high | 96.7 | Very high | 86 Ų | 86 | 82.3 Ų | 82.3 | 40% | 0.402 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -74 | -40.4 | 173.6 | -72.3 | 178.5 | 169.1 | 0 | 0 | 112.3 | I248 Y249 A255 Q256 E262 | I248-E252 HydrophobicContact CD1-CG 4.24Å; I248-E252 HydrophobicContact CG1-CG 4.43Å; I248-E252 WeakPolarHBondContact O-CG 3.36Å; I248-E252 PolarHBondContact O-N 3Å; Y249-E252 PolarHBondContact O-N 3.34Å; E252-A255 WeakPolarHBondContact O-CB 3.2Å; E252-A255 PolarHBondContact O-N 3.01Å; E252-Q256 WeakPolarHBondContact O-CG 3.42Å; E252-Q256 PolarHBondContact O-N 3.36Å; E252-Q256 PolarHBondContact O-NE2 3.09Å; E252-E262 HydrophobicContact CG-CB 4.46Å; E252-E262 HydrophobicContact CG-CG 4.12Å |
| 253 | E | 97.1 | Very high | 96.7 | Very high | 94 Ų | 94 | 73.6 Ų | 73.6 | 44% | 0.439 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.8 | -48.2 | 169.5 | -76 | -150.6 | 137.4 | 0 | 0 | 111.5 | Y249 A255 Q256 R257 | Y249-E253 PolarHBondContact O-N 3Å; E253-A255 VanDerWaalsContact C-N 3.29Å; E253-A255 PolarHBondContact O-N 3.07Å; E253-Q256 WeakPolarHBondContact O-CB 3.37Å; E253-Q256 PolarHBondContact O-N 3.48Å; E253-R257 PolarHBondContact O-N 3.37Å; E253-R257 IonicContact OE1-NH2 2.76Å; E253-R257 PolarHBondContact OE1-NH2 2.95Å; E253-R257 VanDerWaalsContact OE1-NH2 3.1Å; E253-R257 IonicContact OE2-CZ 3.92Å; E253-R257 VanDerWaalsContact OE2-CZ 3.24Å; E253-R257 IonicContact OE2-NH1 2.76Å; E253-R257 PolarHBondContact OE2-NH1 3.43Å; E253-R257 IonicContact OE2-NH2 3.06Å; E253-R257 PolarHBondContact OE2-NH2 3.15Å |
| 254 | L | 97.1 | Very high | 96.7 | Very high | 5 Ų | 5 | 75.9 Ų | 75.9 | 3% | 0.026 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.4 | -35.5 | 179 | -70.5 | 167.9 | 0 | 0 | 0 | 111.8 | E235 L236 A239 T250 Q256 T258 V265 F269 | E235-L254 HydrophobicContact CG-CD2 4.13Å; L236-L254 HydrophobicContact CD2-CB 4.45Å; A239-L254 HydrophobicContact CB-CD1 3.63Å; A239-L254 HydrophobicContact CB-CD2 3.68Å; A239-L254 HydrophobicContact CB-CG 4.29Å; T250-L254 HydrophobicContact CG2-CD1 4.06Å; T250-L254 WeakPolarHBondContact O-CB 3.49Å; T250-L254 WeakPolarHBondContact O-CD1 3.32Å; T250-L254 WeakPolarHBondContact O-CG 3.38Å; T250-L254 PolarHBondContact O-N 2.91Å; T250-L254 VanDerWaalsContact O-N 3.08Å; L254-Q256 VanDerWaalsContact C-N 3.35Å; L254-T258 VanDerWaalsContact O-CB 3.31Å; L254-T258 WeakPolarHBondContact O-CB 3.25Å; L254-T258 WeakPolarHBondContact O-CG2 3.36Å; L254-T258 PolarHBondContact O-N 3.18Å; L254-T258 PolarHBondContact O-OG1 3.06Å; L254-V265 HydrophobicContact CB-CG1 4.1Å; L254-V265 HydrophobicContact CB-CG2 4.47Å; L254-V265 HydrophobicContact CD1-CG1 4.38Å; L254-F269 HydrophobicContact CD1-CE2 3.89Å; L254-F269 HydrophobicContact CD1-CZ 4.04Å |
| 255 | A | 97.5 | Very high | 96.8 | Very high | 8 Ų | 8 | 72.6 Ų | 72.6 | 7% | 0.066 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | R251 E252 E253 K259 L260 V265 | R251-A255 VanDerWaalsContact O-CB 3.27Å; R251-A255 WeakPolarHBondContact O-CB 3.24Å; R251-A255 PolarHBondContact O-N 3.1Å; E252-A255 WeakPolarHBondContact O-CB 3.2Å; E252-A255 PolarHBondContact O-N 3.01Å; E253-A255 VanDerWaalsContact C-N 3.29Å; E253-A255 PolarHBondContact O-N 3.07Å; A255-K259 WeakPolarHBondContact O-CA 3.32Å; A255-K259 PolarHBondContact O-N 3.24Å; A255-L260 CarbonylContact C-O 3.56Å; A255-L260 WeakPolarHBondContact CB-O 3.35Å; A255-L260 PolarHBondContact O-N 2.83Å; A255-L260 VanDerWaalsContact O-O 3.06Å; A255-V265 HydrophobicContact CB-CG2 4.05Å |
| 256 | Q | 97.4 | Very high | 96.8 | Very high | 149 Ų | 149 | 69.8 Ų | 69.8 | 70% | 0.696 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64.2 | -54.1 | 174.8 | -68.4 | 172.8 | 63.4 | 0 | 0 | 111.9 | E252 E253 L254 T258 K259 | E252-Q256 WeakPolarHBondContact O-CG 3.42Å; E252-Q256 PolarHBondContact O-N 3.36Å; E252-Q256 PolarHBondContact O-NE2 3.09Å; E253-Q256 WeakPolarHBondContact O-CB 3.37Å; E253-Q256 PolarHBondContact O-N 3.48Å; L254-Q256 VanDerWaalsContact C-N 3.35Å; Q256-T258 VanDerWaalsContact C-N 3.34Å; Q256-T258 PolarHBondContact O-N 3Å; Q256-K259 PolarHBondContact O-N 3.24Å; Q256-K259 VanDerWaalsContact O-N 3.11Å |
| 257 | R | 95.7 | Very high | 96.8 | Very high | 132 Ų | 132 | 72.3 Ų | 72.3 | 50% | 0.498 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -56.5 | -45.6 | -179.9 | -70.1 | -173.3 | -174.1 | 107 | 15.2 | 112 | E235 E253 K259 | E235-R257 WeakPolarHBondContact OE1-CD 3.46Å; E253-R257 PolarHBondContact O-N 3.37Å; E253-R257 IonicContact OE1-NH2 2.76Å; E253-R257 PolarHBondContact OE1-NH2 2.95Å; E253-R257 VanDerWaalsContact OE1-NH2 3.1Å; E253-R257 IonicContact OE2-CZ 3.92Å; E253-R257 VanDerWaalsContact OE2-CZ 3.24Å; E253-R257 IonicContact OE2-NH1 2.76Å; E253-R257 PolarHBondContact OE2-NH1 3.43Å; E253-R257 IonicContact OE2-NH2 3.06Å; E253-R257 PolarHBondContact OE2-NH2 3.15Å; R257-K259 VanDerWaalsContact C-N 3.34Å; R257-K259 PolarHBondContact O-N 2.91Å |
| 258 | T | 95.4 | Very high | 96.8 | Very high | 7 Ų | 7 | 70.1 Ų | 70.1 | 4% | 0.043 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -81.8 | -6.3 | -179.4 | 62.2 | 0 | 0 | 0 | 0 | 114.4 | Q232 E235 L236 L254 Q256 L260 | Q232-T258 WeakPolarHBondContact CG-O 3.32Å; Q232-T258 PolarHBondContact NE2-O 3.01Å; E235-T258 HydrophobicContact CB-CG2 4.45Å; L236-T258 HydrophobicContact CD2-CG2 4.43Å; L236-T258 HydrophobicContact CG-CG2 4.14Å; L254-T258 VanDerWaalsContact O-CB 3.31Å; L254-T258 WeakPolarHBondContact O-CB 3.25Å; L254-T258 WeakPolarHBondContact O-CG2 3.36Å; L254-T258 PolarHBondContact O-N 3.18Å; L254-T258 PolarHBondContact O-OG1 3.06Å; Q256-T258 VanDerWaalsContact C-N 3.34Å; Q256-T258 PolarHBondContact O-N 3Å; T258-L260 VanDerWaalsContact C-N 3.32Å; T258-L260 PolarHBondContact O-N 2.76Å; T258-L260 WeakPolarHBondContact OG1-CD1 3.47Å; T258-L260 WeakPolarHBondContact OG1-CG 3.43Å |
| 259 | K | 96.5 | Very high | 96.8 | Very high | 186 Ų | 186 | 66.9 Ų | 66.9 | 81% | 0.809 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 43.7 | -173.7 | -57 | 169.4 | -174.6 | 164.6 | 0 | 112.4 | A255 Q256 R257 | A255-K259 WeakPolarHBondContact O-CA 3.32Å; A255-K259 PolarHBondContact O-N 3.24Å; Q256-K259 PolarHBondContact O-N 3.24Å; Q256-K259 VanDerWaalsContact O-N 3.11Å; R257-K259 VanDerWaalsContact C-N 3.34Å; R257-K259 PolarHBondContact O-N 2.91Å |
| 260 | L | 94.6 | Very high | 96.8 | Very high | 30 Ų | 30 | 61.8 Ų | 61.8 | 16% | 0.157 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -119.6 | 173.7 | 177.3 | -61.9 | 178.1 | 0 | 0 | 0 | 110.2 | T226 F228 L236 A255 T258 R264 | T226-L260 HydrophobicContact CG2-CD2 4.18Å; F228-L260 HydrophobicContact CD1-CD1 3.69Å; F228-L260 HydrophobicContact CE1-CD1 3.64Å; L236-L260 HydrophobicContact CD1-CD1 4.46Å; A255-L260 CarbonylContact C-O 3.56Å; A255-L260 WeakPolarHBondContact CB-O 3.35Å; A255-L260 PolarHBondContact O-N 2.83Å; A255-L260 VanDerWaalsContact O-O 3.06Å; T258-L260 VanDerWaalsContact C-N 3.32Å; T258-L260 PolarHBondContact O-N 2.76Å; T258-L260 WeakPolarHBondContact OG1-CD1 3.47Å; T258-L260 WeakPolarHBondContact OG1-CG 3.43Å; L260-R264 HydrophobicContact CB-CB 4.26Å |
| 261 | T | 96.5 | Very high | 96.8 | Very high | 86 Ų | 86 | 64 Ų | 64 | 53% | 0.528 | 31% | 0.313 | S | S | . | . | trans | -89 | 152.4 | 167.2 | 69.2 | 0 | 0 | 0 | 0 | 110.8 | A263 R264 V265 | T261-A263 PolarHBondContact O-N 3.38Å; T261-R264 WeakPolarHBondContact O-CA 3.5Å; T261-R264 WeakPolarHBondContact O-CB 3.46Å; T261-R264 PolarHBondContact O-N 3.34Å; T261-V265 PolarHBondContact O-N 2.82Å | ||
| 262 | E | 96.9 | Very high | 96.7 | Very high | 42 Ų | 42 | 64.8 Ų | 64.8 | 20% | 0.196 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -48.1 | -45.7 | 173.8 | -172.5 | -75.5 | 162.6 | 0 | 0 | 110.8 | I248 R251 E252 R264 V265 Q266 | I248-E262 HydrophobicContact CD1-CG 4.03Å; R251-E262 HydrophobicContact CB-CG 4.06Å; R251-E262 IonicContact CZ-OE1 3.97Å; R251-E262 IonicContact NE-OE1 2.74Å; R251-E262 PolarHBondContact NE-OE1 2.89Å; R251-E262 IonicContact NH2-OE1 3.15Å; R251-E262 PolarHBondContact NH2-OE1 2.85Å; E252-E262 HydrophobicContact CG-CB 4.46Å; E252-E262 HydrophobicContact CG-CG 4.12Å; E262-R264 PolarHBondContact O-N 2.84Å; E262-V265 CarbonylContact O-C 3.59Å; E262-V265 WeakPolarHBondContact O-CA 3.21Å; E262-V265 WeakPolarHBondContact O-CB 3.27Å; E262-V265 PolarHBondContact O-N 3.1Å; E262-Q266 WeakPolarHBondContact O-CB 3.22Å; E262-Q266 PolarHBondContact O-N 3.22Å |
| 263 | A | 95.9 | Very high | 96.6 | Very high | 41 Ų | 41 | 63.1 Ų | 63.1 | 34% | 0.339 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69.6 | -2.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | T261 V267 | T261-A263 PolarHBondContact O-N 3.38Å; A263-V267 VanDerWaalsContact O-CG2 3.24Å; A263-V267 WeakPolarHBondContact O-CG2 3.29Å |
| 264 | R | 96.2 | Very high | 96.4 | Very high | 99 Ų | 99 | 60.4 Ų | 60.4 | 37% | 0.374 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -91.3 | -43.9 | 161.4 | -63.5 | -59 | 78 | 146 | 5.1 | 110.8 | T226 L260 T261 E262 V267 W268 | T226-R264 WeakPolarHBondContact OG1-CD 3.35Å; L260-R264 HydrophobicContact CB-CB 4.26Å; T261-R264 WeakPolarHBondContact O-CA 3.5Å; T261-R264 WeakPolarHBondContact O-CB 3.46Å; T261-R264 PolarHBondContact O-N 3.34Å; E262-R264 PolarHBondContact O-N 2.84Å; R264-V267 PolarHBondContact O-N 3.31Å; R264-W268 WeakPolarHBondContact O-CB 3.41Å; R264-W268 PolarHBondContact O-N 2.76Å |
| 265 | V | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.2 | -51.9 | 175.6 | 180 | 0 | 0 | 0 | 0 | 110.4 | L236 R251 L254 A255 T261 E262 V267 W268 F269 | L236-V265 HydrophobicContact CD2-CG1 3.94Å; L236-V265 HydrophobicContact CD2-CG2 4.34Å; R251-V265 HydrophobicContact CB-CG1 4.11Å; R251-V265 HydrophobicContact CG-CG1 4.09Å; L254-V265 HydrophobicContact CB-CG1 4.1Å; L254-V265 HydrophobicContact CB-CG2 4.47Å; L254-V265 HydrophobicContact CD1-CG1 4.38Å; A255-V265 HydrophobicContact CB-CG2 4.05Å; T261-V265 PolarHBondContact O-N 2.82Å; E262-V265 CarbonylContact O-C 3.59Å; E262-V265 WeakPolarHBondContact O-CA 3.21Å; E262-V265 WeakPolarHBondContact O-CB 3.27Å; E262-V265 PolarHBondContact O-N 3.1Å; V265-V267 VanDerWaalsContact C-N 3.32Å; V265-V267 PolarHBondContact O-N 3.49Å; V265-W268 WeakPolarHBondContact O-CA 3.49Å; V265-W268 WeakPolarHBondContact O-CB 3.1Å; V265-W268 PolarHBondContact O-N 3.32Å; V265-F269 HydrophobicContact CG1-CD2 3.71Å; V265-F269 HydrophobicContact CG1-CE2 3.8Å; V265-F269 WeakPolarHBondContact O-CD2 3.42Å; V265-F269 PolarHBondContact O-N 2.82Å |
| 266 | Q | 97.3 | Very high | 95.8 | Very high | 95 Ų | 95 | 74 Ų | 74 | 44% | 0.444 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -54.4 | -45 | 176.5 | -167.5 | -154.7 | 51.9 | 0 | 0 | 112.4 | E262 S270 | E262-Q266 WeakPolarHBondContact O-CB 3.22Å; E262-Q266 PolarHBondContact O-N 3.22Å; Q266-S270 WeakPolarHBondContact O-CB 3.21Å; Q266-S270 PolarHBondContact O-N 3.39Å |
| 267 | V | 96.8 | Very high | 95.4 | Very high | 62 Ų | 62 | 74.2 Ų | 74.2 | 38% | 0.376 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.8 | -38 | 176.9 | 169.3 | 0 | 0 | 0 | 0 | 111.4 | A263 R264 V265 N271 | A263-V267 VanDerWaalsContact O-CG2 3.24Å; A263-V267 WeakPolarHBondContact O-CG2 3.29Å; R264-V267 PolarHBondContact O-N 3.31Å; V265-V267 VanDerWaalsContact C-N 3.32Å; V265-V267 PolarHBondContact O-N 3.49Å; V267-N271 PolarHBondContact O-N 3.17Å; V267-N271 PolarHBondContact O-ND2 2.59Å |
| 268 | W | 97.1 | Very high | 94.8 | Very high | 21 Ų | 21 | 75.6 Ų | 75.6 | 8% | 0.08 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.5 | -51.2 | 174.8 | -177.2 | 103 | 0 | 0 | 0 | 110.7 | F228 L233 L236 E237 F240 R264 V265 S270 N271 R272 | F228-W268 HydrophobicContact CE1-CB 4.24Å; F228-W268 AromaticContact CE1-CD1 3.74Å; F228-W268 HydrophobicContact CE1-CG 4.28Å; F228-W268 AromaticContact CE2-CD1 3.96Å; F228-W268 HydrophobicContact CZ-CB 4.06Å; F228-W268 AromaticContact CZ-CD1 3.65Å; F228-W268 HydrophobicContact CZ-CG 4.24Å; L233-W268 VanDerWaalsContact CD2-NE1 3.29Å; L236-W268 HydrophobicContact CB-CD2 4.06Å; L236-W268 HydrophobicContact CB-CE3 4.01Å; L236-W268 HydrophobicContact CB-CH2 3.82Å; L236-W268 HydrophobicContact CB-CZ2 3.83Å; L236-W268 HydrophobicContact CB-CZ3 3.9Å; L236-W268 HydrophobicContact CD1-CB 4.47Å; L236-W268 HydrophobicContact CD1-CD2 3.91Å; L236-W268 HydrophobicContact CD1-CE3 4.42Å; L236-W268 HydrophobicContact CD1-CG 3.87Å; L236-W268 HydrophobicContact CD2-CE3 4.39Å; L236-W268 HydrophobicContact CG-CD2 4.43Å; L236-W268 WeakPolarHBondContact O-CH2 3.29Å; L236-W268 WeakPolarHBondContact O-CZ3 3.35Å; E237-W268 HydrophobicContact CG-CH2 3.59Å; E237-W268 HydrophobicContact CG-CZ2 3.47Å; E237-W268 VanDerWaalsContact CG-CZ2 3.47Å; F240-W268 HydrophobicContact CB-CH2 4.1Å; F240-W268 HydrophobicContact CB-CZ3 4.1Å; F240-W268 HydrophobicContact CD2-CZ3 4.18Å; F240-W268 HydrophobicContact CG-CH2 4.46Å; F240-W268 HydrophobicContact CG-CZ3 4.42Å; R264-W268 WeakPolarHBondContact O-CB 3.41Å; R264-W268 PolarHBondContact O-N 2.76Å; V265-W268 WeakPolarHBondContact O-CA 3.49Å; V265-W268 WeakPolarHBondContact O-CB 3.1Å; V265-W268 PolarHBondContact O-N 3.32Å; W268-S270 VanDerWaalsContact C-N 3.32Å; W268-S270 PolarHBondContact O-N 3.35Å; W268-N271 CarbonylContact O-C 3.54Å; W268-N271 WeakPolarHBondContact O-CA 3.12Å; W268-N271 PolarHBondContact O-N 2.83Å; W268-R272 HydrophobicContact CE3-CB 4.18Å; W268-R272 HydrophobicContact CH2-CB 3.91Å; W268-R272 HydrophobicContact CH2-CG 3.64Å; W268-R272 HydrophobicContact CZ2-CB 4.29Å; W268-R272 HydrophobicContact CZ2-CG 4.19Å; W268-R272 HydrophobicContact CZ3-CB 3.86Å; W268-R272 HydrophobicContact CZ3-CG 3.97Å; W268-R272 PolarHBondContact O-N 3.13Å |
| 269 | F | 97.9 | Very high | 94 | Very high | 1 Ų | 1 | 81 Ų | 81 | 0% | 0.004 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.7 | -41 | 178.6 | -91.7 | -91.7 | 0 | 0 | 0 | 112.1 | L236 A239 F240 T243 P246 L254 V265 N271 R272 R273 | L236-F269 HydrophobicContact CD2-CE2 3.87Å; A239-F269 HydrophobicContact CB-CZ 4.1Å; F240-F269 HydrophobicContact CB-CE1 3.99Å; F240-F269 HydrophobicContact CB-CZ 4.39Å; F240-F269 AromaticContact CD2-CD1 3.72Å; F240-F269 HydrophobicContact CD2-CD1 3.72Å; F240-F269 AromaticContact CD2-CE1 3.76Å; F240-F269 HydrophobicContact CD2-CE1 3.76Å; F240-F269 HydrophobicContact CE2-CD1 4.43Å; F240-F269 HydrophobicContact CG-CE1 4.37Å; T243-F269 WeakPolarHBondContact O-CE1 3.29Å; P246-F269 VanDerWaalsContact CD-CE1 3.46Å; P246-F269 HydrophobicContact CG-CD1 3.56Å; P246-F269 HydrophobicContact CG-CD2 4.07Å; P246-F269 HydrophobicContact CG-CE1 3.5Å; P246-F269 VanDerWaalsContact CG-CE1 3.5Å; P246-F269 HydrophobicContact CG-CE2 4.03Å; P246-F269 HydrophobicContact CG-CG 3.86Å; P246-F269 HydrophobicContact CG-CZ 3.76Å; L254-F269 HydrophobicContact CD1-CE2 3.89Å; L254-F269 HydrophobicContact CD1-CZ 4.04Å; V265-F269 HydrophobicContact CG1-CD2 3.71Å; V265-F269 HydrophobicContact CG1-CE2 3.8Å; V265-F269 WeakPolarHBondContact O-CD2 3.42Å; V265-F269 PolarHBondContact O-N 2.82Å; F269-N271 PolarHBondContact O-N 3.34Å; F269-R272 PolarHBondContact O-N 3.25Å; F269-R273 WeakPolarHBondContact O-CB 3.22Å; F269-R273 WeakPolarHBondContact O-CG 3.49Å; F269-R273 PolarHBondContact O-N 3.41Å |
| 270 | S | 96.9 | Very high | 92.7 | Very high | 62 Ų | 62 | 74.1 Ų | 74.1 | 43% | 0.434 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 173.9 | -171.5 | 0 | 0 | 0 | 0 | 112.2 | Q266 W268 A274 | Q266-S270 WeakPolarHBondContact O-CB 3.21Å; Q266-S270 PolarHBondContact O-N 3.39Å; W268-S270 VanDerWaalsContact C-N 3.32Å; W268-S270 PolarHBondContact O-N 3.35Å; S270-A274 WeakPolarHBondContact O-CB 3.35Å; S270-A274 PolarHBondContact O-N 3.32Å; S270-A274 VanDerWaalsContact O-N 3.09Å |
| 271 | N | 96.3 | Very high | 91.2 | Very high | 96 Ų | 96 | 74.2 Ų | 74.2 | 51% | 0.513 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.3 | -39.2 | 175.7 | -78.7 | -72.8 | 0 | 0 | 0 | 112.9 | V267 W268 F269 A274 R275 | V267-N271 PolarHBondContact O-N 3.17Å; V267-N271 PolarHBondContact O-ND2 2.59Å; W268-N271 CarbonylContact O-C 3.54Å; W268-N271 WeakPolarHBondContact O-CA 3.12Å; W268-N271 PolarHBondContact O-N 2.83Å; F269-N271 PolarHBondContact O-N 3.34Å; N271-A274 PolarHBondContact O-N 3.45Å; N271-R275 PolarHBondContact O-N 3.43Å |
| 272 | R | 96.1 | Very high | 89.5 | Confident | 59 Ų | 59 | 72.8 Ų | 72.8 | 22% | 0.223 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.4 | -48.5 | 176.9 | -174.4 | 74.4 | 179.9 | -172 | -5.8 | 110.6 | E237 F240 W268 F269 A274 R275 W276 | E237-R272 IonicContact OE1-CZ 3.1Å; E237-R272 IonicContact OE1-NE 2.83Å; E237-R272 IonicContact OE1-NH1 3.05Å; E237-R272 PolarHBondContact OE1-NH1 3.26Å; E237-R272 IonicContact OE1-NH2 2.71Å; E237-R272 IonicContact OE2-CZ 3.99Å; E237-R272 IonicContact OE2-NH1 2.62Å; E237-R272 PolarHBondContact OE2-NH1 3.01Å; E237-R272 IonicContact OE2-NH2 2.69Å; E237-R272 PolarHBondContact OE2-NH2 3.27Å; F240-R272 HydrophobicContact CD1-CG 3.8Å; F240-R272 HydrophobicContact CD2-CB 4.05Å; F240-R272 HydrophobicContact CD2-CG 3.51Å; F240-R272 HydrophobicContact CE1-CG 3.69Å; F240-R272 HydrophobicContact CE2-CB 3.81Å; F240-R272 HydrophobicContact CE2-CG 3.4Å; F240-R272 HydrophobicContact CG-CG 3.72Å; F240-R272 HydrophobicContact CZ-CB 4.25Å; F240-R272 HydrophobicContact CZ-CG 3.5Å; F240-R272 VanDerWaalsContact CZ-CG 3.5Å; W268-R272 HydrophobicContact CE3-CB 4.18Å; W268-R272 HydrophobicContact CH2-CB 3.91Å; W268-R272 HydrophobicContact CH2-CG 3.64Å; W268-R272 HydrophobicContact CZ2-CB 4.29Å; W268-R272 HydrophobicContact CZ2-CG 4.19Å; W268-R272 HydrophobicContact CZ3-CB 3.86Å; W268-R272 HydrophobicContact CZ3-CG 3.97Å; W268-R272 PolarHBondContact O-N 3.13Å; F269-R272 PolarHBondContact O-N 3.25Å; R272-A274 PolarHBondContact O-N 3.34Å; R272-R275 WeakPolarHBondContact O-CB 3.36Å; R272-R275 PolarHBondContact O-N 3.23Å; R272-W276 PolarHBondContact O-N 2.73Å |
| 273 | R | 95.8 | Very high | 87.6 | Confident | 50 Ų | 50 | 76.6 Ų | 76.6 | 19% | 0.189 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -55.5 | -36.6 | 170.8 | -73.7 | -164.3 | -67.2 | -88.3 | 5.8 | 113 | F240 H244 Y245 F269 R275 R277 | F240-R273 HydrophobicContact CE2-CG 3.8Å; F240-R273 HydrophobicContact CZ-CG 4.29Å; H244-R273 VanDerWaalsContact O-CD 3.22Å; H244-R273 WeakPolarHBondContact O-CD 3.4Å; H244-R273 WeakPolarHBondContact O-CG 3.27Å; H244-R273 PolarHBondContact O-NH1 2.99Å; Y245-R273 VanDerWaalsContact CE1-NE 3.28Å; F269-R273 WeakPolarHBondContact O-CB 3.22Å; F269-R273 WeakPolarHBondContact O-CG 3.49Å; F269-R273 PolarHBondContact O-N 3.41Å; R273-R275 VanDerWaalsContact C-N 3.34Å; R273-R277 PolarHBondContact O-N 3.34Å; R273-R277 VanDerWaalsContact O-N 3.17Å; R273-R277 PolarHBondContact O-NE 3.18Å |
| 274 | A | 93.6 | Very high | 85.9 | Confident | 37 Ų | 37 | 81.4 Ų | 81.4 | 31% | 0.306 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -74.3 | -20.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | S270 N271 R272 K278 | S270-A274 WeakPolarHBondContact O-CB 3.35Å; S270-A274 PolarHBondContact O-N 3.32Å; S270-A274 VanDerWaalsContact O-N 3.09Å; N271-A274 PolarHBondContact O-N 3.45Å; R272-A274 PolarHBondContact O-N 3.34Å; A274-K278 WeakPolarHBondContact O-CG 3.36Å |
| 275 | R | 91.1 | Very high | 84 | Confident | 174 Ų | 174 | 82.6 Ų | 82.6 | 66% | 0.657 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -82.4 | -46.8 | 168.1 | -69.1 | 179.7 | 179.2 | -160.5 | -0.7 | 111.3 | N271 R272 R273 R277 K278 Q279 | N271-R275 PolarHBondContact O-N 3.43Å; R272-R275 WeakPolarHBondContact O-CB 3.36Å; R272-R275 PolarHBondContact O-N 3.23Å; R273-R275 VanDerWaalsContact C-N 3.34Å; R275-R277 PolarHBondContact O-N 2.95Å; R275-K278 WeakPolarHBondContact O-CA 3.42Å; R275-K278 WeakPolarHBondContact O-CB 3.41Å; R275-K278 PolarHBondContact O-N 3.01Å; R275-Q279 PolarHBondContact O-N 3.03Å |
| 276 | W | 90.7 | Very high | 82.3 | Confident | 126 Ų | 126 | 84.6 Ų | 84.6 | 48% | 0.477 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -51.1 | -51.2 | 178.2 | -175.8 | -108.2 | 0 | 0 | 0 | 112.4 | F240 H244 R272 K278 Q279 A280 | F240-W276 HydrophobicContact CE1-CD2 4.48Å; F240-W276 HydrophobicContact CZ-CB 4.19Å; F240-W276 HydrophobicContact CZ-CG 4.41Å; H244-W276 AromaticContact CE1-NE1 3.93Å; R272-W276 PolarHBondContact O-N 2.73Å; W276-K278 PolarHBondContact O-N 3.01Å; W276-Q279 PolarHBondContact O-N 2.86Å; W276-Q279 VanDerWaalsContact O-N 3.11Å; W276-A280 PolarHBondContact O-N 3.17Å |
| 277 | R | 89.9 | Confident | 80.4 | Confident | 153 Ų | 153 | 82.4 Ų | 82.4 | 58% | 0.577 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62 | -23.8 | 176.4 | -76.6 | -177.9 | -78 | 103.8 | -4.4 | 114.4 | R273 R275 G281 | R273-R277 PolarHBondContact O-N 3.34Å; R273-R277 VanDerWaalsContact O-N 3.17Å; R273-R277 PolarHBondContact O-NE 3.18Å; R275-R277 PolarHBondContact O-N 2.95Å; R277-G281 PolarHBondContact O-N 3.11Å |
| 278 | K | 83.3 | Confident | 78.3 | Confident | 160 Ų | 160 | 85.6 Ų | 85.6 | 70% | 0.696 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -80.2 | -37 | 173.6 | -70.4 | 179.9 | 177.4 | -172.5 | 0 | 112.2 | A274 R275 W276 A282 | A274-K278 WeakPolarHBondContact O-CG 3.36Å; R275-K278 WeakPolarHBondContact O-CA 3.42Å; R275-K278 WeakPolarHBondContact O-CB 3.41Å; R275-K278 PolarHBondContact O-N 3.01Å; W276-K278 PolarHBondContact O-N 3.01Å; K278-A282 WeakPolarHBondContact O-CB 3.49Å; K278-A282 PolarHBondContact O-N 2.92Å |
| 279 | Q | 77.1 | Confident | 76.3 | Confident | 120 Ų | 120 | 90 Ų | 90 | 56% | 0.561 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.5 | -47.6 | 173.9 | -72.9 | 167.9 | -58.5 | 0 | 0 | 110.5 | R275 W276 G281 A282 N283 | R275-Q279 PolarHBondContact O-N 3.03Å; W276-Q279 PolarHBondContact O-N 2.86Å; W276-Q279 VanDerWaalsContact O-N 3.11Å; Q279-G281 PolarHBondContact O-N 3.04Å; Q279-A282 PolarHBondContact O-N 2.96Å; Q279-A282 VanDerWaalsContact O-N 3.16Å; Q279-N283 PolarHBondContact O-N 2.89Å |
| 280 | A | 70.1 | Confident | 74.3 | Confident | 43 Ų | 43 | 97.9 Ų | 97.9 | 36% | 0.355 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.3 | -44.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | W276 N283 Q284 | W276-A280 PolarHBondContact O-N 3.17Å; A280-N283 PolarHBondContact O-N 3.23Å; A280-Q284 WeakPolarHBondContact O-CG 3.42Å; A280-Q284 PolarHBondContact O-N 2.82Å |
| 281 | G | 62.7 | Low | 72.2 | Confident | 31 Ų | 31 | 101.3 Ų | 101.3 | 32% | 0.32 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.8 | -33.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | R277 Q279 L285 | R277-G281 PolarHBondContact O-N 3.11Å; Q279-G281 PolarHBondContact O-N 3.04Å; G281-L285 WeakPolarHBondContact O-CG 3.45Å; G281-L285 PolarHBondContact O-N 2.9Å |
| 282 | A | 60.9 | Low | 69.7 | Low | 56 Ų | 56 | 101.3 Ų | 101.3 | 46% | 0.463 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.8 | -40.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K278 Q279 L285 A286 | K278-A282 WeakPolarHBondContact O-CB 3.49Å; K278-A282 PolarHBondContact O-N 2.92Å; Q279-A282 PolarHBondContact O-N 2.96Å; Q279-A282 VanDerWaalsContact O-N 3.16Å; A282-L285 PolarHBondContact O-N 3.16Å; A282-A286 PolarHBondContact O-N 2.86Å |
| 283 | N | 57.7 | Low | 67.1 | Low | 122 Ų | 122 | 105.1 Ų | 105.1 | 65% | 0.652 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.7 | -36.2 | 176.3 | -105.7 | 42.1 | 0 | 0 | 0 | 112.7 | Q279 A280 A286 A287 | Q279-N283 PolarHBondContact O-N 2.89Å; A280-N283 PolarHBondContact O-N 3.23Å; N283-A286 PolarHBondContact O-N 3.05Å; N283-A287 WeakPolarHBondContact O-CB 3.34Å; N283-A287 PolarHBondContact O-N 3.4Å |
| 284 | Q | 59.3 | Low | 65 | Low | 143 Ų | 143 | 106.4 Ų | 106.4 | 67% | 0.668 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65 | -38.6 | 174 | -73.6 | 179.8 | 29.8 | 0 | 0 | 112.1 | A280 A287 F288 | A280-Q284 WeakPolarHBondContact O-CG 3.42Å; A280-Q284 PolarHBondContact O-N 2.82Å; Q284-A287 PolarHBondContact O-N 3.04Å; Q284-F288 WeakPolarHBondContact O-CB 3.38Å; Q284-F288 PolarHBondContact O-N 3.38Å |
| 285 | L | 57.5 | Low | 62.5 | Low | 123 Ų | 123 | 107.3 Ų | 107.3 | 64% | 0.644 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.7 | -37.9 | 174 | -70.1 | 167.8 | 0 | 0 | 0 | 112.1 | G281 A282 N289 | G281-L285 WeakPolarHBondContact O-CG 3.45Å; G281-L285 PolarHBondContact O-N 2.9Å; A282-L285 PolarHBondContact O-N 3.16Å; L285-N289 PolarHBondContact O-N 3.48Å; L285-N289 PolarHBondContact O-ND2 3.28Å |
| 286 | A | 60.2 | Low | 60.2 | Low | 42 Ų | 42 | 108.6 Ų | 108.6 | 35% | 0.347 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.9 | -47.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A282 N283 F288 N289 H290 | A282-A286 PolarHBondContact O-N 2.86Å; N283-A286 PolarHBondContact O-N 3.05Å; A286-F288 VanDerWaalsContact C-N 3.32Å; A286-F288 PolarHBondContact O-N 3.33Å; A286-N289 WeakPolarHBondContact O-CB 3.44Å; A286-N289 PolarHBondContact O-N 3.33Å; A286-H290 PolarHBondContact O-CD2 3.18Å; A286-H290 PolarHBondContact O-N 3.31Å |
| 287 | A | 57.6 | Low | 58.1 | Low | 50 Ų | 50 | 107.3 Ų | 107.3 | 41% | 0.413 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -61.5 | -38.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N283 Q284 N289 H290 L291 | N283-A287 WeakPolarHBondContact O-CB 3.34Å; N283-A287 PolarHBondContact O-N 3.4Å; Q284-A287 PolarHBondContact O-N 3.04Å; A287-N289 VanDerWaalsContact C-N 3.33Å; A287-N289 PolarHBondContact O-N 3.45Å; A287-H290 PolarHBondContact O-N 2.98Å; A287-H290 VanDerWaalsContact O-N 3.11Å; A287-L291 PolarHBondContact O-N 2.84Å |
| 288 | F | 52.8 | Low | 56.1 | Low | 128 Ų | 128 | 106 Ų | 106 | 56% | 0.561 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.8 | -37.7 | 175.7 | -171 | -99.8 | 0 | 0 | 0 | 112.5 | Q284 A286 H290 L291 L292 | Q284-F288 WeakPolarHBondContact O-CB 3.38Å; Q284-F288 PolarHBondContact O-N 3.38Å; A286-F288 VanDerWaalsContact C-N 3.32Å; A286-F288 PolarHBondContact O-N 3.33Å; F288-H290 PolarHBondContact O-N 3.17Å; F288-L291 PolarHBondContact O-N 2.96Å; F288-L291 VanDerWaalsContact O-N 3.16Å; F288-L292 HydrophobicContact CD1-CD1 4.4Å; F288-L292 HydrophobicContact CE1-CD1 3.9Å; F288-L292 HydrophobicContact CZ-CD1 4.44Å |
| 289 | N | 55.8 | Low | 54.3 | Low | 114 Ų | 114 | 104.7 Ų | 104.7 | 61% | 0.61 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.4 | -24.8 | 174.4 | -67 | -23.7 | 0 | 0 | 0 | 113.2 | L285 A286 A287 | L285-N289 PolarHBondContact O-N 3.48Å; L285-N289 PolarHBondContact O-ND2 3.28Å; A286-N289 WeakPolarHBondContact O-CB 3.44Å; A286-N289 PolarHBondContact O-N 3.33Å; A287-N289 VanDerWaalsContact C-N 3.33Å; A287-N289 PolarHBondContact O-N 3.45Å |
| 290 | H | 55.4 | Low | 52.6 | Low | 166 Ų | 166 | 102.2 Ų | 102.2 | 77% | 0.769 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -5.8 | 176.5 | -69 | -67.3 | 0 | 0 | 0 | 114 | A286 A287 F288 | A286-H290 PolarHBondContact O-CD2 3.18Å; A286-H290 PolarHBondContact O-N 3.31Å; A287-H290 PolarHBondContact O-N 2.98Å; A287-H290 VanDerWaalsContact O-N 3.11Å; F288-H290 PolarHBondContact O-N 3.17Å |
| 291 | L | 53.2 | Low | 51 | Low | 135 Ų | 135 | 107.4 Ų | 107.4 | 71% | 0.707 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -102.8 | 3.1 | -178.1 | -71.5 | 167.1 | 0 | 0 | 0 | 113.8 | A287 F288 | A287-L291 PolarHBondContact O-N 2.84Å; F288-L291 PolarHBondContact O-N 2.96Å; F288-L291 VanDerWaalsContact O-N 3.16Å |
| 292 | L | 43.8 | Very low | 49.9 | Very low | 96 Ų | 96 | 112.2 Ų | 112.2 | 50% | 0.503 | 67% | 0.669 | S | S | . | * | S | Bend | trans | -108.7 | 109.4 | 177.5 | -70 | 172.5 | 0 | 0 | 0 | 110.8 | F288 G294 G295 | F288-L292 HydrophobicContact CD1-CD1 4.4Å; F288-L292 HydrophobicContact CE1-CD1 3.9Å; F288-L292 HydrophobicContact CZ-CD1 4.44Å; L292-G294 PolarHBondContact O-N 3.4Å; L292-G294 VanDerWaalsContact O-N 3.11Å; L292-G295 PolarHBondContact O-N 3.38Å |
| 293 | P | 40.4 | Very low | 48.8 | Very low | 139 Ų | 139 | 115.7 Ų | 115.7 | 90% | 0.903 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | 113.1 | 172.1 | -20.2 | 32.8 | 0 | 0 | 0 | 110.3 | ||
| 294 | G | 52.8 | Low | 47.8 | Very low | 77 Ų | 77 | 117.4 Ų | 117.4 | 79% | 0.794 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 110.2 | 9.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | L292 | L292-G294 PolarHBondContact O-N 3.4Å; L292-G294 VanDerWaalsContact O-N 3.11Å |
| 295 | G | 39.5 | Very low | 46.8 | Very low | 55 Ų | 55 | 116.1 Ų | 116.1 | 57% | 0.567 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -62 | 132.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L292 | L292-G295 PolarHBondContact O-N 3.38Š|
| 296 | F | 43.3 | Very low | 45.6 | Very low | 202 Ų | 202 | 116.5 Ų | 116.5 | 89% | 0.886 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 140.5 | -177.9 | -75.1 | -97.1 | 0 | 0 | 0 | 113 | ||
| 297 | P | 46.2 | Very low | 44.3 | Very low | 98 Ų | 98 | 124.5 Ų | 124.5 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 140.8 | 176.9 | 29.9 | -34.8 | 0 | 0 | 0 | 111.8 | T299 | P297-T299 PolarHBondContact O-N 3.15Š|
| 298 | P | 47.7 | Very low | 43 | Very low | 125 Ų | 125 | 130.7 Ų | 130.7 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | trans | -76.7 | 90.2 | 172.7 | 31.6 | -33.7 | 0 | 0 | 0 | 110.6 | ||||
| 299 | T | 45.6 | Very low | 42 | Very low | 133 Ų | 133 | 132 Ų | 132 | 82% | 0.816 | 76% | 0.76 | S | S | * | * | trans | -74.7 | 135.5 | 169.8 | 47.4 | 0 | 0 | 0 | 0 | 110.6 | P297 | P297-T299 PolarHBondContact O-N 3.15Š| ||
| 300 | G | 41.1 | Very low | 41 | Very low | 68 Ų | 68 | 132.5 Ų | 132.5 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | 137.6 | 16.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 301 | M | 38.3 | Very low | 39.8 | Very low | 153 Ų | 153 | 133.3 Ų | 133.3 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | -147 | 116.7 | 165.5 | 44.7 | -82.1 | -62 | 0 | 0 | 113.5 | T303 | M301-T303 PolarHBondContact O-N 3.43Š| ||
| 302 | P | 39.8 | Very low | 38.8 | Very low | 131 Ų | 131 | 130.9 Ų | 130.9 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | trans | -83.9 | 105.3 | 175.7 | 32.2 | -31.7 | 0 | 0 | 0 | 111.1 | ||||
| 303 | T | 36.3 | Very low | 38.1 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 118.6 | 161.7 | 54 | 0 | 0 | 0 | 0 | 109.3 | M301 | M301-T303 PolarHBondContact O-N 3.43Š|
| 304 | L | 37.2 | Very low | 37.6 | Very low | 158 Ų | 158 | 134.8 Ų | 134.8 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 139.3 | 173.7 | -63.5 | 172.9 | 0 | 0 | 0 | 110.2 | T306 | L304-T306 PolarHBondContact O-N 3.11Š|
| 305 | P | 37.6 | Very low | 37 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 122.3 | 178.6 | 28.3 | -33.3 | 0 | 0 | 0 | 110.8 | Y307 | P305-Y307 PolarHBondContact O-N 3.4Š|
| 306 | T | 32.2 | Very low | 36.4 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 119.3 | 164.9 | -62.1 | 0 | 0 | 0 | 0 | 109.1 | L304 Q308 | L304-T306 PolarHBondContact O-N 3.11Å; T306-Q308 PolarHBondContact O-N 3.3Å |
| 307 | Y | 33.5 | Very low | 35.8 | Very low | 210 Ų | 210 | 137 Ų | 137 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 123.5 | 169.2 | -117.4 | -96.6 | 0 | 0 | 0 | 109.5 | P305 | P305-Y307 PolarHBondContact O-N 3.4Š|
| 308 | Q | 29.9 | Very low | 35.1 | Very low | 180 Ų | 180 | 138.9 Ų | 138.9 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 122.3 | 166 | -74.2 | -177.9 | -24.9 | 0 | 0 | 108.9 | T306 | T306-Q308 PolarHBondContact O-N 3.3Š|
| 309 | L | 31.5 | Very low | 34.3 | Very low | 157 Ų | 157 | 140.6 Ų | 140.6 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 130.7 | 158.2 | -100.6 | 83.8 | 0 | 0 | 0 | 108.7 | ||
| 310 | P | 36.2 | Very low | 33.5 | Very low | 124 Ų | 124 | 139 Ų | 139 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 147.5 | 164.6 | -16.6 | 32.3 | 0 | 0 | 0 | 112 | ||
| 311 | E | 28.9 | Very low | 32.9 | Very low | 183 Ų | 183 | 144.1 Ų | 144.1 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 125.2 | -176.8 | -170.6 | 69.4 | -148.6 | 0 | 0 | 112.5 | ||
| 312 | S | 33.9 | Very low | 32.4 | Very low | 83 Ų | 83 | 145.1 Ų | 145.1 | 58% | 0.58 | 80% | 0.801 | S | S | * | * | trans | 15.7 | 140.8 | 153.2 | -160.5 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 313 | S | 27.7 | Very low | 32 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -161.2 | 86.5 | 149.6 | -81 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 314 | Y | 29.4 | Very low | 31.7 | Very low | 210 Ų | 210 | 140.8 Ų | 140.8 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | 51 | 167.3 | 146.4 | -58.6 | -74.9 | 0 | 0 | 0 | 121.8 | ||||
| 315 | P | 40.8 | Very low | 31.4 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | cis | -121.2 | -170.2 | -8.8 | 40 | -23.6 | 0 | 0 | 0 | 114.1 | ||||
| 316 | S | 27.8 | Very low | 31.4 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -84.1 | 153.9 | -171.6 | -39.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 317 | T | 30.1 | Very low | 31.7 | Very low | 145 Ų | 145 | 140 Ų | 140 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | -138.7 | 177 | 151.5 | 43 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 318 | T | 30.8 | Very low | 31.6 | Very low | 137 Ų | 137 | 139.2 Ų | 139.2 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | trans | -118.6 | 163.4 | -159.8 | 51.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 319 | L | 31.7 | Very low | 31.7 | Very low | 162 Ų | 162 | 139.4 Ų | 139.4 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | 137.8 | 144.5 | 133.6 | -161.8 | 62.8 | 0 | 0 | 0 | 115.3 | ||||
| 320 | S | 28.4 | Very low | 32.3 | Very low | 99 Ų | 99 | 138 Ų | 138 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | trans | -55.6 | 166.6 | -169.2 | -45.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 321 | Q | 28.9 | Very low | 32.2 | Very low | 176 Ų | 176 | 138 Ų | 138 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | 123.4 | 107.3 | 119 | -160.8 | 163.9 | -4.7 | 0 | 0 | 118.7 | |||||
| 322 | E | 27.9 | Very low | 33.1 | Very low | 174 Ų | 174 | 134.8 Ų | 134.8 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | 55.1 | 166.1 | 132 | -133.3 | -86.4 | 104 | 0 | 0 | 121.2 | ||||
| 323 | G | 30.6 | Very low | 33.2 | Very low | 62 Ų | 62 | 137.8 Ų | 137.8 | 64% | 0.639 | 78% | 0.776 | S | S | * | * | trans | 124.5 | 124.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 324 | S | 30.7 | Very low | 35 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | -101.2 | 143.2 | 179.1 | -67.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 325 | S | 32 | Very low | 36.1 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | trans | 42.8 | 127.7 | 146.4 | 63.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 326 | T | 36 | Very low | 35.8 | Very low | 131 Ų | 131 | 133.5 Ų | 133.5 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | -177.3 | 151.9 | 106.3 | 25.7 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 327 | L | 38.2 | Very low | 36.1 | Very low | 157 Ų | 157 | 132.8 Ų | 132.8 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | 2.1 | 132 | 156.3 | -63.5 | 162.6 | 0 | 0 | 0 | 122.1 | ||||
| 328 | H | 32 | Very low | 36.3 | Very low | 193 Ų | 193 | 133.1 Ų | 133.1 | 89% | 0.894 | 76% | 0.762 | S | S | * | * | -157.7 | 158.8 | 113.4 | -127.8 | -87.8 | 0 | 0 | 0 | 114.3 | |||||
| 329 | R | 32.9 | Very low | 36.6 | Very low | 184 Ų | 184 | 135.8 Ų | 135.8 | 69% | 0.694 | 77% | 0.765 | S | S | * | * | trans | -138.3 | 145 | -180 | 163.1 | 174.2 | 176.5 | -168.8 | -0.7 | 110 | ||||
| 330 | P | 44 | Very low | 36.7 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | -138.7 | 179.6 | 118.2 | 22 | -0.2 | 0 | 0 | 0 | 114.2 | |||||
| 331 | Q | 34.6 | Very low | 36.8 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 58% | 0.584 | 77% | 0.771 | S | S | * | * | trans | -119.2 | 171.9 | -179.5 | -162.8 | -177.3 | -6.8 | 0 | 0 | 109.8 | ||||
| 332 | P | 46.8 | Very low | 36.9 | Very low | 115 Ų | 115 | 131 Ų | 131 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | -151.3 | 177.2 | 114.9 | 38.1 | -20.9 | 0 | 0 | 0 | 116.4 | |||||
| 333 | L | 36.4 | Very low | 37.2 | Very low | 146 Ų | 146 | 130.6 Ų | 130.6 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | trans | -136.8 | -164.8 | 160.8 | -69 | 173.2 | 0 | 0 | 0 | 108.6 | ||||
| 334 | P | 65.6 | Low | 37.1 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | -106.1 | -172.2 | -109.5 | 42.4 | -24.6 | 0 | 0 | 0 | 113.3 | |||||
| 335 | P | 51.5 | Low | 37.2 | Very low | 115 Ų | 115 | 132.5 Ų | 132.5 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | -156.7 | 161.6 | 84 | 40.3 | -19.3 | 0 | 0 | 0 | 119.4 | |||||
| 336 | S | 34 | Very low | 37 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | 20.3 | 136.8 | 142.8 | -44.7 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 337 | S | 34.5 | Very low | 36.7 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | 139.6 | 153.9 | 99.5 | -143 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 338 | M | 34 | Very low | 36.3 | Very low | 151 Ų | 151 | 130.6 Ų | 130.6 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | trans | 65 | 126.8 | 159.4 | -64.7 | -60.5 | 98.4 | 0 | 0 | 123 | ||||
| 339 | H | 37 | Very low | 36.6 | Very low | 194 Ų | 194 | 126.9 Ų | 126.9 | 90% | 0.898 | 77% | 0.77 | S | S | * | * | trans | -155.6 | 136.7 | 139.5 | -108.7 | -79.2 | 0 | 0 | 0 | 111.3 | ||||
| 340 | Q | 35 | Very low | 36.5 | Very low | 181 Ų | 181 | 122.5 Ų | 122.5 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | -92.5 | 168.6 | 166.5 | -61.5 | 165.9 | -3.3 | 0 | 0 | 108.9 | ||||
| 341 | G | 31.1 | Very low | 36.1 | Very low | 80 Ų | 80 | 127.2 Ų | 127.2 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | cis | 124.5 | 96.6 | -2.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 342 | G | 29.4 | Very low | 35.9 | Very low | 74 Ų | 74 | 124.7 Ų | 124.7 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | 149.2 | 116.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 343 | L | 34.1 | Very low | 35.3 | Very low | 167 Ų | 167 | 127.2 Ų | 127.2 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | 52.6 | 117.5 | 130.3 | -53.7 | 176.8 | 0 | 0 | 0 | 124.6 | ||||
| 344 | S | 30.1 | Very low | 35 | Very low | 108 Ų | 108 | 125.2 Ų | 125.2 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | 52.9 | 134.5 | 120.9 | -53.4 | 0 | 0 | 0 | 0 | 126 | |||||
| 345 | A | 31.8 | Very low | 33.4 | Very low | 99 Ų | 99 | 124.9 Ų | 124.9 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | 69 | 159.4 | 153.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 346 | D | 29 | Very low | 32.6 | Very low | 143 Ų | 143 | 126.4 Ų | 126.4 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | cis | -151.7 | 164.4 | 5.9 | -157.2 | -21.6 | 0 | 0 | 0 | 111.8 | ||||
| 347 | S | 28.5 | Very low | 32.5 | Very low | 90 Ų | 90 | 130.4 Ų | 130.4 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | trans | 67 | 124.5 | 140.8 | -86 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 348 | S | 29.7 | Very low | 32.5 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | 95.5 | 140.4 | 127.3 | -69 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 349 | S | 38.2 | Very low | 32.3 | Very low | 114 Ų | 114 | 132.1 Ų | 132.1 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -97.9 | 155.7 | -162.9 | -43.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 350 | A | 32.2 | Very low | 32.1 | Very low | 92 Ų | 92 | 132.1 Ų | 132.1 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | trans | -155.5 | 152.5 | 154.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 351 | Y | 33.9 | Very low | 31.7 | Very low | 226 Ų | 226 | 128.3 Ų | 128.3 | 89% | 0.886 | 79% | 0.785 | S | S | * | * | trans | -72.3 | 170.3 | 173.7 | -23.8 | -88.5 | 0 | 0 | 0 | 111.3 | ||||
| 352 | G | 32 | Very low | 31.6 | Very low | 71 Ų | 71 | 128.3 Ų | 128.3 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | cis | 166.2 | 158.6 | -1.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 353 | L | 32.7 | Very low | 31.7 | Very low | 168 Ų | 168 | 135 Ų | 135 | 88% | 0.88 | 78% | 0.776 | S | S | * | * | trans | 35.8 | 114.9 | 160.2 | -70.1 | 168 | 0 | 0 | 0 | 123.4 | ||||
| 354 | S | 30.7 | Very low | 31.6 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | 89.7 | 144.3 | 120.7 | 80.3 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 355 | S | 32.6 | Very low | 31.6 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | 72.6 | 94 | 139.7 | -63.3 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 356 | N | 33.7 | Very low | 31.8 | Very low | 148 Ų | 148 | 134.3 Ų | 134.3 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | 43.4 | 113 | 117 | -174.6 | 92.8 | 0 | 0 | 0 | 121.6 | |||||
| 357 | R | 31.8 | Very low | 31.9 | Very low | 202 Ų | 202 | 136.9 Ų | 136.9 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -155.4 | 168.2 | 132.4 | -105.3 | 163 | -163.9 | -81.3 | -0.1 | 107.1 | ||||
| 358 | H | 34.2 | Very low | 32.3 | Very low | 184 Ų | 184 | 140.2 Ų | 140.2 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | cis | -141.9 | -178.6 | 47.2 | -30.1 | -79.6 | 0 | 0 | 0 | 112.7 | ||||
| 359 | S | 30.5 | Very low | 32.5 | Very low | 103 Ų | 103 | 139.7 Ų | 139.7 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | trans | -158.5 | 175 | -177.2 | -50.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 360 | F | 32.4 | Very low | 33.5 | Very low | 194 Ų | 194 | 140.3 Ų | 140.3 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | trans | 74.8 | 151.4 | 178.5 | -102.4 | -119.1 | 0 | 0 | 0 | 115.4 | ||||
| 361 | S | 28 | Very low | 33.3 | Very low | 101 Ų | 101 | 141.5 Ų | 141.5 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | cis | -160.3 | 170.7 | 13 | -165.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 362 | S | 28.2 | Very low | 33.3 | Very low | 80 Ų | 80 | 135 Ų | 135 | 56% | 0.559 | 77% | 0.768 | S | S | * | * | cis | -175 | 173.7 | -42.5 | -170.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 363 | Y | 30.5 | Very low | 33.2 | Very low | 214 Ų | 214 | 137.5 Ų | 137.5 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | trans | 66 | 156.5 | 176.1 | -65.3 | -91 | 0 | 0 | 0 | 117.9 | ||||
| 364 | S | 33.3 | Very low | 33.2 | Very low | 96 Ų | 96 | 133.9 Ų | 133.9 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | cis | -170.9 | 134.4 | -35.2 | 53.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 365 | D | 29.9 | Very low | 33.5 | Very low | 153 Ų | 153 | 136 Ų | 136 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 51.6 | 153.8 | 147 | -105.5 | -61.6 | 0 | 0 | 0 | 128.1 | ||||
| 366 | T | 35.3 | Very low | 33.9 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 68% | 0.681 | 76% | 0.763 | S | S | * | * | trans | 89.7 | 129.1 | 150.6 | 34.5 | 0 | 0 | 0 | 0 | 127.2 | ||||
| 367 | F | 31.2 | Very low | 33.8 | Very low | 197 Ų | 197 | 138.8 Ų | 138.8 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | 79 | 165.5 | 150.2 | -85.6 | -72.3 | 0 | 0 | 0 | 123.7 | ||||
| 368 | M | 37.3 | Very low | 34 | Very low | 160 Ų | 160 | 135.8 Ų | 135.8 | 79% | 0.788 | 76% | 0.764 | S | S | * | * | trans | -137.3 | 145.1 | -153.6 | -62.7 | -136.1 | 80 | 0 | 0 | 116.1 | ||||
| 369 | S | 34.8 | Very low | 35.2 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | trans | 61.5 | 170.5 | 149.3 | -63.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 370 | P | 58.6 | Low | 35.7 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | cis | -104.8 | -151.3 | -5.2 | 36.8 | -19.3 | 0 | 0 | 0 | 111 | ||||
| 371 | S | 28.6 | Very low | 35.8 | Very low | 117 Ų | 117 | 127.1 Ų | 127.1 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | cis | -150.1 | -148.5 | 7.7 | 68.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 372 | A | 32.2 | Very low | 36.1 | Very low | 89 Ų | 89 | 130.2 Ų | 130.2 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | trans | -154.1 | 154.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 373 | S | 30.8 | Very low | 36.4 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | trans | 174.4 | 160.1 | 153.4 | -80.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 374 | S | 33.4 | Very low | 36.5 | Very low | 92 Ų | 92 | 127.8 Ų | 127.8 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | cis | -170.2 | 159.2 | -39.2 | -165.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 375 | N | 36.3 | Very low | 36.6 | Very low | 148 Ų | 148 | 127.7 Ų | 127.7 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | 67.6 | 157.5 | 167 | -59.1 | -41.7 | 0 | 0 | 0 | 118.9 | ||||
| 376 | H | 40.3 | Very low | 37.4 | Very low | 148 Ų | 148 | 126.3 Ų | 126.3 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | cis | -169 | 158.9 | -32.7 | -168.3 | -77.7 | 0 | 0 | 0 | 109.1 | ||||
| 377 | M | 31.7 | Very low | 37.5 | Very low | 167 Ų | 167 | 129.8 Ų | 129.8 | 82% | 0.823 | 78% | 0.775 | S | S | * | * | trans | 122.5 | 122.5 | 155.1 | -64.2 | -64.8 | 167.6 | 0 | 0 | 116.7 | ||||
| 378 | N | 37.4 | Very low | 37.7 | Very low | 140 Ų | 140 | 127 Ų | 127 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | -126 | 178.1 | 168.2 | -169.5 | 15.8 | 0 | 0 | 0 | 106.5 | ||||
| 379 | P | 58.8 | Low | 37.8 | Very low | 102 Ų | 102 | 128 Ų | 128 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | -157.4 | 151.1 | 94.6 | 40 | -20.8 | 0 | 0 | 0 | 118.7 | |||||
| 380 | V | 40.4 | Very low | 37.7 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | 52.4 | 141 | 149.8 | -56.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 381 | G | 35.7 | Very low | 36.5 | Very low | 64 Ų | 64 | 130.2 Ų | 130.2 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | cis | 170.6 | 171.3 | 0.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 382 | N | 33.3 | Very low | 37.2 | Very low | 167 Ų | 167 | 132.2 Ų | 132.2 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | cis | -121.8 | -121.7 | 2.9 | -65.2 | -41.9 | 0 | 0 | 0 | 110.1 | ||||
| 383 | G | 34.5 | Very low | 37.2 | Very low | 67 Ų | 67 | 133.7 Ų | 133.7 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | cis | 141.3 | 132 | -1.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 384 | L | 32.9 | Very low | 37.7 | Very low | 175 Ų | 175 | 135.3 Ų | 135.3 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | cis | -137.2 | 126.1 | -1.5 | -76.1 | 171.2 | 0 | 0 | 0 | 112.4 | ||||
| 385 | S | 34.6 | Very low | 39.1 | Very low | 94 Ų | 94 | 135.7 Ų | 135.7 | 66% | 0.657 | 79% | 0.788 | S | S | * | * | trans | 32.2 | 127 | 143.5 | -158.9 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 386 | P | 47.9 | Very low | 38.5 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | -111.8 | 166 | 144.8 | 39.1 | -30.2 | 0 | 0 | 0 | 113 | ||||
| 387 | Q | 37.7 | Very low | 38 | Very low | 183 Ų | 183 | 132 Ų | 132 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -145.9 | 149.6 | 174.8 | -71.6 | -167.3 | -8.7 | 0 | 0 | 115.1 | ||||
| 388 | V | 34.2 | Very low | 38.1 | Very low | 140 Ų | 140 | 130.8 Ų | 130.8 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | trans | -156.2 | 156.3 | 175.6 | -157.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 389 | M | 38.8 | Very low | 38.7 | Very low | 180 Ų | 180 | 129.4 Ų | 129.4 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | trans | 121.5 | 166.9 | 151.7 | -65.5 | -166.6 | 176.4 | 0 | 0 | 119.1 | ||||
| 390 | S | 32.8 | Very low | 37.3 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | 83.9 | 145.2 | 166.6 | -102.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 391 | I | 34.7 | Very low | 36.7 | Very low | 163 Ų | 163 | 132.7 Ų | 132.7 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | cis | -142.9 | 172.9 | 3.2 | -38.2 | 165.8 | 0 | 0 | 0 | 110.6 | ||||
| 392 | L | 42.5 | Very low | 37.3 | Very low | 160 Ų | 160 | 134.1 Ų | 134.1 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | trans | -123.7 | 148.1 | 174.6 | -175.8 | 82.6 | 0 | 0 | 0 | 112.4 | ||||
| 393 | S | 33.2 | Very low | 37.1 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -165.8 | 162.1 | 164.5 | -89.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 394 | N | 39.8 | Very low | 36.9 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | -154.8 | -168.5 | -179.5 | -147.5 | 16.3 | 0 | 0 | 0 | 107.5 | ||||
| 395 | P | 62.7 | Low | 36.6 | Very low | 100 Ų | 100 | 134.6 Ų | 134.6 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | cis | -133.8 | -174 | -17.5 | 44 | -27.8 | 0 | 0 | 0 | 114.8 | ||||
| 396 | S | 25.6 | Very low | 36.5 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | 171.3 | 149.5 | 136.9 | -82 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 397 | A | 29.7 | Very low | 35.6 | Very low | 102 Ų | 102 | 138.5 Ų | 138.5 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | 74.5 | 152 | 150.1 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 398 | V | 33.4 | Very low | 35.3 | Very low | 141 Ų | 141 | 137.4 Ų | 137.4 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | trans | -171.9 | 159.7 | -164.5 | 137.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 399 | P | 50.3 | Low | 35.3 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | cis | -140.7 | -158.5 | 24.2 | 34.9 | -9.1 | 0 | 0 | 0 | 116.5 | ||||
| 400 | S | 27.8 | Very low | 35.3 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | 119.1 | 150.7 | 142.7 | -61.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 401 | Q | 29.4 | Very low | 35.4 | Very low | 185 Ų | 185 | 135.6 Ų | 135.6 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | -132.6 | 179.5 | -177.6 | -123.6 | -156.1 | -3.1 | 0 | 0 | 109.2 | ||||
| 402 | P | 48.2 | Very low | 35.2 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 61% | 0.61 | 78% | 0.783 | S | S | * | * | cis | -137.9 | -171.7 | -3.7 | 31.9 | -7.4 | 0 | 0 | 0 | 116.6 | ||||
| 403 | Q | 28.5 | Very low | 34.5 | Very low | 155 Ų | 155 | 133 Ų | 133 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | trans | 106.9 | 145.2 | 150.4 | -67.9 | -62.4 | 0.6 | 0 | 0 | 123.7 | ||||
| 404 | H | 29.6 | Very low | 34.3 | Very low | 147 Ų | 147 | 132.4 Ų | 132.4 | 68% | 0.681 | 77% | 0.769 | S | S | * | * | trans | 67.4 | 92.3 | 161.7 | -67.5 | -56.1 | 0 | 0 | 0 | 123.4 | ||||
| 405 | D | 28 | Very low | 33.9 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 63% | 0.631 | 77% | 0.772 | S | S | * | * | 79.8 | 144.6 | 112.4 | -79.1 | -56.1 | 0 | 0 | 0 | 125.9 | |||||
| 406 | F | 30.9 | Very low | 32.3 | Very low | 183 Ų | 183 | 136.9 Ų | 136.9 | 80% | 0.803 | 78% | 0.781 | S | S | * | * | trans | 45.9 | 99.4 | 166.8 | -56.7 | -63 | 0 | 0 | 0 | 119.3 | ||||
| 407 | S | 29.3 | Very low | 32.6 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | -170.8 | 160.8 | 74.6 | -70.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 408 | I | 32.4 | Very low | 32.6 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 82% | 0.815 | 78% | 0.779 | S | S | * | * | trans | -122.9 | 128.6 | -169.9 | -54.2 | 172.7 | 0 | 0 | 0 | 108.1 | ||||
| 409 | S | 33.7 | Very low | 33 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | -170.9 | 151.6 | 78.1 | -53 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 410 | P | 38.8 | Very low | 32.9 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | trans | -97.2 | 177.2 | 167.9 | 38.6 | -34.2 | 0 | 0 | 0 | 113.9 | ||||
| 411 | L | 34 | Very low | 33.2 | Very low | 168 Ų | 168 | 139.9 Ų | 139.9 | 88% | 0.88 | 78% | 0.776 | S | S | * | * | trans | -65.7 | 153.1 | 176.4 | -55.5 | 164.2 | 0 | 0 | 0 | 113.5 | ||||
| 412 | H | 30.5 | Very low | 33.3 | Very low | 176 Ų | 176 | 136.6 Ų | 136.6 | 82% | 0.815 | 77% | 0.773 | S | S | * | * | -172.5 | 155.3 | 114.4 | -166.6 | -118.6 | 0 | 0 | 0 | 114 | |||||
| 413 | S | 29.6 | Very low | 32.5 | Very low | 91 Ų | 91 | 136 Ų | 136 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | trans | -39.3 | 139.9 | -178.8 | -45.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 414 | S | 28.4 | Very low | 32.5 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | -171.9 | 137.6 | 121.2 | -171.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 415 | L | 31.1 | Very low | 32.6 | Very low | 175 Ų | 175 | 132.5 Ų | 132.5 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | trans | -144.5 | 100.7 | 163.1 | -83.8 | -177.1 | 0 | 0 | 0 | 111.5 | ||||
| 416 | E | 28.8 | Very low | 32.9 | Very low | 178 Ų | 178 | 132.1 Ų | 132.1 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | -76.7 | 154 | 157.5 | -172.2 | 71 | -147.9 | 0 | 0 | 109.2 | ||||
| 417 | S | 31.1 | Very low | 32.9 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | -91.2 | 133.8 | -178.3 | -64.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 418 | S | 31.6 | Very low | 32.9 | Very low | 117 Ų | 117 | 136.5 Ų | 136.5 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -156 | 141.3 | 160.6 | 54.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 419 | N | 40.2 | Very low | 33 | Very low | 158 Ų | 158 | 132.5 Ų | 132.5 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | -96.8 | 161.1 | -179.7 | -69.2 | -11.9 | 0 | 0 | 0 | 112.2 | ||||
| 420 | P | 49.2 | Very low | 32.8 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | -111.9 | 176 | 132.4 | 6.8 | 14.8 | 0 | 0 | 0 | 109.9 | ||||
| 421 | I | 34 | Very low | 32.5 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 77% | 0.774 | 78% | 0.781 | S | S | * | * | cis | -156.9 | 151.8 | 24.9 | -4.7 | 178.4 | 0 | 0 | 0 | 110.4 | ||||
| 422 | S | 32.1 | Very low | 32.6 | Very low | 115 Ų | 115 | 133 Ų | 133 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | 60.3 | 151.3 | 147.5 | -64.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 423 | A | 30.6 | Very low | 32.8 | Very low | 82 Ų | 82 | 134 Ų | 134 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | cis | -167.4 | 160 | -16.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 424 | S | 29.5 | Very low | 32.7 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | 62.6 | 158.8 | 157.8 | -70.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 425 | C | 30 | Very low | 33 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 72% | 0.716 | 78% | 0.779 | S | S | * | * | cis | -172 | 119.3 | -30.2 | -178.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 426 | S | 34 | Very low | 33 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | 60.5 | 160.7 | 158.1 | -51.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 427 | Q | 31.4 | Very low | 33.1 | Very low | 176 Ų | 176 | 131.3 Ų | 131.3 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | cis | -130.1 | 148.8 | -0.8 | -71 | -172.7 | 76.6 | 0 | 0 | 108.7 | ||||
| 428 | R | 30.3 | Very low | 33.2 | Very low | 218 Ų | 218 | 134.1 Ų | 134.1 | 82% | 0.823 | 78% | 0.78 | S | S | * | * | 38.9 | 142.5 | 88.4 | -89.6 | -178.9 | 165.7 | -92.8 | 7.9 | 116.2 | |||||
| 429 | S | 33.9 | Very low | 33.2 | Very low | 75 Ų | 75 | 133 Ų | 133 | 52% | 0.524 | 78% | 0.779 | S | S | . | * | cis | -179.5 | 162.8 | -27.8 | 46.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 430 | D | 29 | Very low | 32.8 | Very low | 149 Ų | 149 | 131.1 Ų | 131.1 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | 116.9 | 148.3 | 154.8 | -56.2 | -28.1 | 0 | 0 | 0 | 118.4 | ||||
| 431 | S | 32.5 | Very low | 32.2 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -165.1 | 115 | 175.8 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 432 | I | 36.4 | Very low | 32 | Very low | 143 Ų | 143 | 132.3 Ų | 132.3 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | trans | -146.9 | 116.8 | 178.7 | -56.4 | -178.7 | 0 | 0 | 0 | 111 | ||||
| 433 | K | 34.9 | Very low | 32 | Very low | 196 Ų | 196 | 130.9 Ų | 130.9 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | trans | 41.2 | 131.8 | 152.7 | -52.8 | 170.8 | -177 | 177.4 | 0 | 120.8 | ||||
| 434 | S | 27.4 | Very low | 32 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | 149.8 | 135.9 | 96 | -147.9 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 435 | V | 34.3 | Very low | 32.3 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 74% | 0.739 | 78% | 0.776 | S | S | * | * | trans | 49.5 | 139 | 150.5 | -62 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 436 | D | 32.1 | Very low | 33.1 | Very low | 143 Ų | 143 | 138 Ų | 138 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | trans | 40.4 | 123.1 | 143.2 | -66.7 | -74.1 | 0 | 0 | 0 | 124.7 | ||||
| 437 | S | 29.9 | Very low | 33.9 | Very low | 129 Ų | 129 | 139 Ų | 139 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | -179.9 | 177.7 | 118.5 | -80.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 438 | L | 34.3 | Very low | 34.1 | Very low | 172 Ų | 172 | 136.9 Ų | 136.9 | 90% | 0.901 | 78% | 0.784 | S | S | * | * | trans | -118.6 | 164.5 | -155.6 | -147.7 | 79.7 | 0 | 0 | 0 | 115.9 | ||||
| 439 | A | 31.6 | Very low | 34.1 | Very low | 95 Ų | 95 | 137.2 Ų | 137.2 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | 69.6 | 153.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 440 | S | 30.8 | Very low | 34 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | cis | -147.1 | -169.1 | 19.3 | -163.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 441 | S | 37.4 | Very low | 34.2 | Very low | 104 Ų | 104 | 134.9 Ų | 134.9 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -104.2 | 177.8 | -165.3 | -56.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 442 | Q | 30.1 | Very low | 34.3 | Very low | 185 Ų | 185 | 135.8 Ų | 135.8 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | 89.5 | 152.2 | 166.8 | -62.2 | -171.2 | 95.3 | 0 | 0 | 118.4 | ||||
| 443 | S | 32.5 | Very low | 34 | Very low | 85 Ų | 85 | 132.7 Ų | 132.7 | 59% | 0.594 | 78% | 0.778 | S | S | * | * | cis | -176.5 | 171 | -45.3 | 49.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 444 | Y | 29.4 | Very low | 33.9 | Very low | 223 Ų | 223 | 134.2 Ų | 134.2 | 88% | 0.875 | 78% | 0.78 | S | S | * | * | trans | 80.5 | 161.1 | 163.2 | -88.2 | -85.7 | 0 | 0 | 0 | 120.4 | ||||
| 445 | C | 36.7 | Very low | 34.3 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | trans | -119.2 | 162 | -161 | -46.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 446 | P | 46.2 | Very low | 34.2 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | trans | -92.7 | 149.5 | 164.7 | 35.6 | -31.9 | 0 | 0 | 0 | 113.2 | ||||
| 447 | P | 49.8 | Very low | 34.2 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | trans | -100.9 | -179.8 | 178.7 | 39.5 | -36 | 0 | 0 | 0 | 114.7 | ||||
| 448 | T | 35.9 | Very low | 35.6 | Very low | 133 Ų | 133 | 133.4 Ų | 133.4 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | trans | -106.2 | 145.1 | -177.1 | 53.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 449 | Y | 30.7 | Very low | 35.5 | Very low | 225 Ų | 225 | 131.2 Ų | 131.2 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | trans | -160.3 | 177.1 | 144.8 | -144 | -112.5 | 0 | 0 | 0 | 113.6 | ||||
| 450 | S | 32.8 | Very low | 35.5 | Very low | 102 Ų | 102 | 133.3 Ų | 133.3 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | -138.7 | -167.4 | -174.9 | -51.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 451 | A | 32.5 | Very low | 35.7 | Very low | 73 Ų | 73 | 132.2 Ų | 132.2 | 60% | 0.603 | 77% | 0.773 | S | S | * | * | cis | -159.6 | -175.1 | 2.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 452 | T | 34.5 | Very low | 35.2 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | trans | 65.5 | 155.7 | 155.5 | 39.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 453 | S | 30.9 | Very low | 35.1 | Very low | 78 Ų | 78 | 131.7 Ų | 131.7 | 55% | 0.545 | 77% | 0.77 | S | S | . | * | cis | -172.3 | 162.7 | -9 | 41.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 454 | Y | 32.6 | Very low | 35.1 | Very low | 229 Ų | 229 | 134.8 Ų | 134.8 | 90% | 0.898 | 78% | 0.775 | S | S | * | * | trans | 69.3 | 152.9 | 171.5 | -50.1 | -76.9 | 0 | 0 | 0 | 116.5 | ||||
| 455 | G | 34.3 | Very low | 35 | Very low | 60 Ų | 60 | 133.9 Ų | 133.9 | 62% | 0.619 | 77% | 0.772 | S | S | * | * | cis | 169.3 | 168.4 | -9.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 456 | V | 33.3 | Very low | 34.7 | Very low | 159 Ų | 159 | 132.3 Ų | 132.3 | 96% | 0.964 | 76% | 0.762 | S | S | * | * | trans | 70.7 | 140.1 | 170 | -52.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 457 | D | 31.8 | Very low | 33.9 | Very low | 155 Ų | 155 | 132.9 Ų | 132.9 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | trans | -121.6 | -167.4 | 172.9 | -139.6 | -7.8 | 0 | 0 | 0 | 105.8 | ||||
| 458 | P | 60.4 | Low | 33 | Very low | 102 Ų | 102 | 137 Ų | 137 | 66% | 0.662 | 75% | 0.754 | S | S | * | * | cis | -142.1 | -151.3 | 9.2 | 35.4 | -8.5 | 0 | 0 | 0 | 114.9 | ||||
| 459 | V | 31 | Very low | 32.8 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | 90.6 | 129.3 | 164.7 | -176.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 460 | T | 32.6 | Very low | 32.7 | Very low | 138 Ų | 138 | 132.2 Ų | 132.2 | 85% | 0.847 | 75% | 0.752 | S | S | * | * | cis | -134 | 166.2 | 19.3 | -32.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 461 | A | 33.9 | Very low | 32.9 | Very low | 95 Ų | 95 | 133.3 Ų | 133.3 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | -100.8 | 166.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 462 | G | 27.6 | Very low | 32.9 | Very low | 68 Ų | 68 | 134.2 Ų | 134.2 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | trans | -170 | 72.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 463 | Y | 28.5 | Very low | 33.6 | Very low | 210 Ų | 210 | 133.9 Ų | 133.9 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | trans | 33.8 | 140.1 | 145.9 | -70.5 | -100.7 | 0 | 0 | 0 | 122.4 | ||||
| 464 | Q | 31.4 | Very low | 33.6 | Very low | 151 Ų | 151 | 137.3 Ų | 137.3 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | cis | -173 | 144.9 | -13.2 | -162.3 | -173.6 | -3.9 | 0 | 0 | 111 | ||||
| 465 | Y | 27.7 | Very low | 33.6 | Very low | 204 Ų | 204 | 135.9 Ų | 135.9 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | trans | 55.2 | 143.7 | 160 | -106.4 | -134.2 | 0 | 0 | 0 | 119.3 | ||||
| 466 | S | 30 | Very low | 33.6 | Very low | 78 Ų | 78 | 140.4 Ų | 140.4 | 55% | 0.545 | 78% | 0.775 | S | S | . | * | cis | -153.3 | 174.9 | 22.8 | -147.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 467 | Q | 28.8 | Very low | 33.6 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 64% | 0.64 | 76% | 0.761 | S | S | * | * | cis | -157.2 | -180 | 4.6 | -152.4 | 150.3 | -40.1 | 0 | 0 | 111 | ||||
| 468 | Y | 32 | Very low | 33.7 | Very low | 217 Ų | 217 | 139.1 Ų | 139.1 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | trans | 24.2 | 124.2 | 161.6 | -73.4 | -54.6 | 0 | 0 | 0 | 121 | ||||
| 469 | G | 31.2 | Very low | 32.3 | Very low | 78 Ų | 78 | 142 Ų | 142 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | 151 | 18.7 | 151.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 470 | Q | 29.3 | Very low | 32.4 | Very low | 179 Ų | 179 | 142.9 Ų | 142.9 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | trans | -62.5 | 140.8 | 172.4 | -77.4 | -179 | -9 | 0 | 0 | 111 | ||||
| 471 | T | 36.6 | Very low | 32.3 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 76% | 0.761 | 77% | 0.774 | S | S | * | * | 54.2 | 146.3 | 66.5 | 75.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 472 | A | 32.5 | Very low | 32.2 | Very low | 92 Ų | 92 | 144.9 Ų | 144.9 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | cis | -151 | -174 | 21.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 473 | V | 50.1 | Low | 32.4 | Very low | 130 Ų | 130 | 146.6 Ų | 146.6 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | trans | -74.2 | 168.2 | 169.1 | -67.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 474 | D | 29.9 | Very low | 32.5 | Very low | 150 Ų | 150 | 142.5 Ų | 142.5 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | -145.5 | 169.3 | 156.1 | -139.8 | -39.9 | 0 | 0 | 0 | 112.7 | ||||
| 475 | Y | 31.7 | Very low | 32.6 | Very low | 199 Ų | 199 | 143.6 Ų | 143.6 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | trans | -88.4 | 168.4 | -160.8 | -73.8 | -111.7 | 0 | 0 | 0 | 113.6 | ||||
| 476 | L | 34.4 | Very low | 33.1 | Very low | 156 Ų | 156 | 145.8 Ų | 145.8 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | 179.4 | 139.7 | 57 | -176.2 | 59.4 | 0 | 0 | 0 | 114.5 | |||||
| 477 | A | 33.3 | Very low | 33.3 | Very low | 81 Ų | 81 | 153.5 Ų | 153.5 | 67% | 0.669 | 81% | 0.806 | S | S | * | * | trans | 30.9 | 134.2 | 153.3 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 478 | K | 34.4 | Very low | 33.7 | Very low | 206 Ų | 206 | 155.6 Ų | 155.6 | 90% | 0.896 | 82% | 0.818 | S | S | * | * | -163.1 | 139.4 | 104.9 | -104.6 | 163.9 | -173.5 | 173.5 | 0 | 112.9 | |||||
| 479 | N | 31.4 | Very low | 33.7 | Very low | 161 Ų | 161 | 154.7 Ų | 154.7 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | trans | -90.2 | 152.6 | 171.2 | -68.2 | -37.7 | 0 | 0 | 0 | 110.8 | ||||
| 480 | V | 32.4 | Very low | 33.8 | Very low | 146 Ų | 146 | 157.9 Ų | 157.9 | 89% | 0.885 | 82% | 0.817 | S | S | * | * | trans | -170.8 | 138.9 | 132.3 | 137.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 481 | S | 31 | Very low | 34.1 | Very low | 107 Ų | 107 | 152 Ų | 152 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | -81.1 | 157.4 | 177.4 | -48.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 482 | L | 32 | Very low | 33.9 | Very low | 168 Ų | 168 | 153.4 Ų | 153.4 | 88% | 0.88 | 81% | 0.807 | S | S | * | * | -166.9 | 148.7 | 126.8 | -108.2 | 166.6 | 0 | 0 | 0 | 112.8 | |||||
| 483 | S | 32 | Very low | 34.1 | Very low | 105 Ų | 105 | 158 Ų | 158 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | trans | -114.3 | 131 | 171.4 | 178.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 484 | T | 30.7 | Very low | 33.3 | Very low | 124 Ų | 124 | 157.3 Ų | 157.3 | 76% | 0.761 | 81% | 0.813 | S | S | * | * | trans | -139.3 | 90 | 173.8 | -46.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 485 | Q | 32.4 | Very low | 33.7 | Very low | 173 Ų | 173 | 154.4 Ų | 154.4 | 81% | 0.808 | 81% | 0.81 | S | S | * | * | 63.5 | 122.5 | 80 | -161.5 | -179.1 | 57.7 | 0 | 0 | 112.5 | R487 | Q485-R487 PolarHBondContact O-N 3.16Š| |||
| 486 | R | 38.9 | Very low | 34 | Very low | 251 Ų | 251 | 151.4 Ų | 151.4 | 95% | 0.947 | 81% | 0.812 | S | S | * | * | trans | -62.8 | 133.3 | 175.8 | -66.3 | 174.6 | 175.4 | 171.5 | -2.7 | 109.7 | ||||
| 487 | R | 35.3 | Very low | 34.3 | Very low | 239 Ų | 239 | 152 Ų | 152 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | trans | -126.3 | 117.6 | 162.2 | -169.2 | 170.5 | -178.8 | -174.2 | 0.1 | 109.7 | Q485 | Q485-R487 PolarHBondContact O-N 3.16Š| ||
| 488 | M | 35.8 | Very low | 34.4 | Very low | 181 Ų | 181 | 151.5 Ų | 151.5 | 89% | 0.892 | 82% | 0.818 | S | S | * | * | trans | -65.8 | 142.5 | 166.1 | -70.7 | 176.7 | 169.8 | 0 | 0 | 108.8 | ||||
| 489 | K | 33.3 | Very low | 34.7 | Very low | 199 Ų | 199 | 150.6 Ų | 150.6 | 87% | 0.865 | 82% | 0.822 | S | S | * | * | trans | -116.2 | 97.8 | 176.7 | -171.3 | 171 | -176.1 | -179.8 | 0 | 108.9 | ||||
| 490 | L | 33.3 | Very low | 35 | Very low | 144 Ų | 144 | 151 Ų | 151 | 75% | 0.754 | 82% | 0.823 | S | S | * | * | trans | -60.2 | 146.2 | 153 | -87.2 | 73.5 | 0 | 0 | 0 | 107.7 | ||||
| 491 | G | 34.4 | Very low | 35.3 | Very low | 57 Ų | 57 | 152.4 Ų | 152.4 | 59% | 0.588 | 82% | 0.82 | S | S | * | * | trans | -104.6 | 111.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | H493 | G491-H493 PolarHBondContact O-CD2 3.11Å; G491-H493 PolarHBondContact O-N 3.43Å | ||
| 492 | D | 33.5 | Very low | 35.6 | Very low | 152 Ų | 152 | 154.3 Ų | 154.3 | 81% | 0.813 | 83% | 0.827 | S | S | * | * | trans | -69.8 | 125.9 | 173.9 | -57.9 | -62.8 | 0 | 0 | 0 | 109.5 | S494 | D492-S494 PolarHBondContact O-N 3.36Š| ||
| 493 | H | 36.3 | Very low | 35.8 | Very low | 188 Ų | 188 | 153.3 Ų | 153.3 | 87% | 0.87 | 82% | 0.818 | S | S | * | * | trans | -81.3 | 109 | 179.9 | -78.2 | -106.5 | 0 | 0 | 0 | 110.2 | G491 | G491-H493 PolarHBondContact O-CD2 3.11Å; G491-H493 PolarHBondContact O-N 3.43Å | ||
| 494 | S | 32.8 | Very low | 36.3 | Very low | 116 Ų | 116 | 154.8 Ų | 154.8 | 81% | 0.811 | 82% | 0.823 | S | S | * | * | trans | -82.6 | 113.2 | 163.8 | -174.4 | 0 | 0 | 0 | 0 | 109.4 | D492 | D492-S494 PolarHBondContact O-N 3.36Š| ||
| 495 | A | 39.3 | Very low | 36.6 | Very low | 89 Ų | 89 | 152.4 Ų | 152.4 | 74% | 0.736 | 82% | 0.822 | S | S | * | * | trans | -135.3 | 93.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | L497 | A495-L497 PolarHBondContact O-N 3.12Š| ||
| 496 | V | 38.2 | Very low | 36.9 | Very low | 136 Ų | 136 | 153.1 Ų | 153.1 | 82% | 0.824 | 83% | 0.826 | S | S | * | * | trans | -83.1 | 109.9 | 172.8 | 174.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 497 | L | 39.8 | Very low | 37.1 | Very low | 169 Ų | 169 | 145 Ų | 145 | 89% | 0.885 | 81% | 0.813 | S | S | * | * | trans | -145.1 | 134.2 | 169.5 | -79.1 | -177.6 | 0 | 0 | 0 | 112.4 | A495 | A495-L497 PolarHBondContact O-N 3.12Š| ||
| 498 | G | 35.7 | Very low | 37.4 | Very low | 70 Ų | 70 | 148.4 Ų | 148.4 | 72% | 0.722 | 83% | 0.828 | S | S | * | * | trans | 60.4 | 88.4 | 141.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | L500 | G498-L500 PolarHBondContact O-N 3.12Š| ||
| 499 | L | 39.3 | Very low | 37.5 | Very low | 187 Ų | 187 | 146.8 Ų | 146.8 | 98% | 0.979 | 83% | 0.825 | S | S | * | * | trans | -63.9 | 115.8 | 143.4 | -88.7 | 165.5 | 0 | 0 | 0 | 108.2 | ||||
| 500 | L | 38.5 | Very low | 37.7 | Very low | 169 Ų | 169 | 144 Ų | 144 | 89% | 0.885 | 82% | 0.822 | S | S | * | * | trans | -135.2 | 134.1 | 165.4 | -110.7 | 170.1 | 0 | 0 | 0 | 109 | G498 | G498-L500 PolarHBondContact O-N 3.12Š| ||
| 501 | Q | 38.4 | Very low | 37.9 | Very low | 176 Ų | 176 | 144 Ų | 144 | 82% | 0.822 | 83% | 0.826 | S | S | * | * | trans | -102.3 | 124.1 | -165.7 | 178.8 | 176.8 | -16.5 | 0 | 0 | 109.8 | ||||
| 502 | V | 38.4 | Very low | 38.1 | Very low | 147 Ų | 147 | 149.1 Ų | 149.1 | 89% | 0.891 | 84% | 0.84 | S | S | * | * | trans | -134.7 | 144.7 | 170.7 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 503 | E | 36.5 | Very low | 38.4 | Very low | 148 Ų | 148 | 148.9 Ų | 148.9 | 69% | 0.692 | 84% | 0.842 | S | S | * | * | trans | -121.8 | 151.8 | -161.1 | -152.4 | -170.3 | 130.1 | 0 | 0 | 111.7 | ||||
| 504 | T | 42.3 | Very low | 38.6 | Very low | 136 Ų | 136 | 146.3 Ų | 146.3 | 83% | 0.834 | 84% | 0.84 | S | S | * | * | trans | 61.1 | 147.9 | 167.5 | 62.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 505 | G | 36.3 | Very low | 39 | Very low | 73 Ų | 73 | 148.5 Ų | 148.5 | 75% | 0.753 | 84% | 0.842 | S | S | * | * | trans | 148.7 | 78.5 | 156.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 506 | Q | 39.4 | Very low | 39 | Very low | 188 Ų | 188 | 153.1 Ų | 153.1 | 88% | 0.879 | 85% | 0.85 | S | S | * | * | trans | 42.6 | 125.4 | 152.4 | -77.2 | -174 | -15.6 | 0 | 0 | 121 | ||||
| 507 | A | 41.4 | Very low | 39 | Very low | 82 Ų | 82 | 154.5 Ų | 154.5 | 68% | 0.678 | 85% | 0.853 | S | S | * | * | 68.1 | 139.8 | 94 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 508 | Y | 42.4 | Very low | 39 | Very low | 309 Ų | 309 | 153.2 Ų | 153.2 | 100% | 1.212 | 85% | 0.85 | S | S | * | * | cis | -111.2 | 0 | 15.8 | -94.4 | -111.3 | 0 | 0 | 0 | 114.2 |
Retrieved 508 of 508 residues in 271.7 ms
(Link to these results)