| 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 | 59.5 | Low | 69.8 | Low | 243 Ų | 243 | 173.3 Ų | 173.3 | 100% | 1.197 | 84% | 0.837 | S | S | * | * | 0 | 90 | 0 | -70.9 | 170.3 | -178.6 | 0 | 0 | 106.3 | |||||
| 2 | E | 61.3 | Low | 69 | Low | 192 Ų | 192 | 168.2 Ų | 168.2 | 90% | 0.897 | 83% | 0.832 | S | S | * | * | trans | -150 | 134.8 | -179.5 | -148.9 | 153.9 | 109.5 | 0 | 0 | 108.2 | ||||
| 3 | L | 72.3 | Confident | 68 | Low | 158 Ų | 158 | 172.3 Ų | 172.3 | 83% | 0.827 | 84% | 0.835 | S | S | * | * | trans | -87.5 | 118.3 | -172.1 | -78.5 | 162.4 | 0 | 0 | 0 | 109.9 | F5 | L3-F5 VanDerWaalsContact C-N 3.33Å; L3-F5 PolarHBondContact O-N 3.06Å | ||
| 4 | Q | 75.6 | Confident | 67.6 | Low | 162 Ų | 162 | 172 Ų | 172 | 76% | 0.757 | 83% | 0.832 | S | S | * | * | trans | -70.5 | 80.9 | -177.4 | -158 | 80.6 | 35.5 | 0 | 0 | 111.7 | H6 | Q4-H6 PolarHBondContact O-N 3.47Å; Q4-H6 VanDerWaalsContact O-N 3.1Å; Q4-H6 PolarHBondContact O-ND1 2.97Å; Q4-H6 VanDerWaalsContact O-ND1 3.09Å | ||
| 5 | F | 72.4 | Confident | 67 | Low | 191 Ų | 191 | 172.5 Ų | 172.5 | 84% | 0.838 | 83% | 0.832 | S | S | * | * | trans | -65.1 | 108 | 172.6 | -105.2 | -94.3 | 0 | 0 | 0 | 110.3 | L3 | L3-F5 VanDerWaalsContact C-N 3.33Å; L3-F5 PolarHBondContact O-N 3.06Å | ||
| 6 | H | 76.8 | Confident | 66.6 | Low | 154 Ų | 154 | 172.1 Ų | 172.1 | 71% | 0.713 | 83% | 0.828 | S | S | * | * | trans | -84.8 | 122.6 | 172.4 | -76.2 | 71.6 | 0 | 0 | 0 | 109.6 | Q4 Q8 | Q4-H6 PolarHBondContact O-N 3.47Å; Q4-H6 VanDerWaalsContact O-N 3.1Å; Q4-H6 PolarHBondContact O-ND1 2.97Å; Q4-H6 VanDerWaalsContact O-ND1 3.09Å; H6-Q8 PolarHBondContact O-N 3.21Å; H6-Q8 VanDerWaalsContact O-N 3.17Å | ||
| 7 | P | 76.3 | Confident | 65.9 | Low | 122 Ų | 122 | 172.6 Ų | 172.6 | 79% | 0.792 | 83% | 0.83 | S | S | * | * | trans | -71.7 | 109.9 | 175.9 | 28 | -32.6 | 0 | 0 | 0 | 110.3 | Q9 | P7-Q9 PolarHBondContact O-N 3Š| ||
| 8 | Q | 67.4 | Low | 65.1 | Low | 182 Ų | 182 | 172.9 Ų | 172.9 | 85% | 0.85 | 83% | 0.83 | S | S | * | * | trans | -68.7 | 123.2 | 173 | -172.7 | -179.1 | 2.3 | 0 | 0 | 109.6 | H6 H10 | H6-Q8 PolarHBondContact O-N 3.21Å; H6-Q8 VanDerWaalsContact O-N 3.17Å; Q8-H10 PolarHBondContact O-N 3.01Å | ||
| 9 | Q | 69.7 | Low | 65.3 | Low | 161 Ų | 161 | 169.7 Ų | 169.7 | 75% | 0.752 | 82% | 0.824 | S | S | * | * | trans | -71.5 | 131 | -178.2 | -65.1 | -164.2 | -0.4 | 0 | 0 | 111.9 | P7 H11 | P7-Q9 PolarHBondContact O-N 3Å; Q9-H11 PolarHBondContact O-N 3.05Å; Q9-H11 PolarHBondContact O-ND1 2.83Å | ||
| 10 | H | 69 | Low | 65.9 | Low | 190 Ų | 190 | 166.9 Ų | 166.9 | 88% | 0.88 | 82% | 0.82 | S | S | * | * | trans | -60.9 | 101.9 | 172.3 | -74.6 | -97.2 | 0 | 0 | 0 | 110.1 | Q8 S12 | Q8-H10 PolarHBondContact O-N 3.01Å; H10-S12 PolarHBondContact O-N 2.83Å | ||
| 11 | H | 67.5 | Low | 66.4 | Low | 151 Ų | 151 | 164.4 Ų | 164.4 | 70% | 0.699 | 82% | 0.816 | S | S | * | * | trans | -72.4 | 112.7 | 169.3 | -76.9 | 58.1 | 0 | 0 | 0 | 108.2 | Q9 Y13 | Q9-H11 PolarHBondContact O-N 3.05Å; Q9-H11 PolarHBondContact O-ND1 2.83Å; H11-Y13 PolarHBondContact O-N 3.01Å | ||
| 12 | S | 60.3 | Low | 66.9 | Low | 112 Ų | 112 | 158 Ų | 158 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -59.1 | 108.4 | 173 | 50.2 | 0 | 0 | 0 | 0 | 109.5 | H10 Q14 | H10-S12 PolarHBondContact O-N 2.83Å; S12-Q14 VanDerWaalsContact C-N 3.29Å; S12-Q14 PolarHBondContact O-N 3.28Å | ||
| 13 | Y | 55.3 | Low | 66.7 | Low | 222 Ų | 222 | 154.1 Ų | 154.1 | 87% | 0.871 | 79% | 0.794 | S | S | * | * | trans | -65.7 | 91.4 | 171.7 | -74.9 | -82.7 | 0 | 0 | 0 | 109.3 | H11 Q15 | H11-Y13 PolarHBondContact O-N 3.01Å; Y13-Q15 PolarHBondContact O-N 3.17Å | ||
| 14 | Q | 62.9 | Low | 66.1 | Low | 168 Ų | 168 | 151.5 Ų | 151.5 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -65.8 | 105.1 | 171.5 | -161.9 | 179.5 | 52.2 | 0 | 0 | 107.3 | S12 Q16 | S12-Q14 VanDerWaalsContact C-N 3.29Å; S12-Q14 PolarHBondContact O-N 3.28Å; Q14-Q16 VanDerWaalsContact C-N 3.31Å; Q14-Q16 PolarHBondContact O-N 2.82Å | ||
| 15 | Q | 58.8 | Low | 65.3 | Low | 180 Ų | 180 | 152.6 Ų | 152.6 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | trans | -69.7 | 87.1 | -174.8 | -168.5 | 175.2 | 79.9 | 0 | 0 | 109.1 | Y13 Q17 | Y13-Q15 PolarHBondContact O-N 3.17Å; Q15-Q17 PolarHBondContact O-N 3.17Å | ||
| 16 | Q | 60.2 | Low | 64.6 | Low | 165 Ų | 165 | 151.8 Ų | 151.8 | 77% | 0.771 | 79% | 0.785 | S | S | * | * | trans | -62.9 | 110.6 | 175.2 | -77.1 | -175.9 | -4.3 | 0 | 0 | 108.9 | Q14 Q18 | Q14-Q16 VanDerWaalsContact C-N 3.31Å; Q14-Q16 PolarHBondContact O-N 2.82Å; Q16-Q18 PolarHBondContact O-N 3.09Å | ||
| 17 | Q | 54.7 | Low | 63.9 | Low | 182 Ų | 182 | 150.4 Ų | 150.4 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | trans | -66.3 | 102.4 | 175.4 | -61.8 | 176.1 | 26.3 | 0 | 0 | 107.9 | Q15 | Q15-Q17 PolarHBondContact O-N 3.17Š| ||
| 18 | Q | 51.1 | Low | 63.1 | Low | 178 Ų | 178 | 153.4 Ų | 153.4 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 132.5 | 172.4 | -69.5 | -172.8 | -8.9 | 0 | 0 | 108.8 | Q16 | Q16-Q18 PolarHBondContact O-N 3.09Š|
| 19 | P | 69.7 | Low | 62.8 | Low | 112 Ų | 112 | 150.5 Ų | 150.5 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 144.6 | 175.7 | 26.6 | -33.8 | 0 | 0 | 0 | 109.8 | ||
| 20 | P | 76.3 | Confident | 62.4 | Low | 113 Ų | 113 | 151.8 Ų | 151.8 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 143.6 | 178.5 | 25.9 | -34.3 | 0 | 0 | 0 | 110.3 | ||
| 21 | P | 76.6 | Confident | 61.7 | Low | 115 Ų | 115 | 148 Ų | 148 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 140.9 | 177.1 | 25.7 | -34.1 | 0 | 0 | 0 | 110 | A23 | P21-A23 PolarHBondContact O-N 2.85Å; P21-A23 VanDerWaalsContact O-N 3.17Å |
| 22 | P | 71.1 | Confident | 60.9 | Low | 109 Ų | 109 | 152.4 Ų | 152.4 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -61 | 122.8 | -176.3 | 23.8 | -33.3 | 0 | 0 | 0 | 110.5 | T24 | P22-T24 VanDerWaalsContact C-N 3.3Å; P22-T24 PolarHBondContact O-N 3.38Å; P22-T24 PolarHBondContact O-OG1 2.84Å |
| 23 | A | 57.3 | Low | 60.4 | Low | 110 Ų | 110 | 152.6 Ų | 152.6 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | trans | -65.4 | 89 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | P21 | P21-A23 PolarHBondContact O-N 2.85Å; P21-A23 VanDerWaalsContact O-N 3.17Å | ||
| 24 | T | 59.4 | Low | 59.9 | Low | 102 Ų | 102 | 153.6 Ų | 153.6 | 63% | 0.626 | 79% | 0.792 | S | S | * | * | trans | -108.9 | 115.9 | 176.5 | 29.8 | 0 | 0 | 0 | 0 | 112.3 | P22 | P22-T24 VanDerWaalsContact C-N 3.3Å; P22-T24 PolarHBondContact O-N 3.38Å; P22-T24 PolarHBondContact O-OG1 2.84Å | ||
| 25 | K | 59.6 | Low | 59.2 | Low | 185 Ų | 185 | 151.1 Ų | 151.1 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | 77.5 | 86.5 | 150.9 | -55.7 | 164.8 | -172.5 | 175.6 | 0 | 115.9 | ||||
| 26 | E | 56.5 | Low | 58.5 | Low | 175 Ų | 175 | 151 Ų | 151 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | 30.4 | 101.7 | 121.1 | -73.8 | -79.8 | 117.6 | 0 | 0 | 115.8 | K28 | E26-K28 VanDerWaalsContact C-N 3.29Å; E26-K28 PolarHBondContact O-N 3.1Å | |||
| 27 | P | 61.9 | Low | 57.6 | Low | 125 Ų | 125 | 146 Ų | 146 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | trans | -73.2 | 83.6 | 173.1 | 31.2 | -34 | 0 | 0 | 0 | 110.4 | P29 | P27-P29 WeakPolarHBondContact O-CD 3.42Å; P27-P29 VanDerWaalsContact O-N 3.15Å | ||
| 28 | K | 59.2 | Low | 57.1 | Low | 185 Ų | 185 | 139.7 Ų | 139.7 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | -54.4 | 118.2 | 176 | -154 | 172 | -166.8 | 172.9 | 0 | 109.5 | E26 K30 | E26-K28 VanDerWaalsContact C-N 3.29Å; E26-K28 PolarHBondContact O-N 3.1Å; K28-K30 PolarHBondContact O-N 2.94Å | ||
| 29 | P | 61.9 | Low | 56.7 | Low | 120 Ų | 120 | 135 Ų | 135 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | trans | -68.4 | 103.8 | -175.2 | 25.8 | -33.3 | 0 | 0 | 0 | 109.6 | P27 | P27-P29 WeakPolarHBondContact O-CD 3.42Å; P27-P29 VanDerWaalsContact O-N 3.15Å | ||
| 30 | K | 60.6 | Low | 55.5 | Low | 188 Ų | 188 | 133.5 Ų | 133.5 | 82% | 0.817 | 76% | 0.756 | S | S | * | * | trans | -63.6 | 130.4 | 172.2 | -66.6 | -177.3 | -179.5 | 179.9 | 0 | 108.3 | K28 R32 | K28-K30 PolarHBondContact O-N 2.94Å; K30-R32 PolarHBondContact O-N 3.29Å | ||
| 31 | P | 55.8 | Low | 53.9 | Low | 111 Ų | 111 | 132 Ų | 132 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | trans | -57.7 | 132.2 | 177.4 | 23.8 | -33.1 | 0 | 0 | 0 | 109.3 | T33 | P31-T33 PolarHBondContact O-N 2.83Š| ||
| 32 | R | 49.4 | Very low | 52.4 | Low | 244 Ų | 244 | 130.3 Ų | 130.3 | 92% | 0.921 | 76% | 0.764 | S | S | * | * | trans | -75 | 66.6 | 179.8 | -70.1 | 172.7 | 63.1 | 172 | -0.8 | 110.6 | K30 R34 | K30-R32 PolarHBondContact O-N 3.29Å; R32-R34 PolarHBondContact O-N 2.86Å; R32-R34 VanDerWaalsContact O-N 3.16Å | ||
| 33 | T | 50.4 | Low | 51.4 | Low | 116 Ų | 116 | 128.9 Ų | 128.9 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | trans | -57.6 | 119.3 | 162.2 | 27.6 | 0 | 0 | 0 | 0 | 108.2 | P31 T35 | P31-T33 PolarHBondContact O-N 2.83Å; T33-T35 PolarHBondContact O-N 3.16Å | ||
| 34 | R | 44 | Very low | 51.5 | Low | 242 Ų | 242 | 128.6 Ų | 128.6 | 91% | 0.913 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -81 | 63.8 | -165.2 | -167.7 | -178.1 | 65.6 | -175.4 | -1.3 | 111.9 | R32 | R32-R34 PolarHBondContact O-N 2.86Å; R32-R34 VanDerWaalsContact O-N 3.16Å |
| 35 | T | 48.8 | Very low | 51.8 | Low | 116 Ų | 116 | 126.4 Ų | 126.4 | 71% | 0.712 | 75% | 0.75 | S | S | * | * | trans | -120.1 | 46.1 | 170.9 | 35 | 0 | 0 | 0 | 0 | 111.2 | T33 C37 | T33-T35 PolarHBondContact O-N 3.16Å; T35-C37 PolarHBondContact O-N 3.41Å | ||
| 36 | K | 44.8 | Very low | 52.9 | Low | 179 Ų | 179 | 123.4 Ų | 123.4 | 78% | 0.778 | 74% | 0.737 | S | S | * | * | trans | -69.5 | 84.1 | 163.9 | -174.4 | 82.6 | 175.1 | -172.2 | 0 | 108.9 | G38 R99 | K36-G38 PolarHBondContact O-N 2.88Å; K36-R99 PolarHBondContact O-NH1 2.97Å | ||
| 37 | C | 40.2 | Very low | 54.6 | Low | 58 Ų | 58 | 117.1 Ų | 117.1 | 39% | 0.392 | 71% | 0.707 | S | S | . | * | trans | -71.8 | 114.7 | 157.5 | -65.8 | 0 | 0 | 0 | 0 | 107.4 | T35 V48 | T35-C37 PolarHBondContact O-N 3.41Å; C37-V48 HydrophobicContact CB-CG2 3.98Å | ||
| 38 | G | 45.1 | Very low | 56 | Low | 50 Ų | 50 | 113.3 Ų | 113.3 | 52% | 0.515 | 68% | 0.681 | S | S | . | * | trans | -72.4 | 150 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | K36 | K36-G38 PolarHBondContact O-N 2.88Š| ||
| 39 | G | 42.7 | Very low | 57.5 | Low | 79 Ų | 79 | 105.9 Ų | 105.9 | 81% | 0.814 | 66% | 0.657 | S | S | * | * | cis | 153.3 | 119.7 | -1.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 40 | G | 43.6 | Very low | 59.1 | Low | 81 Ų | 81 | 100.7 Ų | 100.7 | 84% | 0.835 | 62% | 0.623 | S | S | * | * | trans | 138.1 | 90.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 41 | G | 43.8 | Very low | 60.6 | Low | 82 Ų | 82 | 96.2 Ų | 96.2 | 85% | 0.845 | 60% | 0.601 | S | S | * | * | S | Bend | trans | 81 | 117.9 | 148.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||
| 42 | G | 44.8 | Very low | 62.5 | Low | 79 Ų | 79 | 95.6 Ų | 95.6 | 81% | 0.814 | 59% | 0.588 | S | S | * | * | trans | 84 | 117 | 160.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 43 | G | 50 | Low | 64.5 | Low | 79 Ų | 79 | 91.4 Ų | 91.4 | 81% | 0.814 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -73.9 | 135.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 44 | S | 59.2 | Low | 66.6 | Low | 104 Ų | 104 | 92.6 Ų | 92.6 | 73% | 0.727 | 58% | 0.583 | S | S | * | * | trans | 166.7 | -20.4 | 143.5 | 45.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 45 | S | 65 | Low | 68.8 | Low | 56 Ų | 56 | 85.1 Ų | 85.1 | 39% | 0.392 | 57% | 0.567 | S | S | . | * | trans | -82.1 | 123.1 | -178.4 | -163.9 | 0 | 0 | 0 | 0 | 113.3 | F47 V50 | S45-F47 PolarHBondContact OG-O 3.16Å; S45-V50 WeakPolarHBondContact CB-O 3.45Å; S45-V50 PolarHBondContact OG-O 2.77Å | ||
| 46 | K | 84.3 | Confident | 70.9 | Confident | 123 Ų | 123 | 81.3 Ų | 81.3 | 54% | 0.535 | 55% | 0.551 | S | S | . | * | trans | -80.4 | -13.4 | 178.8 | 52.4 | 174.7 | 170.8 | 176.9 | 0 | 114.7 | E80 | K46-E80 WeakPolarHBondContact CE-OE1 3.48Å; K46-E80 IonicContact NZ-OE1 2.6Å; K46-E80 PolarHBondContact NZ-OE1 2.6Å; K46-E80 IonicContact NZ-OE2 3.69Å | ||
| 47 | F | 91.7 | Very high | 73.2 | Confident | 42 Ų | 42 | 78.1 Ų | 78.1 | 18% | 0.184 | 53% | 0.534 | C | S | . | . | S | Bend | trans | -130.7 | 144.6 | -175.8 | -58.2 | -55.5 | 0 | 0 | 0 | 112.1 | S45 V50 A79 E80 A83 N101 F102 | S45-F47 PolarHBondContact OG-O 3.16Å; F47-V50 HydrophobicContact CB-CB 4.29Å; F47-V50 HydrophobicContact CB-CG2 4.01Å; F47-A79 HydrophobicContact CD2-CB 3.9Å; F47-A79 WeakPolarHBondContact CD2-O 3.47Å; F47-A79 HydrophobicContact CE2-CB 3.92Å; F47-E80 HydrophobicContact CE2-CG 4.01Å; F47-E80 HydrophobicContact CZ-CG 4.15Å; F47-A83 HydrophobicContact CB-CB 3.59Å; F47-A83 HydrophobicContact CD1-CB 4.25Å; F47-A83 HydrophobicContact CD2-CB 3.66Å; F47-A83 HydrophobicContact CE2-CB 4.39Å; F47-A83 HydrophobicContact CG-CB 3.59Å; F47-N101 HydrophobicContact CD1-CB 4.31Å; F47-F102 HydrophobicContact CE1-CE1 4.2Å; F47-F102 HydrophobicContact CE1-CZ 4.08Å; F47-F102 HydrophobicContact CE2-CZ 4.48Å; F47-F102 HydrophobicContact CZ-CE1 4.32Å; F47-F102 HydrophobicContact CZ-CZ 4.05Å |
| 48 | V | 90.9 | Very high | 75.9 | Confident | 46 Ų | 46 | 77.2 Ų | 77.2 | 28% | 0.279 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 135 | 175.9 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | C37 V50 Y86 N101 | C37-V48 HydrophobicContact CB-CG2 3.98Å; V48-V50 VanDerWaalsContact C-N 3.26Å; V48-V50 PolarHBondContact O-N 2.94Å; V48-Y86 HydrophobicContact CB-CE1 4.42Å; V48-Y86 HydrophobicContact CG1-CE1 3.88Å; V48-Y86 WeakPolarHBondContact O-CD1 3.33Å; V48-N101 WeakPolarHBondContact CB-OD1 3.36Å; V48-N101 PolarHBondContact N-OD1 3.14Å; V48-N101 PolarHBondContact O-ND2 2.81Å |
| 49 | G | 91.2 | Very high | 78.2 | Confident | 29 Ų | 29 | 75.2 Ų | 75.2 | 30% | 0.299 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 0 | 177 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 50 | V | 93.9 | Very high | 80.7 | Confident | 11 Ų | 11 | 71.4 Ų | 71.4 | 7% | 0.067 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 132.2 | -179.5 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | S45 F47 V48 W58 A82 A83 | S45-V50 WeakPolarHBondContact CB-O 3.45Å; S45-V50 PolarHBondContact OG-O 2.77Å; F47-V50 HydrophobicContact CB-CB 4.29Å; F47-V50 HydrophobicContact CB-CG2 4.01Å; V48-V50 VanDerWaalsContact C-N 3.26Å; V48-V50 PolarHBondContact O-N 2.94Å; V50-W58 HydrophobicContact CG1-CB 4.35Å; V50-W58 HydrophobicContact CG1-CD2 4.43Å; V50-W58 HydrophobicContact CG1-CE3 3.61Å; V50-W58 HydrophobicContact CG1-CZ3 4.33Å; V50-A82 HydrophobicContact CB-CB 4.42Å; V50-A82 HydrophobicContact CG1-CB 3.83Å; V50-A82 HydrophobicContact CG2-CB 3.72Å; V50-A83 HydrophobicContact CG2-CB 3.86Å |
| 51 | R | 94.1 | Very high | 83.1 | Confident | 93 Ų | 93 | 71.5 Ų | 71.5 | 35% | 0.351 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 146.5 | 172.5 | 59.7 | 179.7 | 175 | 73.3 | -1.5 | 111.5 | V59 E61 | R51-V59 HydrophobicContact CG-CB 4.08Å; R51-V59 PolarHBondContact N-O 3.29Å; R51-V59 PolarHBondContact O-N 2.68Å; R51-E61 IonicContact CZ-OE1 3.69Å; R51-E61 IonicContact CZ-OE2 3.42Å; R51-E61 IonicContact NE-OE1 2.92Å; R51-E61 PolarHBondContact NE-OE1 3.3Å; R51-E61 IonicContact NE-OE2 3.37Å; R51-E61 PolarHBondContact NE-OE2 3.45Å; R51-E61 IonicContact NH2-OE1 3.53Å; R51-E61 IonicContact NH2-OE2 2.9Å; R51-E61 PolarHBondContact NH2-OE2 2.8Å |
| 52 | Q | 93.8 | Very high | 85.5 | Confident | 98 Ų | 98 | 67.9 Ų | 67.9 | 46% | 0.458 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 138.3 | 174.2 | -158.4 | 174.8 | 17.9 | 0 | 0 | 110 | G56 W58 | Q52-G56 PolarHBondContact NE2-O 2.86Å; Q52-W58 HydrophobicContact CB-CE3 3.94Å; Q52-W58 HydrophobicContact CB-CH2 4.32Å; Q52-W58 HydrophobicContact CB-CZ3 3.83Å; Q52-W58 HydrophobicContact CG-CD2 4.3Å; Q52-W58 HydrophobicContact CG-CE3 4.16Å; Q52-W58 HydrophobicContact CG-CH2 4.26Å; Q52-W58 HydrophobicContact CG-CZ2 4.36Å; Q52-W58 HydrophobicContact CG-CZ3 4.16Å |
| 53 | R | 92.3 | Very high | 87.8 | Confident | 156 Ų | 156 | 71 Ų | 71 | 59% | 0.589 | 39% | 0.393 | S | S | * | . | trans | -97.9 | 152 | 170.8 | -179.4 | 171.6 | -92 | -122.1 | -4.2 | 108.7 | S55 G56 R57 | R53-S55 PolarHBondContact O-N 3.41Å; R53-G56 PolarHBondContact O-N 2.92Å; R53-R57 PolarHBondContact N-O 2.88Å; R53-R57 VanDerWaalsContact N-O 3.16Å | ||
| 54 | P | 93.4 | Very high | 89.7 | Confident | 142 Ų | 142 | 67.4 Ų | 67.4 | 92% | 0.922 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | -21 | 172.2 | 14.6 | -32.4 | 0 | 0 | 0 | 115.6 | G56 | P54-G56 PolarHBondContact O-N 2.98Å; P54-G56 VanDerWaalsContact O-N 3.14Å |
| 55 | S | 91.3 | Very high | 91.1 | Very high | 85 Ų | 85 | 67.9 Ų | 67.9 | 59% | 0.594 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -2.5 | 167.9 | 169.6 | 0 | 0 | 0 | 0 | 114.7 | R53 R57 | R53-S55 PolarHBondContact O-N 3.41Å; S55-R57 PolarHBondContact O-N 3.37Å; S55-R57 VanDerWaalsContact O-N 3.14Å |
| 56 | G | 92.1 | Very high | 92.2 | Very high | 36 Ų | 36 | 70.2 Ų | 70.2 | 37% | 0.371 | 37% | 0.365 | S | S | . | . | S | Bend | trans | 81.4 | -27.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q52 R53 P54 | Q52-G56 PolarHBondContact NE2-O 2.86Å; R53-G56 PolarHBondContact O-N 2.92Å; P54-G56 PolarHBondContact O-N 2.98Å; P54-G56 VanDerWaalsContact O-N 3.14Å |
| 57 | R | 94.7 | Very high | 92.3 | Very high | 111 Ų | 111 | 67.4 Ų | 67.4 | 42% | 0.419 | 35% | 0.354 | S | S | . | . | trans | -64.7 | 144.2 | -179.4 | -57.6 | -167.1 | 77 | -166.5 | 3.9 | 112.9 | R53 S55 T75 | R53-R57 PolarHBondContact N-O 2.88Å; R53-R57 VanDerWaalsContact N-O 3.16Å; S55-R57 PolarHBondContact O-N 3.37Å; S55-R57 VanDerWaalsContact O-N 3.14Å; R57-T75 PolarHBondContact NH1-OG1 2.88Å; R57-T75 PolarHBondContact NH2-OG1 3.42Å | ||
| 58 | W | 95.3 | Very high | 92.1 | Very high | 39 Ų | 39 | 74.4 Ų | 74.4 | 15% | 0.148 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 143 | 176.3 | -56.7 | 88.7 | 0 | 0 | 0 | 110.1 | V50 Q52 T75 F76 A79 A82 | V50-W58 HydrophobicContact CG1-CB 4.35Å; V50-W58 HydrophobicContact CG1-CD2 4.43Å; V50-W58 HydrophobicContact CG1-CE3 3.61Å; V50-W58 HydrophobicContact CG1-CZ3 4.33Å; Q52-W58 HydrophobicContact CB-CE3 3.94Å; Q52-W58 HydrophobicContact CB-CH2 4.32Å; Q52-W58 HydrophobicContact CB-CZ3 3.83Å; Q52-W58 HydrophobicContact CG-CD2 4.3Å; Q52-W58 HydrophobicContact CG-CE3 4.16Å; Q52-W58 HydrophobicContact CG-CH2 4.26Å; Q52-W58 HydrophobicContact CG-CZ2 4.36Å; Q52-W58 HydrophobicContact CG-CZ3 4.16Å; W58-T75 CarbonylContact O-C 3.51Å; W58-T75 VanDerWaalsContact O-CA 3.32Å; W58-T75 WeakPolarHBondContact O-CA 3.4Å; W58-F76 PolarHBondContact N-O 3.48Å; W58-F76 PolarHBondContact O-N 3.14Å; W58-A79 HydrophobicContact CD2-CB 3.64Å; W58-A79 HydrophobicContact CE3-CB 3.75Å; W58-A79 HydrophobicContact CG-CB 4.24Å; W58-A79 HydrophobicContact CH2-CB 4.02Å; W58-A79 HydrophobicContact CZ2-CB 3.94Å; W58-A79 HydrophobicContact CZ3-CB 3.93Å; W58-A82 HydrophobicContact CB-CB 4.08Å |
| 59 | V | 94.6 | Very high | 92.1 | Very high | 8 Ų | 8 | 72.8 Ų | 72.8 | 5% | 0.048 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 135.5 | 179 | -169.3 | 0 | 0 | 0 | 0 | 108.9 | R51 T75 | R51-V59 HydrophobicContact CG-CB 4.08Å; R51-V59 PolarHBondContact N-O 3.29Å; R51-V59 PolarHBondContact O-N 2.68Å; V59-T75 HydrophobicContact CG1-CG2 4.2Å; V59-T75 HydrophobicContact CG2-CG2 3.94Å |
| 60 | A | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 135.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | L73 G74 F76 A82 | A60-L73 HydrophobicContact CB-CB 4.28Å; A60-L73 HydrophobicContact CB-CD1 4.07Å; A60-L73 WeakPolarHBondContact O-CB 3.45Å; A60-L73 PolarHBondContact O-N 3.2Å; A60-L73 VanDerWaalsContact O-N 3.07Å; A60-G74 PolarHBondContact N-O 3.39Å; A60-G74 PolarHBondContact O-N 2.96Å; A60-F76 HydrophobicContact CB-CD2 4.4Å; A60-F76 HydrophobicContact CB-CE2 3.99Å; A60-A82 HydrophobicContact CB-CB 4.14Å; A60-A82 WeakPolarHBondContact CB-O 3.45Å |
| 61 | E | 93.9 | Very high | 92.2 | Very high | 83 Ų | 83 | 80.8 Ų | 80.8 | 39% | 0.388 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 147.9 | 178.6 | 63.2 | -157.4 | -169.6 | 0 | 0 | 109 | R51 V71 | R51-E61 IonicContact CZ-OE1 3.69Å; R51-E61 IonicContact CZ-OE2 3.42Å; R51-E61 IonicContact NE-OE1 2.92Å; R51-E61 PolarHBondContact NE-OE1 3.3Å; R51-E61 IonicContact NE-OE2 3.37Å; R51-E61 PolarHBondContact NE-OE2 3.45Å; R51-E61 IonicContact NH2-OE1 3.53Å; R51-E61 IonicContact NH2-OE2 2.9Å; R51-E61 PolarHBondContact NH2-OE2 2.8Å; E61-V71 WeakPolarHBondContact CA-O 3.45Å |
| 62 | I | 93.5 | Very high | 92.1 | Very high | 5 Ų | 5 | 83.9 Ų | 83.9 | 3% | 0.026 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 134 | 179.1 | -168.1 | 157.4 | 0 | 0 | 0 | 110.4 | R70 V71 L73 Y86 A89 A90 L93 | I62-R70 WeakPolarHBondContact O-CA 3.5Å; I62-V71 HydrophobicContact CG2-CB 3.86Å; I62-V71 HydrophobicContact CG2-CG2 4.25Å; I62-V71 PolarHBondContact N-O 2.89Å; I62-V71 PolarHBondContact O-N 2.96Å; I62-L73 HydrophobicContact CB-CD1 4.44Å; I62-L73 HydrophobicContact CG2-CD1 4.47Å; I62-L73 HydrophobicContact CG2-CD2 3.89Å; I62-L73 HydrophobicContact CG2-CG 4.42Å; I62-Y86 HydrophobicContact CB-CD2 4.23Å; I62-Y86 HydrophobicContact CB-CE2 3.91Å; I62-Y86 HydrophobicContact CD1-CD2 4.37Å; I62-Y86 HydrophobicContact CD1-CE2 3.87Å; I62-Y86 HydrophobicContact CG1-CE2 3.82Å; I62-A89 HydrophobicContact CD1-CB 4.31Å; I62-A89 HydrophobicContact CG2-CB 4.15Å; I62-A90 HydrophobicContact CD1-CB 3.74Å; I62-L93 HydrophobicContact CD1-CD1 4.03Å; I62-L93 HydrophobicContact CG1-CD1 4.1Å; I62-L93 HydrophobicContact CG2-CD1 3.65Å |
| 63 | K | 93.9 | Very high | 92.1 | Very high | 146 Ų | 146 | 79.5 Ų | 79.5 | 64% | 0.635 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 106.4 | 174 | 175.7 | -177.9 | 177.6 | -176.6 | 0 | 106.5 | R70 | K63-R70 HydrophobicContact CG-CG 4.39Å |
| 64 | D | 89.3 | Confident | 92.2 | Very high | 3 Ų | 3 | 72.8 Ų | 72.8 | 2% | 0.016 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 120.5 | 173.8 | -157.2 | -60 | 0 | 0 | 0 | 109.8 | T66 K68 V69 L93 R94 | D64-T66 VanDerWaalsContact C-N 3.29Å; D64-T66 WeakPolarHBondContact OD1-CA 3.32Å; D64-T66 WeakPolarHBondContact OD1-CB 3.38Å; D64-T66 PolarHBondContact OD1-N 2.83Å; D64-T66 PolarHBondContact OD1-OG1 2.91Å; D64-K68 WeakPolarHBondContact O-CA 3.32Å; D64-K68 PolarHBondContact O-N 3.24Å; D64-K68 VanDerWaalsContact O-N 3.1Å; D64-V69 PolarHBondContact N-O 2.84Å; D64-V69 VanDerWaalsContact N-O 3.08Å; D64-V69 PolarHBondContact O-N 3.12Å; D64-L93 HydrophobicContact CB-CD1 4.34Å; D64-R94 IonicContact OD2-CZ 2.68Å; D64-R94 IonicContact OD2-NE 3.68Å; D64-R94 IonicContact OD2-NH2 3.58Å; D64-R94 PolarHBondContact OD2-NH2 3.45Å |
| 65 | T | 89.3 | Confident | 92.4 | Very high | 113 Ų | 113 | 68.6 Ų | 68.6 | 69% | 0.693 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -25.5 | 178.6 | 48 | 0 | 0 | 0 | 0 | 112.6 | ||
| 66 | T | 88.1 | Confident | 92.5 | Very high | 106 Ų | 106 | 67 Ų | 67 | 65% | 0.65 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -49.5 | -178.1 | -32.3 | 0 | 0 | 0 | 0 | 110.4 | D64 K68 | D64-T66 VanDerWaalsContact C-N 3.29Å; D64-T66 WeakPolarHBondContact OD1-CA 3.32Å; D64-T66 WeakPolarHBondContact OD1-CB 3.38Å; D64-T66 PolarHBondContact OD1-N 2.83Å; D64-T66 PolarHBondContact OD1-OG1 2.91Å; T66-K68 VanDerWaalsContact C-N 3.33Å |
| 67 | Q | 85.1 | Confident | 92.6 | Very high | 64 Ų | 64 | 73.1 Ų | 73.1 | 30% | 0.299 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -11.7 | 178.4 | -57.6 | -61.9 | -11 | 0 | 0 | 112.8 | V69 L93 L120 N123 | Q67-V69 HydrophobicContact CB-CB 4.28Å; Q67-V69 HydrophobicContact CB-CG2 3.92Å; Q67-V69 WeakPolarHBondContact O-CG2 3.47Å; Q67-V69 PolarHBondContact O-N 3.34Å; Q67-L93 HydrophobicContact CG-CD2 4.44Å; Q67-L93 PolarHBondContact NE2-O 3.39Å; Q67-L120 HydrophobicContact CG-CD1 4.43Å; Q67-N123 PolarHBondContact O-ND2 3.19Å; Q67-N123 VanDerWaalsContact O-ND2 3.12Å |
| 68 | K | 89.2 | Confident | 92.7 | Very high | 188 Ų | 188 | 70.9 Ų | 70.9 | 82% | 0.817 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 22.6 | -169.4 | -56.1 | 179.6 | 179 | -178.9 | 0 | 113.8 | D64 T66 | D64-K68 WeakPolarHBondContact O-CA 3.32Å; D64-K68 PolarHBondContact O-N 3.24Å; D64-K68 VanDerWaalsContact O-N 3.1Å; T66-K68 VanDerWaalsContact C-N 3.33Å |
| 69 | V | 90.1 | Very high | 92.6 | Very high | 12 Ų | 12 | 69.1 Ų | 69.1 | 7% | 0.073 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 140.6 | -177.7 | 179.9 | 0 | 0 | 0 | 0 | 111.1 | D64 Q67 V71 I119 | D64-V69 PolarHBondContact N-O 2.84Å; D64-V69 VanDerWaalsContact N-O 3.08Å; D64-V69 PolarHBondContact O-N 3.12Å; Q67-V69 HydrophobicContact CB-CB 4.28Å; Q67-V69 HydrophobicContact CB-CG2 3.92Å; Q67-V69 WeakPolarHBondContact O-CG2 3.47Å; Q67-V69 PolarHBondContact O-N 3.34Å; V69-V71 HydrophobicContact CG1-CG2 3.51Å; V69-I119 HydrophobicContact CG1-CG2 3.62Å; V69-I119 HydrophobicContact CG2-CG2 4.4Å |
| 70 | R | 93.1 | Very high | 92.5 | Very high | 203 Ų | 203 | 71.8 Ų | 71.8 | 77% | 0.766 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 123.8 | 165.4 | -57 | -178.3 | -169.1 | -177.6 | 5.6 | 108.2 | I62 K63 | I62-R70 WeakPolarHBondContact O-CA 3.5Å; K63-R70 HydrophobicContact CG-CG 4.39Å |
| 71 | V | 93 | Very high | 92.5 | Very high | 6 Ų | 6 | 72.8 Ų | 72.8 | 4% | 0.036 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 122.7 | 176.2 | -166 | 0 | 0 | 0 | 0 | 109.9 | E61 I62 V69 L73 I116 I119 | E61-V71 WeakPolarHBondContact CA-O 3.45Å; I62-V71 HydrophobicContact CG2-CB 3.86Å; I62-V71 HydrophobicContact CG2-CG2 4.25Å; I62-V71 PolarHBondContact N-O 2.89Å; I62-V71 PolarHBondContact O-N 2.96Å; V69-V71 HydrophobicContact CG1-CG2 3.51Å; V71-L73 HydrophobicContact CB-CD2 4.15Å; V71-L73 HydrophobicContact CG1-CD2 3.97Å; V71-I116 HydrophobicContact CG1-CG1 4.17Å; V71-I119 HydrophobicContact CG1-CD1 3.98Å; V71-I119 HydrophobicContact CG2-CD1 4.11Å |
| 72 | W | 93.5 | Very high | 92.5 | Very high | 158 Ų | 158 | 68.9 Ų | 68.9 | 60% | 0.598 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 115.3 | 165.4 | 176.3 | 47.9 | 0 | 0 | 0 | 109.1 | T75 R115 | W72-T75 HydrophobicContact CZ2-CG2 4.11Å; W72-R115 PolarHBondContact O-NH2 3.46Å |
| 73 | L | 93.8 | Very high | 92.5 | Very high | 6 Ų | 6 | 68.6 Ų | 68.6 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | -48.8 | -171.8 | -52.2 | 176.7 | 0 | 0 | 0 | 109.7 | A60 I62 V71 Y86 A89 L112 R115 I116 | A60-L73 HydrophobicContact CB-CB 4.28Å; A60-L73 HydrophobicContact CB-CD1 4.07Å; A60-L73 WeakPolarHBondContact O-CB 3.45Å; A60-L73 PolarHBondContact O-N 3.2Å; A60-L73 VanDerWaalsContact O-N 3.07Å; I62-L73 HydrophobicContact CB-CD1 4.44Å; I62-L73 HydrophobicContact CG2-CD1 4.47Å; I62-L73 HydrophobicContact CG2-CD2 3.89Å; I62-L73 HydrophobicContact CG2-CG 4.42Å; V71-L73 HydrophobicContact CB-CD2 4.15Å; V71-L73 HydrophobicContact CG1-CD2 3.97Å; L73-Y86 HydrophobicContact CD1-CD2 4.18Å; L73-A89 HydrophobicContact CD1-CB 3.79Å; L73-A89 HydrophobicContact CD2-CB 3.48Å; L73-A89 VanDerWaalsContact CD2-CB 3.48Å; L73-A89 HydrophobicContact CG-CB 4.3Å; L73-L112 HydrophobicContact CB-CD1 4.19Å; L73-L112 HydrophobicContact CB-CD2 4.29Å; L73-L112 HydrophobicContact CD2-CD1 3.88Å; L73-L112 HydrophobicContact CD2-CD2 4.26Å; L73-L112 HydrophobicContact CD2-CG 4.46Å; L73-R115 PolarHBondContact O-NH1 3.16Å; L73-I116 HydrophobicContact CD2-CD1 4.1Å |
| 74 | G | 94.8 | Very high | 92.5 | Very high | 14 Ų | 14 | 67.7 Ų | 67.7 | 14% | 0.144 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.2 | -169.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A60 | A60-G74 PolarHBondContact N-O 3.39Å; A60-G74 PolarHBondContact O-N 2.96Å |
| 75 | T | 95.7 | Very high | 92.7 | Very high | 54 Ų | 54 | 67.8 Ų | 67.8 | 33% | 0.331 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 134.4 | 169.5 | 58.6 | 0 | 0 | 0 | 0 | 109.9 | R57 W58 V59 W72 | R57-T75 PolarHBondContact NH1-OG1 2.88Å; R57-T75 PolarHBondContact NH2-OG1 3.42Å; W58-T75 CarbonylContact O-C 3.51Å; W58-T75 VanDerWaalsContact O-CA 3.32Å; W58-T75 WeakPolarHBondContact O-CA 3.4Å; V59-T75 HydrophobicContact CG1-CG2 4.2Å; V59-T75 HydrophobicContact CG2-CG2 3.94Å; W72-T75 HydrophobicContact CZ2-CG2 4.11Å |
| 76 | F | 95 | Very high | 93 | Very high | 51 Ų | 51 | 64.3 Ų | 64.3 | 22% | 0.224 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 155.5 | -170.5 | -55.6 | -91.6 | 0 | 0 | 0 | 110.4 | W58 A60 A81 A82 A85 | W58-F76 PolarHBondContact N-O 3.48Å; W58-F76 PolarHBondContact O-N 3.14Å; A60-F76 HydrophobicContact CB-CD2 4.4Å; A60-F76 HydrophobicContact CB-CE2 3.99Å; F76-A81 HydrophobicContact CB-CB 4.3Å; F76-A81 HydrophobicContact CD1-CB 3.96Å; F76-A81 HydrophobicContact CG-CB 4.38Å; F76-A82 HydrophobicContact CB-CB 4.05Å; F76-A82 VanDerWaalsContact CD2-CA 3.49Å; F76-A82 HydrophobicContact CD2-CB 3.64Å; F76-A82 HydrophobicContact CE2-CB 4.43Å; F76-A82 HydrophobicContact CG-CB 4.03Å; F76-A85 HydrophobicContact CE1-CB 4Å; F76-A85 HydrophobicContact CE2-CB 3.94Å; F76-A85 HydrophobicContact CZ-CB 3.37Å |
| 77 | E | 94.4 | Very high | 93.2 | Very high | 166 Ų | 166 | 59.5 Ų | 59.5 | 78% | 0.776 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -82.8 | -25.7 | 176.9 | -69.6 | 164.4 | -167 | 0 | 0 | 112.2 | ||
| 78 | T | 95 | Very high | 93.6 | Very high | 64 Ų | 64 | 58 Ų | 58 | 39% | 0.393 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -116.1 | 146.4 | 176.7 | 60.2 | 0 | 0 | 0 | 0 | 111.5 | E80 A81 A82 | T78-E80 PolarHBondContact O-N 3.06Å; T78-A81 WeakPolarHBondContact OG1-CB 3.47Å; T78-A81 PolarHBondContact OG1-N 3.41Å; T78-A82 PolarHBondContact O-N 3.01Å |
| 79 | A | 94 | Very high | 93.8 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.2 | -33.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | F47 W58 A82 A83 | F47-A79 HydrophobicContact CD2-CB 3.9Å; F47-A79 WeakPolarHBondContact CD2-O 3.47Å; F47-A79 HydrophobicContact CE2-CB 3.92Å; W58-A79 HydrophobicContact CD2-CB 3.64Å; W58-A79 HydrophobicContact CE3-CB 3.75Å; W58-A79 HydrophobicContact CG-CB 4.24Å; W58-A79 HydrophobicContact CH2-CB 4.02Å; W58-A79 HydrophobicContact CZ2-CB 3.94Å; W58-A79 HydrophobicContact CZ3-CB 3.93Å; A79-A82 WeakPolarHBondContact O-CB 3.28Å; A79-A82 PolarHBondContact O-N 2.77Å; A79-A83 VanDerWaalsContact O-CB 3.32Å; A79-A83 WeakPolarHBondContact O-CB 3.43Å; A79-A83 PolarHBondContact O-N 2.94Å |
| 80 | E | 93.6 | Very high | 93.9 | Very high | 64 Ų | 64 | 48.7 Ų | 48.7 | 30% | 0.299 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66 | -44 | 179.6 | -69.6 | 66.4 | -153.7 | 0 | 0 | 111.5 | K46 F47 T78 A83 R84 F102 | K46-E80 WeakPolarHBondContact CE-OE1 3.48Å; K46-E80 IonicContact NZ-OE1 2.6Å; K46-E80 PolarHBondContact NZ-OE1 2.6Å; K46-E80 IonicContact NZ-OE2 3.69Å; F47-E80 HydrophobicContact CE2-CG 4.01Å; F47-E80 HydrophobicContact CZ-CG 4.15Å; T78-E80 PolarHBondContact O-N 3.06Å; E80-A83 PolarHBondContact O-N 2.99Å; E80-R84 WeakPolarHBondContact O-CG 3.19Å; E80-R84 PolarHBondContact O-N 2.92Å; E80-F102 HydrophobicContact CB-CZ 4.43Å |
| 81 | A | 93.5 | Very high | 93.8 | Very high | 22 Ų | 22 | 40.3 Ų | 40.3 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67 | -40.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F76 T78 A83 R84 A85 | F76-A81 HydrophobicContact CB-CB 4.3Å; F76-A81 HydrophobicContact CD1-CB 3.96Å; F76-A81 HydrophobicContact CG-CB 4.38Å; T78-A81 WeakPolarHBondContact OG1-CB 3.47Å; T78-A81 PolarHBondContact OG1-N 3.41Å; A81-A83 VanDerWaalsContact C-N 3.33Å; A81-A83 PolarHBondContact O-N 3.4Å; A81-R84 PolarHBondContact O-N 2.68Å; A81-A85 PolarHBondContact O-N 3.22Å |
| 82 | A | 94.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.4 | -43.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | V50 W58 A60 F76 T78 A79 A85 Y86 | V50-A82 HydrophobicContact CB-CB 4.42Å; V50-A82 HydrophobicContact CG1-CB 3.83Å; V50-A82 HydrophobicContact CG2-CB 3.72Å; W58-A82 HydrophobicContact CB-CB 4.08Å; A60-A82 HydrophobicContact CB-CB 4.14Å; A60-A82 WeakPolarHBondContact CB-O 3.45Å; F76-A82 HydrophobicContact CB-CB 4.05Å; F76-A82 VanDerWaalsContact CD2-CA 3.49Å; F76-A82 HydrophobicContact CD2-CB 3.64Å; F76-A82 HydrophobicContact CE2-CB 4.43Å; F76-A82 HydrophobicContact CG-CB 4.03Å; T78-A82 PolarHBondContact O-N 3.01Å; A79-A82 WeakPolarHBondContact O-CB 3.28Å; A79-A82 PolarHBondContact O-N 2.77Å; A82-A85 PolarHBondContact O-N 3.25Å; A82-Y86 PolarHBondContact O-N 3.42Å |
| 83 | A | 94.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.1 | -37.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F47 V50 A79 E80 A81 Y86 D87 N101 F102 | F47-A83 HydrophobicContact CB-CB 3.59Å; F47-A83 HydrophobicContact CD1-CB 4.25Å; F47-A83 HydrophobicContact CD2-CB 3.66Å; F47-A83 HydrophobicContact CE2-CB 4.39Å; F47-A83 HydrophobicContact CG-CB 3.59Å; V50-A83 HydrophobicContact CG2-CB 3.86Å; A79-A83 VanDerWaalsContact O-CB 3.32Å; A79-A83 WeakPolarHBondContact O-CB 3.43Å; A79-A83 PolarHBondContact O-N 2.94Å; E80-A83 PolarHBondContact O-N 2.99Å; A81-A83 VanDerWaalsContact C-N 3.33Å; A81-A83 PolarHBondContact O-N 3.4Å; A83-Y86 WeakPolarHBondContact O-CB 3.36Å; A83-Y86 PolarHBondContact O-N 2.68Å; A83-D87 VanDerWaalsContact O-CG 3.3Å; A83-D87 PolarHBondContact O-N 3.08Å; A83-N101 HydrophobicContact CB-CB 4.39Å; A83-F102 HydrophobicContact CB-CE2 3.53Å; A83-F102 HydrophobicContact CB-CZ 3.97Å |
| 84 | R | 93.4 | Very high | 93.3 | Very high | 126 Ų | 126 | 41.7 Ų | 41.7 | 48% | 0.475 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.8 | -43.3 | 174.2 | -76.1 | -169.4 | -61.4 | -89.3 | 5.1 | 111.8 | E80 A81 Y86 D87 E88 F102 | E80-R84 WeakPolarHBondContact O-CG 3.19Å; E80-R84 PolarHBondContact O-N 2.92Å; A81-R84 PolarHBondContact O-N 2.68Å; R84-Y86 VanDerWaalsContact C-N 3.28Å; R84-Y86 PolarHBondContact O-N 2.9Å; R84-D87 PolarHBondContact O-N 3.39Å; R84-E88 WeakPolarHBondContact O-CG 3.35Å; R84-E88 PolarHBondContact O-N 3.41Å; R84-F102 HydrophobicContact CB-CE2 4.37Å; R84-F102 HydrophobicContact CG-CD2 3.58Å; R84-F102 HydrophobicContact CG-CE2 3.51Å; R84-F102 HydrophobicContact CG-CZ 4.4Å |
| 85 | A | 93.7 | Very high | 93 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 5% | 0.05 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.1 | -36.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F76 A81 A82 A89 L112 | F76-A85 HydrophobicContact CE1-CB 4Å; F76-A85 HydrophobicContact CE2-CB 3.94Å; F76-A85 HydrophobicContact CZ-CB 3.37Å; A81-A85 PolarHBondContact O-N 3.22Å; A82-A85 PolarHBondContact O-N 3.25Å; A85-A89 WeakPolarHBondContact O-CB 3.43Å; A85-A89 PolarHBondContact O-N 3.34Å; A85-A89 VanDerWaalsContact O-N 3.12Å; A85-L112 HydrophobicContact CB-CD2 3.89Å; A85-L112 WeakPolarHBondContact O-CD2 3.5Å |
| 86 | Y | 94.8 | Very high | 92.4 | Very high | 40 Ų | 40 | 44.9 Ų | 44.9 | 16% | 0.157 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.7 | -43.8 | 172.4 | -175.6 | -92.2 | 0 | 0 | 0 | 112.3 | V48 I62 L73 A82 A83 R84 A89 A90 | V48-Y86 HydrophobicContact CB-CE1 4.42Å; V48-Y86 HydrophobicContact CG1-CE1 3.88Å; V48-Y86 WeakPolarHBondContact O-CD1 3.33Å; I62-Y86 HydrophobicContact CB-CD2 4.23Å; I62-Y86 HydrophobicContact CB-CE2 3.91Å; I62-Y86 HydrophobicContact CD1-CD2 4.37Å; I62-Y86 HydrophobicContact CD1-CE2 3.87Å; I62-Y86 HydrophobicContact CG1-CE2 3.82Å; L73-Y86 HydrophobicContact CD1-CD2 4.18Å; A82-Y86 PolarHBondContact O-N 3.42Å; A83-Y86 WeakPolarHBondContact O-CB 3.36Å; A83-Y86 PolarHBondContact O-N 2.68Å; R84-Y86 VanDerWaalsContact C-N 3.28Å; R84-Y86 PolarHBondContact O-N 2.9Å; Y86-A89 PolarHBondContact O-N 3.37Å; Y86-A90 HydrophobicContact CD1-CB 4.49Å; Y86-A90 HydrophobicContact CE1-CB 4.26Å; Y86-A90 VanDerWaalsContact O-CB 3.25Å; Y86-A90 WeakPolarHBondContact O-CB 3.38Å; Y86-A90 PolarHBondContact O-N 2.68Å |
| 87 | D | 93.3 | Very high | 92 | Very high | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.027 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 178.4 | -70.4 | -8 | 0 | 0 | 0 | 112.1 | A83 R84 A89 A90 C91 T100 N101 F102 | A83-D87 VanDerWaalsContact O-CG 3.3Å; A83-D87 PolarHBondContact O-N 3.08Å; R84-D87 PolarHBondContact O-N 3.39Å; D87-A89 VanDerWaalsContact C-N 3.34Å; D87-A89 PolarHBondContact O-N 3.07Å; D87-A90 PolarHBondContact O-N 3.32Å; D87-C91 WeakPolarHBondContact O-CB 3.34Å; D87-C91 PolarHBondContact O-N 3.11Å; D87-C91 PolarHBondContact O-SG 3.17Å; D87-C91 VanDerWaalsContact O-SG 3.39Å; D87-T100 HydrophobicContact CB-CG2 3.75Å; D87-T100 VanDerWaalsContact CG-CB 3.46Å; D87-T100 WeakPolarHBondContact OD1-CA 3.48Å; D87-T100 WeakPolarHBondContact OD2-CB 3.03Å; D87-N101 PolarHBondContact OD1-N 2.8Å; D87-N101 PolarHBondContact OD1-ND2 3.47Å; D87-N101 WeakPolarHBondContact OD2-CA 3.34Å; D87-N101 WeakPolarHBondContact OD2-CB 3.26Å; D87-N101 PolarHBondContact OD2-N 2.83Å; D87-F102 VanDerWaalsContact OD2-CD2 3.28Å; D87-F102 WeakPolarHBondContact OD2-CD2 3.15Å; D87-F102 PolarHBondContact OD2-N 3.1Å |
| 88 | E | 92.6 | Very high | 91.6 | Very high | 32 Ų | 32 | 41.9 Ų | 41.9 | 15% | 0.15 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -51 | -53.3 | 169 | -78.6 | 175.7 | -146.8 | 0 | 0 | 110.9 | R84 A90 L92 P106 S110 L112 | R84-E88 WeakPolarHBondContact O-CG 3.35Å; R84-E88 PolarHBondContact O-N 3.41Å; E88-A90 PolarHBondContact O-N 3.19Å; E88-L92 WeakPolarHBondContact O-CD1 3.39Å; E88-L92 VanDerWaalsContact O-CG 3.26Å; E88-L92 WeakPolarHBondContact O-CG 3.24Å; E88-L92 PolarHBondContact O-N 3.39Å; E88-P106 HydrophobicContact CB-CB 4.09Å; E88-P106 HydrophobicContact CG-CB 3.41Å; E88-P106 VanDerWaalsContact CG-CB 3.41Å; E88-S110 WeakPolarHBondContact OE2-CB 3.25Å; E88-S110 PolarHBondContact OE2-OG 3.24Å; E88-L112 HydrophobicContact CB-CD2 4.49Å |
| 89 | A | 93 | Very high | 91.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.1 | -39.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | I62 L73 A85 Y86 D87 L92 L93 I116 | I62-A89 HydrophobicContact CD1-CB 4.31Å; I62-A89 HydrophobicContact CG2-CB 4.15Å; L73-A89 HydrophobicContact CD1-CB 3.79Å; L73-A89 HydrophobicContact CD2-CB 3.48Å; L73-A89 VanDerWaalsContact CD2-CB 3.48Å; L73-A89 HydrophobicContact CG-CB 4.3Å; A85-A89 WeakPolarHBondContact O-CB 3.43Å; A85-A89 PolarHBondContact O-N 3.34Å; A85-A89 VanDerWaalsContact O-N 3.12Å; Y86-A89 PolarHBondContact O-N 3.37Å; D87-A89 VanDerWaalsContact C-N 3.34Å; D87-A89 PolarHBondContact O-N 3.07Å; A89-L92 PolarHBondContact O-N 3.49Å; A89-L93 WeakPolarHBondContact O-CG 3.41Å; A89-L93 PolarHBondContact O-N 2.83Å; A89-I116 HydrophobicContact CB-CD1 3.38Å |
| 90 | A | 92.4 | Very high | 91.2 | Very high | 4 Ų | 4 | 48 Ų | 48 | 3% | 0.033 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.2 | -43.9 | -179 | 0 | 0 | 0 | 0 | 0 | 111 | I62 Y86 D87 E88 L92 L93 R94 T98 | I62-A90 HydrophobicContact CD1-CB 3.74Å; Y86-A90 HydrophobicContact CD1-CB 4.49Å; Y86-A90 HydrophobicContact CE1-CB 4.26Å; Y86-A90 VanDerWaalsContact O-CB 3.25Å; Y86-A90 WeakPolarHBondContact O-CB 3.38Å; Y86-A90 PolarHBondContact O-N 2.68Å; D87-A90 PolarHBondContact O-N 3.32Å; E88-A90 PolarHBondContact O-N 3.19Å; A90-L92 PolarHBondContact O-N 3Å; A90-L93 PolarHBondContact O-N 3.39Å; A90-R94 PolarHBondContact O-N 3.31Å; A90-R94 VanDerWaalsContact O-N 3.11Å; A90-T98 HydrophobicContact CB-CG2 3.58Å; A90-T98 PolarHBondContact O-OG1 3.06Å |
| 91 | C | 91.1 | Very high | 91.1 | Very high | 27 Ų | 27 | 47 Ų | 47 | 18% | 0.182 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60 | -31.6 | 173.3 | -75.9 | 0 | 0 | 0 | 0 | 113.2 | D87 G95 T100 P106 | D87-C91 WeakPolarHBondContact O-CB 3.34Å; D87-C91 PolarHBondContact O-N 3.11Å; D87-C91 PolarHBondContact O-SG 3.17Å; D87-C91 VanDerWaalsContact O-SG 3.39Å; C91-G95 CarbonylContact O-C 3.21Å; C91-G95 WeakPolarHBondContact O-CA 3.07Å; C91-G95 PolarHBondContact O-N 3.25Å; C91-T100 VanDerWaalsContact SG-CG2 3.53Å; C91-P106 HydrophobicContact CB-CG 3.91Å |
| 92 | L | 90.3 | Very high | 90.9 | Very high | 55 Ų | 55 | 48.7 Ų | 48.7 | 29% | 0.288 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -79.6 | -39.6 | 178 | -68 | 162.7 | 0 | 0 | 0 | 113.5 | E88 A89 A90 A113 I116 | E88-L92 WeakPolarHBondContact O-CD1 3.39Å; E88-L92 VanDerWaalsContact O-CG 3.26Å; E88-L92 WeakPolarHBondContact O-CG 3.24Å; E88-L92 PolarHBondContact O-N 3.39Å; A89-L92 PolarHBondContact O-N 3.49Å; A90-L92 PolarHBondContact O-N 3Å; L92-A113 VanDerWaalsContact CD1-CA 3.45Å; L92-A113 HydrophobicContact CD1-CB 3.46Å; L92-A113 VanDerWaalsContact CD1-CB 3.46Å; L92-A113 HydrophobicContact CD2-CB 4.33Å; L92-I116 HydrophobicContact CB-CG2 4.07Å; L92-I116 HydrophobicContact CD1-CB 4.4Å; L92-I116 HydrophobicContact CD1-CD1 4.2Å; L92-I116 HydrophobicContact CD1-CG2 4.49Å |
| 93 | L | 89.8 | Confident | 90.3 | Very high | 6 Ų | 6 | 54.1 Ų | 54.1 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -77.7 | -30 | -176.6 | -73.5 | 173.8 | 0 | 0 | 0 | 113.7 | I62 D64 Q67 A89 A90 I116 | I62-L93 HydrophobicContact CD1-CD1 4.03Å; I62-L93 HydrophobicContact CG1-CD1 4.1Å; I62-L93 HydrophobicContact CG2-CD1 3.65Å; D64-L93 HydrophobicContact CB-CD1 4.34Å; Q67-L93 HydrophobicContact CG-CD2 4.44Å; Q67-L93 PolarHBondContact NE2-O 3.39Å; A89-L93 WeakPolarHBondContact O-CG 3.41Å; A89-L93 PolarHBondContact O-N 2.83Å; A90-L93 PolarHBondContact O-N 3.39Å; L93-I116 HydrophobicContact CD2-CG2 3.82Å; L93-I116 HydrophobicContact CG-CG2 3.99Å |
| 94 | R | 89.8 | Confident | 89.4 | Confident | 138 Ų | 138 | 58 Ų | 58 | 52% | 0.521 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -119.5 | -16.6 | -175.2 | 177.2 | -177.5 | -50.4 | 177.2 | 8.8 | 113.9 | D64 A90 N97 T98 | D64-R94 IonicContact OD2-CZ 2.68Å; D64-R94 IonicContact OD2-NE 3.68Å; D64-R94 IonicContact OD2-NH2 3.58Å; D64-R94 PolarHBondContact OD2-NH2 3.45Å; A90-R94 PolarHBondContact O-N 3.31Å; A90-R94 VanDerWaalsContact O-N 3.11Å; R94-N97 PolarHBondContact O-OD1 3.18Å; R94-T98 HydrophobicContact CB-CG2 4.49Å; R94-T98 VanDerWaalsContact CB-OG1 3.24Å; R94-T98 WeakPolarHBondContact CB-OG1 3.41Å; R94-T98 WeakPolarHBondContact CD-OG1 3.49Å; R94-T98 WeakPolarHBondContact CG-OG1 3.45Å |
| 95 | G | 87.9 | Confident | 88.2 | Confident | 29 Ų | 29 | 56.3 Ų | 56.3 | 30% | 0.299 | 34% | 0.34 | S | S | . | . | trans | 100.4 | -179.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | C91 N97 T98 | C91-G95 CarbonylContact O-C 3.21Å; C91-G95 WeakPolarHBondContact O-CA 3.07Å; C91-G95 PolarHBondContact O-N 3.25Å; G95-N97 PolarHBondContact O-N 3.12Å; G95-T98 WeakPolarHBondContact O-CB 3.41Å; G95-T98 PolarHBondContact O-N 3.4Å; G95-T98 PolarHBondContact O-OG1 2.89Å | ||
| 96 | A | 84.9 | Confident | 87.1 | Confident | 107 Ų | 107 | 57.9 Ų | 57.9 | 88% | 0.884 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -9.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | T98 | A96-T98 VanDerWaalsContact C-N 3.27Š|
| 97 | N | 85.3 | Confident | 85.9 | Confident | 138 Ų | 138 | 59.6 Ų | 59.6 | 74% | 0.738 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 9.1 | 175.8 | 66 | -0.8 | 0 | 0 | 0 | 113.4 | R94 G95 | R94-N97 PolarHBondContact O-OD1 3.18Å; G95-N97 PolarHBondContact O-N 3.12Å |
| 98 | T | 87.2 | Confident | 84.7 | Confident | 16 Ų | 16 | 63.4 Ų | 63.4 | 10% | 0.098 | 39% | 0.391 | C | S | . | . | trans | -78.2 | 137.6 | -174.7 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | A90 R94 G95 A96 T100 | A90-T98 HydrophobicContact CB-CG2 3.58Å; A90-T98 PolarHBondContact O-OG1 3.06Å; R94-T98 HydrophobicContact CB-CG2 4.49Å; R94-T98 VanDerWaalsContact CB-OG1 3.24Å; R94-T98 WeakPolarHBondContact CB-OG1 3.41Å; R94-T98 WeakPolarHBondContact CD-OG1 3.49Å; R94-T98 WeakPolarHBondContact CG-OG1 3.45Å; G95-T98 WeakPolarHBondContact O-CB 3.41Å; G95-T98 PolarHBondContact O-N 3.4Å; G95-T98 PolarHBondContact O-OG1 2.89Å; A96-T98 VanDerWaalsContact C-N 3.27Å; T98-T100 PolarHBondContact O-N 2.84Å; T98-T100 VanDerWaalsContact O-N 3.12Å | ||
| 99 | R | 89 | Confident | 83.8 | Confident | 147 Ų | 147 | 68.3 Ų | 68.3 | 56% | 0.555 | 42% | 0.418 | S | S | * | . | trans | -74 | 103.6 | 174.3 | -178.7 | 175.1 | 62.1 | -169.4 | -6.7 | 110.4 | K36 | K36-R99 PolarHBondContact O-NH1 2.97Š| ||
| 100 | T | 91.6 | Very high | 83.4 | Confident | 46 Ų | 46 | 69.1 Ų | 69.1 | 28% | 0.282 | 42% | 0.424 | S | S | . | . | trans | -84.3 | 168.2 | 172.8 | 52.3 | 0 | 0 | 0 | 0 | 112.4 | D87 C91 T98 F102 | D87-T100 HydrophobicContact CB-CG2 3.75Å; D87-T100 VanDerWaalsContact CG-CB 3.46Å; D87-T100 WeakPolarHBondContact OD1-CA 3.48Å; D87-T100 WeakPolarHBondContact OD2-CB 3.03Å; C91-T100 VanDerWaalsContact SG-CG2 3.53Å; T98-T100 PolarHBondContact O-N 2.84Å; T98-T100 VanDerWaalsContact O-N 3.12Å; T100-F102 WeakPolarHBondContact CB-O 3.37Å; T100-F102 PolarHBondContact OG1-O 2.8Å | ||
| 101 | N | 91.6 | Very high | 83.2 | Confident | 44 Ų | 44 | 74.2 Ų | 74.2 | 24% | 0.235 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -80.7 | -37.6 | 169.1 | -63.6 | -80.5 | 0 | 0 | 0 | 111.7 | F47 V48 A83 D87 | F47-N101 HydrophobicContact CD1-CB 4.31Å; V48-N101 WeakPolarHBondContact CB-OD1 3.36Å; V48-N101 PolarHBondContact N-OD1 3.14Å; V48-N101 PolarHBondContact O-ND2 2.81Å; A83-N101 HydrophobicContact CB-CB 4.39Å; D87-N101 PolarHBondContact OD1-N 2.8Å; D87-N101 PolarHBondContact OD1-ND2 3.47Å; D87-N101 WeakPolarHBondContact OD2-CA 3.34Å; D87-N101 WeakPolarHBondContact OD2-CB 3.26Å; D87-N101 PolarHBondContact OD2-N 2.83Å |
| 102 | F | 89.3 | Confident | 83.1 | Confident | 57 Ų | 57 | 73.6 Ų | 73.6 | 25% | 0.25 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -105.7 | 147.8 | -179.9 | -56.2 | -71.9 | 0 | 0 | 0 | 112.2 | F47 E80 A83 R84 D87 T100 A104 | F47-F102 HydrophobicContact CE1-CE1 4.2Å; F47-F102 HydrophobicContact CE1-CZ 4.08Å; F47-F102 HydrophobicContact CE2-CZ 4.48Å; F47-F102 HydrophobicContact CZ-CE1 4.32Å; F47-F102 HydrophobicContact CZ-CZ 4.05Å; E80-F102 HydrophobicContact CB-CZ 4.43Å; A83-F102 HydrophobicContact CB-CE2 3.53Å; A83-F102 HydrophobicContact CB-CZ 3.97Å; R84-F102 HydrophobicContact CB-CE2 4.37Å; R84-F102 HydrophobicContact CG-CD2 3.58Å; R84-F102 HydrophobicContact CG-CE2 3.51Å; R84-F102 HydrophobicContact CG-CZ 4.4Å; D87-F102 VanDerWaalsContact OD2-CD2 3.28Å; D87-F102 WeakPolarHBondContact OD2-CD2 3.15Å; D87-F102 PolarHBondContact OD2-N 3.1Å; T100-F102 WeakPolarHBondContact CB-O 3.37Å; T100-F102 PolarHBondContact OG1-O 2.8Å; F102-A104 VanDerWaalsContact C-N 3.34Å |
| 103 | A | 81.7 | Confident | 83 | Confident | 114 Ų | 114 | 71 Ų | 71 | 94% | 0.942 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -80 | -15.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 104 | A | 75.1 | Confident | 83 | Confident | 80 Ų | 80 | 73.4 Ų | 73.4 | 66% | 0.661 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -73.7 | 127.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | F102 | F102-A104 VanDerWaalsContact C-N 3.34Š|
| 105 | A | 67.5 | Low | 83.1 | Confident | 92 Ų | 92 | 72.5 Ų | 72.5 | 76% | 0.76 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 135.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 106 | P | 70.5 | Confident | 83.2 | Confident | 38 Ų | 38 | 71.2 Ų | 71.2 | 25% | 0.247 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 145.6 | 176.1 | 21.7 | -30.3 | 0 | 0 | 0 | 112.2 | E88 C91 | E88-P106 HydrophobicContact CB-CB 4.09Å; E88-P106 HydrophobicContact CG-CB 3.41Å; E88-P106 VanDerWaalsContact CG-CB 3.41Å; C91-P106 HydrophobicContact CB-CG 3.91Å |
| 107 | P | 71.2 | Confident | 83.5 | Confident | 77 Ų | 77 | 70.7 Ų | 70.7 | 50% | 0.5 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -66 | 129.6 | 172.8 | 28 | -33.3 | 0 | 0 | 0 | 110.3 | D109 | P107-D109 PolarHBondContact O-N 3.33Š|
| 108 | P | 67.6 | Low | 83.7 | Confident | 85 Ų | 85 | 65.2 Ų | 65.2 | 55% | 0.552 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -16.5 | -172 | 26.4 | -34.2 | 0 | 0 | 0 | 114.7 | A113 R117 | P108-A113 WeakPolarHBondContact O-CB 3.45Å; P108-R117 PolarHBondContact O-NH1 3.47Å |
| 109 | D | 74 | Confident | 83.8 | Confident | 134 Ų | 134 | 67.8 Ų | 67.8 | 72% | 0.717 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | 20.2 | -166.8 | -59 | -48.3 | 0 | 0 | 0 | 114.2 | P107 | P107-D109 PolarHBondContact O-N 3.33Š|
| 110 | S | 84.4 | Confident | 83.7 | Confident | 17 Ų | 17 | 63.3 Ų | 63.3 | 12% | 0.119 | 39% | 0.392 | C | S | . | . | trans | -64.4 | 151.2 | 176.7 | 85.6 | 0 | 0 | 0 | 0 | 111.9 | E88 L112 A113 A114 | E88-S110 WeakPolarHBondContact OE2-CB 3.25Å; E88-S110 PolarHBondContact OE2-OG 3.24Å; S110-L112 PolarHBondContact O-N 2.88Å; S110-A113 WeakPolarHBondContact O-CA 3.5Å; S110-A113 VanDerWaalsContact O-CB 3.25Å; S110-A113 WeakPolarHBondContact O-CB 3.34Å; S110-A113 PolarHBondContact O-N 3.03Å; S110-A113 PolarHBondContact OG-N 2.83Å; S110-A113 VanDerWaalsContact OG-N 3.11Å; S110-A114 PolarHBondContact O-N 2.97Å | ||
| 111 | P | 87.6 | Confident | 83.5 | Confident | 111 Ų | 111 | 65.6 Ų | 65.6 | 72% | 0.721 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.2 | -24.6 | 175.4 | 25.9 | -34.8 | 0 | 0 | 0 | 112.1 | R115 | P111-R115 WeakPolarHBondContact O-CG 3.5Å; P111-R115 PolarHBondContact O-N 3.04Å |
| 112 | L | 88.7 | Confident | 83.1 | Confident | 15 Ų | 15 | 69.8 Ų | 69.8 | 8% | 0.079 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 170 | -177.9 | 63.8 | 0 | 0 | 0 | 111.1 | L73 A85 E88 S110 A114 R115 I116 | L73-L112 HydrophobicContact CB-CD1 4.19Å; L73-L112 HydrophobicContact CB-CD2 4.29Å; L73-L112 HydrophobicContact CD2-CD1 3.88Å; L73-L112 HydrophobicContact CD2-CD2 4.26Å; L73-L112 HydrophobicContact CD2-CG 4.46Å; A85-L112 HydrophobicContact CB-CD2 3.89Å; A85-L112 WeakPolarHBondContact O-CD2 3.5Å; E88-L112 HydrophobicContact CB-CD2 4.49Å; S110-L112 PolarHBondContact O-N 2.88Å; L112-A114 PolarHBondContact O-N 3.32Å; L112-R115 WeakPolarHBondContact O-CB 3.21Å; L112-R115 PolarHBondContact O-N 3.32Å; L112-I116 HydrophobicContact CD1-CD1 4.2Å; L112-I116 HydrophobicContact CG-CD1 3.96Å; L112-I116 WeakPolarHBondContact O-CG1 3.47Å; L112-I116 PolarHBondContact O-N 2.82Å |
| 113 | A | 89.2 | Confident | 82.6 | Confident | 1 Ų | 1 | 70.5 Ų | 70.5 | 1% | 0.008 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L92 P108 S110 R115 I116 R117 | L92-A113 VanDerWaalsContact CD1-CA 3.45Å; L92-A113 HydrophobicContact CD1-CB 3.46Å; L92-A113 VanDerWaalsContact CD1-CB 3.46Å; L92-A113 HydrophobicContact CD2-CB 4.33Å; P108-A113 WeakPolarHBondContact O-CB 3.45Å; S110-A113 WeakPolarHBondContact O-CA 3.5Å; S110-A113 VanDerWaalsContact O-CB 3.25Å; S110-A113 WeakPolarHBondContact O-CB 3.34Å; S110-A113 PolarHBondContact O-N 3.03Å; S110-A113 PolarHBondContact OG-N 2.83Å; S110-A113 VanDerWaalsContact OG-N 3.11Å; A113-R115 PolarHBondContact O-N 3.24Å; A113-I116 PolarHBondContact O-N 2.98Å; A113-R117 WeakPolarHBondContact O-CB 3.36Å; A113-R117 WeakPolarHBondContact O-CG 3.36Å; A113-R117 PolarHBondContact O-N 3.25Å |
| 114 | A | 89.8 | Confident | 82.2 | Confident | 56 Ų | 56 | 71.2 Ų | 71.2 | 46% | 0.463 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S110 L112 I116 G118 | S110-A114 PolarHBondContact O-N 2.97Å; L112-A114 PolarHBondContact O-N 3.32Å; A114-I116 PolarHBondContact O-N 2.59Å; A114-G118 PolarHBondContact O-N 3.11Å |
| 115 | R | 91 | Very high | 82 | Confident | 118 Ų | 118 | 72.2 Ų | 72.2 | 45% | 0.445 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.2 | -45.3 | 175.1 | -71.6 | 166.9 | 58.7 | -146.4 | -7.4 | 112.1 | W72 L73 P111 L112 A113 G118 I119 | W72-R115 PolarHBondContact O-NH2 3.46Å; L73-R115 PolarHBondContact O-NH1 3.16Å; P111-R115 WeakPolarHBondContact O-CG 3.5Å; P111-R115 PolarHBondContact O-N 3.04Å; L112-R115 WeakPolarHBondContact O-CB 3.21Å; L112-R115 PolarHBondContact O-N 3.32Å; A113-R115 PolarHBondContact O-N 3.24Å; R115-G118 PolarHBondContact O-N 2.59Å; R115-I119 WeakPolarHBondContact O-CG1 3.49Å; R115-I119 PolarHBondContact O-N 3.21Å; R115-I119 VanDerWaalsContact O-N 3.11Å |
| 116 | I | 90.6 | Very high | 81.7 | Confident | 3 Ų | 3 | 74.5 Ų | 74.5 | 2% | 0.015 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -69.1 | -43.6 | -177.8 | -68.5 | 169.4 | 0 | 0 | 0 | 111.5 | V71 L73 A89 L92 L93 L112 A113 A114 G118 I119 L120 | V71-I116 HydrophobicContact CG1-CG1 4.17Å; L73-I116 HydrophobicContact CD2-CD1 4.1Å; A89-I116 HydrophobicContact CB-CD1 3.38Å; L92-I116 HydrophobicContact CB-CG2 4.07Å; L92-I116 HydrophobicContact CD1-CB 4.4Å; L92-I116 HydrophobicContact CD1-CD1 4.2Å; L92-I116 HydrophobicContact CD1-CG2 4.49Å; L93-I116 HydrophobicContact CD2-CG2 3.82Å; L93-I116 HydrophobicContact CG-CG2 3.99Å; L112-I116 HydrophobicContact CD1-CD1 4.2Å; L112-I116 HydrophobicContact CG-CD1 3.96Å; L112-I116 WeakPolarHBondContact O-CG1 3.47Å; L112-I116 PolarHBondContact O-N 2.82Å; A113-I116 PolarHBondContact O-N 2.98Å; A114-I116 PolarHBondContact O-N 2.59Å; I116-G118 VanDerWaalsContact C-N 3.34Å; I116-G118 PolarHBondContact O-N 3.4Å; I116-I119 PolarHBondContact O-N 3.12Å; I116-L120 PolarHBondContact O-N 3.05Å |
| 117 | R | 90.1 | Very high | 81 | Confident | 96 Ų | 96 | 76.2 Ų | 76.2 | 36% | 0.362 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -56.6 | -48.8 | 174.2 | -73.2 | -175.3 | -69.3 | -109.4 | 8.8 | 110.9 | P108 A113 I119 L120 D121 | P108-R117 PolarHBondContact O-NH1 3.47Å; A113-R117 WeakPolarHBondContact O-CB 3.36Å; A113-R117 WeakPolarHBondContact O-CG 3.36Å; A113-R117 PolarHBondContact O-N 3.25Å; R117-I119 PolarHBondContact O-N 2.95Å; R117-L120 WeakPolarHBondContact O-CB 3.25Å; R117-L120 PolarHBondContact O-N 3.31Å; R117-L120 VanDerWaalsContact O-N 3.09Å; R117-D121 VanDerWaalsContact O-CG 3.28Å; R117-D121 PolarHBondContact O-N 3.49Å |
| 118 | G | 90.6 | Very high | 80.2 | Confident | 23 Ų | 23 | 82.3 Ų | 82.3 | 24% | 0.237 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -53 | -51.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A114 R115 I116 L120 D121 H122 | A114-G118 PolarHBondContact O-N 3.11Å; R115-G118 PolarHBondContact O-N 2.59Å; I116-G118 VanDerWaalsContact C-N 3.34Å; I116-G118 PolarHBondContact O-N 3.4Å; G118-L120 VanDerWaalsContact C-N 3.27Å; G118-L120 PolarHBondContact O-N 3.01Å; G118-D121 PolarHBondContact O-N 3.27Å; G118-H122 PolarHBondContact O-N 3.19Å; G118-H122 VanDerWaalsContact O-N 3.1Å; G118-H122 PolarHBondContact O-ND1 3.49Å |
| 119 | I | 88 | Confident | 79.7 | Confident | 69 Ų | 69 | 84.1 Ų | 84.1 | 35% | 0.354 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -57.5 | -40.4 | 178.7 | -65.9 | 162.8 | 0 | 0 | 0 | 111.7 | V69 V71 R115 I116 R117 H122 N123 | V69-I119 HydrophobicContact CG1-CG2 3.62Å; V69-I119 HydrophobicContact CG2-CG2 4.4Å; V71-I119 HydrophobicContact CG1-CD1 3.98Å; V71-I119 HydrophobicContact CG2-CD1 4.11Å; R115-I119 WeakPolarHBondContact O-CG1 3.49Å; R115-I119 PolarHBondContact O-N 3.21Å; R115-I119 VanDerWaalsContact O-N 3.11Å; I116-I119 PolarHBondContact O-N 3.12Å; R117-I119 PolarHBondContact O-N 2.95Å; I119-H122 PolarHBondContact O-N 3.11Å; I119-N123 PolarHBondContact O-N 2.92Å |
| 120 | L | 87.5 | Confident | 79.1 | Confident | 54 Ų | 54 | 83 Ų | 83 | 28% | 0.283 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.6 | -42.4 | 178.5 | -173.1 | 61.7 | 0 | 0 | 0 | 112.2 | Q67 I116 R117 G118 H122 N123 N124 | Q67-L120 HydrophobicContact CG-CD1 4.43Å; I116-L120 PolarHBondContact O-N 3.05Å; R117-L120 WeakPolarHBondContact O-CB 3.25Å; R117-L120 PolarHBondContact O-N 3.31Å; R117-L120 VanDerWaalsContact O-N 3.09Å; G118-L120 VanDerWaalsContact C-N 3.27Å; G118-L120 PolarHBondContact O-N 3.01Å; L120-H122 VanDerWaalsContact C-N 3.32Å; L120-H122 PolarHBondContact O-N 3.48Å; L120-N123 PolarHBondContact O-N 3.49Å; L120-N124 PolarHBondContact O-N 3.47Å; L120-N124 VanDerWaalsContact O-N 3.14Å |
| 121 | D | 87.6 | Confident | 77.7 | Confident | 93 Ų | 93 | 87.4 Ų | 87.4 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.1 | -38.5 | 177.4 | -64.2 | -37.7 | 0 | 0 | 0 | 112.1 | R117 G118 N125 | R117-D121 VanDerWaalsContact O-CG 3.28Å; R117-D121 PolarHBondContact O-N 3.49Å; G118-D121 PolarHBondContact O-N 3.27Å; D121-N125 PolarHBondContact O-N 2.75Å; D121-N125 PolarHBondContact O-ND2 3.14Å |
| 122 | H | 83.3 | Confident | 76 | Confident | 132 Ų | 132 | 91.4 Ų | 91.4 | 61% | 0.611 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -70.3 | -39.2 | 178.8 | -68 | 57 | 0 | 0 | 0 | 111.4 | G118 I119 L120 N124 N125 N126 | G118-H122 PolarHBondContact O-N 3.19Å; G118-H122 VanDerWaalsContact O-N 3.1Å; G118-H122 PolarHBondContact O-ND1 3.49Å; I119-H122 PolarHBondContact O-N 3.11Å; L120-H122 VanDerWaalsContact C-N 3.32Å; L120-H122 PolarHBondContact O-N 3.48Å; H122-N124 PolarHBondContact O-N 2.83Å; H122-N125 PolarHBondContact O-N 3.09Å; H122-N126 PolarHBondContact O-N 3.14Å; H122-N126 VanDerWaalsContact O-N 3.09Å |
| 123 | N | 79 | Confident | 74.2 | Confident | 72 Ų | 72 | 100.3 Ų | 100.3 | 39% | 0.385 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 177.5 | -166.5 | 31.2 | 0 | 0 | 0 | 112 | Q67 I119 L120 N125 N126 | Q67-N123 PolarHBondContact O-ND2 3.19Å; Q67-N123 VanDerWaalsContact O-ND2 3.12Å; I119-N123 PolarHBondContact O-N 2.92Å; L120-N123 PolarHBondContact O-N 3.49Å; N123-N125 VanDerWaalsContact C-N 3.31Å; N123-N125 PolarHBondContact O-N 3.21Å; N123-N126 PolarHBondContact O-N 2.86Å |
| 124 | N | 74.3 | Confident | 72.6 | Confident | 129 Ų | 129 | 105.8 Ų | 105.8 | 69% | 0.69 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.1 | -35.6 | 176.8 | -169 | 30.5 | 0 | 0 | 0 | 112.5 | L120 H122 | L120-N124 PolarHBondContact O-N 3.47Å; L120-N124 VanDerWaalsContact O-N 3.14Å; H122-N124 PolarHBondContact O-N 2.83Å |
| 125 | N | 69.1 | Low | 71.4 | Confident | 102 Ų | 102 | 110.1 Ų | 110.1 | 55% | 0.545 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -75.5 | -30.9 | 178.9 | -74.5 | -50.5 | 0 | 0 | 0 | 113.4 | D121 H122 N123 G127 R128 | D121-N125 PolarHBondContact O-N 2.75Å; D121-N125 PolarHBondContact O-ND2 3.14Å; H122-N125 PolarHBondContact O-N 3.09Å; N123-N125 VanDerWaalsContact C-N 3.31Å; N123-N125 PolarHBondContact O-N 3.21Å; N125-G127 PolarHBondContact O-N 3.49Å; N125-R128 PolarHBondContact O-N 3.4Å |
| 126 | N | 61 | Low | 70 | Confident | 140 Ų | 140 | 110.1 Ų | 110.1 | 75% | 0.749 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.4 | -19.2 | 177.6 | -75.8 | -7.6 | 0 | 0 | 0 | 113.7 | H122 N123 | H122-N126 PolarHBondContact O-N 3.14Å; H122-N126 VanDerWaalsContact O-N 3.09Å; N123-N126 PolarHBondContact O-N 2.86Å |
| 127 | G | 56.4 | Low | 68.1 | Low | 73 Ų | 73 | 117.8 Ų | 117.8 | 75% | 0.753 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -14.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | N125 | N125-G127 PolarHBondContact O-N 3.49Š|
| 128 | R | 55.4 | Low | 66.5 | Low | 206 Ų | 206 | 123.6 Ų | 123.6 | 78% | 0.777 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -96 | 112.5 | 170.8 | -93.8 | -176.9 | 167.3 | -163.4 | -3.9 | 109.1 | N125 | N125-R128 PolarHBondContact O-N 3.4Š|
| 129 | T | 57.1 | Low | 65 | Low | 122 Ų | 122 | 128 Ų | 128 | 75% | 0.748 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -46.2 | 134.1 | 162.8 | 49.7 | 0 | 0 | 0 | 0 | 109 | P131 | T129-P131 VanDerWaalsContact O-N 3.16Š|
| 130 | P | 59.8 | Low | 63.4 | Low | 111 Ų | 111 | 130.9 Ų | 130.9 | 72% | 0.721 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 128.8 | 179.4 | 23.6 | -33 | 0 | 0 | 0 | 107.5 | K132 | P130-K132 PolarHBondContact O-N 3.18Š|
| 131 | P | 55.4 | Low | 61.9 | Low | 110 Ų | 110 | 132.1 Ų | 132.1 | 71% | 0.714 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 119.3 | 174 | 23.8 | -32 | 0 | 0 | 0 | 106.2 | T129 K133 | T129-P131 VanDerWaalsContact O-N 3.16Å; P131-K133 PolarHBondContact O-N 3.42Å |
| 132 | K | 51.4 | Low | 60.1 | Low | 195 Ų | 195 | 131.6 Ų | 131.6 | 85% | 0.848 | 72% | 0.72 | S | S | * | * | trans | -48.9 | 111.5 | 175.9 | -79.4 | -178.6 | 175.9 | 178.2 | 0 | 106.1 | P130 T134 | P130-K132 PolarHBondContact O-N 3.18Å; K132-T134 PolarHBondContact O-N 3.31Å | ||
| 133 | K | 52.4 | Low | 58.7 | Low | 202 Ų | 202 | 136 Ų | 136 | 88% | 0.878 | 73% | 0.732 | S | S | * | * | trans | -67.3 | 87.1 | 176.7 | -70.1 | -177.7 | -179.8 | 178.5 | 0 | 106.5 | P131 L135 | P131-K133 PolarHBondContact O-N 3.42Å; K133-L135 PolarHBondContact O-N 3.42Å | ||
| 134 | T | 55.8 | Low | 57.5 | Low | 115 Ų | 115 | 141.6 Ų | 141.6 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | -56.8 | 107.8 | 170.3 | 43.6 | 0 | 0 | 0 | 0 | 106.3 | K132 | K132-T134 PolarHBondContact O-N 3.31Š| ||
| 135 | L | 62.9 | Low | 56.1 | Low | 147 Ų | 147 | 145.2 Ų | 145.2 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | -47.1 | 128 | 174.8 | -80.3 | 136.9 | 0 | 0 | 0 | 108.4 | K133 H137 | K133-L135 PolarHBondContact O-N 3.42Å; L135-H137 PolarHBondContact O-CE1 2.95Å; L135-H137 PolarHBondContact O-N 3.1Å; L135-H137 PolarHBondContact O-ND1 3.19Å | ||
| 136 | P | 61.6 | Low | 55.4 | Low | 119 Ų | 119 | 146.2 Ų | 146.2 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -61.2 | 111.8 | 174.9 | 25.3 | -32.4 | 0 | 0 | 0 | 107.6 | R138 | P136-R138 PolarHBondContact O-N 3.48Š| ||
| 137 | H | 52.2 | Low | 54.6 | Low | 164 Ų | 164 | 144.1 Ų | 144.1 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | -63.6 | 107 | 176.2 | -14.9 | -64 | 0 | 0 | 0 | 106.2 | L135 P139 | L135-H137 PolarHBondContact O-CE1 2.95Å; L135-H137 PolarHBondContact O-N 3.1Å; L135-H137 PolarHBondContact O-ND1 3.19Å; H137-P139 WeakPolarHBondContact O-CD 3.44Å; H137-P139 VanDerWaalsContact O-N 3.11Å | ||
| 138 | R | 56.6 | Low | 53.9 | Low | 217 Ų | 217 | 145.3 Ų | 145.3 | 82% | 0.819 | 78% | 0.78 | S | S | * | * | trans | -49.2 | 120 | 174.2 | 173 | -177.5 | 175.2 | -166.3 | -0.5 | 107.5 | P136 T140 | P136-R138 PolarHBondContact O-N 3.48Å; R138-T140 PolarHBondContact O-N 3.29Å | ||
| 139 | P | 59.1 | Low | 53.4 | Low | 116 Ų | 116 | 140.3 Ų | 140.3 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | -63.8 | 108.6 | 172.6 | 25.3 | -31.6 | 0 | 0 | 0 | 107.1 | H137 A141 | H137-P139 WeakPolarHBondContact O-CD 3.44Å; H137-P139 VanDerWaalsContact O-N 3.11Å; P139-A141 VanDerWaalsContact C-N 3.29Å; P139-A141 PolarHBondContact O-N 2.69Å | ||
| 140 | T | 53.2 | Low | 52.9 | Low | 129 Ų | 129 | 138.6 Ų | 138.6 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -64.2 | 96.9 | 169.5 | -59.6 | 0 | 0 | 0 | 0 | 106.5 | R138 A142 | R138-T140 PolarHBondContact O-N 3.29Å; T140-A142 PolarHBondContact O-N 3.09Å | ||
| 141 | A | 55.8 | Low | 52.5 | Low | 80 Ų | 80 | 138.6 Ų | 138.6 | 66% | 0.661 | 78% | 0.783 | S | S | * | * | trans | -59.1 | 105.5 | 178 | 0 | 0 | 0 | 0 | 0 | 108.6 | P139 R143 | P139-A141 VanDerWaalsContact C-N 3.29Å; P139-A141 PolarHBondContact O-N 2.69Å; A141-R143 VanDerWaalsContact C-N 3.29Å; A141-R143 PolarHBondContact O-N 3.38Å | ||
| 142 | A | 50 | Low | 52.4 | Low | 82 Ų | 82 | 139.5 Ų | 139.5 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | trans | -63.3 | 93.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | T140 F144 | T140-A142 PolarHBondContact O-N 3.09Å; A142-F144 WeakPolarHBondContact O-CD2 3.4Å; A142-F144 PolarHBondContact O-N 3.05Å; A142-F144 VanDerWaalsContact O-N 3.08Å | ||
| 143 | R | 53.7 | Low | 52.4 | Low | 225 Ų | 225 | 134.5 Ų | 134.5 | 85% | 0.849 | 78% | 0.782 | S | S | * | * | trans | -73 | 101.4 | 170.9 | -74.4 | -173.4 | 175.4 | -179.4 | -2 | 107.3 | A141 F145 | A141-R143 VanDerWaalsContact C-N 3.29Å; A141-R143 PolarHBondContact O-N 3.38Å; R143-F145 PolarHBondContact O-N 3.15Å | ||
| 144 | F | 53.7 | Low | 52.5 | Low | 189 Ų | 189 | 130 Ų | 130 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | trans | -51.3 | 129 | 166.9 | -73.2 | -96.6 | 0 | 0 | 0 | 109.5 | A142 P146 | A142-F144 WeakPolarHBondContact O-CD2 3.4Å; A142-F144 PolarHBondContact O-N 3.05Å; A142-F144 VanDerWaalsContact O-N 3.08Å; F144-P146 VanDerWaalsContact O-CD 3.28Å; F144-P146 WeakPolarHBondContact O-CD 3.45Å | ||
| 145 | F | 46 | Very low | 52 | Low | 205 Ų | 205 | 130.3 Ų | 130.3 | 90% | 0.899 | 78% | 0.778 | S | S | * | * | trans | -78.5 | 129.5 | 169.9 | -65.9 | -94.7 | 0 | 0 | 0 | 109.4 | R143 | R143-F145 PolarHBondContact O-N 3.15Š| ||
| 146 | P | 53.8 | Low | 50.7 | Low | 123 Ų | 123 | 128 Ų | 128 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | trans | -109.9 | 138.6 | 143.5 | 34.1 | -29 | 0 | 0 | 0 | 109.5 | F144 | F144-P146 VanDerWaalsContact O-CD 3.28Å; F144-P146 WeakPolarHBondContact O-CD 3.45Å | ||
| 147 | A | 43.7 | Very low | 50 | Low | 97 Ų | 97 | 127 Ų | 127 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | trans | -94.7 | 151.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 148 | A | 42.6 | Very low | 49.6 | Very low | 97 Ų | 97 | 124.2 Ų | 124.2 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | trans | 77.3 | 133.4 | 151.9 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 149 | A | 44.2 | Very low | 48.9 | Very low | 102 Ų | 102 | 120.2 Ų | 120.2 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | trans | 66.7 | 134.9 | 155.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 150 | A | 47.7 | Very low | 48.3 | Very low | 85 Ų | 85 | 119.1 Ų | 119.1 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | cis | -160.4 | 159.1 | -15.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 151 | S | 50.6 | Low | 47.8 | Very low | 111 Ų | 111 | 118.5 Ų | 118.5 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | 31.9 | 138.7 | 150.1 | -44 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 152 | T | 53.2 | Low | 47.7 | Very low | 130 Ų | 130 | 120.1 Ų | 120.1 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | cis | -172.2 | 149.1 | 34.9 | -27.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 153 | A | 51.6 | Low | 47.5 | Very low | 89 Ų | 89 | 123.4 Ų | 123.4 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | 59.1 | 155.2 | 153 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 154 | S | 54.7 | Low | 46.9 | Very low | 109 Ų | 109 | 117.8 Ų | 117.8 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | cis | -172.5 | 163.7 | -13 | -93.4 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 155 | T | 45.9 | Very low | 46.6 | Very low | 121 Ų | 121 | 114.5 Ų | 114.5 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | cis | -155.5 | -179.4 | 2.1 | -110.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 156 | C | 36.1 | Very low | 46.5 | Very low | 99 Ų | 99 | 110.2 Ų | 110.2 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | trans | -62.6 | 164.8 | 178.6 | 56.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 157 | S | 45.5 | Very low | 46.3 | Very low | 96 Ų | 96 | 110.2 Ų | 110.2 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | -169.7 | 133.2 | 70 | -62.4 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 158 | S | 44.7 | Very low | 46.3 | Very low | 107 Ų | 107 | 110.4 Ų | 110.4 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | 68.5 | 137.7 | 90.9 | -46.8 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 159 | T | 42.3 | Very low | 46.1 | Very low | 132 Ų | 132 | 110.9 Ų | 110.9 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | cis | -171.4 | 142.5 | -9.4 | -76.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 160 | A | 45 | Very low | 46.3 | Very low | 94 Ų | 94 | 111.5 Ų | 111.5 | 78% | 0.777 | 77% | 0.767 | S | S | * | * | trans | 164.7 | 132.2 | 140.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 161 | S | 42.8 | Very low | 46.5 | Very low | 115 Ų | 115 | 113.9 Ų | 113.9 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -111.6 | -158.9 | 175.3 | -53.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 162 | P | 54.3 | Low | 46.5 | Very low | 114 Ų | 114 | 114.1 Ų | 114.1 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | -118.9 | 178.2 | -82 | 36.2 | -20.8 | 0 | 0 | 0 | 111.7 | |||||
| 163 | T | 46.2 | Very low | 46.1 | Very low | 151 Ų | 151 | 116.4 Ų | 116.4 | 93% | 0.926 | 77% | 0.768 | S | S | * | * | trans | -168.7 | 161.6 | 148.6 | 8.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 164 | S | 40.7 | Very low | 45.7 | Very low | 108 Ų | 108 | 116.9 Ų | 116.9 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -88.6 | 148 | -171.7 | 53.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 165 | S | 47.8 | Very low | 45 | Very low | 120 Ų | 120 | 117.8 Ų | 117.8 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | trans | -173.2 | 139.3 | 133 | 44.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 166 | S | 43.4 | Very low | 44.9 | Very low | 114 Ų | 114 | 116.7 Ų | 116.7 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | -79.6 | 165.3 | 157.9 | -42.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 167 | P | 48.4 | Very low | 45.6 | Very low | 123 Ų | 123 | 118.3 Ų | 118.3 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | -160.8 | -179.2 | 79.6 | 43.7 | -23.1 | 0 | 0 | 0 | 117.9 | |||||
| 168 | S | 43.7 | Very low | 45.9 | Very low | 102 Ų | 102 | 122.2 Ų | 122.2 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | trans | 66 | 118.9 | 144 | -148.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 169 | S | 39.2 | Very low | 46.1 | Very low | 107 Ų | 107 | 121.7 Ų | 121.7 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -54.5 | 142.9 | 151.6 | 49.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 170 | S | 49.3 | Very low | 46.3 | Very low | 114 Ų | 114 | 126.1 Ų | 126.1 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -140 | 98.3 | 162 | -70.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 171 | I | 52 | Low | 46.7 | Very low | 135 Ų | 135 | 125.4 Ų | 125.4 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | trans | -76.5 | 126.6 | 170.2 | 38.1 | 172.3 | 0 | 0 | 0 | 109.6 | F173 | I171-F173 HydrophobicContact CD1-CE1 3.89Å; I171-F173 HydrophobicContact CD1-CZ 4.3Å; I171-F173 HydrophobicContact CG1-CE1 3.95Å; I171-F173 HydrophobicContact CG1-CZ 4.03Å; I171-F173 PolarHBondContact O-N 2.97Å | ||
| 172 | S | 50.1 | Low | 47.1 | Very low | 117 Ų | 117 | 125.8 Ų | 125.8 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -82.3 | 112.4 | -175.8 | -46.5 | 0 | 0 | 0 | 0 | 111.6 | A174 | S172-A174 PolarHBondContact O-N 3.39Š| ||
| 173 | F | 43.8 | Very low | 47.2 | Very low | 178 Ų | 178 | 126.6 Ų | 126.6 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | trans | -83.9 | 93.7 | 172.2 | -33.1 | -78.3 | 0 | 0 | 0 | 109.6 | I171 T175 | I171-F173 HydrophobicContact CD1-CE1 3.89Å; I171-F173 HydrophobicContact CD1-CZ 4.3Å; I171-F173 HydrophobicContact CG1-CE1 3.95Å; I171-F173 HydrophobicContact CG1-CZ 4.03Å; I171-F173 PolarHBondContact O-N 2.97Å; F173-T175 PolarHBondContact O-N 3.21Å | ||
| 174 | A | 44.5 | Very low | 47.8 | Very low | 98 Ų | 98 | 125 Ų | 125 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -78.2 | 104.8 | 174 | 0 | 0 | 0 | 0 | 0 | 110.3 | S172 S176 | S172-A174 PolarHBondContact O-N 3.39Å; A174-S176 PolarHBondContact O-N 3.09Å; A174-S176 VanDerWaalsContact O-N 3.11Å | ||
| 175 | T | 38.6 | Very low | 48.4 | Very low | 129 Ų | 129 | 126.2 Ų | 126.2 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | -71 | 99.1 | 174.8 | 49.7 | 0 | 0 | 0 | 0 | 110.8 | F173 T177 | F173-T175 PolarHBondContact O-N 3.21Å; T175-T177 PolarHBondContact O-N 3.27Å | ||
| 176 | S | 43.6 | Very low | 48.6 | Very low | 98 Ų | 98 | 127.7 Ų | 127.7 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | trans | -83.2 | 100.9 | 171.2 | -171.9 | 0 | 0 | 0 | 0 | 110.3 | A174 H178 | A174-S176 PolarHBondContact O-N 3.09Å; A174-S176 VanDerWaalsContact O-N 3.11Å; S176-H178 PolarHBondContact O-N 3.26Å; S176-H178 VanDerWaalsContact O-N 3.15Å | ||
| 177 | T | 51.6 | Low | 49.5 | Very low | 133 Ų | 133 | 127.7 Ų | 127.7 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | trans | -73.8 | 96.4 | 171.9 | 32.9 | 0 | 0 | 0 | 0 | 110.1 | T175 A179 | T175-T177 PolarHBondContact O-N 3.27Å; T177-A179 PolarHBondContact O-N 2.85Å | ||
| 178 | H | 51.9 | Low | 50.1 | Low | 177 Ų | 177 | 129 Ų | 129 | 82% | 0.819 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -62 | 131.1 | 174.3 | -92.8 | -94 | 0 | 0 | 0 | 111.7 | S176 | S176-H178 PolarHBondContact O-N 3.26Å; S176-H178 VanDerWaalsContact O-N 3.15Å |
| 179 | A | 49.3 | Very low | 50.2 | Low | 97 Ų | 97 | 129.9 Ų | 129.9 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 135.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T177 A181 | T177-A179 PolarHBondContact O-N 2.85Å; A179-A181 PolarHBondContact O-N 3.11Å |
| 180 | R | 46 | Very low | 50.2 | Low | 224 Ų | 224 | 136.4 Ų | 136.4 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 124 | 172.6 | 173.9 | 178.6 | 172.6 | -166.3 | -1.1 | 110.3 | ||
| 181 | A | 54.4 | Low | 50.2 | Low | 80 Ų | 80 | 137 Ų | 137 | 66% | 0.661 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 159 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A179 | A179-A181 PolarHBondContact O-N 3.11Š|
| 182 | P | 50.7 | Low | 49.8 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 153.4 | -174.3 | -14.8 | 30.8 | 0 | 0 | 0 | 113.8 | ||
| 183 | I | 56.4 | Low | 49.6 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 67% | 0.672 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 129.3 | 173.8 | -61.2 | 160.3 | 0 | 0 | 0 | 108.9 | ||
| 184 | P | 57.8 | Low | 49.9 | Very low | 118 Ų | 118 | 135 Ų | 135 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 126.6 | 169.5 | 30.9 | -31.2 | 0 | 0 | 0 | 110.7 | ||
| 185 | T | 54.4 | Low | 50.4 | Low | 133 Ų | 133 | 136.8 Ų | 136.8 | 82% | 0.816 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 144.2 | -178.1 | -37.6 | 0 | 0 | 0 | 0 | 112.3 | ||
| 186 | L | 51.2 | Low | 51.2 | Low | 151 Ų | 151 | 139 Ų | 139 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 144.2 | 174.9 | -171.3 | 76.3 | 0 | 0 | 0 | 113.1 | ||
| 187 | P | 62.7 | Low | 51.5 | Low | 114 Ų | 114 | 142.4 Ų | 142.4 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | trans | -121 | 152.7 | 151.2 | 35.4 | -25 | 0 | 0 | 0 | 113.5 | ||||
| 188 | D | 60.3 | Low | 51.6 | Low | 151 Ų | 151 | 140.2 Ų | 140.2 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | trans | -72.6 | 159.4 | -165.4 | -72.5 | -66.6 | 0 | 0 | 0 | 117.6 | ||||
| 189 | P | 45.6 | Very low | 51.7 | Low | 119 Ų | 119 | 141.9 Ų | 141.9 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -94 | 108.9 | 175.9 | 35.3 | -30.9 | 0 | 0 | 0 | 113.2 | ||||
| 190 | R | 39.5 | Very low | 51.7 | Low | 244 Ų | 244 | 146.2 Ų | 146.2 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -163.9 | 101.6 | 161.2 | -129.4 | 175.7 | -178.2 | 148.3 | -0.9 | 114.4 | ||||
| 191 | S | 49.3 | Very low | 52.1 | Low | 127 Ų | 127 | 139.5 Ų | 139.5 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | 173.7 | 159.1 | 135.4 | -79.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 192 | Q | 43.9 | Very low | 52.2 | Low | 186 Ų | 186 | 141.3 Ų | 141.3 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | -107.8 | -178.8 | -160.2 | -61.3 | 168.5 | -7.5 | 0 | 0 | 113.1 | ||||
| 193 | S | 45.9 | Very low | 52.4 | Low | 124 Ų | 124 | 145.7 Ų | 145.7 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | 76.5 | 143.9 | 173.5 | 78.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 194 | A | 49.5 | Very low | 51.8 | Low | 79 Ų | 79 | 145.2 Ų | 145.2 | 65% | 0.653 | 80% | 0.798 | S | S | * | * | cis | -165.9 | 173.4 | -19.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 195 | T | 57 | Low | 51.3 | Low | 134 Ų | 134 | 144.1 Ų | 144.1 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | 67.2 | 148.5 | 176.7 | 71.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 196 | E | 53.5 | Low | 51 | Low | 175 Ų | 175 | 145 Ų | 145 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | cis | -174.2 | -176.3 | -41 | -123.9 | -173 | 133.1 | 0 | 0 | 104.8 | ||||
| 197 | E | 51.2 | Low | 50.6 | Low | 171 Ų | 171 | 141.2 Ų | 141.2 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | trans | 64.3 | 88.3 | 178.3 | -61.6 | -74.9 | 108.6 | 0 | 0 | 115.2 | ||||
| 198 | A | 53 | Low | 49.5 | Very low | 87 Ų | 87 | 139.9 Ų | 139.9 | 72% | 0.719 | 81% | 0.809 | S | S | * | * | 65.7 | 101.1 | 61.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 199 | Y | 54.3 | Low | 48.7 | Very low | 211 Ų | 211 | 136.6 Ų | 136.6 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | -169.4 | 140.6 | 127.6 | -146.1 | -125.9 | 0 | 0 | 0 | 114.5 | |||||
| 200 | Y | 48.6 | Very low | 48.9 | Very low | 188 Ų | 188 | 140.2 Ų | 140.2 | 74% | 0.737 | 82% | 0.818 | S | S | * | * | trans | 67.7 | 108.7 | 161.8 | -111.1 | -111.7 | 0 | 0 | 0 | 122 | ||||
| 201 | A | 55.1 | Low | 49 | Very low | 83 Ų | 83 | 136.3 Ų | 136.3 | 69% | 0.686 | 81% | 0.81 | S | S | * | * | trans | -106.3 | 156.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 202 | P | 55.8 | Low | 48.9 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 152.9 | -176.9 | 33.3 | -35.3 | 0 | 0 | 0 | 113 | ||
| 203 | Y | 55.6 | Low | 48.8 | Very low | 215 Ų | 215 | 138.1 Ų | 138.1 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 127.4 | 176.5 | 51 | -86.5 | 0 | 0 | 0 | 111.4 | ||
| 204 | S | 43.5 | Very low | 48.9 | Very low | 120 Ų | 120 | 140 Ų | 140 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 120.4 | 161.6 | -62.6 | 0 | 0 | 0 | 0 | 108.1 | ||
| 205 | A | 48.5 | Very low | 48.7 | Very low | 95 Ų | 95 | 141 Ų | 141 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -120.9 | 109.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 206 | T | 46.3 | Very low | 47.9 | Very low | 151 Ų | 151 | 139 Ų | 139 | 93% | 0.926 | 81% | 0.806 | S | S | * | * | trans | -93.2 | 133.6 | 173.8 | -46.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 207 | G | 43.1 | Very low | 48 | Very low | 73 Ų | 73 | 137 Ų | 137 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | 159.2 | 128.5 | 165 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 208 | G | 40.8 | Very low | 47.8 | Very low | 85 Ų | 85 | 134.6 Ų | 134.6 | 88% | 0.876 | 80% | 0.803 | S | S | * | * | trans | 76.8 | 124.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 209 | G | 41.8 | Very low | 47.6 | Very low | 83 Ų | 83 | 138.8 Ų | 138.8 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | cis | 100.9 | 62.1 | 0.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 210 | E | 51.5 | Low | 47.2 | Very low | 195 Ų | 195 | 136 Ų | 136 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | -145.3 | 152 | 154.1 | 63.2 | -171.5 | 148.4 | 0 | 0 | 111.9 | ||||
| 211 | E | 41.8 | Very low | 47 | Very low | 161 Ų | 161 | 136.9 Ų | 136.9 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | -106.5 | 127.8 | -164.6 | 170.8 | -175.3 | 101.1 | 0 | 0 | 109.4 | ||||
| 212 | F | 45.5 | Very low | 46.6 | Very low | 188 Ų | 188 | 139.8 Ų | 139.8 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -142.6 | 102.3 | 164.8 | -119.5 | -85 | 0 | 0 | 0 | 111.6 | L214 | F212-L214 HydrophobicContact CD1-CG 4.36Š| ||
| 213 | Q | 41.7 | Very low | 46 | Very low | 163 Ų | 163 | 143.2 Ų | 143.2 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | trans | -74.3 | 122.2 | 164.4 | -62.5 | 175.3 | 18.9 | 0 | 0 | 108.9 | ||||
| 214 | L | 48.3 | Very low | 45.6 | Very low | 163 Ų | 163 | 141.6 Ų | 141.6 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -135.6 | 146.4 | 155.9 | -81.4 | -180 | 0 | 0 | 0 | 110.8 | F212 | F212-L214 HydrophobicContact CD1-CG 4.36Š| ||
| 215 | A | 45 | Very low | 45.7 | Very low | 100 Ų | 100 | 140.9 Ų | 140.9 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | trans | -77.5 | 162.8 | -153.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 216 | A | 40.6 | Very low | 45.8 | Very low | 92 Ų | 92 | 147.9 Ų | 147.9 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | trans | -59.9 | 150 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 217 | T | 55.7 | Low | 45.8 | Very low | 135 Ų | 135 | 144 Ų | 144 | 83% | 0.828 | 80% | 0.796 | S | S | * | * | trans | -145.1 | 111.4 | 147.4 | -74.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 218 | T | 47.3 | Very low | 45.8 | Very low | 119 Ų | 119 | 148.4 Ų | 148.4 | 73% | 0.73 | 80% | 0.801 | S | S | * | * | trans | -69 | 131.7 | 168.5 | -88.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 219 | H | 49.5 | Very low | 46.2 | Very low | 175 Ų | 175 | 152.4 Ų | 152.4 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -138.3 | 127 | 151.8 | -143.2 | -85.6 | 0 | 0 | 0 | 111.2 | ||||
| 220 | Q | 45.9 | Very low | 46.2 | Very low | 153 Ų | 153 | 153.3 Ų | 153.3 | 72% | 0.715 | 80% | 0.802 | S | S | * | * | trans | -70.8 | 144.5 | 178.5 | -67.3 | -87.1 | -5.2 | 0 | 0 | 110.6 | ||||
| 221 | Y | 44.3 | Very low | 45.9 | Very low | 207 Ų | 207 | 148.9 Ų | 148.9 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | trans | -158.5 | 101.9 | 133.7 | -128.9 | -81.5 | 0 | 0 | 0 | 112.9 | ||||
| 222 | E | 46.9 | Very low | 46.1 | Very low | 144 Ų | 144 | 146.6 Ų | 146.6 | 67% | 0.673 | 80% | 0.8 | S | S | * | * | trans | 38.9 | 110.6 | 141.8 | -137.5 | 158.8 | 116.4 | 0 | 0 | 121.2 | ||||
| 223 | Q | 43.1 | Very low | 46.5 | Very low | 190 Ų | 190 | 142.9 Ų | 142.9 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -81.9 | 132 | 161 | -67.7 | 175.8 | -9 | 0 | 0 | 110.6 | ||||
| 224 | Q | 47.4 | Very low | 46.7 | Very low | 182 Ų | 182 | 141.3 Ų | 141.3 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | -90.9 | 113.2 | 163 | -74.6 | -174 | -1.1 | 0 | 0 | 110.8 | ||||
| 225 | S | 45.5 | Very low | 47 | Very low | 105 Ų | 105 | 141.7 Ų | 141.7 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -77.4 | 134.9 | 175.2 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | A227 | S225-A227 PolarHBondContact OG-N 3.26Š| ||
| 226 | W | 49.2 | Very low | 47.5 | Very low | 242 Ų | 242 | 143 Ų | 143 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | trans | -112.2 | 83 | 156 | 55.4 | -84.7 | 0 | 0 | 0 | 108.7 | L228 | W226-L228 PolarHBondContact O-N 3.35Š| ||
| 227 | A | 47.4 | Very low | 48.7 | Very low | 70 Ų | 70 | 144 Ų | 144 | 58% | 0.579 | 80% | 0.8 | S | S | * | * | trans | -69.1 | 129.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S225 | S225-A227 PolarHBondContact OG-N 3.26Š| ||
| 228 | L | 41.6 | Very low | 49.1 | Very low | 165 Ų | 165 | 143.1 Ų | 143.1 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | 16.4 | 114.5 | 137.2 | -56.2 | 174.2 | 0 | 0 | 0 | 117.1 | W226 | W226-L228 PolarHBondContact O-N 3.35Š| ||
| 229 | N | 50.7 | Low | 49.9 | Very low | 169 Ų | 169 | 143 Ų | 143 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | trans | -117 | 113.3 | 146.2 | -87.3 | -50.9 | 0 | 0 | 0 | 108.5 | ||||
| 230 | A | 40.3 | Very low | 50.8 | Low | 102 Ų | 102 | 140.4 Ų | 140.4 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | -86.3 | 129.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 231 | A | 46 | Very low | 51.8 | Low | 101 Ų | 101 | 139.2 Ų | 139.2 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -137.8 | 92.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 232 | S | 45.4 | Very low | 52.1 | Low | 114 Ų | 114 | 137.6 Ų | 137.6 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | -24.9 | 128 | 168.1 | -45.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 233 | S | 53.8 | Low | 51.8 | Low | 110 Ų | 110 | 135.1 Ų | 135.1 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | 177.7 | 118.5 | 129.1 | -79.8 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 234 | P | 47.4 | Very low | 52.4 | Low | 129 Ų | 129 | 138 Ų | 138 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | trans | -94.1 | 124.8 | 171.6 | 34 | -27.9 | 0 | 0 | 0 | 111 | ||||
| 235 | L | 54.7 | Low | 52.4 | Low | 171 Ų | 171 | 136.2 Ų | 136.2 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | trans | -131.3 | 122.4 | 170.9 | -94.1 | 163.2 | 0 | 0 | 0 | 111.3 | ||||
| 236 | T | 55.1 | Low | 52.8 | Low | 129 Ų | 129 | 137.3 Ų | 137.3 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 139.9 | -170.1 | -35.4 | 0 | 0 | 0 | 0 | 112.5 | ||
| 237 | P | 65.8 | Low | 52.6 | Low | 111 Ų | 111 | 128.9 Ų | 128.9 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 138.5 | 169.5 | 31.8 | -32.9 | 0 | 0 | 0 | 111.7 | ||
| 238 | P | 63.3 | Low | 52.8 | Low | 118 Ų | 118 | 131.1 Ų | 131.1 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 156.7 | 178.1 | 33.7 | -35.2 | 0 | 0 | 0 | 113.4 | ||
| 239 | P | 65.4 | Low | 53.2 | Low | 115 Ų | 115 | 128.9 Ų | 128.9 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 159.6 | 178.8 | 35.2 | -35.8 | 0 | 0 | 0 | 113.5 | ||
| 240 | P | 67.5 | Low | 53.2 | Low | 122 Ų | 122 | 128.6 Ų | 128.6 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 144.4 | 178.2 | 33.6 | -34.3 | 0 | 0 | 0 | 113 | ||
| 241 | P | 67.5 | Low | 53.2 | Low | 128 Ų | 128 | 127.7 Ų | 127.7 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 159.4 | 178.3 | 34.9 | -35.1 | 0 | 0 | 0 | 114.7 | ||
| 242 | D | 50.5 | Low | 53.5 | Low | 172 Ų | 172 | 134.7 Ų | 134.7 | 92% | 0.92 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 164 | -170.6 | -79.6 | -65.5 | 0 | 0 | 0 | 117.9 | ||
| 243 | A | 40.4 | Very low | 53.5 | Low | 92 Ų | 92 | 140 Ų | 140 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 139.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 244 | R | 55.1 | Low | 53.4 | Low | 250 Ų | 250 | 142 Ų | 142 | 94% | 0.943 | 81% | 0.805 | S | S | * | * | trans | -156.2 | 152.4 | 149.9 | -59.9 | -170.1 | 176.2 | 157.6 | 1.1 | 107.1 | ||||
| 245 | D | 48.6 | Very low | 52.9 | Low | 145 Ų | 145 | 140.2 Ų | 140.2 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | cis | 171.1 | 163.1 | -20.9 | 179.7 | 24.5 | 0 | 0 | 0 | 104.8 | ||||
| 246 | V | 53.6 | Low | 52.5 | Low | 129 Ų | 129 | 139 Ų | 139 | 78% | 0.782 | 80% | 0.8 | S | S | * | * | trans | 75.7 | 125.2 | 164.7 | -154.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 247 | G | 44.8 | Very low | 52.2 | Low | 65 Ų | 65 | 137.3 Ų | 137.3 | 67% | 0.67 | 80% | 0.799 | S | S | * | * | trans | 100.7 | 108.5 | 152.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 248 | S | 50.7 | Low | 51.5 | Low | 117 Ų | 117 | 136.5 Ų | 136.5 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | cis | 56.6 | 122.1 | 40.1 | -135.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 249 | V | 51 | Low | 50.7 | Low | 117 Ų | 117 | 140.3 Ų | 140.3 | 71% | 0.709 | 81% | 0.809 | S | S | * | * | cis | -151.2 | 138.9 | 23.2 | 176.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 250 | N | 51.3 | Low | 50.2 | Low | 164 Ų | 164 | 141.6 Ų | 141.6 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | trans | -173.5 | 101.2 | 135.2 | -107.2 | -23.1 | 0 | 0 | 0 | 113.2 | ||||
| 251 | A | 40 | Very low | 49.5 | Very low | 83 Ų | 83 | 139.1 Ų | 139.1 | 69% | 0.686 | 81% | 0.812 | S | S | * | * | trans | -94.5 | 129.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 252 | R | 52.9 | Low | 48.9 | Very low | 247 Ų | 247 | 144.6 Ų | 144.6 | 93% | 0.932 | 82% | 0.816 | S | S | * | * | trans | 175.9 | 137.8 | 131 | -96.2 | 155.3 | -175 | -152.9 | 0.3 | 113.6 | ||||
| 253 | R | 43.6 | Very low | 49 | Very low | 226 Ų | 226 | 144 Ų | 144 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | 97.2 | 131.6 | 139.5 | -115.9 | -174.5 | 178.4 | 160.9 | -0.6 | 120.4 | ||||
| 254 | L | 51.9 | Low | 50.1 | Low | 153 Ų | 153 | 151.8 Ų | 151.8 | 80% | 0.801 | 82% | 0.823 | S | S | * | * | trans | 85.1 | 88.8 | 155.1 | -56 | 176.4 | 0 | 0 | 0 | 118.5 | ||||
| 255 | A | 37.7 | Very low | 50.1 | Low | 90 Ų | 90 | 148.5 Ų | 148.5 | 74% | 0.744 | 82% | 0.82 | S | S | * | * | trans | -75.9 | 179.9 | 140.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 256 | V | 47 | Very low | 50.4 | Low | 145 Ų | 145 | 150 Ų | 150 | 88% | 0.879 | 83% | 0.826 | S | S | * | * | trans | 103.6 | 104.4 | 173.5 | -177.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 257 | A | 47.7 | Very low | 50.5 | Low | 94 Ų | 94 | 153.2 Ų | 153.2 | 78% | 0.777 | 83% | 0.83 | S | S | * | * | trans | 159.3 | 76.9 | 147.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 258 | A | 51.5 | Low | 51.2 | Low | 94 Ų | 94 | 157.5 Ų | 157.5 | 78% | 0.777 | 84% | 0.837 | S | S | * | * | 66.7 | 108.1 | 78.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 259 | E | 47.2 | Very low | 51.3 | Low | 198 Ų | 198 | 160 Ų | 160 | 93% | 0.925 | 84% | 0.836 | S | S | * | * | trans | -47.7 | 145.3 | 171.7 | -91.1 | 169 | 91.4 | 0 | 0 | 113.9 | ||||
| 260 | T | 55 | Low | 51.3 | Low | 143 Ų | 143 | 164.1 Ų | 164.1 | 88% | 0.877 | 84% | 0.844 | S | S | * | * | trans | -152.7 | 130.3 | 160.5 | -59.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 261 | G | 51.9 | Low | 51.7 | Low | 70 Ų | 70 | 165 Ų | 165 | 72% | 0.722 | 84% | 0.84 | S | S | * | * | trans | 103.6 | 64.5 | 142.1 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 262 | R | 55.2 | Low | 52.3 | Low | 242 Ų | 242 | 166.7 Ų | 166.7 | 91% | 0.913 | 85% | 0.847 | S | S | * | * | trans | -138.5 | 46.6 | 158 | -69.1 | -161.5 | -171 | 88.4 | 1.8 | 114.6 | ||||
| 263 | D | 52.9 | Low | 52.5 | Low | 161 Ų | 161 | 159.9 Ų | 159.9 | 86% | 0.861 | 84% | 0.837 | S | S | * | * | trans | -135.6 | 92.8 | 172.2 | -89.3 | -66.5 | 0 | 0 | 0 | 112.3 | ||||
| 264 | R | 62.9 | Low | 52.8 | Low | 255 Ų | 255 | 155.3 Ų | 155.3 | 96% | 0.962 | 84% | 0.84 | S | S | * | * | trans | -149.6 | 143.8 | 158 | -71.2 | -162 | 177.6 | -173.9 | -0.2 | 111.5 | ||||
| 265 | M | 53.9 | Low | 52.8 | Low | 180 Ų | 180 | 152.5 Ų | 152.5 | 89% | 0.887 | 84% | 0.839 | S | S | * | * | trans | 87.4 | 67.6 | 151.8 | -155.4 | 163.5 | 66.4 | 0 | 0 | 119.1 | ||||
| 266 | I | 56.6 | Low | 53.4 | Low | 176 Ų | 176 | 153.6 Ų | 153.6 | 90% | 0.903 | 84% | 0.841 | S | S | * | * | trans | -135.3 | 102.5 | 141.5 | -41.7 | 175.2 | 0 | 0 | 0 | 109.4 | ||||
| 267 | K | 54.7 | Low | 53.8 | Low | 198 Ų | 198 | 154.7 Ų | 154.7 | 86% | 0.861 | 84% | 0.841 | S | S | * | * | trans | -156.7 | 156.6 | 166.7 | -161.4 | 159 | -175.2 | 170 | 0 | 108.2 | ||||
| 268 | L | 59.3 | Low | 53.8 | Low | 154 Ų | 154 | 154.4 Ų | 154.4 | 81% | 0.806 | 83% | 0.833 | S | S | * | * | trans | 75.1 | 132.6 | -153.8 | -46.6 | 174.8 | 0 | 0 | 0 | 110.2 | ||||
| 269 | E | 52.6 | Low | 53.7 | Low | 170 Ų | 170 | 157.3 Ų | 157.3 | 79% | 0.794 | 84% | 0.835 | S | S | * | * | cis | -145.5 | 141.9 | 9.7 | -160.3 | 161.1 | 106.1 | 0 | 0 | 111.4 | ||||
| 270 | K | 52.5 | Low | 53.9 | Low | 204 Ų | 204 | 153 Ų | 153 | 89% | 0.887 | 83% | 0.827 | S | S | * | * | trans | -132.1 | 101.5 | 175 | 176.8 | 175.7 | 178.1 | 171.9 | 0 | 108.7 | ||||
| 271 | K | 57.9 | Low | 54.1 | Low | 183 Ų | 183 | 151.6 Ų | 151.6 | 80% | 0.796 | 82% | 0.82 | S | S | * | * | trans | -165 | 139.7 | 171.4 | -106.8 | 152.3 | -179.6 | 179.6 | 0 | 110.2 | ||||
| 272 | S | 54.5 | Low | 54.2 | Low | 118 Ų | 118 | 158.1 Ų | 158.1 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | trans | 61.2 | 138.4 | 167.4 | -71.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 273 | S | 55.2 | Low | 53.7 | Low | 103 Ų | 103 | 150.1 Ų | 150.1 | 72% | 0.72 | 82% | 0.824 | S | S | * | * | cis | -149.3 | 138.3 | -7.5 | -78.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 274 | S | 50.7 | Low | 53.7 | Low | 131 Ų | 131 | 149.2 Ų | 149.2 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | trans | -82.5 | 114.8 | 156.1 | 55.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 275 | A | 52.1 | Low | 53.5 | Low | 94 Ų | 94 | 144.3 Ų | 144.3 | 78% | 0.777 | 82% | 0.815 | S | S | * | * | trans | -138.7 | 107.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 276 | S | 50.4 | Low | 53.3 | Low | 113 Ų | 113 | 142.6 Ų | 142.6 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -70.4 | 154.8 | 162.7 | 42.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 277 | L | 55.6 | Low | 53.2 | Low | 167 Ų | 167 | 145 Ų | 145 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | 161.8 | 110.6 | 152.3 | -87.6 | 163.9 | 0 | 0 | 0 | 105.1 | ||||
| 278 | S | 47.4 | Very low | 52.9 | Low | 89 Ų | 89 | 138.5 Ų | 138.5 | 62% | 0.622 | 80% | 0.796 | S | S | * | * | 93.8 | 109.7 | 60.6 | 177.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 279 | L | 49 | Very low | 52.6 | Low | 155 Ų | 155 | 136.8 Ų | 136.8 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | trans | 55.3 | 113.5 | 148.9 | -83.7 | 77.5 | 0 | 0 | 0 | 120.2 | ||||
| 280 | S | 51 | Low | 52.7 | Low | 108 Ų | 108 | 135.8 Ų | 135.8 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | 148.3 | 131.8 | 102.9 | -84.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 281 | P | 60 | Low | 52.9 | Low | 113 Ų | 113 | 134.2 Ų | 134.2 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -96.3 | 141.1 | 166.2 | 36.2 | -29.5 | 0 | 0 | 0 | 111.3 | ||||
| 282 | H | 53.3 | Low | 52.6 | Low | 207 Ų | 207 | 133.1 Ų | 133.1 | 96% | 0.958 | 79% | 0.79 | S | S | * | * | trans | 176.3 | 137.2 | 147.7 | -101.2 | -71.8 | 0 | 0 | 0 | 109 | ||||
| 283 | G | 45.5 | Very low | 52.7 | Low | 74 Ų | 74 | 135.5 Ų | 135.5 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | trans | 158 | 78.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 284 | V | 53.6 | Low | 52.6 | Low | 142 Ų | 142 | 135.2 Ų | 135.2 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -77.7 | 135.2 | 171.9 | 83.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 285 | I | 57.5 | Low | 52.7 | Low | 152 Ų | 152 | 138.1 Ų | 138.1 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | trans | -141.2 | 106.8 | 161.1 | -35.5 | 174.7 | 0 | 0 | 0 | 107.7 | ||||
| 286 | D | 50.4 | Low | 52.7 | Low | 143 Ų | 143 | 140.5 Ų | 140.5 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | trans | -95.4 | 122.4 | 171.5 | -175.8 | -14.9 | 0 | 0 | 0 | 108.4 | ||||
| 287 | R | 54.2 | Low | 53 | Low | 228 Ų | 228 | 140.6 Ų | 140.6 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -151.2 | 106.1 | 157.4 | -66.4 | -165.2 | -157.8 | -145 | 4.2 | 110.5 | ||||
| 288 | G | 47.9 | Very low | 52.5 | Low | 60 Ų | 60 | 135.6 Ų | 135.6 | 62% | 0.619 | 78% | 0.777 | S | S | * | * | 55.2 | 115.6 | 125.7 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 289 | P | 52.9 | Low | 52.9 | Low | 119 Ų | 119 | 138.3 Ų | 138.3 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -74.4 | 162.4 | 170.1 | 36.1 | -36 | 0 | 0 | 0 | 111.3 | ||||
| 290 | D | 54.4 | Low | 52.8 | Low | 148 Ų | 148 | 136.5 Ų | 136.5 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | 176.2 | 161.7 | 151.5 | -88.6 | -25 | 0 | 0 | 0 | 109.4 | ||||
| 291 | K | 57.9 | Low | 53.2 | Low | 171 Ų | 171 | 135.8 Ų | 135.8 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | trans | 78.5 | 80 | 167 | -60.1 | 161.5 | -115.6 | -173.3 | 0 | 117.4 | L293 | K291-L293 PolarHBondContact O-N 3.27Š| ||
| 292 | D | 51.2 | Low | 53.1 | Low | 161 Ų | 161 | 134.6 Ų | 134.6 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | 19.5 | 98.1 | 121.5 | -46.9 | -65.7 | 0 | 0 | 0 | 116.8 | |||||
| 293 | L | 56.2 | Low | 52.9 | Low | 168 Ų | 168 | 132 Ų | 132 | 88% | 0.88 | 76% | 0.764 | S | S | * | * | trans | -121 | 115.7 | 154.9 | -73.3 | 178.1 | 0 | 0 | 0 | 108.2 | K291 F295 | K291-L293 PolarHBondContact O-N 3.27Å; L293-F295 PolarHBondContact O-N 3.44Å | ||
| 294 | A | 53.2 | Low | 53.5 | Low | 96 Ų | 96 | 133.4 Ų | 133.4 | 79% | 0.793 | 76% | 0.762 | S | S | * | * | trans | -56.6 | 132.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | D296 | A294-D296 VanDerWaalsContact C-N 3.28Å; A294-D296 PolarHBondContact O-N 2.96Å | ||
| 295 | F | 52.2 | Low | 53.6 | Low | 193 Ų | 193 | 133.6 Ų | 133.6 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | trans | -73.9 | 90.3 | 165.6 | -142.8 | -85.8 | 0 | 0 | 0 | 107 | L293 V297 | L293-F295 PolarHBondContact O-N 3.44Å; F295-V297 HydrophobicContact CD1-CG2 4.43Å; F295-V297 PolarHBondContact O-N 2.85Å | ||
| 296 | D | 52.9 | Low | 54 | Low | 144 Ų | 144 | 137.3 Ų | 137.3 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | -66.1 | 101.1 | 172.9 | -151.1 | -59.4 | 0 | 0 | 0 | 107.5 | A294 G298 | A294-D296 VanDerWaalsContact C-N 3.28Å; A294-D296 PolarHBondContact O-N 2.96Å; D296-G298 PolarHBondContact O-N 2.96Å | ||
| 297 | V | 57.3 | Low | 54.5 | Low | 114 Ų | 114 | 137.6 Ų | 137.6 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | trans | -71.8 | 86.9 | 176.1 | 176.2 | 0 | 0 | 0 | 0 | 106.4 | F295 N299 | F295-V297 HydrophobicContact CD1-CG2 4.43Å; F295-V297 PolarHBondContact O-N 2.85Å; V297-N299 VanDerWaalsContact C-N 3.31Å; V297-N299 PolarHBondContact O-N 2.73Å | ||
| 298 | G | 45.8 | Very low | 54.9 | Low | 62 Ų | 62 | 133.2 Ų | 133.2 | 64% | 0.639 | 76% | 0.756 | S | S | * | * | trans | -54.2 | 97.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | D296 D300 | D296-G298 PolarHBondContact O-N 2.96Å; G298-D300 PolarHBondContact O-N 3.36Å | ||
| 299 | N | 54.8 | Low | 55.8 | Low | 146 Ų | 146 | 135.2 Ų | 135.2 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | trans | -67.6 | 83.5 | 178.4 | 179.6 | 86.2 | 0 | 0 | 0 | 108.7 | V297 A301 | V297-N299 VanDerWaalsContact C-N 3.31Å; V297-N299 PolarHBondContact O-N 2.73Å; N299-A301 PolarHBondContact O-N 2.95Å; N299-A301 VanDerWaalsContact O-N 3.16Å | ||
| 300 | D | 47.4 | Very low | 56.3 | Low | 118 Ų | 118 | 135.1 Ų | 135.1 | 63% | 0.631 | 76% | 0.758 | S | S | * | * | trans | -62.4 | 113.8 | -179.1 | -162.5 | -58.3 | 0 | 0 | 0 | 109.1 | G298 S302 | G298-D300 PolarHBondContact O-N 3.36Å; D300-S302 PolarHBondContact O-N 3.06Å; D300-S302 WeakPolarHBondContact OD1-CB 3.28Å; D300-S302 PolarHBondContact OD1-OG 2.95Å | ||
| 301 | A | 59.5 | Low | 56.7 | Low | 92 Ų | 92 | 136 Ų | 136 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | 28.5 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | N299 | N299-A301 PolarHBondContact O-N 2.95Å; N299-A301 VanDerWaalsContact O-N 3.16Å |
| 302 | S | 56.3 | Low | 56.7 | Low | 89 Ų | 89 | 132.6 Ų | 132.6 | 62% | 0.622 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | -11.1 | -172.3 | -55.6 | 0 | 0 | 0 | 0 | 114.5 | D300 | D300-S302 PolarHBondContact O-N 3.06Å; D300-S302 WeakPolarHBondContact OD1-CB 3.28Å; D300-S302 PolarHBondContact OD1-OG 2.95Å |
| 303 | D | 49 | Very low | 57.1 | Low | 153 Ų | 153 | 130.3 Ų | 130.3 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -88.2 | -12.1 | -175.9 | -109.8 | -83.7 | 0 | 0 | 0 | 114.5 | L305 | D303-L305 PolarHBondContact O-N 2.91Š|
| 304 | S | 58 | Low | 57 | Low | 103 Ų | 103 | 131.3 Ų | 131.3 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | 8.5 | -175.3 | -52.8 | 0 | 0 | 0 | 0 | 115.8 | ||
| 305 | L | 55.7 | Low | 57.1 | Low | 145 Ų | 145 | 131.6 Ų | 131.6 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -3.6 | -172.2 | -162.5 | 58.4 | 0 | 0 | 0 | 115 | D303 | D303-L305 PolarHBondContact O-N 2.91Š|
| 306 | W | 67.9 | Low | 57.2 | Low | 230 Ų | 230 | 127.9 Ų | 127.9 | 87% | 0.871 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -112.3 | -2.2 | 176.9 | -64.5 | 103.9 | 0 | 0 | 0 | 114.4 | L308 | W306-L308 PolarHBondContact O-N 2.9Š|
| 307 | D | 60.2 | Low | 57.3 | Low | 150 Ų | 150 | 127.8 Ų | 127.8 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | trans | -83.8 | 61.6 | 175.3 | -141.2 | -5.3 | 0 | 0 | 0 | 109.9 | ||||
| 308 | L | 62.5 | Low | 57.4 | Low | 136 Ų | 136 | 133.5 Ų | 133.5 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 126.5 | 171.3 | -76.1 | 169.4 | 0 | 0 | 0 | 108.3 | W306 | W306-L308 PolarHBondContact O-N 2.9Š|
| 309 | P | 66.6 | Low | 57.8 | Low | 101 Ų | 101 | 136 Ų | 136 | 66% | 0.656 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 147.5 | 176.4 | 26.2 | -34.3 | 0 | 0 | 0 | 109.8 | I311 | P309-I311 PolarHBondContact O-N 2.88Å; P309-I311 VanDerWaalsContact O-N 3.14Å |
| 310 | P | 64.4 | Low | 58 | Low | 117 Ų | 117 | 137.1 Ų | 137.1 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 125.3 | 177.9 | 24.1 | -33.7 | 0 | 0 | 0 | 109 | C312 | P310-C312 PolarHBondContact O-N 2.85Š|
| 311 | I | 62.4 | Low | 58.5 | Low | 166 Ų | 166 | 138.4 Ų | 138.4 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | -62.4 | 100.5 | -179.3 | -60.5 | 172.1 | 0 | 0 | 0 | 107.5 | P309 | P309-I311 PolarHBondContact O-N 2.88Å; P309-I311 VanDerWaalsContact O-N 3.14Å | ||
| 312 | C | 57.3 | Low | 58.2 | Low | 100 Ų | 100 | 147.3 Ų | 147.3 | 68% | 0.676 | 81% | 0.805 | S | S | * | * | trans | -56.2 | 124 | 178 | -69.1 | 0 | 0 | 0 | 0 | 109 | P310 L314 | P310-C312 PolarHBondContact O-N 2.85Å; C312-L314 PolarHBondContact O-N 3.08Å; C312-L314 VanDerWaalsContact O-N 3.09Å | ||
| 313 | P | 58.7 | Low | 58.3 | Low | 114 Ų | 114 | 150.2 Ų | 150.2 | 74% | 0.74 | 81% | 0.814 | S | S | * | * | trans | -64.5 | 117.2 | 179.1 | 25.2 | -32.6 | 0 | 0 | 0 | 109.2 | S315 | P313-S315 PolarHBondContact O-N 3.37Š| ||
| 314 | L | 55.8 | Low | 58.8 | Low | 189 Ų | 189 | 150.1 Ų | 150.1 | 99% | 0.99 | 81% | 0.814 | S | S | * | * | trans | -66.1 | 78.4 | 169.6 | -111.9 | 78.8 | 0 | 0 | 0 | 109 | C312 | C312-L314 PolarHBondContact O-N 3.08Å; C312-L314 VanDerWaalsContact O-N 3.09Å | ||
| 315 | S | 54 | Low | 58.8 | Low | 102 Ų | 102 | 152.7 Ų | 152.7 | 71% | 0.713 | 82% | 0.819 | S | S | * | * | trans | -152.5 | 42.6 | -169.2 | -175.6 | 0 | 0 | 0 | 0 | 112.5 | P313 | P313-S315 PolarHBondContact O-N 3.37Š| ||
| 316 | S | 55.1 | Low | 59 | Low | 115 Ų | 115 | 153.1 Ų | 153.1 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -164.3 | 63.3 | 157.3 | -154.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 317 | C | 53.9 | Low | 58.5 | Low | 142 Ų | 142 | 148.3 Ų | 148.3 | 96% | 0.959 | 82% | 0.82 | S | S | * | * | trans | -121.9 | 63.4 | 165.4 | -70.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 318 | R | 61.1 | Low | 58.3 | Low | 234 Ų | 234 | 148.2 Ų | 148.2 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -144.5 | 109.4 | 176.6 | -169.7 | 153.7 | 173.8 | 157.6 | -7.1 | 111.8 | ||
| 319 | S | 54.2 | Low | 58 | Low | 115 Ų | 115 | 149.1 Ų | 149.1 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | 59.8 | 81.1 | 148.8 | -171.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 320 | M | 58.1 | Low | 57.4 | Low | 168 Ų | 168 | 152.8 Ų | 152.8 | 83% | 0.828 | 84% | 0.842 | S | S | * | * | trans | -144.9 | 143.2 | 147.5 | -86.8 | -162.2 | -88.3 | 0 | 0 | 107.8 | ||||
| 321 | M | 58.6 | Low | 56.8 | Low | 146 Ų | 146 | 155.8 Ų | 155.8 | 72% | 0.719 | 85% | 0.849 | S | S | * | * | cis | -171.3 | 139.7 | -15.4 | -125.7 | 171.3 | -167.7 | 0 | 0 | 106.8 | ||||
| 322 | F | 52.4 | Low | 56.3 | Low | 278 Ų | 278 | 154.8 Ų | 154.8 | 100% | 1.219 | 85% | 0.849 | S | S | * | * | trans | 66.8 | 0 | 178.5 | -67.5 | -85.3 | 0 | 0 | 0 | 117.6 |
Retrieved 322 of 322 residues in 55.2 ms
(Link to these results)