| 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 | 40.5 | Very low | 35.7 | Very low | 254 Ų | 254 | 142.8 Ų | 142.8 | 100% | 1.251 | 85% | 0.849 | S | S | * | * | 0 | 116.6 | 0 | -67.5 | 171.5 | 178.1 | 0 | 0 | 107.3 | |||||
| 2 | G | 33.1 | Very low | 35.4 | Very low | 73 Ų | 73 | 138.3 Ų | 138.3 | 75% | 0.753 | 84% | 0.84 | S | S | * | * | trans | -150.5 | 133 | 178.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 3 | C | 35.2 | Very low | 35.4 | Very low | 135 Ų | 135 | 140.1 Ų | 140.1 | 91% | 0.912 | 84% | 0.84 | S | S | * | * | trans | -104.3 | 109.1 | -175.1 | -68.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 4 | T | 34.8 | Very low | 35.8 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 75% | 0.748 | 84% | 0.84 | S | S | * | * | trans | -59.3 | 168.6 | 139.8 | 27.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 5 | I | 36.3 | Very low | 35.7 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 62% | 0.621 | 83% | 0.834 | S | S | * | * | cis | -147.7 | 177.5 | 4.1 | 11 | -163.7 | 0 | 0 | 0 | 106.2 | ||||
| 6 | Y | 32.4 | Very low | 35.4 | Very low | 209 Ų | 209 | 137.9 Ų | 137.9 | 82% | 0.82 | 84% | 0.837 | S | S | * | * | cis | -144.9 | 177.2 | 26.3 | -88.6 | -78.8 | 0 | 0 | 0 | 111.5 | ||||
| 7 | A | 33.8 | Very low | 35.2 | Very low | 100 Ų | 100 | 140.8 Ų | 140.8 | 83% | 0.826 | 84% | 0.84 | S | S | * | * | trans | -120.5 | 152.8 | 156.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 8 | A | 34.2 | Very low | 35 | Very low | 107 Ų | 107 | 139.1 Ų | 139.1 | 88% | 0.884 | 84% | 0.843 | S | S | * | * | trans | -129.8 | 134.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 9 | S | 37.1 | Very low | 34.7 | Very low | 114 Ų | 114 | 145.2 Ų | 145.2 | 80% | 0.797 | 85% | 0.849 | S | S | * | * | trans | -134.1 | 135.6 | -180 | 170.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 10 | P | 43 | Very low | 34.4 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 81% | 0.805 | 85% | 0.845 | S | S | * | * | trans | -91.4 | 143.2 | 165.7 | -8.6 | 27.9 | 0 | 0 | 0 | 112.4 | ||||
| 11 | K | 32.3 | Very low | 34.1 | Very low | 212 Ų | 212 | 142.9 Ų | 142.9 | 92% | 0.922 | 84% | 0.842 | S | S | * | * | trans | -78.5 | 169.8 | 177.7 | -70.6 | 174.3 | 174.2 | 175.7 | 0 | 112.6 | ||||
| 12 | A | 31.9 | Very low | 33.3 | Very low | 89 Ų | 89 | 137.2 Ų | 137.2 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | trans | -108 | 171.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 13 | L | 36.3 | Very low | 33.1 | Very low | 161 Ų | 161 | 145.1 Ų | 145.1 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | trans | 78.7 | 152.5 | 164.6 | -66.1 | 177.8 | 0 | 0 | 0 | 117.2 | ||||
| 14 | P | 40.2 | Very low | 32.7 | Very low | 129 Ų | 129 | 147.8 Ų | 147.8 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | cis | -118 | -178.3 | 20.3 | 41.2 | -28.2 | 0 | 0 | 0 | 117.1 | ||||
| 15 | A | 34.4 | Very low | 32.4 | Very low | 92 Ų | 92 | 153.1 Ų | 153.1 | 76% | 0.76 | 82% | 0.824 | S | S | * | * | trans | -99.2 | 160.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 16 | D | 30.5 | Very low | 31.9 | Very low | 165 Ų | 165 | 155 Ų | 155 | 88% | 0.882 | 83% | 0.831 | S | S | * | * | trans | -148.8 | 153.2 | 161.9 | -155.4 | -5.3 | 0 | 0 | 0 | 110.4 | ||||
| 17 | E | 32.7 | Very low | 31.7 | Very low | 187 Ų | 187 | 152.3 Ų | 152.3 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | trans | -92.7 | 137.7 | -175.1 | -71.8 | -175.3 | 84.9 | 0 | 0 | 112.8 | ||||
| 18 | A | 30.9 | Very low | 31.5 | Very low | 109 Ų | 109 | 152.8 Ų | 152.8 | 90% | 0.901 | 82% | 0.824 | S | S | * | * | trans | -154.8 | 140 | 154.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 19 | R | 29.3 | Very low | 31.2 | Very low | 255 Ų | 255 | 156.3 Ų | 156.3 | 96% | 0.962 | 82% | 0.822 | S | S | * | * | trans | -109.4 | 127.5 | -177 | 175.1 | -173.8 | -178.4 | -174.9 | 2 | 109.2 | ||||
| 20 | G | 28.5 | Very low | 30.6 | Very low | 74 Ų | 74 | 161.5 Ų | 161.5 | 76% | 0.763 | 83% | 0.826 | S | S | * | * | trans | -171.9 | 128.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 21 | Q | 28 | Very low | 29.8 | Very low | 168 Ų | 168 | 160.5 Ų | 160.5 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | -47.4 | 151.5 | -177.3 | -109.6 | 88.9 | -16.7 | 0 | 0 | 120 | ||||
| 22 | D | 25.3 | Very low | 29.5 | Very low | 135 Ų | 135 | 158.8 Ų | 158.8 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | trans | 36.6 | 120.5 | 135.9 | -60.1 | -38.5 | 0 | 0 | 0 | 121.6 | ||||
| 23 | R | 28.5 | Very low | 29.6 | Very low | 239 Ų | 239 | 160 Ų | 160 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | -173.3 | 132.5 | 106.6 | -99.3 | 165.9 | -169 | -166.6 | 4.1 | 114.5 | |||||
| 24 | Y | 27.4 | Very low | 29.3 | Very low | 192 Ų | 192 | 162 Ų | 162 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | trans | -9.4 | 127.9 | 157.7 | -66.5 | -96.4 | 0 | 0 | 0 | 119.3 | ||||
| 25 | Y | 27.6 | Very low | 29 | Very low | 233 Ų | 233 | 158.8 Ų | 158.8 | 91% | 0.914 | 81% | 0.805 | S | S | * | * | -142.1 | 121.3 | 124.6 | -88.6 | -72.8 | 0 | 0 | 0 | 110.5 | |||||
| 26 | Q | 26.3 | Very low | 29 | Very low | 162 Ų | 162 | 159 Ų | 159 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 119.6 | -178.3 | -158.8 | 104.3 | -11.9 | 0 | 0 | 109.8 | ||
| 27 | L | 28.2 | Very low | 29.3 | Very low | 151 Ų | 151 | 154.3 Ų | 154.3 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 143.4 | 166.4 | -96.9 | 84.3 | 0 | 0 | 0 | 110.8 | ||
| 28 | P | 30.1 | Very low | 29.6 | Very low | 110 Ų | 110 | 150 Ų | 150 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 136.2 | -169.3 | 29.2 | -34.8 | 0 | 0 | 0 | 113.1 | Y30 | P28-Y30 PolarHBondContact O-N 3.15Š|
| 29 | H | 26.5 | Very low | 30 | Very low | 181 Ų | 181 | 150.8 Ų | 150.8 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 117.2 | 164.8 | -77.8 | -109.9 | 0 | 0 | 0 | 110 | ||
| 30 | Y | 24.9 | Very low | 30.4 | Very low | 224 Ų | 224 | 145.8 Ų | 145.8 | 88% | 0.878 | 73% | 0.729 | S | S | * | * | trans | -90.5 | 103.6 | 163.7 | -128.7 | -91.6 | 0 | 0 | 0 | 109.1 | P28 H32 | P28-Y30 PolarHBondContact O-N 3.15Å; Y30-H32 PolarHBondContact O-N 3.44Å | ||
| 31 | S | 25.5 | Very low | 31 | Very low | 103 Ų | 103 | 145.4 Ų | 145.4 | 72% | 0.72 | 71% | 0.709 | S | S | * | * | trans | -71.6 | 120.1 | 177.8 | 32.2 | 0 | 0 | 0 | 0 | 110.7 | P33 | S31-P33 VanDerWaalsContact O-CD 3.31Å; S31-P33 WeakPolarHBondContact O-CD 3.4Å | ||
| 32 | H | 27.7 | Very low | 31.5 | Very low | 175 Ų | 175 | 140.1 Ų | 140.1 | 81% | 0.81 | 69% | 0.694 | S | S | * | * | trans | -72 | 120.7 | 171.3 | -99.5 | -75.7 | 0 | 0 | 0 | 111 | Y30 Y34 | Y30-H32 PolarHBondContact O-N 3.44Å; H32-Y34 PolarHBondContact O-N 3.03Å | ||
| 33 | P | 33.1 | Very low | 32.1 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 75% | 0.747 | 68% | 0.683 | S | S | * | * | trans | -89.7 | 77.7 | 170.4 | 35.7 | -30.5 | 0 | 0 | 0 | 109.8 | S31 | S31-P33 VanDerWaalsContact O-CD 3.31Å; S31-P33 WeakPolarHBondContact O-CD 3.4Å | ||
| 34 | Y | 30.6 | Very low | 32.5 | Very low | 202 Ų | 202 | 129.4 Ų | 129.4 | 79% | 0.792 | 67% | 0.669 | S | S | * | * | trans | -131.1 | 69.7 | 167 | -90.2 | -81.7 | 0 | 0 | 0 | 110.6 | H32 | H32-Y34 PolarHBondContact O-N 3.03Š| ||
| 35 | G | 32.7 | Very low | 33 | Very low | 62 Ų | 62 | 128.6 Ų | 128.6 | 64% | 0.639 | 67% | 0.665 | S | S | * | * | trans | -67.5 | 164.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 36 | N | 35.2 | Very low | 33.4 | Very low | 98 Ų | 98 | 120.1 Ų | 120.1 | 52% | 0.524 | 64% | 0.643 | S | S | . | * | trans | 76.9 | 20.6 | 158.6 | -60.1 | 3.3 | 0 | 0 | 0 | 120 | Q39 | N36-Q39 PolarHBondContact ND2-OE1 3.3Å; N36-Q39 VanDerWaalsContact OD1-CD 3.24Å; N36-Q39 PolarHBondContact OD1-OE1 2.83Å | ||
| 37 | C | 36.3 | Very low | 33.9 | Very low | 65 Ų | 65 | 122.6 Ų | 122.6 | 44% | 0.439 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -74.8 | -50.3 | 152.4 | -166.2 | 0 | 0 | 0 | 0 | 111.1 | Q39 R40 | C37-Q39 PolarHBondContact O-N 2.88Å; C37-R40 PolarHBondContact O-N 3.16Å |
| 38 | S | 39.6 | Very low | 34.3 | Very low | 96 Ų | 96 | 117.7 Ų | 117.7 | 67% | 0.671 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64.7 | -36 | -175.9 | -53.7 | 0 | 0 | 0 | 0 | 114.3 | R40 I41 A42 | S38-R40 PolarHBondContact O-N 3.22Å; S38-I41 PolarHBondContact O-N 3.44Å; S38-A42 WeakPolarHBondContact O-CB 3.4Å; S38-A42 PolarHBondContact O-N 2.96Å |
| 39 | Q | 38.3 | Very low | 34.8 | Very low | 126 Ų | 126 | 120.1 Ų | 120.1 | 59% | 0.589 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.4 | -35.8 | -177.6 | -74.3 | -175.1 | -6.3 | 0 | 0 | 112.9 | N36 C37 A42 A43 | N36-Q39 PolarHBondContact ND2-OE1 3.3Å; N36-Q39 VanDerWaalsContact OD1-CD 3.24Å; N36-Q39 PolarHBondContact OD1-OE1 2.83Å; C37-Q39 PolarHBondContact O-N 2.88Å; Q39-A42 PolarHBondContact O-N 3.21Å; Q39-A43 WeakPolarHBondContact O-CB 3.2Å; Q39-A43 PolarHBondContact O-N 2.61Å |
| 40 | R | 37.6 | Very low | 35.2 | Very low | 151 Ų | 151 | 115.7 Ų | 115.7 | 57% | 0.57 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -70.7 | -36 | 177.9 | -63.1 | -172.6 | 68.3 | -177.7 | -1.4 | 112 | C37 S38 C44 | C37-R40 PolarHBondContact O-N 3.16Å; S38-R40 PolarHBondContact O-N 3.22Å; R40-C44 PolarHBondContact O-N 3.01Å; R40-C44 PolarHBondContact O-SG 2.91Å; R40-C44 VanDerWaalsContact O-SG 3.42Å |
| 41 | I | 41.3 | Very low | 35.6 | Very low | 66 Ų | 66 | 113 Ų | 113 | 34% | 0.338 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.5 | -44.7 | 173.9 | -60.3 | 168.1 | 0 | 0 | 0 | 110.1 | S38 C44 R45 W147 | S38-I41 PolarHBondContact O-N 3.44Å; I41-C44 PolarHBondContact O-N 3.23Å; I41-R45 WeakPolarHBondContact O-CB 3.48Å; I41-R45 PolarHBondContact O-N 3.3Å; I41-R45 VanDerWaalsContact O-N 3.07Å; I41-W147 HydrophobicContact CD1-CH2 3.89Å; I41-W147 HydrophobicContact CG1-CH2 4.42Å |
| 42 | A | 39.7 | Very low | 36.2 | Very low | 57 Ų | 57 | 113.4 Ų | 113.4 | 47% | 0.471 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -61.3 | -42.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S38 Q39 R45 A46 | S38-A42 WeakPolarHBondContact O-CB 3.4Å; S38-A42 PolarHBondContact O-N 2.96Å; Q39-A42 PolarHBondContact O-N 3.21Å; A42-R45 CarbonylContact O-C 3.47Å; A42-R45 PolarHBondContact O-N 3.03Å; A42-A46 VanDerWaalsContact O-CB 3.3Å; A42-A46 WeakPolarHBondContact O-CB 3.49Å; A42-A46 PolarHBondContact O-N 3.09Å |
| 43 | A | 37.2 | Very low | 36.4 | Very low | 59 Ų | 59 | 112.5 Ų | 112.5 | 49% | 0.488 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.4 | -43.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q39 R45 A46 R47 | Q39-A43 WeakPolarHBondContact O-CB 3.2Å; Q39-A43 PolarHBondContact O-N 2.61Å; A43-R45 VanDerWaalsContact C-N 3.3Å; A43-R45 PolarHBondContact O-N 3.29Å; A43-A46 PolarHBondContact O-N 2.98Å; A43-R47 WeakPolarHBondContact O-CB 3.26Å; A43-R47 PolarHBondContact O-N 2.7Å |
| 44 | C | 37.2 | Very low | 36.3 | Very low | 90 Ų | 90 | 116.2 Ų | 116.2 | 61% | 0.608 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.7 | -35.8 | 173.8 | -68.4 | 0 | 0 | 0 | 0 | 112.4 | R40 I41 A48 | R40-C44 PolarHBondContact O-N 3.01Å; R40-C44 PolarHBondContact O-SG 2.91Å; R40-C44 VanDerWaalsContact O-SG 3.42Å; I41-C44 PolarHBondContact O-N 3.23Å; C44-A48 PolarHBondContact O-N 2.94Å |
| 45 | R | 37.3 | Very low | 36.4 | Very low | 174 Ų | 174 | 115.3 Ų | 115.3 | 66% | 0.657 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -75.7 | -34.6 | 178.3 | -147.3 | 176.7 | -152.8 | 166.4 | 5.8 | 112.8 | I41 A42 A43 A48 R49 | I41-R45 WeakPolarHBondContact O-CB 3.48Å; I41-R45 PolarHBondContact O-N 3.3Å; I41-R45 VanDerWaalsContact O-N 3.07Å; A42-R45 CarbonylContact O-C 3.47Å; A42-R45 PolarHBondContact O-N 3.03Å; A43-R45 VanDerWaalsContact C-N 3.3Å; A43-R45 PolarHBondContact O-N 3.29Å; R45-A48 PolarHBondContact O-N 2.86Å; R45-R49 PolarHBondContact O-N 3.02Å |
| 46 | A | 36.3 | Very low | 36.2 | Very low | 56 Ų | 56 | 121.7 Ų | 121.7 | 46% | 0.463 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -70.9 | -41.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A42 A43 A48 R49 S50 | A42-A46 VanDerWaalsContact O-CB 3.3Å; A42-A46 WeakPolarHBondContact O-CB 3.49Å; A42-A46 PolarHBondContact O-N 3.09Å; A43-A46 PolarHBondContact O-N 2.98Å; A46-A48 PolarHBondContact O-N 2.89Å; A46-R49 PolarHBondContact O-N 3.44Å; A46-S50 PolarHBondContact O-N 3.27Å |
| 47 | R | 36 | Very low | 35.8 | Very low | 213 Ų | 213 | 126.9 Ų | 126.9 | 80% | 0.804 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -63.5 | -22.1 | 174.3 | -163 | 175.2 | -168.5 | 177.5 | 5.6 | 113.3 | A43 | A43-R47 WeakPolarHBondContact O-CB 3.26Å; A43-R47 PolarHBondContact O-N 2.7Å |
| 48 | A | 38.4 | Very low | 35.3 | Very low | 48 Ų | 48 | 126.9 Ų | 126.9 | 40% | 0.397 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -83.2 | -23.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | C44 R45 A46 F83 | C44-A48 PolarHBondContact O-N 2.94Å; R45-A48 PolarHBondContact O-N 2.86Å; A46-A48 PolarHBondContact O-N 2.89Å; A48-F83 HydrophobicContact CB-CZ 4.39Å |
| 49 | R | 40.5 | Very low | 34.8 | Very low | 162 Ų | 162 | 131.3 Ų | 131.3 | 61% | 0.611 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -88.2 | -37.6 | 179.3 | -75.8 | -178.9 | 174 | -174.4 | -6.2 | 113.5 | R45 A46 M51 T52 | R45-R49 PolarHBondContact O-N 3.02Å; A46-R49 PolarHBondContact O-N 3.44Å; R49-M51 PolarHBondContact O-N 3.44Å; R49-T52 PolarHBondContact O-N 2.92Å; R49-T52 PolarHBondContact O-OG1 3.48Å |
| 50 | S | 34.2 | Very low | 34.4 | Very low | 88 Ų | 88 | 130.7 Ų | 130.7 | 62% | 0.615 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 3 | -178.4 | 83.1 | 0 | 0 | 0 | 0 | 114.9 | A46 | A46-S50 PolarHBondContact O-N 3.27Š|
| 51 | M | 32.1 | Very low | 33.8 | Very low | 166 Ų | 166 | 130.1 Ų | 130.1 | 82% | 0.818 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 4.4 | 171.2 | -70 | -72.1 | -65.9 | 0 | 0 | 112.3 | R49 | R49-M51 PolarHBondContact O-N 3.44Š|
| 52 | T | 39.2 | Very low | 33 | Very low | 112 Ų | 112 | 130.2 Ų | 130.2 | 69% | 0.687 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -127.4 | 1.9 | -175.6 | 15.7 | 0 | 0 | 0 | 0 | 114.6 | R49 | R49-T52 PolarHBondContact O-N 2.92Å; R49-T52 PolarHBondContact O-OG1 3.48Å |
| 53 | E | 32.4 | Very low | 32.3 | Very low | 156 Ų | 156 | 135.5 Ų | 135.5 | 73% | 0.729 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -126.9 | 51.9 | -174.2 | -66.9 | -179.8 | 122.6 | 0 | 0 | 112.5 | ||
| 54 | Q | 31.1 | Very low | 31.6 | Very low | 193 Ų | 193 | 140.5 Ų | 140.5 | 90% | 0.902 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -134.3 | 13.5 | 173.3 | -105.3 | -166 | -19.4 | 0 | 0 | 116.3 | ||
| 55 | Q | 32.6 | Very low | 31 | Very low | 183 Ų | 183 | 141.5 Ų | 141.5 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -145.3 | 93.1 | 172.3 | -165.3 | 159.9 | -9.4 | 0 | 0 | 111.2 | ||
| 56 | E | 28.5 | Very low | 30.9 | Very low | 196 Ų | 196 | 139.1 Ų | 139.1 | 92% | 0.916 | 75% | 0.754 | S | S | * | * | trans | 172.3 | 119.4 | 130.3 | -93.9 | -177.1 | 140.6 | 0 | 0 | 111.1 | ||||
| 57 | Q | 25.8 | Very low | 30.5 | Very low | 207 Ų | 207 | 144.9 Ų | 144.9 | 97% | 0.967 | 77% | 0.771 | S | S | * | * | trans | -157.9 | 127 | 168.1 | -133.8 | 170.8 | 20.7 | 0 | 0 | 110.7 | ||||
| 58 | G | 27.2 | Very low | 30.2 | Very low | 65 Ų | 65 | 141.4 Ų | 141.4 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | trans | 124.3 | 100.6 | -177 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 59 | E | 28.6 | Very low | 29.9 | Very low | 190 Ų | 190 | 147.1 Ų | 147.1 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | 67.6 | 134.5 | 89.4 | -76.1 | -156.2 | 107 | 0 | 0 | 114.2 | |||||
| 60 | V | 28.3 | Very low | 29.6 | Very low | 113 Ų | 113 | 146.3 Ų | 146.3 | 69% | 0.685 | 80% | 0.799 | S | S | * | * | cis | -164.5 | 148 | -2.6 | 105.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 61 | T | 26 | Very low | 29.6 | Very low | 138 Ų | 138 | 147.6 Ų | 147.6 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | trans | 50.7 | 127.4 | 156 | -51.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 62 | G | 23.6 | Very low | 29.6 | Very low | 69 Ų | 69 | 144.5 Ų | 144.5 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | 149.9 | 102.8 | 144.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 63 | L | 25.2 | Very low | 29.2 | Very low | 167 Ų | 167 | 147.5 Ų | 147.5 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | 39.9 | 122.5 | 146.9 | -72.7 | 164.9 | 0 | 0 | 0 | 124.2 | ||||
| 64 | L | 23.9 | Very low | 29.2 | Very low | 165 Ų | 165 | 146.5 Ų | 146.5 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | 45.1 | 111.5 | 131.9 | -129.2 | 100.6 | 0 | 0 | 0 | 121.7 | ||||
| 65 | S | 23.6 | Very low | 29.3 | Very low | 111 Ų | 111 | 144.5 Ų | 144.5 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | 172.4 | 146.5 | 119.4 | -171.9 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 66 | T | 34.3 | Very low | 29.1 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | trans | -75.9 | 136.7 | 165.5 | 45.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 67 | H | 28.7 | Very low | 29.4 | Very low | 177 Ų | 177 | 137.4 Ų | 137.4 | 82% | 0.819 | 78% | 0.777 | S | S | * | * | trans | -165.6 | 137.4 | 138.5 | -130.3 | -83.8 | 0 | 0 | 0 | 112 | ||||
| 68 | D | 30.7 | Very low | 30.2 | Very low | 140 Ų | 140 | 136.7 Ų | 136.7 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | trans | -65.9 | 143.9 | 165.7 | -54.6 | -99.9 | 0 | 0 | 0 | 111.2 | ||||
| 69 | L | 30.8 | Very low | 30.5 | Very low | 168 Ų | 168 | 136.7 Ų | 136.7 | 88% | 0.88 | 77% | 0.773 | S | S | * | * | 177.6 | 152.9 | 128.9 | -92.5 | 162.5 | 0 | 0 | 0 | 111.9 | |||||
| 70 | D | 34.4 | Very low | 30.7 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | trans | -69.5 | 146.9 | -174.8 | -177 | 26.9 | 0 | 0 | 0 | 114.1 | ||||
| 71 | P | 34.6 | Very low | 30.8 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 75% | 0.747 | 76% | 0.761 | S | S | * | * | trans | -132.7 | 131.6 | 146 | 36.2 | -23.3 | 0 | 0 | 0 | 114.7 | ||||
| 72 | S | 32.8 | Very low | 31.2 | Very low | 101 Ų | 101 | 140 Ų | 140 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | -70.9 | 134.7 | 163.4 | 52.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 73 | K | 30.4 | Very low | 31.4 | Very low | 175 Ų | 175 | 144.7 Ų | 144.7 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | 162.8 | 137.7 | 118.5 | -93.3 | -170.6 | 163.6 | -166.1 | 0 | 114.7 | |||||
| 74 | D | 31.9 | Very low | 31.6 | Very low | 135 Ų | 135 | 142.2 Ų | 142.2 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | trans | 46.4 | 125.6 | 136 | -49.5 | -33.1 | 0 | 0 | 0 | 122.3 | ||||
| 75 | D | 32.6 | Very low | 32.3 | Very low | 151 Ų | 151 | 137.6 Ų | 137.6 | 81% | 0.807 | 72% | 0.721 | S | S | * | * | trans | 113.1 | 156.9 | 140.1 | -136 | -1.6 | 0 | 0 | 0 | 120.2 | ||||
| 76 | D | 29.2 | Very low | 33.2 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 72% | 0.722 | 71% | 0.705 | S | S | * | * | trans | 72.2 | 47.3 | 170.7 | -71.7 | -44.2 | 0 | 0 | 0 | 120.3 | H78 | D76-H78 VanDerWaalsContact C-N 3.32Å; D76-H78 PolarHBondContact O-N 3.36Å; D76-H78 VanDerWaalsContact O-N 3.15Å | ||
| 77 | T | 34.3 | Very low | 33.6 | Very low | 94 Ų | 94 | 138.2 Ų | 138.2 | 58% | 0.577 | 70% | 0.704 | S | S | * | * | trans | -86.6 | 59.6 | 164.6 | -50.1 | 0 | 0 | 0 | 0 | 113.6 | F81 | T77-F81 HydrophobicContact CG2-CD2 4.32Å; T77-F81 HydrophobicContact CG2-CE2 3.99Å | ||
| 78 | H | 43.4 | Very low | 34.3 | Very low | 192 Ų | 192 | 135.5 Ų | 135.5 | 89% | 0.889 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -115.3 | 30.1 | 173.9 | -90.4 | -72.9 | 0 | 0 | 0 | 114.8 | D76 | D76-H78 VanDerWaalsContact C-N 3.32Å; D76-H78 PolarHBondContact O-N 3.36Å; D76-H78 VanDerWaalsContact O-N 3.15Å |
| 79 | G | 33.8 | Very low | 35 | Very low | 66 Ų | 66 | 130.8 Ų | 130.8 | 68% | 0.68 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -135.9 | -26.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 80 | H | 31.9 | Very low | 35.9 | Very low | 136 Ų | 136 | 125.4 Ų | 125.4 | 63% | 0.63 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -86.3 | -15.3 | -162.2 | -135.3 | 64.9 | 0 | 0 | 0 | 115.8 | R82 | H80-R82 PolarHBondContact O-N 3.25Š|
| 81 | F | 30.2 | Very low | 36.7 | Very low | 154 Ų | 154 | 126.3 Ų | 126.3 | 68% | 0.675 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -67.1 | -6.7 | -170.1 | -92.5 | -79.6 | 0 | 0 | 0 | 116.9 | T77 | T77-F81 HydrophobicContact CG2-CD2 4.32Å; T77-F81 HydrophobicContact CG2-CE2 3.99Å |
| 82 | R | 34.4 | Very low | 37.4 | Very low | 221 Ų | 221 | 125.9 Ų | 125.9 | 83% | 0.834 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -100.4 | -12.5 | -167.6 | -153.9 | 172.7 | 174.4 | 124.1 | 2.8 | 115.6 | H80 | H80-R82 PolarHBondContact O-N 3.25Š|
| 83 | F | 28.4 | Very low | 38.5 | Very low | 166 Ų | 166 | 124.1 Ų | 124.1 | 73% | 0.728 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | -23.1 | -178.9 | -79.6 | -79 | 0 | 0 | 0 | 115.1 | A48 | A48-F83 HydrophobicContact CB-CZ 4.39Š|
| 84 | Q | 28.3 | Very low | 39.7 | Very low | 116 Ų | 116 | 115.9 Ų | 115.9 | 54% | 0.542 | 58% | 0.576 | S | S | . | * | G | 310 helix | trans | -80.2 | -26.9 | -179 | -91.2 | 164.9 | -26.8 | 0 | 0 | 115.1 | I86 E87 | Q84-I86 PolarHBondContact O-N 3.28Å; Q84-E87 PolarHBondContact O-N 2.95Å |
| 85 | L | 38.8 | Very low | 40.7 | Very low | 67 Ų | 67 | 114 Ų | 114 | 35% | 0.351 | 56% | 0.561 | S | S | . | * | G | 310 helix | trans | -71.5 | 11.6 | -175 | -66 | 174.7 | 0 | 0 | 0 | 115.8 | D88 T214 V218 | L85-D88 WeakPolarHBondContact CD2-OD2 3.37Å; L85-T214 PolarHBondContact O-OG1 3.13Å; L85-V218 HydrophobicContact CD1-CG2 4.34Å |
| 86 | I | 43.3 | Very low | 41.8 | Very low | 87 Ų | 87 | 114.7 Ų | 114.7 | 45% | 0.446 | 56% | 0.557 | S | S | . | * | G | 310 helix | trans | -96.1 | -21.7 | 169.8 | -63.2 | 177.2 | 0 | 0 | 0 | 110.9 | Q84 | Q84-I86 PolarHBondContact O-N 3.28Š|
| 87 | E | 43.3 | Very low | 43 | Very low | 161 Ų | 161 | 108.6 Ų | 108.6 | 75% | 0.752 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -17.5 | -179.7 | -70.6 | -172.3 | 114.8 | 0 | 0 | 114.2 | Q84 L89 | Q84-E87 PolarHBondContact O-N 2.95Å; E87-L89 PolarHBondContact O-N 2.99Å |
| 88 | D | 42.6 | Very low | 44 | Very low | 121 Ų | 121 | 106.8 Ų | 106.8 | 65% | 0.647 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 5.3 | 179.7 | -70.1 | -33.5 | 0 | 0 | 0 | 115.1 | L85 S90 | L85-D88 WeakPolarHBondContact CD2-OD2 3.37Å; D88-S90 PolarHBondContact O-N 2.94Å; D88-S90 VanDerWaalsContact O-N 3.09Å |
| 89 | L | 45.5 | Very low | 44.3 | Very low | 40 Ų | 40 | 108.4 Ų | 108.4 | 21% | 0.209 | 51% | 0.506 | C | S | . | . | S | Bend | trans | -77.2 | 90.6 | 162.8 | -90.7 | 163.6 | 0 | 0 | 0 | 109.5 | E87 Y91 V94 R211 T214 | E87-L89 PolarHBondContact O-N 2.99Å; L89-Y91 PolarHBondContact O-N 3.36Å; L89-V94 HydrophobicContact CB-CG2 4.22Å; L89-R211 HydrophobicContact CD2-CG 3.62Å; L89-T214 HydrophobicContact CD1-CG2 3.87Å; L89-T214 HydrophobicContact CG-CG2 3.84Å |
| 90 | S | 50.8 | Low | 45.4 | Very low | 55 Ų | 55 | 106.2 Ų | 106.2 | 39% | 0.385 | 48% | 0.484 | S | S | . | . | trans | -40.7 | 129.2 | -178.3 | 94.9 | 0 | 0 | 0 | 0 | 111.4 | D88 E92 D93 V94 | D88-S90 PolarHBondContact O-N 2.94Å; D88-S90 VanDerWaalsContact O-N 3.09Å; S90-E92 PolarHBondContact O-N 3Å; S90-D93 PolarHBondContact O-N 3.35Å; S90-D93 PolarHBondContact OG-N 3.5Å; S90-D93 PolarHBondContact OG-OD2 2.96Å; S90-V94 PolarHBondContact O-N 2.84Å | ||
| 91 | Y | 49.2 | Very low | 46.3 | Very low | 164 Ų | 164 | 104.8 Ų | 104.8 | 64% | 0.643 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -52.1 | -35.4 | -174.9 | 179.7 | -93.4 | 0 | 0 | 0 | 111.9 | L89 V94 K95 | L89-Y91 PolarHBondContact O-N 3.36Å; Y91-V94 PolarHBondContact O-N 3.46Å; Y91-K95 HydrophobicContact CD1-CD 4.31Å; Y91-K95 HydrophobicContact CE1-CD 4.02Å; Y91-K95 VanDerWaalsContact O-CB 3.24Å; Y91-K95 WeakPolarHBondContact O-CB 3.42Å; Y91-K95 PolarHBondContact O-N 2.97Å |
| 92 | E | 49.8 | Very low | 47.6 | Very low | 107 Ų | 107 | 101.8 Ų | 101.8 | 50% | 0.5 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.4 | -35.9 | 176.6 | -67.9 | -57.9 | 124 | 0 | 0 | 114.1 | S90 K95 K96 | S90-E92 PolarHBondContact O-N 3Å; E92-K95 VanDerWaalsContact CD-NZ 3.32Å; E92-K95 PolarHBondContact O-N 3.4Å; E92-K95 WeakPolarHBondContact OE1-CD 3.34Å; E92-K95 IonicContact OE1-NZ 2.61Å; E92-K95 PolarHBondContact OE1-NZ 2.97Å; E92-K95 WeakPolarHBondContact OE2-CD 3.24Å; E92-K95 IonicContact OE2-NZ 3.21Å; E92-K95 PolarHBondContact OE2-NZ 3.37Å; E92-K96 WeakPolarHBondContact O-CB 3.37Å; E92-K96 PolarHBondContact O-N 3.49Å |
| 93 | D | 55.7 | Low | 49.2 | Very low | 63 Ų | 63 | 91.6 Ų | 91.6 | 34% | 0.337 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65 | -40.2 | 174.3 | -80.6 | -59.3 | 0 | 0 | 0 | 111.8 | S90 K96 C97 | S90-D93 PolarHBondContact O-N 3.35Å; S90-D93 PolarHBondContact OG-N 3.5Å; S90-D93 PolarHBondContact OG-OD2 2.96Å; D93-K96 PolarHBondContact O-N 3.33Å; D93-C97 PolarHBondContact O-N 3.41Å |
| 94 | V | 56.9 | Low | 51 | Low | 3 Ų | 3 | 88.2 Ų | 88.2 | 2% | 0.018 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -68.7 | -41.7 | 175.4 | -156.2 | 0 | 0 | 0 | 0 | 110.6 | L89 S90 Y91 K96 C97 Y98 M124 R145 | L89-V94 HydrophobicContact CB-CG2 4.22Å; S90-V94 PolarHBondContact O-N 2.84Å; Y91-V94 PolarHBondContact O-N 3.46Å; V94-K96 VanDerWaalsContact C-N 3.29Å; V94-K96 PolarHBondContact O-N 3.44Å; V94-C97 CarbonylContact O-C 3.58Å; V94-C97 WeakPolarHBondContact O-CA 3.29Å; V94-C97 VanDerWaalsContact O-CB 3.29Å; V94-C97 WeakPolarHBondContact O-CB 3.39Å; V94-C97 PolarHBondContact O-N 3.04Å; V94-Y98 HydrophobicContact CB-CD2 4.44Å; V94-Y98 HydrophobicContact CB-CE2 4.04Å; V94-Y98 HydrophobicContact CG1-CD2 3.97Å; V94-Y98 HydrophobicContact CG1-CE2 3.3Å; V94-Y98 WeakPolarHBondContact O-CD2 3.18Å; V94-Y98 PolarHBondContact O-N 2.86Å; V94-M124 HydrophobicContact CG1-CE 3.55Å; V94-M124 HydrophobicContact CG1-CG 4.47Å; V94-M124 HydrophobicContact CG1-SD 3.95Å; V94-R145 HydrophobicContact CG1-CG 4.19Å |
| 95 | K | 53.2 | Low | 52.9 | Low | 94 Ų | 94 | 90.8 Ų | 90.8 | 41% | 0.409 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.7 | -35.8 | 174.2 | -165.4 | -177.1 | -178.2 | -168 | 0 | 112.7 | Y91 E92 C97 Y98 R99 | Y91-K95 HydrophobicContact CD1-CD 4.31Å; Y91-K95 HydrophobicContact CE1-CD 4.02Å; Y91-K95 VanDerWaalsContact O-CB 3.24Å; Y91-K95 WeakPolarHBondContact O-CB 3.42Å; Y91-K95 PolarHBondContact O-N 2.97Å; E92-K95 VanDerWaalsContact CD-NZ 3.32Å; E92-K95 PolarHBondContact O-N 3.4Å; E92-K95 WeakPolarHBondContact OE1-CD 3.34Å; E92-K95 IonicContact OE1-NZ 2.61Å; E92-K95 PolarHBondContact OE1-NZ 2.97Å; E92-K95 WeakPolarHBondContact OE2-CD 3.24Å; E92-K95 IonicContact OE2-NZ 3.21Å; E92-K95 PolarHBondContact OE2-NZ 3.37Å; K95-C97 VanDerWaalsContact C-N 3.32Å; K95-C97 PolarHBondContact O-N 3.03Å; K95-Y98 PolarHBondContact O-N 3.27Å; K95-R99 PolarHBondContact O-N 2.7Å |
| 96 | K | 55.8 | Low | 54.8 | Low | 166 Ų | 166 | 91.4 Ų | 91.4 | 72% | 0.722 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -66.9 | -31 | 172.3 | -156.8 | 171 | -171.6 | 173.4 | 0 | 112.2 | E92 D93 V94 | E92-K96 WeakPolarHBondContact O-CB 3.37Å; E92-K96 PolarHBondContact O-N 3.49Å; D93-K96 PolarHBondContact O-N 3.33Å; V94-K96 VanDerWaalsContact C-N 3.29Å; V94-K96 PolarHBondContact O-N 3.44Å |
| 97 | C | 53.5 | Low | 56.7 | Low | 8 Ų | 8 | 88.7 Ų | 88.7 | 5% | 0.054 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -73 | -41.5 | 169.5 | -69.2 | 0 | 0 | 0 | 0 | 112.6 | D93 V94 K95 R99 M124 K125 | D93-C97 PolarHBondContact O-N 3.41Å; V94-C97 CarbonylContact O-C 3.58Å; V94-C97 WeakPolarHBondContact O-CA 3.29Å; V94-C97 VanDerWaalsContact O-CB 3.29Å; V94-C97 WeakPolarHBondContact O-CB 3.39Å; V94-C97 PolarHBondContact O-N 3.04Å; K95-C97 VanDerWaalsContact C-N 3.32Å; K95-C97 PolarHBondContact O-N 3.03Å; C97-R99 VanDerWaalsContact C-N 3.32Å; C97-R99 PolarHBondContact O-N 3.4Å; C97-M124 HydrophobicContact CB-CB 4.49Å; C97-M124 HydrophobicContact CB-CE 3.55Å; C97-K125 WeakPolarHBondContact O-CE 3.22Å; C97-K125 PolarHBondContact O-NZ 3.21Å |
| 98 | Y | 55.5 | Low | 58.6 | Low | 56 Ų | 56 | 84.9 Ų | 84.9 | 22% | 0.22 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -66.1 | -24.8 | 177.4 | -68.8 | -52.3 | 0 | 0 | 0 | 114.5 | V94 K95 G100 I122 L123 M124 R145 | V94-Y98 HydrophobicContact CB-CD2 4.44Å; V94-Y98 HydrophobicContact CB-CE2 4.04Å; V94-Y98 HydrophobicContact CG1-CD2 3.97Å; V94-Y98 HydrophobicContact CG1-CE2 3.3Å; V94-Y98 WeakPolarHBondContact O-CD2 3.18Å; V94-Y98 PolarHBondContact O-N 2.86Å; K95-Y98 PolarHBondContact O-N 3.27Å; Y98-G100 PolarHBondContact O-N 3.32Å; Y98-I122 HydrophobicContact CD1-CG2 4.04Å; Y98-I122 HydrophobicContact CE1-CB 3.7Å; Y98-I122 HydrophobicContact CE1-CG2 3.54Å; Y98-L123 WeakPolarHBondContact CE1-O 3.41Å; Y98-M124 HydrophobicContact CD1-CG 4.4Å; Y98-M124 HydrophobicContact CE1-CG 3.72Å; Y98-R145 PolarHBondContact OH-NH1 3.43Å |
| 99 | R | 49.4 | Very low | 60.7 | Low | 225 Ų | 225 | 83 Ų | 83 | 85% | 0.849 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -0.4 | -179.9 | -107.2 | -84.3 | -155.6 | -164.4 | 2.4 | 116.4 | K95 C97 S101 | K95-R99 PolarHBondContact O-N 2.7Å; C97-R99 VanDerWaalsContact C-N 3.32Å; C97-R99 PolarHBondContact O-N 3.4Å; R99-S101 PolarHBondContact O-N 3.43Å |
| 100 | G | 56.7 | Low | 62.6 | Low | 21 Ų | 21 | 81.1 Ų | 81.1 | 22% | 0.216 | 41% | 0.406 | C | S | . | . | trans | -79.4 | 111 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y98 T102 V103 | Y98-G100 PolarHBondContact O-N 3.32Å; G100-T102 PolarHBondContact O-N 3.12Å; G100-V103 WeakPolarHBondContact O-CB 3.14Å; G100-V103 WeakPolarHBondContact O-CG2 3.48Å; G100-V103 PolarHBondContact O-N 3.22Å | ||
| 101 | S | 51.3 | Low | 64.4 | Low | 105 Ų | 105 | 80.4 Ų | 80.4 | 73% | 0.734 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -54.7 | -20.7 | -177.6 | -175.8 | 0 | 0 | 0 | 0 | 115.2 | R99 | R99-S101 PolarHBondContact O-N 3.43Å |
| 102 | T | 57.5 | Low | 66.2 | Low | 91 Ų | 91 | 81 Ų | 81 | 56% | 0.558 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -76.3 | -26.8 | 175.3 | 50.1 | 0 | 0 | 0 | 0 | 114 | G100 K105 Y106 | G100-T102 PolarHBondContact O-N 3.12Å; T102-K105 PolarHBondContact O-N 3.22Å; T102-Y106 WeakPolarHBondContact O-CD2 3.26Å; T102-Y106 PolarHBondContact O-N 3.42Å |
| 103 | V | 67.6 | Low | 68 | Low | 8 Ų | 8 | 76.8 Ų | 76.8 | 5% | 0.048 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -69.5 | -44 | -166.6 | -176.2 | 0 | 0 | 0 | 0 | 112 | G100 K105 Y106 N107 L123 M124 | G100-V103 WeakPolarHBondContact O-CB 3.14Å; G100-V103 WeakPolarHBondContact O-CG2 3.48Å; G100-V103 PolarHBondContact O-N 3.22Å; V103-K105 VanDerWaalsContact C-N 3.31Å; V103-K105 PolarHBondContact O-N 3.44Å; V103-Y106 PolarHBondContact O-N 2.77Å; V103-Y106 VanDerWaalsContact O-N 3.08Å; V103-N107 PolarHBondContact O-N 3.03Å; V103-L123 HydrophobicContact CG1-CB 4.2Å; V103-L123 HydrophobicContact CG1-CD2 4.28Å; V103-L123 HydrophobicContact CG1-CG 3.99Å; V103-L123 WeakPolarHBondContact CG1-O 3.49Å; V103-M124 WeakPolarHBondContact CG2-O 3.44Å |
| 104 | S | 66.4 | Low | 69.5 | Low | 95 Ų | 95 | 73.9 Ų | 73.9 | 66% | 0.664 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -56.6 | -41.8 | 176.6 | 171.8 | 0 | 0 | 0 | 0 | 112.4 | Y106 N107 | S104-Y106 VanDerWaalsContact C-N 3.33Å; S104-Y106 PolarHBondContact O-N 3.41Å; S104-N107 WeakPolarHBondContact O-CB 3.43Å; S104-N107 PolarHBondContact O-N 3.49Å |
| 105 | K | 68.5 | Low | 70.7 | Confident | 169 Ų | 169 | 79.2 Ų | 79.2 | 74% | 0.735 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64.5 | -35.5 | 177 | -64.8 | -175.3 | 178.7 | -178.1 | 0 | 112.7 | T102 V103 | T102-K105 PolarHBondContact O-N 3.22Å; V103-K105 VanDerWaalsContact C-N 3.31Å; V103-K105 PolarHBondContact O-N 3.44Å |
| 106 | Y | 77.8 | Confident | 71.9 | Confident | 81 Ų | 81 | 77 Ų | 77 | 32% | 0.318 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -80.6 | -17.2 | 177.4 | -72.2 | -61 | 0 | 0 | 0 | 113.9 | T102 V103 S104 S108 Q109 Y110 V126 | T102-Y106 WeakPolarHBondContact O-CD2 3.26Å; T102-Y106 PolarHBondContact O-N 3.42Å; V103-Y106 PolarHBondContact O-N 2.77Å; V103-Y106 VanDerWaalsContact O-N 3.08Å; S104-Y106 VanDerWaalsContact C-N 3.33Å; S104-Y106 PolarHBondContact O-N 3.41Å; Y106-S108 PolarHBondContact O-N 3.01Å; Y106-Q109 PolarHBondContact O-N 3.28Å; Y106-Q109 VanDerWaalsContact O-N 3.08Å; Y106-Y110 WeakPolarHBondContact O-CB 3.44Å; Y106-Y110 PolarHBondContact O-N 2.9Å; Y106-V126 HydrophobicContact CD2-CG2 4.49Å |
| 107 | N | 84.5 | Confident | 73.3 | Confident | 29 Ų | 29 | 69.5 Ų | 69.5 | 16% | 0.155 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.2 | -44.1 | -178.9 | -160.3 | 66.2 | 0 | 0 | 0 | 112.2 | V103 S104 Q109 Y110 H111 L123 | V103-N107 PolarHBondContact O-N 3.03Å; S104-N107 WeakPolarHBondContact O-CB 3.43Å; S104-N107 PolarHBondContact O-N 3.49Å; N107-Q109 VanDerWaalsContact C-N 3.27Å; N107-Q109 PolarHBondContact O-N 2.99Å; N107-Y110 WeakPolarHBondContact O-CB 3.47Å; N107-Y110 PolarHBondContact O-N 2.98Å; N107-Y110 VanDerWaalsContact O-N 3.17Å; N107-H111 PolarHBondContact ND2-CD2 3.19Å; N107-H111 PolarHBondContact ND2-NE2 2.84Å; N107-H111 PolarHBondContact O-CD2 2.83Å; N107-H111 PolarHBondContact O-N 2.99Å; N107-H111 VanDerWaalsContact O-N 3.16Å; N107-L123 HydrophobicContact CB-CB 4.44Å; N107-L123 WeakPolarHBondContact OD1-CB 3.35Å; N107-L123 PolarHBondContact OD1-N 3.2Å |
| 108 | S | 83.2 | Confident | 74.7 | Confident | 82 Ų | 82 | 71.9 Ų | 71.9 | 57% | 0.573 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -64.6 | -28.9 | 175.7 | -53.8 | 0 | 0 | 0 | 0 | 113.4 | Y106 K112 | Y106-S108 PolarHBondContact O-N 3.01Å; S108-K112 VanDerWaalsContact O-CG 3.29Å; S108-K112 WeakPolarHBondContact O-CG 3.32Å |
| 109 | Q | 85.3 | Confident | 75.9 | Confident | 82 Ų | 82 | 77.9 Ų | 77.9 | 38% | 0.383 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -76.6 | -38.4 | 173.4 | -172.7 | 178.5 | 11.4 | 0 | 0 | 111.1 | Y106 N107 K112 L113 | Y106-Q109 PolarHBondContact O-N 3.28Å; Y106-Q109 VanDerWaalsContact O-N 3.08Å; N107-Q109 VanDerWaalsContact C-N 3.27Å; N107-Q109 PolarHBondContact O-N 2.99Å; Q109-K112 WeakPolarHBondContact O-CB 3.3Å; Q109-K112 PolarHBondContact O-N 2.72Å; Q109-L113 HydrophobicContact CG-CD1 4.12Å; Q109-L113 HydrophobicContact CG-CG 4.37Å; Q109-L113 WeakPolarHBondContact O-CG 3.38Å; Q109-L113 PolarHBondContact O-N 3.29Å |
| 110 | Y | 87.1 | Confident | 77.4 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -57.8 | -51.9 | 178.1 | 171 | -108.7 | 0 | 0 | 0 | 112 | Y106 N107 K112 L113 F114 V117 L123 Y142 S144 C149 | Y106-Y110 WeakPolarHBondContact O-CB 3.44Å; Y106-Y110 PolarHBondContact O-N 2.9Å; N107-Y110 WeakPolarHBondContact O-CB 3.47Å; N107-Y110 PolarHBondContact O-N 2.98Å; N107-Y110 VanDerWaalsContact O-N 3.17Å; Y110-K112 VanDerWaalsContact C-N 3.28Å; Y110-K112 PolarHBondContact O-N 2.89Å; Y110-L113 PolarHBondContact O-N 2.86Å; Y110-L113 VanDerWaalsContact O-N 3.11Å; Y110-F114 AromaticContact CD2-CD2 3.75Å; Y110-F114 HydrophobicContact CD2-CD2 3.75Å; Y110-F114 HydrophobicContact CD2-CE2 4.23Å; Y110-F114 AromaticContact CE2-CD2 3.87Å; Y110-F114 HydrophobicContact CE2-CD2 3.87Å; Y110-F114 HydrophobicContact CE2-CE2 4.4Å; Y110-F114 PolarHBondContact O-N 3.15Å; Y110-V117 HydrophobicContact CE1-CB 4.42Å; Y110-V117 HydrophobicContact CE1-CG1 3.88Å; Y110-L123 HydrophobicContact CD1-CB 4.37Å; Y110-L123 HydrophobicContact CD2-CD1 4.22Å; Y110-L123 HydrophobicContact CE2-CD1 4.49Å; Y110-L123 HydrophobicContact CG-CD1 4.35Å; Y110-Y142 AromaticContact CD2-CD1 3.86Å; Y110-Y142 HydrophobicContact CD2-CD1 3.86Å; Y110-Y142 AromaticContact CD2-CG 3.82Å; Y110-Y142 HydrophobicContact CD2-CG 3.82Å; Y110-Y142 HydrophobicContact CE2-CG 4.33Å; Y110-S144 WeakPolarHBondContact CE1-OG 3.47Å; Y110-S144 PolarHBondContact OH-OG 2.99Å; Y110-C149 HydrophobicContact CE2-CB 3.82Å; Y110-C149 PolarHBondContact OH-SG 3.49Å; Y110-C149 VanDerWaalsContact OH-SG 3.34Å |
| 111 | H | 87.1 | Confident | 78.7 | Confident | 40 Ų | 40 | 74.1 Ų | 74.1 | 19% | 0.185 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -67 | -25.3 | 176.9 | -61.1 | -70.8 | 0 | 0 | 0 | 113.8 | N107 P118 E121 | N107-H111 PolarHBondContact ND2-CD2 3.19Å; N107-H111 PolarHBondContact ND2-NE2 2.84Å; N107-H111 PolarHBondContact O-CD2 2.83Å; N107-H111 PolarHBondContact O-N 2.99Å; N107-H111 VanDerWaalsContact O-N 3.16Å; H111-P118 PolarHBondContact CE1-O 3.4Å; H111-E121 PolarHBondContact CE1-O 2.83Å; H111-E121 PolarHBondContact NE2-O 2.83Å |
| 112 | K | 87.3 | Confident | 80.3 | Confident | 177 Ų | 177 | 72.9 Ų | 72.9 | 77% | 0.77 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -71.3 | -36.9 | 170.9 | -75.3 | 176.7 | -179.5 | -172 | 0 | 112.3 | S108 Q109 Y110 | S108-K112 VanDerWaalsContact O-CG 3.29Å; S108-K112 WeakPolarHBondContact O-CG 3.32Å; Q109-K112 WeakPolarHBondContact O-CB 3.3Å; Q109-K112 PolarHBondContact O-N 2.72Å; Y110-K112 VanDerWaalsContact C-N 3.28Å; Y110-K112 PolarHBondContact O-N 2.89Å |
| 113 | L | 87.1 | Confident | 81.7 | Confident | 17 Ų | 17 | 68.6 Ų | 68.6 | 9% | 0.089 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -74 | -40.3 | 177.6 | -70.6 | 173.2 | 0 | 0 | 0 | 111.7 | Q109 Y110 P115 Y142 Y151 K160 | Q109-L113 HydrophobicContact CG-CD1 4.12Å; Q109-L113 HydrophobicContact CG-CG 4.37Å; Q109-L113 WeakPolarHBondContact O-CG 3.38Å; Q109-L113 PolarHBondContact O-N 3.29Å; Y110-L113 PolarHBondContact O-N 2.86Å; Y110-L113 VanDerWaalsContact O-N 3.11Å; L113-P115 WeakPolarHBondContact O-CD 3.26Å; L113-Y142 HydrophobicContact CD1-CE2 4.36Å; L113-Y151 HydrophobicContact CD1-CD1 4.03Å; L113-Y151 HydrophobicContact CD1-CE1 4.47Å; L113-Y151 HydrophobicContact CD1-CG 4.06Å; L113-Y151 HydrophobicContact CD2-CD1 4.45Å; L113-Y151 HydrophobicContact CD2-CD2 4.05Å; L113-Y151 HydrophobicContact CD2-CE1 4.26Å; L113-Y151 HydrophobicContact CD2-CE2 3.85Å; L113-Y151 HydrophobicContact CD2-CG 4.34Å; L113-K160 VanDerWaalsContact O-CD 3.3Å; L113-K160 WeakPolarHBondContact O-CD 3.33Å; L113-K160 VanDerWaalsContact O-CE 3.25Å; L113-K160 WeakPolarHBondContact O-CE 3.4Å; L113-K160 PolarHBondContact O-NZ 2.9Å; L113-K160 VanDerWaalsContact O-NZ 3.13Å |
| 114 | F | 87.1 | Confident | 82.6 | Confident | 3 Ų | 3 | 68.5 Ų | 68.5 | 1% | 0.013 | 36% | 0.356 | C | S | . | . | trans | -120.7 | 79.6 | -173 | -59.2 | -79.9 | 0 | 0 | 0 | 112.2 | Y110 C116 V117 Y142 C149 K160 | Y110-F114 AromaticContact CD2-CD2 3.75Å; Y110-F114 HydrophobicContact CD2-CD2 3.75Å; Y110-F114 HydrophobicContact CD2-CE2 4.23Å; Y110-F114 AromaticContact CE2-CD2 3.87Å; Y110-F114 HydrophobicContact CE2-CD2 3.87Å; Y110-F114 HydrophobicContact CE2-CE2 4.4Å; Y110-F114 PolarHBondContact O-N 3.15Å; F114-C116 PolarHBondContact O-N 3.32Å; F114-C116 VanDerWaalsContact O-N 3.17Å; F114-V117 HydrophobicContact CB-CB 4.49Å; F114-V117 HydrophobicContact CB-CG2 3.94Å; F114-V117 PolarHBondContact O-N 3.46Å; F114-Y142 HydrophobicContact CE2-CD2 4.06Å; F114-Y142 HydrophobicContact CE2-CE2 4.49Å; F114-C149 HydrophobicContact CD1-CB 3.97Å; F114-C149 HydrophobicContact CD2-CB 3.89Å; F114-C149 HydrophobicContact CE1-CB 3.73Å; F114-C149 HydrophobicContact CE2-CB 3.65Å; F114-C149 HydrophobicContact CG-CB 4.04Å; F114-C149 HydrophobicContact CZ-CB 3.56Å; F114-K160 HydrophobicContact CD1-CB 4.4Å; F114-K160 HydrophobicContact CE1-CB 3.83Å; F114-K160 HydrophobicContact CE1-CG 4.03Å; F114-K160 HydrophobicContact CZ-CG 4.49Å | ||
| 115 | P | 82.8 | Confident | 83.5 | Confident | 115 Ų | 115 | 66.5 Ų | 66.5 | 75% | 0.747 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -12.1 | 177.4 | 29.3 | -36.6 | 0 | 0 | 0 | 113.6 | L113 V117 | L113-P115 WeakPolarHBondContact O-CD 3.26Å; P115-V117 VanDerWaalsContact C-N 3.31Å |
| 116 | C | 78.8 | Confident | 84.5 | Confident | 48 Ų | 48 | 60.4 Ų | 60.4 | 32% | 0.324 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -13.3 | 174.2 | 54.1 | 0 | 0 | 0 | 0 | 114 | F114 | F114-C116 PolarHBondContact O-N 3.32Å; F114-C116 VanDerWaalsContact O-N 3.17Å |
| 117 | V | 85.1 | Confident | 85.1 | Confident | 7 Ų | 7 | 58.2 Ų | 58.2 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -93.4 | 129 | 177.9 | -179.7 | 0 | 0 | 0 | 0 | 109 | Y110 F114 P115 E121 W147 | Y110-V117 HydrophobicContact CE1-CB 4.42Å; Y110-V117 HydrophobicContact CE1-CG1 3.88Å; F114-V117 HydrophobicContact CB-CB 4.49Å; F114-V117 HydrophobicContact CB-CG2 3.94Å; F114-V117 PolarHBondContact O-N 3.46Å; P115-V117 VanDerWaalsContact C-N 3.31Å; V117-E121 HydrophobicContact CG1-CB 3.63Å; V117-E121 HydrophobicContact CG1-CG 4.01Å; V117-W147 HydrophobicContact CG1-CG 4.25Å; V117-W147 HydrophobicContact CG2-CD2 4.28Å; V117-W147 HydrophobicContact CG2-CG 4.26Å |
| 118 | P | 83.9 | Confident | 85.3 | Confident | 59 Ų | 59 | 60 Ų | 60 | 38% | 0.383 | 32% | 0.319 | S | S | . | . | trans | -60.4 | 151.2 | 179.5 | 23.7 | -32.3 | 0 | 0 | 0 | 112 | H111 D120 E121 | H111-P118 PolarHBondContact CE1-O 3.4Å; P118-D120 PolarHBondContact O-N 3.2Å; P118-E121 HydrophobicContact CG-CG 3.81Å; P118-E121 WeakPolarHBondContact O-CB 3.35Å; P118-E121 PolarHBondContact O-N 3.03Å | ||
| 119 | K | 79 | Confident | 85.7 | Confident | 182 Ų | 182 | 56.4 Ų | 56.4 | 79% | 0.791 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -17.6 | -175.4 | -64.4 | 178.8 | -176.8 | 174.1 | 0 | 113.4 | E121 | K119-E121 VanDerWaalsContact C-N 3.33Š|
| 120 | D | 80.5 | Confident | 86 | Confident | 144 Ų | 144 | 53 Ų | 53 | 77% | 0.77 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -15.9 | 180 | -40.3 | -59.8 | 0 | 0 | 0 | 112.4 | P118 I122 | P118-D120 PolarHBondContact O-N 3.2Å; D120-I122 PolarHBondContact O-N 3.21Å |
| 121 | E | 84.9 | Confident | 86.2 | Confident | 23 Ų | 23 | 53 Ų | 53 | 11% | 0.107 | 28% | 0.279 | C | S | . | . | trans | -78.6 | 99.2 | 175.8 | -78 | -76.6 | 157 | 0 | 0 | 111.3 | H111 V117 P118 K119 R145 N146 | H111-E121 PolarHBondContact CE1-O 2.83Å; H111-E121 PolarHBondContact NE2-O 2.83Å; V117-E121 HydrophobicContact CG1-CB 3.63Å; V117-E121 HydrophobicContact CG1-CG 4.01Å; P118-E121 HydrophobicContact CG-CG 3.81Å; P118-E121 WeakPolarHBondContact O-CB 3.35Å; P118-E121 PolarHBondContact O-N 3.03Å; K119-E121 VanDerWaalsContact C-N 3.33Å; E121-R145 PolarHBondContact OE2-N 2.89Å; E121-N146 WeakPolarHBondContact OE1-CB 3.4Å; E121-N146 PolarHBondContact OE1-OD1 3.46Å; E121-N146 PolarHBondContact OE2-N 2.92Å | ||
| 122 | I | 85.1 | Confident | 86.3 | Confident | 79 Ų | 79 | 54.1 Ų | 54.1 | 41% | 0.405 | 29% | 0.287 | S | S | . | . | trans | -80.4 | 124.6 | 176.6 | -48.1 | 175 | 0 | 0 | 0 | 109.8 | Y98 D120 M124 | Y98-I122 HydrophobicContact CD1-CG2 4.04Å; Y98-I122 HydrophobicContact CE1-CB 3.7Å; Y98-I122 HydrophobicContact CE1-CG2 3.54Å; D120-I122 PolarHBondContact O-N 3.21Å; I122-M124 PolarHBondContact O-N 3.27Å | ||
| 123 | L | 87.2 | Confident | 86.2 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -50.3 | 133 | 169.6 | -178.3 | 66.1 | 0 | 0 | 0 | 111 | Y98 V103 N107 Y110 V126 Y142 | Y98-L123 WeakPolarHBondContact CE1-O 3.41Å; V103-L123 HydrophobicContact CG1-CB 4.2Å; V103-L123 HydrophobicContact CG1-CD2 4.28Å; V103-L123 HydrophobicContact CG1-CG 3.99Å; V103-L123 WeakPolarHBondContact CG1-O 3.49Å; N107-L123 HydrophobicContact CB-CB 4.44Å; N107-L123 WeakPolarHBondContact OD1-CB 3.35Å; N107-L123 PolarHBondContact OD1-N 3.2Å; Y110-L123 HydrophobicContact CD1-CB 4.37Å; Y110-L123 HydrophobicContact CD2-CD1 4.22Å; Y110-L123 HydrophobicContact CE2-CD1 4.49Å; Y110-L123 HydrophobicContact CG-CD1 4.35Å; L123-V126 HydrophobicContact CD1-CG2 4.29Å; L123-V126 HydrophobicContact CD2-CG2 3.72Å; L123-V126 HydrophobicContact CG-CG2 4.31Å; L123-Y142 HydrophobicContact CD1-CD1 3.8Å; L123-Y142 HydrophobicContact CD1-CG 4.26Å; L123-Y142 HydrophobicContact CD2-CD1 4.03Å | ||
| 124 | M | 85.2 | Confident | 86 | Confident | 6 Ų | 6 | 57.9 Ų | 57.9 | 3% | 0.03 | 31% | 0.306 | C | S | . | . | trans | -102.8 | -45 | 179.1 | -63.3 | 176.9 | 62.6 | 0 | 0 | 112.5 | V94 C97 Y98 V103 I122 I143 R145 I212 | V94-M124 HydrophobicContact CG1-CE 3.55Å; V94-M124 HydrophobicContact CG1-CG 4.47Å; V94-M124 HydrophobicContact CG1-SD 3.95Å; C97-M124 HydrophobicContact CB-CB 4.49Å; C97-M124 HydrophobicContact CB-CE 3.55Å; Y98-M124 HydrophobicContact CD1-CG 4.4Å; Y98-M124 HydrophobicContact CE1-CG 3.72Å; V103-M124 WeakPolarHBondContact CG2-O 3.44Å; I122-M124 PolarHBondContact O-N 3.27Å; M124-I143 WeakPolarHBondContact CA-O 3.2Å; M124-I143 WeakPolarHBondContact CB-O 3.16Å; M124-I143 PolarHBondContact N-O 3.07Å; M124-R145 HydrophobicContact SD-CB 4.46Å; M124-R145 HydrophobicContact SD-CG 3.8Å; M124-I212 HydrophobicContact CE-CD1 3.89Å; M124-I212 HydrophobicContact CE-CG1 4.12Å; M124-I212 HydrophobicContact SD-CD1 3.83Å; M124-I212 HydrophobicContact SD-CG1 4.27Å | ||
| 125 | K | 86.8 | Confident | 85.9 | Confident | 53 Ų | 53 | 60.8 Ų | 60.8 | 23% | 0.23 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 154.8 | -179.7 | -68.4 | -63.1 | 178.1 | -160.3 | 0 | 112 | C97 Y127 I143 | C97-K125 WeakPolarHBondContact O-CE 3.22Å; C97-K125 PolarHBondContact O-NZ 3.21Å; K125-Y127 HydrophobicContact CB-CD2 4.2Å; K125-Y127 HydrophobicContact CB-CE2 3.45Å; K125-Y127 VanDerWaalsContact CB-CE2 3.45Å; K125-Y127 HydrophobicContact CG-CE2 4.15Å; K125-I143 PolarHBondContact N-O 3.08Å; K125-I143 VanDerWaalsContact N-O 3.08Å; K125-I143 PolarHBondContact O-N 3.17Å |
| 126 | V | 88.9 | Confident | 86 | Confident | 42 Ų | 42 | 59.5 Ų | 59.5 | 26% | 0.255 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 132.3 | 170.7 | -172.7 | 0 | 0 | 0 | 0 | 108.3 | Y106 L123 R140 L141 Y142 | Y106-V126 HydrophobicContact CD2-CG2 4.49Å; L123-V126 HydrophobicContact CD1-CG2 4.29Å; L123-V126 HydrophobicContact CD2-CG2 3.72Å; L123-V126 HydrophobicContact CG-CG2 4.31Å; V126-R140 HydrophobicContact CG1-CB 4.21Å; V126-L141 CarbonylContact C-O 3.51Å; V126-L141 WeakPolarHBondContact CA-O 3.49Å; V126-Y142 HydrophobicContact CG1-CD1 4.22Å; V126-Y142 HydrophobicContact CG1-CE1 4.01Å; V126-Y142 HydrophobicContact CG2-CD1 3.73Å; V126-Y142 HydrophobicContact CG2-CE1 3.89Å |
| 127 | Y | 89.4 | Confident | 86.6 | Confident | 34 Ų | 34 | 57.4 Ų | 57.4 | 13% | 0.133 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 133.1 | 176.9 | -63.4 | -78.1 | 0 | 0 | 0 | 110 | K125 R140 L141 I143 V205 | K125-Y127 HydrophobicContact CB-CD2 4.2Å; K125-Y127 HydrophobicContact CB-CE2 3.45Å; K125-Y127 VanDerWaalsContact CB-CE2 3.45Å; K125-Y127 HydrophobicContact CG-CE2 4.15Å; Y127-R140 CarbonylContact O-C 3.37Å; Y127-R140 WeakPolarHBondContact O-CA 3.43Å; Y127-L141 PolarHBondContact N-O 3.42Å; Y127-L141 PolarHBondContact O-N 3.32Å; Y127-I143 HydrophobicContact CD2-CD1 3.84Å; Y127-I143 HydrophobicContact CD2-CG1 4.26Å; Y127-I143 HydrophobicContact CE2-CD1 3.78Å; Y127-I143 HydrophobicContact CE2-CG1 4.41Å; Y127-V205 HydrophobicContact CD1-CG2 3.48Å; Y127-V205 VanDerWaalsContact CD1-CG2 3.48Å; Y127-V205 HydrophobicContact CD2-CG1 4.45Å; Y127-V205 HydrophobicContact CD2-CG2 4.04Å; Y127-V205 HydrophobicContact CE1-CG2 3.51Å; Y127-V205 HydrophobicContact CE2-CG2 4.07Å; Y127-V205 HydrophobicContact CG-CG2 3.76Å |
| 128 | S | 90.3 | Very high | 86.9 | Confident | 68 Ų | 68 | 65 Ų | 65 | 48% | 0.476 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 130.3 | 167.6 | -58.8 | 0 | 0 | 0 | 0 | 109.3 | ||
| 129 | C | 90.9 | Very high | 87.3 | Confident | 6 Ų | 6 | 62.9 Ų | 62.9 | 4% | 0.041 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 166 | 179.3 | 64.1 | 0 | 0 | 0 | 0 | 111.1 | G139 L199 | C129-G139 PolarHBondContact N-O 2.84Å; C129-G139 CarbonylContact O-C 3.45Å; C129-G139 VanDerWaalsContact O-C 3.26Å; C129-G139 PolarHBondContact O-N 2.99Å; C129-L199 HydrophobicContact CB-CD2 3.52Å; C129-L199 HydrophobicContact CB-CG 4.05Å |
| 130 | A | 91.5 | Very high | 87.9 | Confident | 9 Ų | 9 | 59 Ų | 59 | 7% | 0.074 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 140.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L137 F196 V197 | A130-L137 CarbonylContact C-O 3.21Å; A130-L137 WeakPolarHBondContact CA-O 3.46Å; A130-F196 CarbonylContact O-C 3.48Å; A130-F196 WeakPolarHBondContact O-CA 3.39Å; A130-V197 HydrophobicContact CB-CG2 3.95Å; A130-V197 PolarHBondContact N-O 3.27Å; A130-V197 PolarHBondContact O-N 3.4Å |
| 131 | L | 91.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 120.6 | 169.2 | 175.7 | 62.9 | 0 | 0 | 0 | 108.8 | R133 L137 F150 V161 Y194 F196 | L131-R133 HydrophobicContact CD2-CG 4.33Å; L131-R133 HydrophobicContact CG-CG 4.29Å; L131-R133 PolarHBondContact O-N 3.12Å; L131-L137 HydrophobicContact CB-CB 4.39Å; L131-L137 PolarHBondContact N-O 3.29Å; L131-L137 WeakPolarHBondContact O-CB 3.5Å; L131-L137 PolarHBondContact O-N 3.12Å; L131-F150 HydrophobicContact CB-CD1 3.94Å; L131-F150 HydrophobicContact CB-CE1 3.57Å; L131-F150 HydrophobicContact CB-CE2 4.29Å; L131-F150 HydrophobicContact CB-CG 4.44Å; L131-F150 HydrophobicContact CB-CZ 3.78Å; L131-F150 HydrophobicContact CD2-CD1 3.9Å; L131-F150 HydrophobicContact CD2-CE1 4.2Å; L131-V161 HydrophobicContact CD2-CG2 4.17Å; L131-Y194 HydrophobicContact CD1-CD1 4.21Å; L131-Y194 HydrophobicContact CD2-CD1 4.37Å; L131-F196 HydrophobicContact CB-CD1 4.29Å; L131-F196 HydrophobicContact CB-CE1 4.25Å; L131-F196 HydrophobicContact CD1-CD1 4.05Å; L131-F196 HydrophobicContact CD1-CE1 3.84Å; L131-F196 HydrophobicContact CD1-CE2 4.38Å; L131-F196 HydrophobicContact CD1-CG 4.43Å; L131-F196 HydrophobicContact CD1-CZ 4.02Å; L131-F196 HydrophobicContact CG-CE1 4.46Å |
| 132 | L | 88.9 | Confident | 88.8 | Confident | 65 Ų | 65 | 51.2 Ų | 51.2 | 34% | 0.34 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 111.4 | 171.7 | 178.1 | 66.2 | 0 | 0 | 0 | 109.1 | L136 V195 V197 | L132-L136 HydrophobicContact CB-CD2 3.89Å; L132-L136 HydrophobicContact CD1-CD2 3.67Å; L132-L136 HydrophobicContact CD1-CG 4.23Å; L132-L136 HydrophobicContact CG-CD2 4.34Å; L132-V195 HydrophobicContact CB-CB 4.19Å; L132-V195 HydrophobicContact CB-CG1 4.47Å; L132-V195 WeakPolarHBondContact CB-O 3.43Å; L132-V195 HydrophobicContact CD2-CB 4.34Å; L132-V195 HydrophobicContact CD2-CG1 4.2Å; L132-V195 PolarHBondContact N-O 3.42Å; L132-V197 HydrophobicContact CB-CG1 4.41Å |
| 133 | R | 85.9 | Confident | 89 | Confident | 128 Ų | 128 | 47.5 Ų | 47.5 | 48% | 0.483 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -114.6 | -122.9 | 159.7 | -68.2 | -172.3 | 177.5 | -138.9 | 9.9 | 107.1 | L131 I135 | L131-R133 HydrophobicContact CD2-CG 4.33Å; L131-R133 HydrophobicContact CG-CG 4.29Å; L131-R133 PolarHBondContact O-N 3.12Å; R133-I135 VanDerWaalsContact C-N 3.27Å; R133-I135 PolarHBondContact N-O 2.76Å; R133-I135 VanDerWaalsContact N-O 3.07Å |
| 134 | D | 83 | Confident | 89.2 | Confident | 145 Ų | 145 | 47.5 Ų | 47.5 | 78% | 0.775 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -67.9 | -31.3 | 171.9 | -43.9 | -69 | 0 | 0 | 0 | 111.3 | ||
| 135 | I | 84.6 | Confident | 89.2 | Confident | 63 Ų | 63 | 51.5 Ų | 51.5 | 32% | 0.323 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -130.9 | 171.5 | 172.2 | 60 | 163.1 | 0 | 0 | 0 | 111.4 | R133 L137 L154 E317 | R133-I135 VanDerWaalsContact C-N 3.27Å; R133-I135 PolarHBondContact N-O 2.76Å; R133-I135 VanDerWaalsContact N-O 3.07Å; I135-L137 HydrophobicContact CD1-CD2 3.71Å; I135-L137 HydrophobicContact CG1-CD2 3.76Å; I135-L137 HydrophobicContact CG1-CG 4.41Å; I135-L137 PolarHBondContact O-N 2.86Å; I135-L154 HydrophobicContact CD1-CD1 4.24Å; I135-L154 HydrophobicContact CD1-CD2 3.63Å; I135-E317 WeakPolarHBondContact CD1-OE1 3.27Å |
| 136 | L | 85.6 | Confident | 89.3 | Confident | 89 Ų | 89 | 51.8 Ų | 51.8 | 47% | 0.466 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 97.4 | 173.7 | -71.7 | 176 | 0 | 0 | 0 | 111.1 | L132 Q138 V197 | L132-L136 HydrophobicContact CB-CD2 3.89Å; L132-L136 HydrophobicContact CD1-CD2 3.67Å; L132-L136 HydrophobicContact CD1-CG 4.23Å; L132-L136 HydrophobicContact CG-CD2 4.34Å; L136-Q138 PolarHBondContact O-N 2.73Å; L136-V197 HydrophobicContact CD2-CG2 3.47Å; L136-V197 VanDerWaalsContact CD2-CG2 3.47Å |
| 137 | L | 90.5 | Very high | 89.4 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 100.6 | 176.7 | -58.2 | 178.7 | 0 | 0 | 0 | 109.8 | A130 L131 I135 F150 A152 L154 I159 | A130-L137 CarbonylContact C-O 3.21Å; A130-L137 WeakPolarHBondContact CA-O 3.46Å; L131-L137 HydrophobicContact CB-CB 4.39Å; L131-L137 PolarHBondContact N-O 3.29Å; L131-L137 WeakPolarHBondContact O-CB 3.5Å; L131-L137 PolarHBondContact O-N 3.12Å; I135-L137 HydrophobicContact CD1-CD2 3.71Å; I135-L137 HydrophobicContact CG1-CD2 3.76Å; I135-L137 HydrophobicContact CG1-CG 4.41Å; I135-L137 PolarHBondContact O-N 2.86Å; L137-F150 HydrophobicContact CB-CE1 4.23Å; L137-F150 HydrophobicContact CB-CZ 4.49Å; L137-F150 VanDerWaalsContact O-CZ 3.3Å; L137-F150 WeakPolarHBondContact O-CZ 3.49Å; L137-A152 HydrophobicContact CB-CB 4.21Å; L137-L154 HydrophobicContact CD2-CD1 4.39Å; L137-L154 HydrophobicContact CD2-CD2 3.85Å; L137-L154 HydrophobicContact CD2-CG 4.5Å; L137-I159 HydrophobicContact CD1-CD1 4.04Å; L137-I159 HydrophobicContact CD1-CG2 4.13Å; L137-I159 HydrophobicContact CD2-CD1 3.68Å; L137-I159 HydrophobicContact CG-CD1 4.46Å |
| 138 | Q | 90.6 | Very high | 89.5 | Confident | 165 Ų | 165 | 49.7 Ų | 49.7 | 77% | 0.771 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 128.5 | 177.2 | -178.6 | 171.6 | -31.4 | 0 | 0 | 111.3 | L136 A152 | L136-Q138 PolarHBondContact O-N 2.73Å; Q138-A152 VanDerWaalsContact O-CB 3.26Å; Q138-A152 WeakPolarHBondContact O-CB 2.98Å |
| 139 | G | 92.4 | Very high | 89.6 | Confident | 16 Ų | 16 | 46.4 Ų | 46.4 | 17% | 0.165 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.4 | -151.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | C129 Y151 | C129-G139 PolarHBondContact N-O 2.84Å; C129-G139 CarbonylContact O-C 3.45Å; C129-G139 VanDerWaalsContact O-C 3.26Å; C129-G139 PolarHBondContact O-N 2.99Å; G139-Y151 CarbonylContact C-O 3.26Å; G139-Y151 WeakPolarHBondContact CA-O 3.49Å |
| 140 | R | 91.9 | Very high | 89.8 | Confident | 101 Ų | 101 | 46.2 Ų | 46.2 | 38% | 0.381 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 132.1 | 179.5 | -63.5 | -178.1 | -176 | -177.1 | 1.5 | 110.6 | V126 Y127 Y142 F150 Y151 | V126-R140 HydrophobicContact CG1-CB 4.21Å; Y127-R140 CarbonylContact O-C 3.37Å; Y127-R140 WeakPolarHBondContact O-CA 3.43Å; R140-Y142 HydrophobicContact CB-CD2 4.42Å; R140-Y142 HydrophobicContact CB-CE2 3.73Å; R140-F150 WeakPolarHBondContact O-CA 3.37Å; R140-F150 WeakPolarHBondContact O-CD2 3.41Å; R140-Y151 PolarHBondContact N-O 3.02Å; R140-Y151 PolarHBondContact O-N 2.88Å |
| 141 | L | 91.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 119.6 | 169.7 | 178.6 | 65.4 | 0 | 0 | 0 | 109.1 | V126 Y127 I143 L148 F150 F196 | V126-L141 CarbonylContact C-O 3.51Å; V126-L141 WeakPolarHBondContact CA-O 3.49Å; Y127-L141 PolarHBondContact N-O 3.42Å; Y127-L141 PolarHBondContact O-N 3.32Å; L141-I143 HydrophobicContact CD2-CD1 4.06Å; L141-I143 HydrophobicContact CD2-CG1 4.2Å; L141-I143 HydrophobicContact CG-CD1 4.39Å; L141-I143 HydrophobicContact CG-CG1 3.98Å; L141-L148 HydrophobicContact CD1-CB 4.5Å; L141-F150 HydrophobicContact CB-CD2 4.4Å; L141-F150 HydrophobicContact CD1-CB 4.34Å; L141-F196 HydrophobicContact CD1-CE1 4.25Å; L141-F196 HydrophobicContact CD1-CZ 4.34Å |
| 142 | Y | 91.8 | Very high | 90 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 126.7 | 172.6 | -62.8 | -97.1 | 0 | 0 | 0 | 107.8 | Y110 L113 F114 L123 V126 R140 C149 | Y110-Y142 AromaticContact CD2-CD1 3.86Å; Y110-Y142 HydrophobicContact CD2-CD1 3.86Å; Y110-Y142 AromaticContact CD2-CG 3.82Å; Y110-Y142 HydrophobicContact CD2-CG 3.82Å; Y110-Y142 HydrophobicContact CE2-CG 4.33Å; L113-Y142 HydrophobicContact CD1-CE2 4.36Å; F114-Y142 HydrophobicContact CE2-CD2 4.06Å; F114-Y142 HydrophobicContact CE2-CE2 4.49Å; L123-Y142 HydrophobicContact CD1-CD1 3.8Å; L123-Y142 HydrophobicContact CD1-CG 4.26Å; L123-Y142 HydrophobicContact CD2-CD1 4.03Å; V126-Y142 HydrophobicContact CG1-CD1 4.22Å; V126-Y142 HydrophobicContact CG1-CE1 4.01Å; V126-Y142 HydrophobicContact CG2-CD1 3.73Å; V126-Y142 HydrophobicContact CG2-CE1 3.89Å; R140-Y142 HydrophobicContact CB-CD2 4.42Å; R140-Y142 HydrophobicContact CB-CE2 3.73Å; Y142-C149 WeakPolarHBondContact CB-O 3.3Å; Y142-C149 PolarHBondContact N-O 3.18Å; Y142-C149 PolarHBondContact O-N 3.44Å |
| 143 | I | 90.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 120.9 | -178.9 | -59 | -166.7 | 0 | 0 | 0 | 108 | M124 K125 Y127 L141 L148 V205 V208 L209 I212 | M124-I143 WeakPolarHBondContact CA-O 3.2Å; M124-I143 WeakPolarHBondContact CB-O 3.16Å; M124-I143 PolarHBondContact N-O 3.07Å; K125-I143 PolarHBondContact N-O 3.08Å; K125-I143 VanDerWaalsContact N-O 3.08Å; K125-I143 PolarHBondContact O-N 3.17Å; Y127-I143 HydrophobicContact CD2-CD1 3.84Å; Y127-I143 HydrophobicContact CD2-CG1 4.26Å; Y127-I143 HydrophobicContact CE2-CD1 3.78Å; Y127-I143 HydrophobicContact CE2-CG1 4.41Å; L141-I143 HydrophobicContact CD2-CD1 4.06Å; L141-I143 HydrophobicContact CD2-CG1 4.2Å; L141-I143 HydrophobicContact CG-CD1 4.39Å; L141-I143 HydrophobicContact CG-CG1 3.98Å; I143-L148 HydrophobicContact CB-CD2 4.25Å; I143-L148 HydrophobicContact CD1-CD2 4.39Å; I143-L148 HydrophobicContact CG1-CD2 4.03Å; I143-L148 HydrophobicContact CG2-CD2 3.8Å; I143-V205 HydrophobicContact CD1-CG1 4.4Å; I143-V208 HydrophobicContact CG2-CG1 4.41Å; I143-L209 HydrophobicContact CD1-CD2 3.98Å; I143-L209 HydrophobicContact CD1-CG 4.15Å; I143-I212 HydrophobicContact CG2-CD1 3.36Å |
| 144 | S | 90.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -116.7 | -176.9 | 175.5 | -56 | 0 | 0 | 0 | 0 | 109.6 | Y110 W147 | Y110-S144 WeakPolarHBondContact CE1-OG 3.47Å; Y110-S144 PolarHBondContact OH-OG 2.99Å; S144-W147 PolarHBondContact N-O 3.43Å | ||
| 145 | R | 86.4 | Confident | 89.7 | Confident | 90 Ų | 90 | 42.5 Ų | 42.5 | 34% | 0.34 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -64.6 | -49.9 | -179.4 | -78.6 | 178.7 | 153.4 | 139.2 | -5.2 | 111.7 | V94 Y98 E121 M124 I212 | V94-R145 HydrophobicContact CG1-CG 4.19Å; Y98-R145 PolarHBondContact OH-NH1 3.43Å; E121-R145 PolarHBondContact OE2-N 2.89Å; M124-R145 HydrophobicContact SD-CB 4.46Å; M124-R145 HydrophobicContact SD-CG 3.8Å; R145-I212 WeakPolarHBondContact O-CG2 3.5Å |
| 146 | N | 88.4 | Confident | 89.5 | Confident | 59 Ų | 59 | 42.5 Ų | 42.5 | 32% | 0.316 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -111.7 | 0.7 | -173.6 | -55.8 | 29.4 | 0 | 0 | 0 | 113 | E121 V165 | E121-N146 WeakPolarHBondContact OE1-CB 3.4Å; E121-N146 PolarHBondContact OE1-OD1 3.46Å; E121-N146 PolarHBondContact OE2-N 2.92Å; N146-V165 VanDerWaalsContact C-CG2 3.49Å; N146-V165 WeakPolarHBondContact O-CB 3.5Å; N146-V165 PolarHBondContact O-N 3.14Å |
| 147 | W | 90.7 | Very high | 89.4 | Confident | 31 Ų | 31 | 41.9 Ų | 41.9 | 12% | 0.117 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 138.1 | -173.1 | -63.4 | 87.3 | 0 | 0 | 0 | 113.6 | I41 V117 S144 A162 P164 | I41-W147 HydrophobicContact CD1-CH2 3.89Å; I41-W147 HydrophobicContact CG1-CH2 4.42Å; V117-W147 HydrophobicContact CG1-CG 4.25Å; V117-W147 HydrophobicContact CG2-CD2 4.28Å; V117-W147 HydrophobicContact CG2-CG 4.26Å; S144-W147 PolarHBondContact N-O 3.43Å; W147-A162 HydrophobicContact CE3-CB 4.35Å; W147-A162 HydrophobicContact CZ3-CB 4.42Å; W147-P164 HydrophobicContact CE3-CB 4.45Å; W147-P164 HydrophobicContact CE3-CG 4.22Å; W147-P164 HydrophobicContact CH2-CG 4.06Å; W147-P164 HydrophobicContact CZ3-CB 4.3Å; W147-P164 HydrophobicContact CZ3-CG 3.68Å |
| 148 | L | 92.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 113.2 | 167.9 | -54 | 179 | 0 | 0 | 0 | 108.1 | L141 I143 I163 V165 V168 I186 L209 | L141-L148 HydrophobicContact CD1-CB 4.5Å; I143-L148 HydrophobicContact CB-CD2 4.25Å; I143-L148 HydrophobicContact CD1-CD2 4.39Å; I143-L148 HydrophobicContact CG1-CD2 4.03Å; I143-L148 HydrophobicContact CG2-CD2 3.8Å; L148-I163 HydrophobicContact CB-CB 4.36Å; L148-I163 PolarHBondContact N-O 2.91Å; L148-I163 PolarHBondContact O-N 2.91Å; L148-V165 HydrophobicContact CD2-CG2 4.23Å; L148-V165 HydrophobicContact CG-CG2 4.04Å; L148-V168 HydrophobicContact CD1-CG2 4.01Å; L148-I186 HydrophobicContact CD1-CD1 4.12Å; L148-L209 HydrophobicContact CD1-CD2 3.55Å; L148-L209 HydrophobicContact CD2-CD2 3.48Å; L148-L209 VanDerWaalsContact CD2-CD2 3.48Å; L148-L209 HydrophobicContact CG-CD2 4.17Å |
| 149 | C | 92.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 124 | -175.4 | -54.6 | 0 | 0 | 0 | 0 | 110.7 | Y110 F114 Y142 V161 | Y110-C149 HydrophobicContact CE2-CB 3.82Å; Y110-C149 PolarHBondContact OH-SG 3.49Å; Y110-C149 VanDerWaalsContact OH-SG 3.34Å; F114-C149 HydrophobicContact CD1-CB 3.97Å; F114-C149 HydrophobicContact CD2-CB 3.89Å; F114-C149 HydrophobicContact CE1-CB 3.73Å; F114-C149 HydrophobicContact CE2-CB 3.65Å; F114-C149 HydrophobicContact CG-CB 4.04Å; F114-C149 HydrophobicContact CZ-CB 3.56Å; Y142-C149 WeakPolarHBondContact CB-O 3.3Å; Y142-C149 PolarHBondContact N-O 3.18Å; Y142-C149 PolarHBondContact O-N 3.44Å; C149-V161 CarbonylContact C-O 3.5Å; C149-V161 VanDerWaalsContact CA-O 3.28Å; C149-V161 WeakPolarHBondContact CA-O 3.3Å |
| 150 | F | 94.7 | Very high | 89.3 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.009 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 131.1 | 176.2 | 177.4 | -99.2 | 0 | 0 | 0 | 110.4 | L131 L137 R140 L141 A152 K160 V161 F196 | L131-F150 HydrophobicContact CB-CD1 3.94Å; L131-F150 HydrophobicContact CB-CE1 3.57Å; L131-F150 HydrophobicContact CB-CE2 4.29Å; L131-F150 HydrophobicContact CB-CG 4.44Å; L131-F150 HydrophobicContact CB-CZ 3.78Å; L131-F150 HydrophobicContact CD2-CD1 3.9Å; L131-F150 HydrophobicContact CD2-CE1 4.2Å; L137-F150 HydrophobicContact CB-CE1 4.23Å; L137-F150 HydrophobicContact CB-CZ 4.49Å; L137-F150 VanDerWaalsContact O-CZ 3.3Å; L137-F150 WeakPolarHBondContact O-CZ 3.49Å; R140-F150 WeakPolarHBondContact O-CA 3.37Å; R140-F150 WeakPolarHBondContact O-CD2 3.41Å; L141-F150 HydrophobicContact CB-CD2 4.4Å; L141-F150 HydrophobicContact CD1-CB 4.34Å; F150-A152 HydrophobicContact CE1-CB 3.63Å; F150-A152 HydrophobicContact CZ-CB 3.82Å; F150-K160 WeakPolarHBondContact O-CA 3.08Å; F150-V161 HydrophobicContact CB-CB 4.34Å; F150-V161 PolarHBondContact N-O 2.95Å; F150-V161 PolarHBondContact O-N 2.88Å; F150-F196 HydrophobicContact CB-CE1 4.01Å; F150-F196 HydrophobicContact CD2-CD1 4.34Å; F150-F196 AromaticContact CD2-CE1 3.9Å; F150-F196 HydrophobicContact CD2-CE1 3.9Å; F150-F196 AromaticContact CG-CE1 3.98Å; F150-F196 HydrophobicContact CG-CE1 3.98Å |
| 151 | Y | 93.3 | Very high | 89.2 | Confident | 41 Ų | 41 | 38.2 Ų | 38.2 | 16% | 0.161 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 128.2 | 175.2 | 172.5 | -108 | 0 | 0 | 0 | 110 | L113 G139 R140 D158 I159 K160 | L113-Y151 HydrophobicContact CD1-CD1 4.03Å; L113-Y151 HydrophobicContact CD1-CE1 4.47Å; L113-Y151 HydrophobicContact CD1-CG 4.06Å; L113-Y151 HydrophobicContact CD2-CD1 4.45Å; L113-Y151 HydrophobicContact CD2-CD2 4.05Å; L113-Y151 HydrophobicContact CD2-CE1 4.26Å; L113-Y151 HydrophobicContact CD2-CE2 3.85Å; L113-Y151 HydrophobicContact CD2-CG 4.34Å; G139-Y151 CarbonylContact C-O 3.26Å; G139-Y151 WeakPolarHBondContact CA-O 3.49Å; R140-Y151 PolarHBondContact N-O 3.02Å; R140-Y151 PolarHBondContact O-N 2.88Å; Y151-D158 HydrophobicContact CE2-CB 4.09Å; Y151-D158 VanDerWaalsContact CE2-CG 3.46Å; Y151-D158 VanDerWaalsContact CE2-OD1 3.29Å; Y151-D158 WeakPolarHBondContact CE2-OD1 3.41Å; Y151-D158 PolarHBondContact OH-OD1 2.85Å; Y151-I159 WeakPolarHBondContact CA-O 3.16Å; Y151-K160 HydrophobicContact CD2-CG 3.87Å; Y151-K160 HydrophobicContact CE2-CG 4.48Å |
| 152 | A | 93.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 146.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | L137 Q138 F150 I159 | L137-A152 HydrophobicContact CB-CB 4.21Å; Q138-A152 VanDerWaalsContact O-CB 3.26Å; Q138-A152 WeakPolarHBondContact O-CB 2.98Å; F150-A152 HydrophobicContact CE1-CB 3.63Å; F150-A152 HydrophobicContact CZ-CB 3.82Å; A152-I159 HydrophobicContact CB-CB 4.49Å; A152-I159 PolarHBondContact N-O 2.69Å; A152-I159 PolarHBondContact O-N 3.08Å |
| 153 | N | 88.3 | Confident | 89.2 | Confident | 90 Ų | 90 | 40.1 Ų | 40.1 | 48% | 0.481 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 121.1 | 165.5 | -176.4 | -36.6 | 0 | 0 | 0 | 107.2 | G156 | N153-G156 WeakPolarHBondContact OD1-CA 3.46Å; N153-G156 PolarHBondContact OD1-N 3.42Å; N153-G156 VanDerWaalsContact OD1-N 3.12Å |
| 154 | L | 85.1 | Confident | 89.3 | Confident | 24 Ų | 24 | 41.7 Ų | 41.7 | 13% | 0.126 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 112.1 | 179.6 | -170.7 | 79.5 | 0 | 0 | 0 | 108.6 | I135 L137 G156 K157 I159 E317 | I135-L154 HydrophobicContact CD1-CD1 4.24Å; I135-L154 HydrophobicContact CD1-CD2 3.63Å; L137-L154 HydrophobicContact CD2-CD1 4.39Å; L137-L154 HydrophobicContact CD2-CD2 3.85Å; L137-L154 HydrophobicContact CD2-CG 4.5Å; L154-G156 PolarHBondContact O-N 3.01Å; L154-G156 VanDerWaalsContact O-N 3.14Å; L154-K157 PolarHBondContact N-O 3.06Å; L154-K157 WeakPolarHBondContact O-CB 3.48Å; L154-K157 PolarHBondContact O-N 3.26Å; L154-I159 HydrophobicContact CB-CD1 3.78Å; L154-I159 HydrophobicContact CD2-CD1 4.04Å; L154-E317 VanDerWaalsContact CD2-OE1 3.28Å; L154-E317 WeakPolarHBondContact CD2-OE1 3.2Å |
| 155 | F | 77.9 | Confident | 89.3 | Confident | 112 Ų | 112 | 42.1 Ų | 42.1 | 49% | 0.491 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | 37.6 | -179.6 | -51.2 | -57.6 | 0 | 0 | 0 | 114.4 | K157 L320 | F155-K157 VanDerWaalsContact C-N 3.28Å; F155-K157 PolarHBondContact O-N 3.26Å; F155-L320 HydrophobicContact CD1-CD1 4.44Å; F155-L320 HydrophobicContact CD1-CD2 3.81Å; F155-L320 HydrophobicContact CD2-CD2 3.98Å; F155-L320 HydrophobicContact CE1-CD1 4.35Å; F155-L320 HydrophobicContact CE1-CD2 3.23Å; F155-L320 HydrophobicContact CE1-CG 4.41Å; F155-L320 HydrophobicContact CE2-CD2 3.42Å; F155-L320 VanDerWaalsContact CE2-CD2 3.42Å; F155-L320 HydrophobicContact CG-CD2 4.19Å; F155-L320 HydrophobicContact CZ-CD2 3.04Å; F155-L320 HydrophobicContact CZ-CG 4.48Å |
| 156 | G | 80.7 | Confident | 89.4 | Confident | 64 Ų | 64 | 42.2 Ų | 42.2 | 66% | 0.66 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.7 | -5 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | N153 L154 | N153-G156 WeakPolarHBondContact OD1-CA 3.46Å; N153-G156 PolarHBondContact OD1-N 3.42Å; N153-G156 VanDerWaalsContact OD1-N 3.12Å; L154-G156 PolarHBondContact O-N 3.01Å; L154-G156 VanDerWaalsContact O-N 3.14Å |
| 157 | K | 83.7 | Confident | 89.5 | Confident | 76 Ų | 76 | 40.5 Ų | 40.5 | 33% | 0.33 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 126.5 | 169.5 | -67.2 | -172.3 | 176 | -174.1 | 0 | 110.5 | L154 F155 I159 E312 L313 M316 | L154-K157 PolarHBondContact N-O 3.06Å; L154-K157 WeakPolarHBondContact O-CB 3.48Å; L154-K157 PolarHBondContact O-N 3.26Å; F155-K157 VanDerWaalsContact C-N 3.28Å; F155-K157 PolarHBondContact O-N 3.26Å; K157-I159 PolarHBondContact O-N 2.93Å; K157-E312 PolarHBondContact NZ-O 3.14Å; K157-L313 HydrophobicContact CD-CD1 4.18Å; K157-M316 VanDerWaalsContact CE-SD 3.52Å |
| 158 | D | 88.6 | Confident | 89.5 | Confident | 78 Ų | 78 | 39.1 Ų | 39.1 | 42% | 0.417 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 105.6 | 173.7 | -97.9 | 10.7 | 0 | 0 | 0 | 110.4 | Y151 K160 | Y151-D158 HydrophobicContact CE2-CB 4.09Å; Y151-D158 VanDerWaalsContact CE2-CG 3.46Å; Y151-D158 VanDerWaalsContact CE2-OD1 3.29Å; Y151-D158 WeakPolarHBondContact CE2-OD1 3.41Å; Y151-D158 PolarHBondContact OH-OD1 2.85Å; D158-K160 VanDerWaalsContact OD2-CE 3.31Å; D158-K160 WeakPolarHBondContact OD2-CE 3.15Å; D158-K160 IonicContact OD2-NZ 2.72Å; D158-K160 PolarHBondContact OD2-NZ 2.79Å |
| 159 | I | 90.1 | Very high | 89.4 | Confident | 28 Ų | 28 | 47 Ų | 47 | 14% | 0.144 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 118.2 | 174.6 | -58.1 | 170.5 | 0 | 0 | 0 | 109 | L137 Y151 A152 L154 K157 L313 | L137-I159 HydrophobicContact CD1-CD1 4.04Å; L137-I159 HydrophobicContact CD1-CG2 4.13Å; L137-I159 HydrophobicContact CD2-CD1 3.68Å; L137-I159 HydrophobicContact CG-CD1 4.46Å; Y151-I159 WeakPolarHBondContact CA-O 3.16Å; A152-I159 HydrophobicContact CB-CB 4.49Å; A152-I159 PolarHBondContact N-O 2.69Å; A152-I159 PolarHBondContact O-N 3.08Å; L154-I159 HydrophobicContact CB-CD1 3.78Å; L154-I159 HydrophobicContact CD2-CD1 4.04Å; K157-I159 PolarHBondContact O-N 2.93Å; I159-L313 HydrophobicContact CD1-CD1 4.24Å; I159-L313 HydrophobicContact CD1-CD2 4.26Å |
| 160 | K | 92.1 | Very high | 89.2 | Confident | 91 Ų | 91 | 51.3 Ų | 51.3 | 40% | 0.396 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 125.8 | -176.2 | -70.3 | 166.4 | -177.5 | 177.5 | 0 | 109.7 | L113 F114 F150 Y151 D158 | L113-K160 VanDerWaalsContact O-CD 3.3Å; L113-K160 WeakPolarHBondContact O-CD 3.33Å; L113-K160 VanDerWaalsContact O-CE 3.25Å; L113-K160 WeakPolarHBondContact O-CE 3.4Å; L113-K160 PolarHBondContact O-NZ 2.9Å; L113-K160 VanDerWaalsContact O-NZ 3.13Å; F114-K160 HydrophobicContact CD1-CB 4.4Å; F114-K160 HydrophobicContact CE1-CB 3.83Å; F114-K160 HydrophobicContact CE1-CG 4.03Å; F114-K160 HydrophobicContact CZ-CG 4.49Å; F150-K160 WeakPolarHBondContact O-CA 3.08Å; Y151-K160 HydrophobicContact CD2-CG 3.87Å; Y151-K160 HydrophobicContact CE2-CG 4.48Å; D158-K160 VanDerWaalsContact OD2-CE 3.31Å; D158-K160 WeakPolarHBondContact OD2-CE 3.15Å; D158-K160 IonicContact OD2-NZ 2.72Å; D158-K160 PolarHBondContact OD2-NZ 2.79Å |
| 161 | V | 91.1 | Very high | 89 | Confident | 11 Ų | 11 | 51.8 Ų | 51.8 | 7% | 0.067 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 124.1 | 175.7 | -174.3 | 0 | 0 | 0 | 0 | 107.9 | L131 C149 F150 I163 Y194 | L131-V161 HydrophobicContact CD2-CG2 4.17Å; C149-V161 CarbonylContact C-O 3.5Å; C149-V161 VanDerWaalsContact CA-O 3.28Å; C149-V161 WeakPolarHBondContact CA-O 3.3Å; F150-V161 HydrophobicContact CB-CB 4.34Å; F150-V161 PolarHBondContact N-O 2.95Å; F150-V161 PolarHBondContact O-N 2.88Å; V161-I163 HydrophobicContact CG1-CD1 4.29Å; V161-I163 HydrophobicContact CG1-CG1 3.98Å; V161-Y194 HydrophobicContact CG1-CD1 4.48Å; V161-Y194 HydrophobicContact CG1-CE1 3.86Å |
| 162 | A | 91.9 | Very high | 88.8 | Confident | 37 Ų | 37 | 56.6 Ų | 56.6 | 31% | 0.306 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 119.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | W147 | W147-A162 HydrophobicContact CE3-CB 4.35Å; W147-A162 HydrophobicContact CZ3-CB 4.42Å |
| 163 | I | 92 | Very high | 88.6 | Confident | 6 Ų | 6 | 60.5 Ų | 60.5 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 114.2 | -179.1 | -51.5 | 175.1 | 0 | 0 | 0 | 107 | L148 V161 V168 Y194 | L148-I163 HydrophobicContact CB-CB 4.36Å; L148-I163 PolarHBondContact N-O 2.91Å; L148-I163 PolarHBondContact O-N 2.91Å; V161-I163 HydrophobicContact CG1-CD1 4.29Å; V161-I163 HydrophobicContact CG1-CG1 3.98Å; I163-V168 HydrophobicContact CG2-CG2 4.16Å; I163-Y194 HydrophobicContact CD1-CD1 4.05Å; I163-Y194 HydrophobicContact CD1-CD2 3.64Å; I163-Y194 HydrophobicContact CD1-CE1 4.22Å; I163-Y194 HydrophobicContact CD1-CE2 3.82Å; I163-Y194 HydrophobicContact CD1-CG 3.75Å; I163-Y194 HydrophobicContact CG1-CE2 4.39Å |
| 164 | P | 91.3 | Very high | 88.4 | Confident | 33 Ų | 33 | 58.7 Ų | 58.7 | 21% | 0.214 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 138.1 | 171.2 | -18.3 | 28.5 | 0 | 0 | 0 | 110.7 | W147 V166 T167 | W147-P164 HydrophobicContact CE3-CB 4.45Å; W147-P164 HydrophobicContact CE3-CG 4.22Å; W147-P164 HydrophobicContact CH2-CG 4.06Å; W147-P164 HydrophobicContact CZ3-CB 4.3Å; W147-P164 HydrophobicContact CZ3-CG 3.68Å; P164-V166 HydrophobicContact CB-CG2 3.81Å; P164-V166 PolarHBondContact O-N 3.01Å; P164-T167 HydrophobicContact CB-CG2 4.15Å; P164-T167 HydrophobicContact CG-CG2 4.15Å; P164-T167 PolarHBondContact O-N 2.88Å; P164-T167 VanDerWaalsContact O-N 3.12Å; P164-T167 PolarHBondContact O-OG1 3.44Å |
| 165 | V | 90.4 | Very high | 88 | Confident | 9 Ų | 9 | 65.3 Ų | 65.3 | 6% | 0.055 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -57.4 | -39 | 175.8 | 162.1 | 0 | 0 | 0 | 0 | 110.9 | N146 L148 T167 V168 I212 C213 H215 | N146-V165 VanDerWaalsContact C-CG2 3.49Å; N146-V165 WeakPolarHBondContact O-CB 3.5Å; N146-V165 PolarHBondContact O-N 3.14Å; L148-V165 HydrophobicContact CD2-CG2 4.23Å; L148-V165 HydrophobicContact CG-CG2 4.04Å; V165-T167 PolarHBondContact O-N 3.4Å; V165-V168 WeakPolarHBondContact O-CB 3.47Å; V165-V168 PolarHBondContact O-N 3.19Å; V165-V168 VanDerWaalsContact O-N 3.08Å; V165-I212 HydrophobicContact CG1-CG2 4.16Å; V165-I212 HydrophobicContact CG2-CG2 3.88Å; V165-C213 HydrophobicContact CG1-CB 4.35Å; V165-H215 PolarHBondContact O-CE1 3.28Å; V165-H215 PolarHBondContact O-NE2 2.89Å |
| 166 | V | 88.6 | Confident | 87.5 | Confident | 93 Ų | 93 | 62.3 Ų | 62.3 | 56% | 0.564 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -61.6 | -23.7 | 179 | -60.3 | 0 | 0 | 0 | 0 | 114.4 | P164 | P164-V166 HydrophobicContact CB-CG2 3.81Å; P164-V166 PolarHBondContact O-N 3.01Å |
| 167 | T | 90.3 | Very high | 86.2 | Confident | 22 Ų | 22 | 63.9 Ų | 63.9 | 14% | 0.135 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -92.1 | -7 | 177.8 | 64.8 | 0 | 0 | 0 | 0 | 112.8 | P164 V165 R169 T188 D189 | P164-T167 HydrophobicContact CB-CG2 4.15Å; P164-T167 HydrophobicContact CG-CG2 4.15Å; P164-T167 PolarHBondContact O-N 2.88Å; P164-T167 VanDerWaalsContact O-N 3.12Å; P164-T167 PolarHBondContact O-OG1 3.44Å; V165-T167 PolarHBondContact O-N 3.4Å; T167-R169 PolarHBondContact O-N 2.94Å; T167-T188 CarbonylContact O-C 3.6Å; T167-T188 VanDerWaalsContact O-CA 3.27Å; T167-T188 WeakPolarHBondContact O-CA 3.47Å; T167-T188 WeakPolarHBondContact O-CG2 3.44Å; T167-D189 WeakPolarHBondContact CG2-OD2 3.42Å; T167-D189 PolarHBondContact O-N 3.3Å |
| 168 | V | 91.8 | Very high | 84.9 | Confident | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.012 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 120.8 | 175 | -179.9 | 0 | 0 | 0 | 0 | 109.1 | L148 I163 V165 V171 I186 H215 L216 | L148-V168 HydrophobicContact CD1-CG2 4.01Å; I163-V168 HydrophobicContact CG2-CG2 4.16Å; V165-V168 WeakPolarHBondContact O-CB 3.47Å; V165-V168 PolarHBondContact O-N 3.19Å; V165-V168 VanDerWaalsContact O-N 3.08Å; V168-V171 HydrophobicContact CG1-CG2 3.74Å; V168-I186 HydrophobicContact CB-CG2 4.41Å; V168-I186 HydrophobicContact CG1-CG2 3.64Å; V168-I186 HydrophobicContact CG2-CG2 3.98Å; V168-H215 PolarHBondContact O-NE2 3.5Å; V168-L216 HydrophobicContact CG1-CD1 3.93Å; V168-L216 WeakPolarHBondContact O-CD2 3.31Å |
| 169 | R | 89.9 | Confident | 83.4 | Confident | 166 Ų | 166 | 67.9 Ų | 67.9 | 63% | 0.626 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.3 | -30.5 | 179.5 | -176.2 | 179.6 | 173.2 | -151.9 | -1.3 | 113.4 | T167 T187 N191 L216 | T167-R169 PolarHBondContact O-N 2.94Å; R169-T187 PolarHBondContact N-O 3.21Å; R169-N191 PolarHBondContact NH1-OD1 2.76Å; R169-L216 WeakPolarHBondContact O-CD2 3.31Å |
| 170 | L | 88 | Confident | 81.9 | Confident | 91 Ų | 91 | 67.8 Ų | 67.8 | 48% | 0.476 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 141.4 | 179.3 | -178.5 | 64.1 | 0 | 0 | 0 | 110.7 | I186 T187 | L170-I186 WeakPolarHBondContact O-CA 3.36Å; L170-T187 PolarHBondContact N-O 3.03Å; L170-T187 VanDerWaalsContact N-O 3.12Å; L170-T187 PolarHBondContact O-N 2.85Å |
| 171 | V | 90.6 | Very high | 80.3 | Confident | 13 Ų | 13 | 67.4 Ų | 67.4 | 8% | 0.079 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 120.4 | 167.7 | -178.8 | 0 | 0 | 0 | 0 | 107.9 | V168 L184 A185 I186 Y206 L209 L216 | V168-V171 HydrophobicContact CG1-CG2 3.74Å; V171-L184 HydrophobicContact CG1-CD1 3.64Å; V171-L184 HydrophobicContact CG1-CD2 4.21Å; V171-L184 HydrophobicContact CG1-CG 4.06Å; V171-A185 CarbonylContact C-O 3.6Å; V171-A185 WeakPolarHBondContact CA-O 3.4Å; V171-I186 HydrophobicContact CG2-CG1 4.39Å; V171-I186 HydrophobicContact CG2-CG2 4.47Å; V171-Y206 HydrophobicContact CB-CE2 4.45Å; V171-Y206 HydrophobicContact CG1-CD2 3.79Å; V171-Y206 HydrophobicContact CG1-CE2 4.01Å; V171-Y206 WeakPolarHBondContact O-CE2 3.25Å; V171-L209 HydrophobicContact CG1-CD1 4.47Å; V171-L216 HydrophobicContact CB-CD1 4.44Å; V171-L216 HydrophobicContact CG2-CD1 3.73Å |
| 172 | K | 89.4 | Confident | 79.8 | Confident | 141 Ų | 141 | 69.6 Ų | 69.6 | 61% | 0.613 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 131.9 | -178.2 | -174.8 | 170.8 | -178 | 173 | 0 | 110.4 | H174 A185 | K172-H174 PolarHBondContact O-N 3.34Å; K172-A185 PolarHBondContact N-O 2.87Å; K172-A185 PolarHBondContact O-N 3.33Å |
| 173 | K | 89.4 | Confident | 79.6 | Confident | 84 Ų | 84 | 67.9 Ų | 67.9 | 37% | 0.365 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 122.8 | 172.4 | -60.5 | -175.8 | -178.6 | -169.1 | 0 | 108.6 | D203 Y206 | K173-D203 WeakPolarHBondContact CD-OD1 3.39Å; K173-D203 VanDerWaalsContact CE-OD1 3.3Å; K173-D203 WeakPolarHBondContact CE-OD1 3.48Å; K173-D203 IonicContact NZ-OD1 3.22Å; K173-D203 PolarHBondContact NZ-OD1 2.91Å; K173-Y206 HydrophobicContact CD-CD2 4.42Å; K173-Y206 HydrophobicContact CD-CG 4.34Å; K173-Y206 HydrophobicContact CG-CD2 3.73Å; K173-Y206 HydrophobicContact CG-CE2 4.08Å; K173-Y206 HydrophobicContact CG-CG 4.09Å |
| 174 | H | 83.9 | Confident | 79.5 | Confident | 52 Ų | 52 | 67.6 Ų | 67.6 | 24% | 0.241 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 132.2 | -177.4 | -163.1 | -90.4 | 0 | 0 | 0 | 109.6 | K172 T176 G183 A185 | K172-H174 PolarHBondContact O-N 3.34Å; H174-T176 PolarHBondContact CE1-OG1 2.82Å; H174-T176 PolarHBondContact ND1-OG1 2.82Å; H174-G183 PolarHBondContact N-O 2.82Å; H174-G183 CarbonylContact O-C 3.58Å; H174-G183 WeakPolarHBondContact O-CA 3.17Å; H174-G183 PolarHBondContact O-N 2.8Å; H174-A185 HydrophobicContact CB-CB 4.36Å |
| 175 | K | 77.1 | Confident | 79.5 | Confident | 162 Ų | 162 | 66.2 Ų | 66.2 | 70% | 0.704 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 111.3 | 172 | -67.9 | -178.4 | 178.8 | -179.4 | 0 | 107 | ||
| 176 | T | 66.3 | Low | 79.6 | Confident | 50 Ų | 50 | 65.9 Ų | 65.9 | 31% | 0.307 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 121.1 | 171.6 | -56.4 | 0 | 0 | 0 | 0 | 107.3 | H174 V180 | H174-T176 PolarHBondContact CE1-OG1 2.82Å; H174-T176 PolarHBondContact ND1-OG1 2.82Å; T176-V180 PolarHBondContact N-O 3.06Å |
| 177 | A | 54.4 | Low | 79.8 | Confident | 97 Ų | 97 | 62.9 Ų | 62.9 | 80% | 0.802 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 139.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L179 | A177-L179 PolarHBondContact O-N 2.8Š|
| 178 | G | 56.7 | Low | 79.9 | Confident | 96 Ų | 96 | 62.1 Ų | 62.1 | 99% | 0.99 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | -46.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 179 | L | 57.2 | Low | 79.8 | Confident | 142 Ų | 142 | 66 Ų | 66 | 74% | 0.743 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | -39.6 | -163.9 | -167.1 | 62.5 | 0 | 0 | 0 | 115.7 | A177 | A177-L179 PolarHBondContact O-N 2.8Š|
| 180 | V | 58.1 | Low | 79.8 | Confident | 25 Ų | 25 | 60.9 Ų | 60.9 | 15% | 0.152 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 100.6 | -179.2 | -164.5 | 0 | 0 | 0 | 0 | 111.9 | T176 N182 V197 | T176-V180 PolarHBondContact N-O 3.06Å; V180-N182 VanDerWaalsContact C-N 3.33Å; V180-N182 PolarHBondContact O-N 3.37Å; V180-V197 HydrophobicContact CB-CB 4.42Å; V180-V197 HydrophobicContact CG1-CB 3.89Å; V180-V197 HydrophobicContact CG1-CG2 4.42Å |
| 181 | P | 58.9 | Low | 79.8 | Confident | 84 Ų | 84 | 61.5 Ų | 61.5 | 55% | 0.545 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | -17.5 | -175.8 | 29 | -35 | 0 | 0 | 0 | 114.4 | R202 | P181-R202 PolarHBondContact O-NH1 3.17Å |
| 182 | N | 80.4 | Confident | 79.8 | Confident | 57 Ų | 57 | 65.2 Ų | 65.2 | 31% | 0.305 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 63 | -172.4 | -64.6 | -7.3 | 0 | 0 | 0 | 112.3 | V180 S198 L199 R202 | V180-N182 VanDerWaalsContact C-N 3.33Å; V180-N182 PolarHBondContact O-N 3.37Å; N182-S198 PolarHBondContact O-N 3.46Å; N182-L199 WeakPolarHBondContact CB-O 3.36Å; N182-L199 PolarHBondContact ND2-O 3.47Å; N182-L199 VanDerWaalsContact ND2-O 3.1Å; N182-L199 PolarHBondContact O-N 3.19Å; N182-R202 HydrophobicContact CB-CB 4.32Å |
| 183 | G | 86.6 | Confident | 79.8 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 158.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | H174 F196 R202 | H174-G183 PolarHBondContact N-O 2.82Å; H174-G183 CarbonylContact O-C 3.58Å; H174-G183 WeakPolarHBondContact O-CA 3.17Å; H174-G183 PolarHBondContact O-N 2.8Å; G183-F196 CarbonylContact C-O 3.55Å; G183-F196 VanDerWaalsContact CA-O 3.26Å; G183-F196 WeakPolarHBondContact CA-O 3.26Å; G183-R202 WeakPolarHBondContact O-CD 3.34Å; G183-R202 WeakPolarHBondContact O-CG 3.28Å |
| 184 | L | 91.1 | Very high | 80 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 121.4 | 175.4 | -173.8 | 78.5 | 0 | 0 | 0 | 108.8 | V171 I186 F196 L199 V205 Y206 L209 | V171-L184 HydrophobicContact CG1-CD1 3.64Å; V171-L184 HydrophobicContact CG1-CD2 4.21Å; V171-L184 HydrophobicContact CG1-CG 4.06Å; L184-I186 HydrophobicContact CD2-CD1 4.3Å; L184-I186 HydrophobicContact CD2-CG1 4.25Å; L184-F196 PolarHBondContact N-O 3.39Å; L184-F196 PolarHBondContact O-N 3.38Å; L184-L199 HydrophobicContact CB-CD1 3.51Å; L184-L199 HydrophobicContact CD2-CD1 4.36Å; L184-V205 HydrophobicContact CD2-CG1 4.2Å; L184-Y206 HydrophobicContact CD1-CD2 3.85Å; L184-L209 HydrophobicContact CD2-CD1 3.37Å |
| 185 | A | 91.4 | Very high | 80.3 | Confident | 5 Ų | 5 | 59.8 Ų | 59.8 | 4% | 0.041 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 127.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | V171 K172 H174 Y194 V195 | V171-A185 CarbonylContact C-O 3.6Å; V171-A185 WeakPolarHBondContact CA-O 3.4Å; K172-A185 PolarHBondContact N-O 2.87Å; K172-A185 PolarHBondContact O-N 3.33Å; H174-A185 HydrophobicContact CB-CB 4.36Å; A185-Y194 CarbonylContact C-O 3.6Å; A185-Y194 WeakPolarHBondContact CA-O 3.42Å; A185-V195 HydrophobicContact CB-CG2 4.23Å |
| 186 | I | 92.5 | Very high | 81 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 119.6 | 172.1 | -55.8 | -170.6 | 0 | 0 | 0 | 107 | L148 V168 L170 V171 L184 Y194 F196 L209 | L148-I186 HydrophobicContact CD1-CD1 4.12Å; V168-I186 HydrophobicContact CB-CG2 4.41Å; V168-I186 HydrophobicContact CG1-CG2 3.64Å; V168-I186 HydrophobicContact CG2-CG2 3.98Å; L170-I186 WeakPolarHBondContact O-CA 3.36Å; V171-I186 HydrophobicContact CG2-CG1 4.39Å; V171-I186 HydrophobicContact CG2-CG2 4.47Å; L184-I186 HydrophobicContact CD2-CD1 4.3Å; L184-I186 HydrophobicContact CD2-CG1 4.25Å; I186-Y194 PolarHBondContact N-O 3.41Å; I186-Y194 PolarHBondContact O-N 3.34Å; I186-F196 HydrophobicContact CB-CE2 4.43Å; I186-F196 HydrophobicContact CD1-CD2 4.02Å; I186-F196 HydrophobicContact CD1-CE2 3.75Å; I186-F196 HydrophobicContact CG1-CD2 4.13Å; I186-F196 HydrophobicContact CG1-CE2 4.09Å; I186-L209 HydrophobicContact CD1-CD1 4Å |
| 187 | T | 92.1 | Very high | 82.2 | Confident | 30 Ų | 30 | 50 Ų | 50 | 18% | 0.184 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 130.3 | 173.5 | -52.2 | 0 | 0 | 0 | 0 | 109 | R169 L170 Q192 | R169-T187 PolarHBondContact N-O 3.21Å; L170-T187 PolarHBondContact N-O 3.03Å; L170-T187 VanDerWaalsContact N-O 3.12Å; L170-T187 PolarHBondContact O-N 2.85Å; T187-Q192 WeakPolarHBondContact CA-O 3.07Å |
| 188 | T | 92.8 | Very high | 83.7 | Confident | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.043 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 164 | -179.3 | -56.6 | 0 | 0 | 0 | 0 | 110.7 | T167 T190 N191 Q192 Y194 | T167-T188 CarbonylContact O-C 3.6Å; T167-T188 VanDerWaalsContact O-CA 3.27Å; T167-T188 WeakPolarHBondContact O-CA 3.47Å; T167-T188 WeakPolarHBondContact O-CG2 3.44Å; T188-T190 VanDerWaalsContact C-N 3.27Å; T188-T190 PolarHBondContact O-N 2.86Å; T188-N191 VanDerWaalsContact O-CA 3.3Å; T188-N191 WeakPolarHBondContact O-CA 3.45Å; T188-N191 PolarHBondContact O-N 3.08Å; T188-Q192 PolarHBondContact N-O 3.24Å; T188-Y194 WeakPolarHBondContact OG1-CE2 3.34Å |
| 189 | D | 90 | Very high | 85.1 | Confident | 82 Ų | 82 | 44.5 Ų | 44.5 | 44% | 0.439 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -38.7 | 179.8 | 62.6 | -11 | 0 | 0 | 0 | 113.5 | T167 N191 | T167-D189 WeakPolarHBondContact CG2-OD2 3.42Å; T167-D189 PolarHBondContact O-N 3.3Å; D189-N191 PolarHBondContact O-N 3.41Å |
| 190 | T | 90.1 | Very high | 86.3 | Confident | 59 Ų | 59 | 44.9 Ų | 44.9 | 36% | 0.362 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | 9.5 | 169.9 | 47.9 | 0 | 0 | 0 | 0 | 114.4 | T188 Q192 | T188-T190 VanDerWaalsContact C-N 3.27Å; T188-T190 PolarHBondContact O-N 2.86Å; T190-Q192 PolarHBondContact O-N 3.08Å |
| 191 | N | 86.8 | Confident | 87.5 | Confident | 105 Ų | 105 | 46 Ų | 46 | 56% | 0.561 | 25% | 0.254 | S | S | * | . | trans | 56.6 | 12.7 | -172.8 | -58.6 | -67.1 | 0 | 0 | 0 | 115.1 | R169 T188 D189 | R169-N191 PolarHBondContact NH1-OD1 2.76Å; T188-N191 VanDerWaalsContact O-CA 3.3Å; T188-N191 WeakPolarHBondContact O-CA 3.45Å; T188-N191 PolarHBondContact O-N 3.08Å; D189-N191 PolarHBondContact O-N 3.41Å | ||
| 192 | Q | 90.4 | Very high | 88.9 | Confident | 91 Ų | 91 | 43.8 Ų | 43.8 | 43% | 0.425 | 23% | 0.234 | S | C | . | . | trans | -67.8 | 132.4 | 171.5 | -64.4 | -174.1 | 2.7 | 0 | 0 | 110.2 | T187 T188 T190 Y194 | T187-Q192 WeakPolarHBondContact CA-O 3.07Å; T188-Q192 PolarHBondContact N-O 3.24Å; T190-Q192 PolarHBondContact O-N 3.08Å; Q192-Y194 HydrophobicContact CB-CE2 3.97Å; Q192-Y194 PolarHBondContact OE1-OH 3.1Å | ||
| 193 | K | 90.8 | Very high | 89.3 | Confident | 124 Ų | 124 | 43.8 Ų | 43.8 | 54% | 0.539 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 112.3 | -176.4 | -176.6 | -170.7 | 174.8 | -166.3 | 0 | 110.4 | V195 | K193-V195 HydrophobicContact CD-CG2 4.2Å; K193-V195 HydrophobicContact CG-CG2 4.08Å |
| 194 | Y | 91.9 | Very high | 89.3 | Confident | 28 Ų | 28 | 46.1 Ų | 46.1 | 11% | 0.11 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 115.7 | 175 | -63.2 | -88 | 0 | 0 | 0 | 109.7 | L131 V161 I163 A185 I186 T188 Q192 | L131-Y194 HydrophobicContact CD1-CD1 4.21Å; L131-Y194 HydrophobicContact CD2-CD1 4.37Å; V161-Y194 HydrophobicContact CG1-CD1 4.48Å; V161-Y194 HydrophobicContact CG1-CE1 3.86Å; I163-Y194 HydrophobicContact CD1-CD1 4.05Å; I163-Y194 HydrophobicContact CD1-CD2 3.64Å; I163-Y194 HydrophobicContact CD1-CE1 4.22Å; I163-Y194 HydrophobicContact CD1-CE2 3.82Å; I163-Y194 HydrophobicContact CD1-CG 3.75Å; I163-Y194 HydrophobicContact CG1-CE2 4.39Å; A185-Y194 CarbonylContact C-O 3.6Å; A185-Y194 WeakPolarHBondContact CA-O 3.42Å; I186-Y194 PolarHBondContact N-O 3.41Å; I186-Y194 PolarHBondContact O-N 3.34Å; T188-Y194 WeakPolarHBondContact OG1-CE2 3.34Å; Q192-Y194 HydrophobicContact CB-CE2 3.97Å; Q192-Y194 PolarHBondContact OE1-OH 3.1Å |
| 195 | V | 91.6 | Very high | 89.2 | Confident | 11 Ų | 11 | 46.1 Ų | 46.1 | 7% | 0.067 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 102.8 | 179.2 | -175.8 | 0 | 0 | 0 | 0 | 109.5 | L132 A185 K193 V197 | L132-V195 HydrophobicContact CB-CB 4.19Å; L132-V195 HydrophobicContact CB-CG1 4.47Å; L132-V195 WeakPolarHBondContact CB-O 3.43Å; L132-V195 HydrophobicContact CD2-CB 4.34Å; L132-V195 HydrophobicContact CD2-CG1 4.2Å; L132-V195 PolarHBondContact N-O 3.42Å; A185-V195 HydrophobicContact CB-CG2 4.23Å; K193-V195 HydrophobicContact CD-CG2 4.2Å; K193-V195 HydrophobicContact CG-CG2 4.08Å; V195-V197 HydrophobicContact CG1-CG1 3.91Å |
| 196 | F | 92.1 | Very high | 89.2 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.009 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 135 | 171.4 | -60.4 | -85.8 | 0 | 0 | 0 | 109.3 | A130 L131 L141 F150 G183 L184 I186 L199 | A130-F196 CarbonylContact O-C 3.48Å; A130-F196 WeakPolarHBondContact O-CA 3.39Å; L131-F196 HydrophobicContact CB-CD1 4.29Å; L131-F196 HydrophobicContact CB-CE1 4.25Å; L131-F196 HydrophobicContact CD1-CD1 4.05Å; L131-F196 HydrophobicContact CD1-CE1 3.84Å; L131-F196 HydrophobicContact CD1-CE2 4.38Å; L131-F196 HydrophobicContact CD1-CG 4.43Å; L131-F196 HydrophobicContact CD1-CZ 4.02Å; L131-F196 HydrophobicContact CG-CE1 4.46Å; L141-F196 HydrophobicContact CD1-CE1 4.25Å; L141-F196 HydrophobicContact CD1-CZ 4.34Å; F150-F196 HydrophobicContact CB-CE1 4.01Å; F150-F196 HydrophobicContact CD2-CD1 4.34Å; F150-F196 AromaticContact CD2-CE1 3.9Å; F150-F196 HydrophobicContact CD2-CE1 3.9Å; F150-F196 AromaticContact CG-CE1 3.98Å; F150-F196 HydrophobicContact CG-CE1 3.98Å; G183-F196 CarbonylContact C-O 3.55Å; G183-F196 VanDerWaalsContact CA-O 3.26Å; G183-F196 WeakPolarHBondContact CA-O 3.26Å; L184-F196 PolarHBondContact N-O 3.39Å; L184-F196 PolarHBondContact O-N 3.38Å; I186-F196 HydrophobicContact CB-CE2 4.43Å; I186-F196 HydrophobicContact CD1-CD2 4.02Å; I186-F196 HydrophobicContact CD1-CE2 3.75Å; I186-F196 HydrophobicContact CG1-CD2 4.13Å; I186-F196 HydrophobicContact CG1-CE2 4.09Å; F196-L199 HydrophobicContact CB-CD1 4.21Å |
| 197 | V | 89.9 | Confident | 89 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.024 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 172.3 | 179.9 | -52.1 | 0 | 0 | 0 | 0 | 110.4 | A130 L132 L136 V180 V195 L199 | A130-V197 HydrophobicContact CB-CG2 3.95Å; A130-V197 PolarHBondContact N-O 3.27Å; A130-V197 PolarHBondContact O-N 3.4Å; L132-V197 HydrophobicContact CB-CG1 4.41Å; L136-V197 HydrophobicContact CD2-CG2 3.47Å; L136-V197 VanDerWaalsContact CD2-CG2 3.47Å; V180-V197 HydrophobicContact CB-CB 4.42Å; V180-V197 HydrophobicContact CG1-CB 3.89Å; V180-V197 HydrophobicContact CG1-CG2 4.42Å; V195-V197 HydrophobicContact CG1-CG1 3.91Å; V197-L199 PolarHBondContact O-N 2.85Å |
| 198 | S | 86.3 | Confident | 88.8 | Confident | 76 Ų | 76 | 50.9 Ų | 50.9 | 53% | 0.531 | 27% | 0.272 | S | S | . | . | trans | 57.3 | 33.8 | -176.7 | -149.9 | 0 | 0 | 0 | 0 | 113.2 | N182 L200 | N182-S198 PolarHBondContact O-N 3.46Å; S198-L200 PolarHBondContact O-N 2.81Å | ||
| 199 | L | 86.3 | Confident | 88.7 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | trans | -75.4 | 117.6 | 173.8 | -71.7 | 161.4 | 0 | 0 | 0 | 109 | C129 N182 L184 F196 V197 S201 R202 V205 | C129-L199 HydrophobicContact CB-CD2 3.52Å; C129-L199 HydrophobicContact CB-CG 4.05Å; N182-L199 WeakPolarHBondContact CB-O 3.36Å; N182-L199 PolarHBondContact ND2-O 3.47Å; N182-L199 VanDerWaalsContact ND2-O 3.1Å; N182-L199 PolarHBondContact O-N 3.19Å; L184-L199 HydrophobicContact CB-CD1 3.51Å; L184-L199 HydrophobicContact CD2-CD1 4.36Å; F196-L199 HydrophobicContact CB-CD1 4.21Å; V197-L199 PolarHBondContact O-N 2.85Å; L199-S201 PolarHBondContact O-N 2.76Å; L199-R202 HydrophobicContact CB-CB 4.39Å; L199-V205 HydrophobicContact CD2-CG1 4.44Å; L199-V205 HydrophobicContact CD2-CG2 4.27Å | ||
| 200 | L | 82.9 | Confident | 88.5 | Confident | 150 Ų | 150 | 52.3 Ų | 52.3 | 79% | 0.785 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -37.3 | 177.8 | -73.9 | 163.6 | 0 | 0 | 0 | 112.3 | S198 | S198-L200 PolarHBondContact O-N 2.81Š|
| 201 | S | 83.2 | Confident | 88.4 | Confident | 50 Ų | 50 | 54.5 Ų | 54.5 | 35% | 0.35 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.4 | 51.4 | -172.3 | 62.9 | 0 | 0 | 0 | 0 | 112.5 | L199 D203 S204 V205 | L199-S201 PolarHBondContact O-N 2.76Å; S201-D203 PolarHBondContact O-N 3.33Å; S201-S204 WeakPolarHBondContact CB-OG 3.5Å; S201-S204 PolarHBondContact O-N 3.11Å; S201-S204 PolarHBondContact O-OG 3.17Å; S201-S204 PolarHBondContact OG-OG 3.17Å; S201-V205 PolarHBondContact O-N 3.15Å; S201-V205 VanDerWaalsContact O-N 3.14Å |
| 202 | R | 88.2 | Confident | 88.4 | Confident | 36 Ų | 36 | 49.9 Ų | 49.9 | 14% | 0.136 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -35.9 | -51.4 | -176.4 | -179.6 | -161.2 | 64.2 | -136.6 | -8.8 | 113.9 | P181 N182 G183 L199 V205 Y206 | P181-R202 PolarHBondContact O-NH1 3.17Å; N182-R202 HydrophobicContact CB-CB 4.32Å; G183-R202 WeakPolarHBondContact O-CD 3.34Å; G183-R202 WeakPolarHBondContact O-CG 3.28Å; L199-R202 HydrophobicContact CB-CB 4.39Å; R202-V205 PolarHBondContact O-N 3.16Å; R202-Y206 WeakPolarHBondContact O-CB 3.18Å; R202-Y206 PolarHBondContact O-N 3.3Å |
| 203 | D | 88.1 | Confident | 88.1 | Confident | 57 Ų | 57 | 45.5 Ų | 45.5 | 31% | 0.305 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -68.6 | -42.1 | -173.8 | -59.8 | -60 | 0 | 0 | 0 | 112 | K173 S201 V205 Y206 D207 | K173-D203 WeakPolarHBondContact CD-OD1 3.39Å; K173-D203 VanDerWaalsContact CE-OD1 3.3Å; K173-D203 WeakPolarHBondContact CE-OD1 3.48Å; K173-D203 IonicContact NZ-OD1 3.22Å; K173-D203 PolarHBondContact NZ-OD1 2.91Å; S201-D203 PolarHBondContact O-N 3.33Å; D203-V205 VanDerWaalsContact C-N 3.27Å; D203-V205 PolarHBondContact O-N 2.77Å; D203-Y206 WeakPolarHBondContact O-CB 3.45Å; D203-Y206 PolarHBondContact O-N 3.38Å; D203-Y206 VanDerWaalsContact O-N 3.15Å; D203-D207 PolarHBondContact O-N 2.79Å |
| 204 | S | 87.9 | Confident | 87.5 | Confident | 50 Ų | 50 | 40.9 Ų | 40.9 | 35% | 0.35 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.3 | -35.2 | 172 | 72.7 | 0 | 0 | 0 | 0 | 113.3 | S201 V208 | S201-S204 WeakPolarHBondContact CB-OG 3.5Å; S201-S204 PolarHBondContact O-N 3.11Å; S201-S204 PolarHBondContact O-OG 3.17Å; S201-S204 PolarHBondContact OG-OG 3.17Å; S204-V208 WeakPolarHBondContact O-CB 3.29Å; S204-V208 VanDerWaalsContact O-CG2 3.26Å; S204-V208 WeakPolarHBondContact O-CG2 3.47Å; S204-V208 PolarHBondContact O-N 2.92Å |
| 205 | V | 89.1 | Confident | 86.9 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.8 | -41.3 | 176.9 | -179.5 | 0 | 0 | 0 | 0 | 110.2 | Y127 I143 L184 L199 S201 R202 D203 V208 L209 | Y127-V205 HydrophobicContact CD1-CG2 3.48Å; Y127-V205 VanDerWaalsContact CD1-CG2 3.48Å; Y127-V205 HydrophobicContact CD2-CG1 4.45Å; Y127-V205 HydrophobicContact CD2-CG2 4.04Å; Y127-V205 HydrophobicContact CE1-CG2 3.51Å; Y127-V205 HydrophobicContact CE2-CG2 4.07Å; Y127-V205 HydrophobicContact CG-CG2 3.76Å; I143-V205 HydrophobicContact CD1-CG1 4.4Å; L184-V205 HydrophobicContact CD2-CG1 4.2Å; L199-V205 HydrophobicContact CD2-CG1 4.44Å; L199-V205 HydrophobicContact CD2-CG2 4.27Å; S201-V205 PolarHBondContact O-N 3.15Å; S201-V205 VanDerWaalsContact O-N 3.14Å; R202-V205 PolarHBondContact O-N 3.16Å; D203-V205 VanDerWaalsContact C-N 3.27Å; D203-V205 PolarHBondContact O-N 2.77Å; V205-V208 PolarHBondContact O-N 3.32Å; V205-L209 HydrophobicContact CG1-CD1 3.9Å; V205-L209 HydrophobicContact CG1-CG 4.47Å; V205-L209 WeakPolarHBondContact O-CB 3.13Å; V205-L209 VanDerWaalsContact O-CG 3.26Å; V205-L209 WeakPolarHBondContact O-CG 3.3Å; V205-L209 PolarHBondContact O-N 3.43Å |
| 206 | Y | 89.8 | Confident | 85.8 | Confident | 43 Ų | 43 | 43.8 Ų | 43.8 | 17% | 0.169 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.9 | -44.7 | 173.2 | 177.7 | -91.3 | 0 | 0 | 0 | 111.7 | V171 K173 L184 R202 D203 L209 R210 | V171-Y206 HydrophobicContact CB-CE2 4.45Å; V171-Y206 HydrophobicContact CG1-CD2 3.79Å; V171-Y206 HydrophobicContact CG1-CE2 4.01Å; V171-Y206 WeakPolarHBondContact O-CE2 3.25Å; K173-Y206 HydrophobicContact CD-CD2 4.42Å; K173-Y206 HydrophobicContact CD-CG 4.34Å; K173-Y206 HydrophobicContact CG-CD2 3.73Å; K173-Y206 HydrophobicContact CG-CE2 4.08Å; K173-Y206 HydrophobicContact CG-CG 4.09Å; L184-Y206 HydrophobicContact CD1-CD2 3.85Å; R202-Y206 WeakPolarHBondContact O-CB 3.18Å; R202-Y206 PolarHBondContact O-N 3.3Å; D203-Y206 WeakPolarHBondContact O-CB 3.45Å; D203-Y206 PolarHBondContact O-N 3.38Å; D203-Y206 VanDerWaalsContact O-N 3.15Å; Y206-L209 PolarHBondContact O-N 2.82Å; Y206-R210 WeakPolarHBondContact O-CB 3.44Å; Y206-R210 PolarHBondContact O-N 2.98Å |
| 207 | D | 89.2 | Confident | 84.4 | Confident | 78 Ų | 78 | 47.7 Ų | 47.7 | 42% | 0.417 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -69.5 | -39.1 | -179 | -60.5 | -28.6 | 0 | 0 | 0 | 111.9 | D203 R210 R211 | D203-D207 PolarHBondContact O-N 2.79Å; D207-R210 PolarHBondContact O-N 2.96Å; D207-R211 WeakPolarHBondContact O-CB 3.3Å; D207-R211 PolarHBondContact O-N 3.45Å |
| 208 | V | 88.6 | Confident | 82.6 | Confident | 15 Ų | 15 | 51.1 Ų | 51.1 | 9% | 0.091 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 172.7 | 166.9 | 0 | 0 | 0 | 0 | 111.3 | I143 S204 V205 R211 I212 | I143-V208 HydrophobicContact CG2-CG1 4.41Å; S204-V208 WeakPolarHBondContact O-CB 3.29Å; S204-V208 VanDerWaalsContact O-CG2 3.26Å; S204-V208 WeakPolarHBondContact O-CG2 3.47Å; S204-V208 PolarHBondContact O-N 2.92Å; V205-V208 PolarHBondContact O-N 3.32Å; V208-R211 PolarHBondContact O-N 2.84Å; V208-I212 HydrophobicContact CG1-CD1 3.72Å; V208-I212 WeakPolarHBondContact O-CG1 3.36Å; V208-I212 PolarHBondContact O-N 3.32Å |
| 209 | L | 89.3 | Confident | 80.7 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65 | -41.2 | 176 | -76.2 | 167.7 | 0 | 0 | 0 | 112 | I143 L148 V171 L184 I186 V205 Y206 R211 I212 C213 | I143-L209 HydrophobicContact CD1-CD2 3.98Å; I143-L209 HydrophobicContact CD1-CG 4.15Å; L148-L209 HydrophobicContact CD1-CD2 3.55Å; L148-L209 HydrophobicContact CD2-CD2 3.48Å; L148-L209 VanDerWaalsContact CD2-CD2 3.48Å; L148-L209 HydrophobicContact CG-CD2 4.17Å; V171-L209 HydrophobicContact CG1-CD1 4.47Å; L184-L209 HydrophobicContact CD2-CD1 3.37Å; I186-L209 HydrophobicContact CD1-CD1 4Å; V205-L209 HydrophobicContact CG1-CD1 3.9Å; V205-L209 HydrophobicContact CG1-CG 4.47Å; V205-L209 WeakPolarHBondContact O-CB 3.13Å; V205-L209 VanDerWaalsContact O-CG 3.26Å; V205-L209 WeakPolarHBondContact O-CG 3.3Å; V205-L209 PolarHBondContact O-N 3.43Å; Y206-L209 PolarHBondContact O-N 2.82Å; L209-R211 VanDerWaalsContact C-N 3.3Å; L209-R211 PolarHBondContact O-N 2.94Å; L209-I212 PolarHBondContact O-N 2.91Å; L209-C213 WeakPolarHBondContact O-CB 3.26Å; L209-C213 PolarHBondContact O-N 2.87Å; L209-C213 PolarHBondContact O-SG 3.19Å |
| 210 | R | 86.9 | Confident | 78.9 | Confident | 119 Ų | 119 | 56 Ų | 56 | 45% | 0.449 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.7 | -38.8 | 176.1 | -172.3 | 177 | -177.8 | -165.5 | 1.3 | 111.4 | Y206 D207 Q217 | Y206-R210 WeakPolarHBondContact O-CB 3.44Å; Y206-R210 PolarHBondContact O-N 2.98Å; D207-R210 PolarHBondContact O-N 2.96Å; R210-Q217 HydrophobicContact CG-CG 4.19Å; R210-Q217 WeakPolarHBondContact O-CG 3.28Å; R210-Q217 PolarHBondContact O-NE2 3.22Å |
| 211 | R | 86.9 | Confident | 76.9 | Confident | 105 Ų | 105 | 58 Ų | 58 | 40% | 0.396 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.6 | -50.2 | 174.6 | -177 | 178.3 | -59.9 | 139.9 | 7.3 | 111.6 | L89 D207 V208 L209 Q217 | L89-R211 HydrophobicContact CD2-CG 3.62Å; D207-R211 WeakPolarHBondContact O-CB 3.3Å; D207-R211 PolarHBondContact O-N 3.45Å; V208-R211 PolarHBondContact O-N 2.84Å; L209-R211 VanDerWaalsContact C-N 3.3Å; L209-R211 PolarHBondContact O-N 2.94Å; R211-Q217 PolarHBondContact O-NE2 3.21Å |
| 212 | I | 86.6 | Confident | 74.6 | Confident | 7 Ų | 7 | 60.1 Ų | 60.1 | 4% | 0.036 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.2 | -42 | -176.8 | -68.9 | 169.1 | 0 | 0 | 0 | 111.8 | M124 I143 R145 V165 V208 L209 T214 | M124-I212 HydrophobicContact CE-CD1 3.89Å; M124-I212 HydrophobicContact CE-CG1 4.12Å; M124-I212 HydrophobicContact SD-CD1 3.83Å; M124-I212 HydrophobicContact SD-CG1 4.27Å; I143-I212 HydrophobicContact CG2-CD1 3.36Å; R145-I212 WeakPolarHBondContact O-CG2 3.5Å; V165-I212 HydrophobicContact CG1-CG2 4.16Å; V165-I212 HydrophobicContact CG2-CG2 3.88Å; V208-I212 HydrophobicContact CG1-CD1 3.72Å; V208-I212 WeakPolarHBondContact O-CG1 3.36Å; V208-I212 PolarHBondContact O-N 3.32Å; L209-I212 PolarHBondContact O-N 2.91Å; I212-T214 VanDerWaalsContact C-N 3.31Å; I212-T214 PolarHBondContact O-N 2.96Å |
| 213 | C | 84.2 | Confident | 72.3 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | trans | -83 | 68.3 | 177.6 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | V165 L209 H215 L216 | V165-C213 HydrophobicContact CG1-CB 4.35Å; L209-C213 WeakPolarHBondContact O-CB 3.26Å; L209-C213 PolarHBondContact O-N 2.87Å; L209-C213 PolarHBondContact O-SG 3.19Å; C213-H215 PolarHBondContact O-N 2.86Å; C213-L216 HydrophobicContact CB-CB 4.27Å; C213-L216 HydrophobicContact CB-CD1 3.43Å; C213-L216 VanDerWaalsContact CB-CD1 3.43Å; C213-L216 HydrophobicContact CB-CG 3.69Å; C213-L216 WeakPolarHBondContact O-CB 3.29Å; C213-L216 PolarHBondContact O-N 2.89Å | ||
| 214 | T | 79.8 | Confident | 69.8 | Low | 26 Ų | 26 | 66.9 Ų | 66.9 | 16% | 0.16 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -54.6 | -37.2 | -177.1 | 57 | 0 | 0 | 0 | 0 | 113.1 | L85 L89 I212 L216 Q217 V218 | L85-T214 PolarHBondContact O-OG1 3.13Å; L89-T214 HydrophobicContact CD1-CG2 3.87Å; L89-T214 HydrophobicContact CG-CG2 3.84Å; I212-T214 VanDerWaalsContact C-N 3.31Å; I212-T214 PolarHBondContact O-N 2.96Å; T214-L216 VanDerWaalsContact C-N 3.26Å; T214-L216 PolarHBondContact O-N 2.89Å; T214-Q217 WeakPolarHBondContact O-CA 3.41Å; T214-Q217 VanDerWaalsContact O-CB 3.26Å; T214-Q217 WeakPolarHBondContact O-CB 3.17Å; T214-Q217 PolarHBondContact O-N 3.07Å; T214-V218 PolarHBondContact O-N 2.82Å |
| 215 | H | 77.4 | Confident | 67.5 | Low | 66 Ų | 66 | 72.4 Ų | 72.4 | 31% | 0.306 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.6 | -29.5 | 177.3 | 66.4 | -59.6 | 0 | 0 | 0 | 114 | V165 V168 C213 Q217 V218 N219 | V165-H215 PolarHBondContact O-CE1 3.28Å; V165-H215 PolarHBondContact O-NE2 2.89Å; V168-H215 PolarHBondContact O-NE2 3.5Å; C213-H215 PolarHBondContact O-N 2.86Å; H215-Q217 VanDerWaalsContact C-N 3.25Å; H215-Q217 PolarHBondContact O-N 3.38Å; H215-V218 PolarHBondContact O-N 2.95Å; H215-N219 PolarHBondContact O-N 3.22Å |
| 216 | L | 69.8 | Low | 65 | Low | 34 Ų | 34 | 81.1 Ų | 81.1 | 18% | 0.178 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -69.2 | -25.1 | 172.9 | -61.1 | -179 | 0 | 0 | 0 | 112.5 | V168 R169 V171 C213 T214 G220 | V168-L216 HydrophobicContact CG1-CD1 3.93Å; V168-L216 WeakPolarHBondContact O-CD2 3.31Å; R169-L216 WeakPolarHBondContact O-CD2 3.31Å; V171-L216 HydrophobicContact CB-CD1 4.44Å; V171-L216 HydrophobicContact CG2-CD1 3.73Å; C213-L216 HydrophobicContact CB-CB 4.27Å; C213-L216 HydrophobicContact CB-CD1 3.43Å; C213-L216 VanDerWaalsContact CB-CD1 3.43Å; C213-L216 HydrophobicContact CB-CG 3.69Å; C213-L216 WeakPolarHBondContact O-CB 3.29Å; C213-L216 PolarHBondContact O-N 2.89Å; T214-L216 VanDerWaalsContact C-N 3.26Å; T214-L216 PolarHBondContact O-N 2.89Å; L216-G220 PolarHBondContact O-N 3.36Å |
| 217 | Q | 61.7 | Low | 62.3 | Low | 84 Ų | 84 | 86 Ų | 86 | 39% | 0.393 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -76.3 | -40.2 | 177.8 | -51.3 | -176.5 | 51.3 | 0 | 0 | 110.6 | R210 R211 T214 H215 G220 | R210-Q217 HydrophobicContact CG-CG 4.19Å; R210-Q217 WeakPolarHBondContact O-CG 3.28Å; R210-Q217 PolarHBondContact O-NE2 3.22Å; R211-Q217 PolarHBondContact O-NE2 3.21Å; T214-Q217 WeakPolarHBondContact O-CA 3.41Å; T214-Q217 VanDerWaalsContact O-CB 3.26Å; T214-Q217 WeakPolarHBondContact O-CB 3.17Å; T214-Q217 PolarHBondContact O-N 3.07Å; H215-Q217 VanDerWaalsContact C-N 3.25Å; H215-Q217 PolarHBondContact O-N 3.38Å; Q217-G220 WeakPolarHBondContact O-CA 3.45Å; Q217-G220 PolarHBondContact O-N 3.07Å |
| 218 | V | 52.4 | Low | 59.6 | Low | 76 Ų | 76 | 91.8 Ų | 91.8 | 46% | 0.461 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.3 | -43.1 | 179.5 | -171 | 0 | 0 | 0 | 0 | 111.5 | L85 T214 H215 G220 | L85-V218 HydrophobicContact CD1-CG2 4.34Å; T214-V218 PolarHBondContact O-N 2.82Å; H215-V218 PolarHBondContact O-N 2.95Å; V218-G220 PolarHBondContact O-N 2.6Å; V218-G220 VanDerWaalsContact O-N 3.16Å |
| 219 | N | 47.8 | Very low | 57.2 | Low | 154 Ų | 154 | 98.7 Ų | 98.7 | 82% | 0.824 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | 5.4 | 173.2 | -150.3 | 101.7 | 0 | 0 | 0 | 112.9 | H215 | H215-N219 PolarHBondContact O-N 3.22Š|
| 220 | G | 48.3 | Very low | 54.3 | Low | 27 Ų | 27 | 106.9 Ų | 106.9 | 28% | 0.278 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | 17.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L216 Q217 V218 S222 | L216-G220 PolarHBondContact O-N 3.36Å; Q217-G220 WeakPolarHBondContact O-CA 3.45Å; Q217-G220 PolarHBondContact O-N 3.07Å; V218-G220 PolarHBondContact O-N 2.6Å; V218-G220 VanDerWaalsContact O-N 3.16Å; G220-S222 PolarHBondContact O-N 3.39Å |
| 221 | K | 40.3 | Very low | 51.9 | Low | 190 Ų | 190 | 109.3 Ų | 109.3 | 83% | 0.826 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -70.1 | 43.3 | 171.7 | -69.4 | -175.6 | 179.9 | 178.6 | 0 | 113.6 | ||
| 222 | S | 34.9 | Very low | 49.3 | Very low | 96 Ų | 96 | 110.2 Ų | 110.2 | 67% | 0.671 | 57% | 0.567 | S | S | * | * | trans | -170.1 | 85.5 | 147.4 | -169.6 | 0 | 0 | 0 | 0 | 108.9 | G220 | G220-S222 PolarHBondContact O-N 3.39Š| ||
| 223 | L | 40.5 | Very low | 46.4 | Very low | 149 Ų | 149 | 116 Ų | 116 | 78% | 0.78 | 60% | 0.603 | S | S | * | * | trans | -128.1 | 68.6 | 150.8 | -74.9 | 179.8 | 0 | 0 | 0 | 106.8 | L225 | L223-L225 PolarHBondContact O-N 3.46Š| ||
| 224 | S | 33.9 | Very low | 44 | Very low | 85 Ų | 85 | 124.1 Ų | 124.1 | 59% | 0.594 | 65% | 0.645 | S | S | * | * | trans | -57.5 | 133.7 | 161.7 | 48.2 | 0 | 0 | 0 | 0 | 108.6 | K226 | S224-K226 VanDerWaalsContact C-N 3.27Å; S224-K226 PolarHBondContact O-N 3.23Å | ||
| 225 | L | 40.6 | Very low | 41.5 | Very low | 166 Ų | 166 | 128 Ų | 128 | 87% | 0.869 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -68 | 92.2 | 164.6 | -175.1 | 164.1 | 0 | 0 | 0 | 107.1 | L223 | L223-L225 PolarHBondContact O-N 3.46Š|
| 226 | K | 36.1 | Very low | 39.4 | Very low | 184 Ų | 184 | 133.1 Ų | 133.1 | 80% | 0.8 | 70% | 0.703 | S | S | * | * | trans | 164 | 130 | 168.3 | -92 | 159.1 | -174.9 | -168.1 | 0 | 104.2 | S224 | S224-K226 VanDerWaalsContact C-N 3.27Å; S224-K226 PolarHBondContact O-N 3.23Å | ||
| 227 | Q | 33.4 | Very low | 37.6 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | -143.1 | 116.4 | 50.6 | -166.7 | 158 | -3.7 | 0 | 0 | 110.9 | E230 | Q227-E230 PolarHBondContact NE2-OE2 3.13Š| |||
| 228 | F | 32.4 | Very low | 36.2 | Very low | 200 Ų | 200 | 142 Ų | 142 | 88% | 0.877 | 75% | 0.748 | S | S | * | * | trans | -80.4 | 136.3 | 149.1 | -115.9 | -105 | 0 | 0 | 0 | 105.8 | ||||
| 229 | M | 38.7 | Very low | 35.1 | Very low | 159 Ų | 159 | 147.1 Ų | 147.1 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | 61.6 | 120.3 | 169.1 | -55 | 179.4 | 68 | 0 | 0 | 116.8 | ||||
| 230 | E | 27 | Very low | 34.7 | Very low | 173 Ų | 173 | 145.5 Ų | 145.5 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | -167.6 | 149.9 | 124.4 | -107.1 | 165.5 | 132.9 | 0 | 0 | 109.8 | Q227 | Q227-E230 PolarHBondContact NE2-OE2 3.13Š| |||
| 231 | E | 37.7 | Very low | 34.2 | Very low | 170 Ų | 170 | 148.5 Ų | 148.5 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | -83.1 | 156.7 | -177.2 | -63.2 | -176.6 | 123.7 | 0 | 0 | 112.3 | V233 | E231-V233 PolarHBondContact O-N 2.82Š| ||
| 232 | P | 32.3 | Very low | 34.6 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | trans | -81.9 | 89.6 | 162.6 | 33.7 | -30.1 | 0 | 0 | 0 | 110.1 | L234 | P232-L234 PolarHBondContact O-N 2.96Š| ||
| 233 | V | 26.3 | Very low | 34.4 | Very low | 128 Ų | 128 | 146.8 Ų | 146.8 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 123.1 | 158 | -80.8 | 0 | 0 | 0 | 0 | 109.1 | E231 | E231-V233 PolarHBondContact O-N 2.82Š|
| 234 | L | 32 | Very low | 34 | Very low | 171 Ų | 171 | 149.1 Ų | 149.1 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 120.8 | 168.8 | -74.8 | 177.8 | 0 | 0 | 0 | 109.2 | P232 | P232-L234 PolarHBondContact O-N 2.96Š|
| 235 | S | 27.6 | Very low | 33.6 | Very low | 109 Ų | 109 | 154.8 Ų | 154.8 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 137.7 | 174.9 | 52 | 0 | 0 | 0 | 0 | 111.8 | ||
| 236 | L | 33.1 | Very low | 34.2 | Very low | 173 Ų | 173 | 152 Ų | 152 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | trans | -145 | 133.5 | 148 | -151 | 89.1 | 0 | 0 | 0 | 108.2 | ||||
| 237 | D | 33.7 | Very low | 33.9 | Very low | 144 Ų | 144 | 149.3 Ų | 149.3 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | -67.2 | 154.7 | -176.5 | -68.9 | -91.7 | 0 | 0 | 0 | 114.2 | ||||
| 238 | E | 31.6 | Very low | 33.8 | Very low | 161 Ų | 161 | 147.9 Ų | 147.9 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | 162 | 116.4 | 100.4 | -167 | 143.6 | 109.2 | 0 | 0 | 115 | |||||
| 239 | F | 30.2 | Very low | 33.8 | Very low | 183 Ų | 183 | 145.4 Ų | 145.4 | 80% | 0.803 | 79% | 0.791 | S | S | * | * | trans | 63.3 | 168.1 | 163.3 | -70.8 | -59 | 0 | 0 | 0 | 120.3 | ||||
| 240 | P | 38.5 | Very low | 33.3 | Very low | 119 Ų | 119 | 146.6 Ų | 146.6 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | -123.4 | 175.8 | -93.5 | 29.3 | -5.7 | 0 | 0 | 0 | 116.6 | |||||
| 241 | A | 37.1 | Very low | 33.5 | Very low | 91 Ų | 91 | 147.8 Ų | 147.8 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | -63.6 | 172.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 242 | P | 50.2 | Low | 33.9 | Very low | 104 Ų | 104 | 144.7 Ų | 144.7 | 68% | 0.675 | 79% | 0.792 | S | S | * | * | cis | -148.8 | -171.3 | 25.6 | 45.1 | -23.4 | 0 | 0 | 0 | 119.5 | ||||
| 243 | D | 30.6 | Very low | 33.6 | Very low | 146 Ų | 146 | 143.8 Ų | 143.8 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | trans | 69.3 | 109.1 | 154.5 | -57.9 | -30.8 | 0 | 0 | 0 | 122.7 | ||||
| 244 | E | 30.9 | Very low | 33.7 | Very low | 198 Ų | 198 | 143.5 Ų | 143.5 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | 175.2 | 152.9 | 108.7 | -92.1 | -167.7 | 119.8 | 0 | 0 | 112.8 | |||||
| 245 | F | 25.8 | Very low | 33.9 | Very low | 203 Ų | 203 | 143.3 Ų | 143.3 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | -112.6 | -178.8 | 178.6 | -81.5 | -95.2 | 0 | 0 | 0 | 109.8 | ||||
| 246 | P | 52.7 | Low | 33.9 | Very low | 107 Ų | 107 | 146.8 Ų | 146.8 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | cis | -128.9 | -143.8 | -49.1 | 33.9 | -13.6 | 0 | 0 | 0 | 111.3 | ||||
| 247 | V | 30 | Very low | 33.6 | Very low | 129 Ų | 129 | 151.2 Ų | 151.2 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | trans | 87.5 | 137.2 | 162 | -176.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 248 | V | 32.6 | Very low | 33.4 | Very low | 115 Ų | 115 | 153.4 Ų | 153.4 | 70% | 0.697 | 79% | 0.79 | S | S | * | * | cis | -167 | 161.1 | -21.5 | 124 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 249 | D | 30.9 | Very low | 33.4 | Very low | 147 Ų | 147 | 157 Ų | 157 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | 43.7 | 135.5 | 163.4 | -85.9 | -65 | 0 | 0 | 0 | 123 | ||||
| 250 | E | 29.2 | Very low | 33.4 | Very low | 185 Ų | 185 | 156.6 Ų | 156.6 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | 172.4 | 134.6 | 100.1 | -165.9 | 166.1 | 165.4 | 0 | 0 | 111.9 | |||||
| 251 | F | 31.2 | Very low | 33.4 | Very low | 198 Ų | 198 | 157 Ų | 157 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | trans | -138.6 | 161.7 | 172.2 | -99.1 | -73.4 | 0 | 0 | 0 | 107.4 | ||||
| 252 | P | 45.1 | Very low | 33.1 | Very low | 105 Ų | 105 | 158.1 Ų | 158.1 | 68% | 0.682 | 80% | 0.799 | S | S | * | * | cis | -133.9 | -175.2 | -10.2 | 37.6 | -19.2 | 0 | 0 | 0 | 113.8 | ||||
| 253 | S | 27.1 | Very low | 32.2 | Very low | 104 Ų | 104 | 159.7 Ų | 159.7 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | 141.3 | 131.9 | 121.6 | 72.1 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 254 | V | 27.2 | Very low | 32 | Very low | 121 Ų | 121 | 159.7 Ų | 159.7 | 73% | 0.733 | 81% | 0.812 | S | S | * | * | trans | 73.2 | 100.3 | 131 | 172.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 255 | L | 35.9 | Very low | 31.8 | Very low | 168 Ų | 168 | 154.7 Ų | 154.7 | 88% | 0.88 | 80% | 0.799 | S | S | * | * | trans | 78 | 153.8 | 137.5 | -61.3 | 175.2 | 0 | 0 | 0 | 122.4 | ||||
| 256 | K | 28.9 | Very low | 31.9 | Very low | 182 Ų | 182 | 151.4 Ų | 151.4 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | 106.7 | 65.7 | 147.9 | -158 | -179.3 | 179.2 | 179.9 | 0 | 118.7 | R258 | K256-R258 HydrophobicContact CG-CB 4.32Å; K256-R258 PolarHBondContact O-N 3.12Å | ||
| 257 | W | 26.8 | Very low | 30.7 | Very low | 265 Ų | 265 | 150.9 Ų | 150.9 | 100% | 1.004 | 79% | 0.794 | S | S | * | * | trans | -70.5 | 111.1 | 159.6 | -71.2 | 105.2 | 0 | 0 | 0 | 111.6 | ||||
| 258 | R | 29.8 | Very low | 30.6 | Very low | 191 Ų | 191 | 152.8 Ų | 152.8 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | trans | -155.6 | 74.9 | -174.7 | -128.8 | -74.9 | -146.2 | -89.6 | -2.2 | 114.1 | K256 | K256-R258 HydrophobicContact CG-CB 4.32Å; K256-R258 PolarHBondContact O-N 3.12Å | ||
| 259 | R | 30.8 | Very low | 30.5 | Very low | 236 Ų | 236 | 153.2 Ų | 153.2 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | trans | -164.8 | 123 | 154.1 | -133.4 | 164.4 | -76 | 175 | -4.4 | 107.5 | ||||
| 260 | K | 29.3 | Very low | 31 | Very low | 174 Ų | 174 | 153.4 Ų | 153.4 | 76% | 0.757 | 81% | 0.807 | S | S | * | * | 73.2 | 135 | 51.2 | -76.8 | -171.3 | 171.2 | -173 | 0 | 114.1 | |||||
| 261 | P | 40.3 | Very low | 31.4 | Very low | 128 Ų | 128 | 150.4 Ų | 150.4 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | trans | -87.4 | 172.9 | -169.1 | 38.3 | -38.6 | 0 | 0 | 0 | 112.9 | ||||
| 262 | S | 30.1 | Very low | 31.3 | Very low | 115 Ų | 115 | 147.7 Ų | 147.7 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -138.6 | 127.6 | 171.3 | 54.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 263 | V | 30.7 | Very low | 30.8 | Very low | 137 Ų | 137 | 150.5 Ų | 150.5 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | trans | -116.5 | 143.8 | 160.9 | 174.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 264 | V | 26.6 | Very low | 31.1 | Very low | 146 Ų | 146 | 153.6 Ų | 153.6 | 89% | 0.885 | 81% | 0.814 | S | S | * | * | trans | -177.4 | 164.5 | 147.3 | 141 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 265 | S | 27 | Very low | 31.1 | Very low | 93 Ų | 93 | 151 Ų | 151 | 65% | 0.65 | 81% | 0.812 | S | S | * | * | trans | -126.2 | 177.3 | -148.6 | -45.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 266 | V | 28.7 | Very low | 30.7 | Very low | 133 Ų | 133 | 148.5 Ų | 148.5 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | trans | 70.9 | 138.8 | 161.4 | -129.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 267 | S | 27 | Very low | 30.7 | Very low | 97 Ų | 97 | 145.1 Ų | 145.1 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | cis | -162.3 | 153.1 | 37.2 | -44.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 268 | L | 28.4 | Very low | 30.9 | Very low | 169 Ų | 169 | 138.7 Ų | 138.7 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | trans | 40.9 | 117.8 | 139.9 | -69 | 163.5 | 0 | 0 | 0 | 123.1 | ||||
| 269 | S | 30.2 | Very low | 30.9 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | -168.1 | 142.8 | 125.4 | 53 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 270 | L | 40.8 | Very low | 30.8 | Very low | 150 Ų | 150 | 128 Ų | 128 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | -101.2 | 167.4 | 173.8 | -91.3 | 170.8 | 0 | 0 | 0 | 111 | ||||
| 271 | P | 37.8 | Very low | 31 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | -133.9 | 144.8 | 128.5 | 36.5 | -26.7 | 0 | 0 | 0 | 114.5 | |||||
| 272 | D | 28.6 | Very low | 30.6 | Very low | 141 Ų | 141 | 126 Ų | 126 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | trans | -89.6 | 147.8 | 170.4 | -71.1 | -58.2 | 0 | 0 | 0 | 112.2 | ||||
| 273 | L | 34 | Very low | 30.5 | Very low | 163 Ų | 163 | 125.4 Ų | 125.4 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -153.6 | 112.8 | 145 | -83.7 | -169.7 | 0 | 0 | 0 | 112 | ||||
| 274 | L | 33.7 | Very low | 30.6 | Very low | 170 Ų | 170 | 123 Ų | 123 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | 29.7 | 136.7 | 141.6 | -49.3 | 175.2 | 0 | 0 | 0 | 120.3 | ||||
| 275 | G | 26.9 | Very low | 30.7 | Very low | 66 Ų | 66 | 123.8 Ų | 123.8 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | cis | 171.9 | -158.3 | 5.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 276 | S | 27.3 | Very low | 31.1 | Very low | 116 Ų | 116 | 125.4 Ų | 125.4 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | 74.5 | 79.9 | 173.6 | 79.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 277 | S | 30.8 | Very low | 31.7 | Very low | 110 Ų | 110 | 124.5 Ų | 124.5 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | 55 | 142 | 111.5 | -53.6 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 278 | T | 29.2 | Very low | 31.7 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | 85.5 | 105.8 | 144.1 | 49.5 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 279 | S | 30 | Very low | 31.6 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | 65.4 | 130.3 | 127.4 | 64.3 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 280 | G | 29.8 | Very low | 31.3 | Very low | 81 Ų | 81 | 130.2 Ų | 130.2 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | 168.2 | 111.7 | 156.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 281 | L | 34.3 | Very low | 30.6 | Very low | 189 Ų | 189 | 131.9 Ų | 131.9 | 99% | 0.99 | 81% | 0.81 | S | S | * | * | trans | -114.8 | 151.7 | 172.2 | -84.9 | 166.8 | 0 | 0 | 0 | 110.3 | ||||
| 282 | G | 30 | Very low | 31.4 | Very low | 71 Ų | 71 | 131.2 Ų | 131.2 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | trans | 135.8 | 107.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 283 | A | 29.8 | Very low | 31.6 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | cis | 95.7 | 116.6 | 41 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 284 | A | 31.8 | Very low | 31.3 | Very low | 88 Ų | 88 | 130 Ų | 130 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | 87.6 | 141.8 | 145.1 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 285 | D | 29.2 | Very low | 31 | Very low | 161 Ų | 161 | 130.3 Ų | 130.3 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | trans | 86.4 | 115.8 | 146.6 | -56.4 | -25 | 0 | 0 | 0 | 124.3 | ||||
| 286 | T | 35.3 | Very low | 31 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | trans | -81.6 | 156.9 | 158.2 | 58.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 287 | P | 41.2 | Very low | 31 | Very low | 115 Ų | 115 | 140 Ų | 140 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | -156.9 | 152.8 | 90.6 | 37 | -16.6 | 0 | 0 | 0 | 119.1 | |||||
| 288 | F | 26.4 | Very low | 30.9 | Very low | 206 Ų | 206 | 138.2 Ų | 138.2 | 90% | 0.904 | 81% | 0.806 | S | S | * | * | trans | 34 | 131.2 | 147.4 | -77.8 | -92.3 | 0 | 0 | 0 | 123.9 | ||||
| 289 | K | 25.8 | Very low | 30.9 | Very low | 191 Ų | 191 | 140.6 Ų | 140.6 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | 156.4 | 113.3 | 104.7 | -171.3 | 171.4 | -178.9 | -176.6 | 0 | 117.2 | |||||
| 290 | T | 25.7 | Very low | 30.9 | Very low | 112 Ų | 112 | 144.2 Ų | 144.2 | 69% | 0.687 | 82% | 0.817 | S | S | * | * | trans | 48.9 | 122.1 | 133.8 | -44.6 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 291 | E | 25.9 | Very low | 30.9 | Very low | 185 Ų | 185 | 146.4 Ų | 146.4 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | 89.1 | 155.5 | 147.7 | -81 | -167.4 | 167.6 | 0 | 0 | 124.2 | ||||
| 292 | P | 52.9 | Low | 30.6 | Very low | 109 Ų | 109 | 144.4 Ų | 144.4 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | trans | -109.7 | 176.1 | -149.4 | 45.6 | -39.5 | 0 | 0 | 0 | 115.8 | ||||
| 293 | P | 33.3 | Very low | 31 | Very low | 125 Ų | 125 | 152.5 Ų | 152.5 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | -153.4 | 179.3 | 95.9 | 40.5 | -20.9 | 0 | 0 | 0 | 117.8 | |||||
| 294 | L | 27.6 | Very low | 31 | Very low | 153 Ų | 153 | 149.8 Ų | 149.8 | 80% | 0.801 | 80% | 0.795 | S | S | * | * | trans | -15.5 | 153.6 | 167.6 | -82.1 | 155.4 | 0 | 0 | 0 | 124.5 | ||||
| 295 | E | 27.5 | Very low | 31.1 | Very low | 178 Ų | 178 | 153.2 Ų | 153.2 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | 68.2 | 146.3 | 159.9 | -66.4 | 177.3 | 124 | 0 | 0 | 117.5 | ||||
| 296 | E | 26.7 | Very low | 31.3 | Very low | 156 Ų | 156 | 153 Ų | 153 | 73% | 0.729 | 80% | 0.798 | S | S | * | * | cis | -145.4 | 166.9 | 20.5 | -148.5 | -163.9 | 144.7 | 0 | 0 | 113.9 | ||||
| 297 | R | 27.8 | Very low | 31.2 | Very low | 230 Ų | 230 | 152.4 Ų | 152.4 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | trans | -20.3 | 142.7 | 174.5 | -65.9 | 166.5 | 174 | -176.1 | -1.4 | 121.4 | ||||
| 298 | G | 28.6 | Very low | 30.9 | Very low | 71 Ų | 71 | 155 Ų | 155 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | trans | 174.8 | 111.8 | 149.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 299 | L | 30.4 | Very low | 31.5 | Very low | 181 Ų | 181 | 150.5 Ų | 150.5 | 95% | 0.948 | 79% | 0.793 | S | S | * | * | trans | 53.2 | 84.5 | 168 | -77.5 | 123.8 | 0 | 0 | 0 | 118.4 | ||||
| 300 | Q | 28 | Very low | 32.6 | Very low | 198 Ų | 198 | 147.9 Ų | 147.9 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | trans | -78.7 | 139 | 152 | -75.6 | -172.1 | 12.2 | 0 | 0 | 110.7 | D302 | Q300-D302 PolarHBondContact O-N 2.89Š| ||
| 301 | T | 29.8 | Very low | 33.6 | Very low | 126 Ų | 126 | 145.4 Ų | 145.4 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | -77.4 | 110.2 | 172 | -62.6 | 0 | 0 | 0 | 0 | 109.3 | R303 | T301-R303 HydrophobicContact CG2-CG 4.39Å; T301-R303 PolarHBondContact O-N 3.23Å | ||
| 302 | D | 28.8 | Very low | 34.7 | Very low | 147 Ų | 147 | 144 Ų | 144 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | trans | -70.7 | 103.4 | 172 | -174.6 | 14.2 | 0 | 0 | 0 | 110.5 | Q300 G304 | Q300-D302 PolarHBondContact O-N 2.89Å; D302-G304 PolarHBondContact OD1-N 3.45Å | ||
| 303 | R | 38 | Very low | 34.5 | Very low | 242 Ų | 242 | 141.7 Ų | 141.7 | 91% | 0.913 | 76% | 0.758 | S | S | * | * | trans | -118.5 | 56.6 | 162.8 | -88.5 | -169.5 | 165.8 | -171.9 | -2.5 | 109.8 | T301 | T301-R303 HydrophobicContact CG2-CG 4.39Å; T301-R303 PolarHBondContact O-N 3.23Å | ||
| 304 | G | 29.9 | Very low | 35.7 | Very low | 45 Ų | 45 | 137.3 Ų | 137.3 | 46% | 0.464 | 74% | 0.736 | S | S | . | * | trans | -97 | 139 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114 | D302 | D302-G304 PolarHBondContact OD1-N 3.45Š| ||
| 305 | L | 33.8 | Very low | 37.6 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 83% | 0.832 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 54.7 | 89.1 | 155.2 | -82.3 | 108.3 | 0 | 0 | 0 | 119.7 | ||
| 306 | L | 34.3 | Very low | 39.3 | Very low | 156 Ų | 156 | 133.1 Ų | 133.1 | 82% | 0.817 | 71% | 0.714 | S | S | * | * | 168.9 | 94.5 | 90.4 | -88.5 | -178.4 | 0 | 0 | 0 | 111 | |||||
| 307 | S | 33.6 | Very low | 41.5 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 80% | 0.804 | 69% | 0.688 | S | S | * | * | trans | -134.1 | 100.8 | 157.9 | -176.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 308 | E | 33.8 | Very low | 43.9 | Very low | 169 Ų | 169 | 124.2 Ų | 124.2 | 79% | 0.79 | 68% | 0.676 | S | S | * | * | trans | -60.2 | 137.7 | 171.4 | -77.4 | -173.4 | 93.8 | 0 | 0 | 109.9 | V310 | E308-V310 PolarHBondContact O-N 3.27Å; E308-V310 VanDerWaalsContact O-N 3.13Å | ||
| 309 | P | 39.6 | Very low | 46.5 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 73% | 0.727 | 67% | 0.665 | S | S | * | * | trans | -75.4 | 106.5 | -176.5 | 29.6 | -33.6 | 0 | 0 | 0 | 110.8 | A311 | P309-A311 HydrophobicContact CB-CB 4.18Å; P309-A311 PolarHBondContact O-N 2.81Å | ||
| 310 | V | 48.2 | Very low | 49.1 | Very low | 137 Ų | 137 | 119.5 Ų | 119.5 | 83% | 0.83 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 70.7 | 164.7 | -174.7 | 0 | 0 | 0 | 0 | 108.8 | E308 | E308-V310 PolarHBondContact O-N 3.27Å; E308-V310 VanDerWaalsContact O-N 3.13Å |
| 311 | A | 46.9 | Very low | 51.7 | Low | 60 Ų | 60 | 115.2 Ų | 115.2 | 50% | 0.496 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -118.6 | -28.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | P309 L313 G314 | P309-A311 HydrophobicContact CB-CB 4.18Å; P309-A311 PolarHBondContact O-N 2.81Å; A311-L313 VanDerWaalsContact C-N 3.34Å; A311-L313 PolarHBondContact O-N 3.47Å; A311-G314 PolarHBondContact O-N 3.14Å |
| 312 | E | 48.7 | Very low | 54.6 | Low | 156 Ų | 156 | 114.5 Ų | 114.5 | 73% | 0.729 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -13.2 | -171.4 | -65.2 | -151 | 144.2 | 0 | 0 | 115.7 | K157 | K157-E312 PolarHBondContact NZ-O 3.14Š|
| 313 | L | 50 | Low | 57.6 | Low | 59 Ų | 59 | 113 Ų | 113 | 31% | 0.309 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.6 | -42.7 | 174.2 | -161.9 | 65 | 0 | 0 | 0 | 111.1 | K157 I159 A311 Q315 E317 | K157-L313 HydrophobicContact CD-CD1 4.18Å; I159-L313 HydrophobicContact CD1-CD1 4.24Å; I159-L313 HydrophobicContact CD1-CD2 4.26Å; A311-L313 VanDerWaalsContact C-N 3.34Å; A311-L313 PolarHBondContact O-N 3.47Å; L313-Q315 VanDerWaalsContact C-N 3.32Å; L313-Q315 PolarHBondContact O-N 3.33Å; L313-E317 WeakPolarHBondContact CG-OE1 3.43Å |
| 314 | G | 58.4 | Low | 60.2 | Low | 34 Ų | 34 | 106.7 Ų | 106.7 | 35% | 0.351 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.3 | -26 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | A311 M316 E317 Y318 | A311-G314 PolarHBondContact O-N 3.14Å; G314-M316 PolarHBondContact O-N 2.8Å; G314-E317 PolarHBondContact O-N 3.36Å; G314-Y318 WeakPolarHBondContact O-CB 3.45Å; G314-Y318 PolarHBondContact O-N 2.96Å |
| 315 | Q | 66.1 | Low | 63.2 | Low | 144 Ų | 144 | 107.8 Ų | 107.8 | 67% | 0.673 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67 | -39.2 | -176.7 | -171.3 | 172 | -11.6 | 0 | 0 | 113.1 | L313 Q319 | L313-Q315 VanDerWaalsContact C-N 3.32Å; L313-Q315 PolarHBondContact O-N 3.33Å; Q315-Q319 WeakPolarHBondContact O-CG 3.26Å; Q315-Q319 PolarHBondContact O-N 3.34Å |
| 316 | M | 64.5 | Low | 66.2 | Low | 99 Ų | 99 | 104.9 Ų | 104.9 | 49% | 0.488 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -78.8 | -34.4 | 176.3 | -66.6 | -168 | 75.8 | 0 | 0 | 111.9 | K157 G314 Y318 Q319 L320 | K157-M316 VanDerWaalsContact CE-SD 3.52Å; G314-M316 PolarHBondContact O-N 2.8Å; M316-Y318 VanDerWaalsContact C-N 3.34Å; M316-Q319 PolarHBondContact O-N 3.42Å; M316-L320 WeakPolarHBondContact O-CB 3.22Å; M316-L320 PolarHBondContact O-N 2.81Å |
| 317 | E | 72.2 | Confident | 69.1 | Low | 43 Ų | 43 | 101 Ų | 101 | 20% | 0.201 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 173.3 | -65.9 | 173.6 | 162.3 | 0 | 0 | 111.3 | I135 L154 L313 G314 L320 L321 | I135-E317 WeakPolarHBondContact CD1-OE1 3.27Å; L154-E317 VanDerWaalsContact CD2-OE1 3.28Å; L154-E317 WeakPolarHBondContact CD2-OE1 3.2Å; L313-E317 WeakPolarHBondContact CG-OE1 3.43Å; G314-E317 PolarHBondContact O-N 3.36Å; E317-L320 PolarHBondContact O-N 3.43Å; E317-L321 VanDerWaalsContact O-CB 3.26Å; E317-L321 WeakPolarHBondContact O-CB 3.29Å; E317-L321 PolarHBondContact O-N 2.88Å |
| 318 | Y | 79.2 | Confident | 72.1 | Confident | 156 Ų | 156 | 100.3 Ų | 100.3 | 61% | 0.612 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.6 | -41.1 | 174.9 | -174.8 | -100.5 | 0 | 0 | 0 | 112.4 | G314 M316 L320 L321 K322 | G314-Y318 WeakPolarHBondContact O-CB 3.45Å; G314-Y318 PolarHBondContact O-N 2.96Å; M316-Y318 VanDerWaalsContact C-N 3.34Å; Y318-L320 VanDerWaalsContact C-N 3.34Å; Y318-L320 PolarHBondContact O-N 3.48Å; Y318-L321 PolarHBondContact O-N 2.82Å; Y318-K322 WeakPolarHBondContact O-CB 3.41Å; Y318-K322 PolarHBondContact O-N 3.11Å |
| 319 | Q | 82.9 | Confident | 75.1 | Confident | 105 Ų | 105 | 96.2 Ų | 96.2 | 49% | 0.491 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 175.1 | -69 | -68 | 3 | 0 | 0 | 112 | Q315 M316 F323 | Q315-Q319 WeakPolarHBondContact O-CG 3.26Å; Q315-Q319 PolarHBondContact O-N 3.34Å; M316-Q319 PolarHBondContact O-N 3.42Å; Q319-F323 WeakPolarHBondContact O-CB 3.44Å; Q319-F323 PolarHBondContact O-N 3.44Å |
| 320 | L | 83.3 | Confident | 77.8 | Confident | 47 Ų | 47 | 96.3 Ų | 96.3 | 25% | 0.246 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -69.9 | -42.7 | 175.4 | -173 | 82.6 | 0 | 0 | 0 | 112.1 | F155 M316 E317 Y318 K322 F323 F324 | F155-L320 HydrophobicContact CD1-CD1 4.44Å; F155-L320 HydrophobicContact CD1-CD2 3.81Å; F155-L320 HydrophobicContact CD2-CD2 3.98Å; F155-L320 HydrophobicContact CE1-CD1 4.35Å; F155-L320 HydrophobicContact CE1-CD2 3.23Å; F155-L320 HydrophobicContact CE1-CG 4.41Å; F155-L320 HydrophobicContact CE2-CD2 3.42Å; F155-L320 VanDerWaalsContact CE2-CD2 3.42Å; F155-L320 HydrophobicContact CG-CD2 4.19Å; F155-L320 HydrophobicContact CZ-CD2 3.04Å; F155-L320 HydrophobicContact CZ-CG 4.48Å; M316-L320 WeakPolarHBondContact O-CB 3.22Å; M316-L320 PolarHBondContact O-N 2.81Å; E317-L320 PolarHBondContact O-N 3.43Å; Y318-L320 VanDerWaalsContact C-N 3.34Å; Y318-L320 PolarHBondContact O-N 3.48Å; L320-K322 VanDerWaalsContact C-N 3.28Å; L320-K322 PolarHBondContact O-N 3.23Å; L320-F323 CarbonylContact O-C 3.59Å; L320-F323 WeakPolarHBondContact O-CB 3.47Å; L320-F323 PolarHBondContact O-N 3.45Å; L320-F323 VanDerWaalsContact O-N 3.11Å; L320-F324 HydrophobicContact CD1-CD2 4.41Å; L320-F324 HydrophobicContact CD1-CE2 4.03Å; L320-F324 HydrophobicContact CD2-CD2 4.23Å; L320-F324 HydrophobicContact CD2-CE2 3.81Å; L320-F324 HydrophobicContact CG-CD2 3.82Å; L320-F324 HydrophobicContact CG-CE2 3.71Å; L320-F324 WeakPolarHBondContact O-CD2 3.3Å; L320-F324 PolarHBondContact O-N 3.37Å |
| 321 | L | 84.3 | Confident | 80.1 | Confident | 108 Ų | 108 | 95.4 Ų | 95.4 | 57% | 0.565 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.3 | -38.7 | 175.4 | -178.3 | 63.1 | 0 | 0 | 0 | 111 | E317 Y318 T325 | E317-L321 VanDerWaalsContact O-CB 3.26Å; E317-L321 WeakPolarHBondContact O-CB 3.29Å; E317-L321 PolarHBondContact O-N 2.88Å; Y318-L321 PolarHBondContact O-N 2.82Å; L321-T325 VanDerWaalsContact O-CB 3.3Å; L321-T325 WeakPolarHBondContact O-CB 3.2Å; L321-T325 PolarHBondContact O-N 3.23Å; L321-T325 PolarHBondContact O-OG1 2.9Å |
| 322 | K | 89 | Confident | 82.5 | Confident | 111 Ų | 111 | 97 Ų | 97 | 48% | 0.483 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.5 | -45 | 170.4 | -178.8 | -177.8 | 177 | -174.5 | 0 | 111.2 | Y318 L320 T325 L326 | Y318-K322 WeakPolarHBondContact O-CB 3.41Å; Y318-K322 PolarHBondContact O-N 3.11Å; L320-K322 VanDerWaalsContact C-N 3.28Å; L320-K322 PolarHBondContact O-N 3.23Å; K322-T325 PolarHBondContact O-N 3.3Å; K322-L326 HydrophobicContact CG-CD1 4.35Å; K322-L326 WeakPolarHBondContact O-CB 3.32Å; K322-L326 VanDerWaalsContact O-CG 3.3Å; K322-L326 WeakPolarHBondContact O-CG 3.28Å; K322-L326 PolarHBondContact O-N 2.94Å |
| 323 | F | 93.6 | Very high | 84.8 | Confident | 117 Ų | 117 | 94.8 Ų | 94.8 | 51% | 0.513 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.7 | -46.2 | 176.3 | -179.4 | -103.4 | 0 | 0 | 0 | 112.5 | Q319 L320 T325 L326 L327 | Q319-F323 WeakPolarHBondContact O-CB 3.44Å; Q319-F323 PolarHBondContact O-N 3.44Å; L320-F323 CarbonylContact O-C 3.59Å; L320-F323 WeakPolarHBondContact O-CB 3.47Å; L320-F323 PolarHBondContact O-N 3.45Å; L320-F323 VanDerWaalsContact O-N 3.11Å; F323-T325 PolarHBondContact O-N 2.73Å; F323-L326 PolarHBondContact O-N 2.86Å; F323-L327 HydrophobicContact CD1-CD1 3.97Å; F323-L327 HydrophobicContact CD1-CG 4.42Å; F323-L327 HydrophobicContact CE1-CD1 3.42Å; F323-L327 VanDerWaalsContact CE1-CD1 3.42Å; F323-L327 HydrophobicContact CE1-CG 4.06Å; F323-L327 HydrophobicContact CZ-CD1 3.84Å; F323-L327 HydrophobicContact CZ-CD2 4.29Å; F323-L327 HydrophobicContact CZ-CG 4.11Å; F323-L327 WeakPolarHBondContact O-CG 3.5Å; F323-L327 PolarHBondContact O-N 3.29Å |
| 324 | F | 91.9 | Very high | 87 | Confident | 109 Ų | 109 | 94.8 Ų | 94.8 | 48% | 0.478 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 173.9 | -83.6 | -62.7 | 0 | 0 | 0 | 112.4 | L320 L326 L327 I328 | L320-F324 HydrophobicContact CD1-CD2 4.41Å; L320-F324 HydrophobicContact CD1-CE2 4.03Å; L320-F324 HydrophobicContact CD2-CD2 4.23Å; L320-F324 HydrophobicContact CD2-CE2 3.81Å; L320-F324 HydrophobicContact CG-CD2 3.82Å; L320-F324 HydrophobicContact CG-CE2 3.71Å; L320-F324 WeakPolarHBondContact O-CD2 3.3Å; L320-F324 PolarHBondContact O-N 3.37Å; F324-L326 VanDerWaalsContact C-N 3.33Å; F324-L326 PolarHBondContact O-N 2.92Å; F324-L327 PolarHBondContact O-N 2.84Å; F324-I328 VanDerWaalsContact O-CG1 3.29Å; F324-I328 WeakPolarHBondContact O-CG1 3.37Å; F324-I328 PolarHBondContact O-N 3.5Å |
| 325 | T | 93 | Very high | 88.9 | Confident | 67 Ų | 67 | 96.7 Ų | 96.7 | 41% | 0.411 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 174.6 | -58.7 | 0 | 0 | 0 | 0 | 111 | L321 K322 F323 I328 I329 | L321-T325 VanDerWaalsContact O-CB 3.3Å; L321-T325 WeakPolarHBondContact O-CB 3.2Å; L321-T325 PolarHBondContact O-N 3.23Å; L321-T325 PolarHBondContact O-OG1 2.9Å; K322-T325 PolarHBondContact O-N 3.3Å; F323-T325 PolarHBondContact O-N 2.73Å; T325-I328 PolarHBondContact O-N 3.38Å; T325-I329 HydrophobicContact CG2-CD1 3.97Å; T325-I329 VanDerWaalsContact O-CG1 3.28Å; T325-I329 WeakPolarHBondContact O-CG1 3.28Å; T325-I329 PolarHBondContact O-N 2.87Å |
| 326 | L | 96.1 | Very high | 90.3 | Very high | 98 Ų | 98 | 93.4 Ų | 93.4 | 51% | 0.513 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 175.3 | -71.9 | 172.2 | 0 | 0 | 0 | 112.6 | K322 F323 F324 I329 L330 | K322-L326 HydrophobicContact CG-CD1 4.35Å; K322-L326 WeakPolarHBondContact O-CB 3.32Å; K322-L326 VanDerWaalsContact O-CG 3.3Å; K322-L326 WeakPolarHBondContact O-CG 3.28Å; K322-L326 PolarHBondContact O-N 2.94Å; F323-L326 PolarHBondContact O-N 2.86Å; F324-L326 VanDerWaalsContact C-N 3.33Å; F324-L326 PolarHBondContact O-N 2.92Å; L326-I329 PolarHBondContact O-N 3.25Å; L326-L330 WeakPolarHBondContact O-CB 3.29Å; L326-L330 PolarHBondContact O-N 3.39Å |
| 327 | L | 95.4 | Very high | 91.9 | Very high | 75 Ų | 75 | 94.9 Ų | 94.9 | 39% | 0.393 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 174.1 | -74.5 | -178.8 | 0 | 0 | 0 | 112.4 | F323 F324 L330 L331 | F323-L327 HydrophobicContact CD1-CD1 3.97Å; F323-L327 HydrophobicContact CD1-CG 4.42Å; F323-L327 HydrophobicContact CE1-CD1 3.42Å; F323-L327 VanDerWaalsContact CE1-CD1 3.42Å; F323-L327 HydrophobicContact CE1-CG 4.06Å; F323-L327 HydrophobicContact CZ-CD1 3.84Å; F323-L327 HydrophobicContact CZ-CD2 4.29Å; F323-L327 HydrophobicContact CZ-CG 4.11Å; F323-L327 WeakPolarHBondContact O-CG 3.5Å; F323-L327 PolarHBondContact O-N 3.29Å; F324-L327 PolarHBondContact O-N 2.84Å; L327-L330 PolarHBondContact O-N 3.33Å; L327-L331 VanDerWaalsContact O-CB 3.29Å; L327-L331 WeakPolarHBondContact O-CB 3.3Å; L327-L331 PolarHBondContact O-N 2.89Å |
| 328 | I | 96.2 | Very high | 93 | Very high | 100 Ų | 100 | 98 Ų | 98 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 175.7 | -69 | 163.5 | 0 | 0 | 0 | 110.2 | F324 T325 L331 I332 | F324-I328 VanDerWaalsContact O-CG1 3.29Å; F324-I328 WeakPolarHBondContact O-CG1 3.37Å; F324-I328 PolarHBondContact O-N 3.5Å; T325-I328 PolarHBondContact O-N 3.38Å; I328-L331 PolarHBondContact O-N 2.9Å; I328-I332 HydrophobicContact CG2-CD1 3.8Å; I328-I332 HydrophobicContact CG2-CG1 4.49Å; I328-I332 VanDerWaalsContact O-CG1 3.28Å; I328-I332 WeakPolarHBondContact O-CG1 3.49Å; I328-I332 PolarHBondContact O-N 2.95Å |
| 329 | I | 96.8 | Very high | 93.7 | Very high | 83 Ų | 83 | 93.1 Ų | 93.1 | 43% | 0.426 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.7 | -46.1 | 174.9 | -68.8 | 164 | 0 | 0 | 0 | 110.8 | T325 L326 L331 I332 L333 | T325-I329 HydrophobicContact CG2-CD1 3.97Å; T325-I329 VanDerWaalsContact O-CG1 3.28Å; T325-I329 WeakPolarHBondContact O-CG1 3.28Å; T325-I329 PolarHBondContact O-N 2.87Å; L326-I329 PolarHBondContact O-N 3.25Å; I329-L331 VanDerWaalsContact C-N 3.32Å; I329-L331 PolarHBondContact O-N 3.49Å; I329-I332 PolarHBondContact O-N 3.37Å; I329-L333 HydrophobicContact CG2-CD1 3.9Å; I329-L333 HydrophobicContact CG2-CG 4.35Å; I329-L333 WeakPolarHBondContact O-CB 3.48Å; I329-L333 VanDerWaalsContact O-CG 3.3Å; I329-L333 WeakPolarHBondContact O-CG 3.29Å; I329-L333 PolarHBondContact O-N 3.47Å |
| 330 | L | 96.4 | Very high | 94.4 | Very high | 114 Ų | 114 | 95 Ų | 95 | 60% | 0.597 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.4 | -41.2 | 177.2 | -171.9 | 76.3 | 0 | 0 | 0 | 111.8 | L326 L327 L333 S334 | L326-L330 WeakPolarHBondContact O-CB 3.29Å; L326-L330 PolarHBondContact O-N 3.39Å; L327-L330 PolarHBondContact O-N 3.33Å; L330-L333 PolarHBondContact O-N 2.86Å; L330-S334 WeakPolarHBondContact O-CB 3.42Å; L330-S334 PolarHBondContact O-N 2.96Å; L330-S334 PolarHBondContact O-OG 3.42Å |
| 331 | L | 96.4 | Very high | 94.9 | Very high | 119 Ų | 119 | 98.7 Ų | 98.7 | 62% | 0.623 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.4 | -38.9 | 178.2 | -173.2 | 128.2 | 0 | 0 | 0 | 112.2 | L327 I328 I329 S334 S335 | L327-L331 VanDerWaalsContact O-CB 3.29Å; L327-L331 WeakPolarHBondContact O-CB 3.3Å; L327-L331 PolarHBondContact O-N 2.89Å; I328-L331 PolarHBondContact O-N 2.9Å; I329-L331 VanDerWaalsContact C-N 3.32Å; I329-L331 PolarHBondContact O-N 3.49Å; L331-S334 PolarHBondContact O-OG 2.9Å; L331-S335 VanDerWaalsContact O-CB 3.29Å; L331-S335 WeakPolarHBondContact O-CB 3.46Å; L331-S335 PolarHBondContact O-N 2.88Å |
| 332 | I | 97.1 | Very high | 95.4 | Very high | 92 Ų | 92 | 97.2 Ų | 97.2 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.8 | -47.3 | 172.6 | -68.1 | 164.7 | 0 | 0 | 0 | 110 | I328 I329 S334 S335 C336 | I328-I332 HydrophobicContact CG2-CD1 3.8Å; I328-I332 HydrophobicContact CG2-CG1 4.49Å; I328-I332 VanDerWaalsContact O-CG1 3.28Å; I328-I332 WeakPolarHBondContact O-CG1 3.49Å; I328-I332 PolarHBondContact O-N 2.95Å; I329-I332 PolarHBondContact O-N 3.37Å; I332-S334 VanDerWaalsContact C-N 3.35Å; I332-S334 PolarHBondContact O-N 3.26Å; I332-S335 PolarHBondContact O-N 3.02Å; I332-C336 WeakPolarHBondContact O-CB 3.44Å; I332-C336 PolarHBondContact O-N 3.43Å; I332-C336 PolarHBondContact O-SG 3.42Å |
| 333 | L | 97.1 | Very high | 95.6 | Very high | 110 Ų | 110 | 95.1 Ų | 95.1 | 58% | 0.576 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.7 | -40.1 | 178.3 | -71.7 | 173.3 | 0 | 0 | 0 | 112.4 | I329 L330 C336 Y337 | I329-L333 HydrophobicContact CG2-CD1 3.9Å; I329-L333 HydrophobicContact CG2-CG 4.35Å; I329-L333 WeakPolarHBondContact O-CB 3.48Å; I329-L333 VanDerWaalsContact O-CG 3.3Å; I329-L333 WeakPolarHBondContact O-CG 3.29Å; I329-L333 PolarHBondContact O-N 3.47Å; L330-L333 PolarHBondContact O-N 2.86Å; L333-C336 PolarHBondContact O-N 2.87Å; L333-Y337 WeakPolarHBondContact O-CB 3.36Å; L333-Y337 PolarHBondContact O-N 2.89Å |
| 334 | S | 97 | Very high | 95.4 | Very high | 59 Ų | 59 | 91.1 Ų | 91.1 | 41% | 0.413 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.1 | -38.7 | 176.1 | 71.2 | 0 | 0 | 0 | 0 | 112.1 | L330 L331 I332 Y337 L338 | L330-S334 WeakPolarHBondContact O-CB 3.42Å; L330-S334 PolarHBondContact O-N 2.96Å; L330-S334 PolarHBondContact O-OG 3.42Å; L331-S334 PolarHBondContact O-OG 2.9Å; I332-S334 VanDerWaalsContact C-N 3.35Å; I332-S334 PolarHBondContact O-N 3.26Å; S334-Y337 PolarHBondContact O-N 3.27Å; S334-L338 WeakPolarHBondContact O-CG 3.36Å; S334-L338 PolarHBondContact O-N 3.42Å |
| 335 | S | 97.6 | Very high | 95.4 | Very high | 74 Ų | 74 | 90.2 Ų | 90.2 | 52% | 0.517 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 172.7 | -174.8 | 0 | 0 | 0 | 0 | 111.8 | L331 I332 L338 A339 | L331-S335 VanDerWaalsContact O-CB 3.29Å; L331-S335 WeakPolarHBondContact O-CB 3.46Å; L331-S335 PolarHBondContact O-N 2.88Å; I332-S335 PolarHBondContact O-N 3.02Å; S335-L338 PolarHBondContact O-N 3.34Å; S335-A339 WeakPolarHBondContact O-CB 3.3Å; S335-A339 PolarHBondContact O-N 3.27Å |
| 336 | C | 97 | Very high | 95.2 | Very high | 75 Ų | 75 | 92.7 Ų | 92.7 | 51% | 0.507 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 174.5 | -69.3 | 0 | 0 | 0 | 0 | 112.4 | I332 L333 A339 F340 | I332-C336 WeakPolarHBondContact O-CB 3.44Å; I332-C336 PolarHBondContact O-N 3.43Å; I332-C336 PolarHBondContact O-SG 3.42Å; L333-C336 PolarHBondContact O-N 2.87Å; C336-A339 PolarHBondContact O-N 3.43Å; C336-F340 WeakPolarHBondContact O-CB 3.35Å; C336-F340 PolarHBondContact O-N 3.33Å |
| 337 | Y | 96.7 | Very high | 94.7 | Very high | 130 Ų | 130 | 93.9 Ų | 93.9 | 51% | 0.51 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 176.3 | 177.5 | -95.1 | 0 | 0 | 0 | 111.9 | L333 S334 F340 R341 | L333-Y337 WeakPolarHBondContact O-CB 3.36Å; L333-Y337 PolarHBondContact O-N 2.89Å; S334-Y337 PolarHBondContact O-N 3.27Å; Y337-F340 PolarHBondContact O-N 2.89Å; Y337-R341 HydrophobicContact CD1-CG 4.11Å; Y337-R341 HydrophobicContact CE1-CG 3.64Å; Y337-R341 HydrophobicContact CE2-CG 4.23Å; Y337-R341 WeakPolarHBondContact O-CB 3.33Å; Y337-R341 WeakPolarHBondContact O-CG 3.42Å; Y337-R341 PolarHBondContact O-N 3.3Å; Y337-R341 PolarHBondContact OH-NE 3.47Å; Y337-R341 PolarHBondContact OH-NH2 2.95Å |
| 338 | L | 95.1 | Very high | 94.3 | Very high | 109 Ų | 109 | 95.8 Ų | 95.8 | 57% | 0.571 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.1 | -44.5 | 175.9 | -71.5 | 172.8 | 0 | 0 | 0 | 111.3 | S334 S335 R341 V342 | S334-L338 WeakPolarHBondContact O-CG 3.36Å; S334-L338 PolarHBondContact O-N 3.42Å; S335-L338 PolarHBondContact O-N 3.34Å; L338-R341 PolarHBondContact O-N 3.43Å; L338-V342 WeakPolarHBondContact O-CG2 3.38Å; L338-V342 PolarHBondContact O-N 2.91Å |
| 339 | A | 95.4 | Very high | 93.6 | Very high | 54 Ų | 54 | 96.5 Ų | 96.5 | 45% | 0.446 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.2 | -47.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | S335 C336 R341 V342 C343 | S335-A339 WeakPolarHBondContact O-CB 3.3Å; S335-A339 PolarHBondContact O-N 3.27Å; C336-A339 PolarHBondContact O-N 3.43Å; A339-R341 VanDerWaalsContact C-N 3.33Å; A339-R341 PolarHBondContact O-N 2.88Å; A339-V342 PolarHBondContact O-N 2.82Å; A339-C343 PolarHBondContact O-N 2.92Å; A339-C343 PolarHBondContact O-SG 3.49Å |
| 340 | F | 96.1 | Very high | 92.7 | Very high | 143 Ų | 143 | 95.5 Ų | 95.5 | 63% | 0.627 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.6 | -41.4 | 175.6 | 178.3 | -96.5 | 0 | 0 | 0 | 112.3 | C336 Y337 C343 S344 | C336-F340 WeakPolarHBondContact O-CB 3.35Å; C336-F340 PolarHBondContact O-N 3.33Å; Y337-F340 PolarHBondContact O-N 2.89Å; F340-C343 PolarHBondContact O-N 2.81Å; F340-S344 VanDerWaalsContact O-CB 3.26Å; F340-S344 WeakPolarHBondContact O-CB 3.36Å; F340-S344 PolarHBondContact O-N 3.11Å |
| 341 | R | 95.1 | Very high | 91.7 | Very high | 125 Ų | 125 | 98.1 Ų | 98.1 | 47% | 0.472 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 175.2 | -81.6 | -62.8 | -143.2 | 166.8 | 8.7 | 112.3 | Y337 L338 A339 S344 L345 | Y337-R341 HydrophobicContact CD1-CG 4.11Å; Y337-R341 HydrophobicContact CE1-CG 3.64Å; Y337-R341 HydrophobicContact CE2-CG 4.23Å; Y337-R341 WeakPolarHBondContact O-CB 3.33Å; Y337-R341 WeakPolarHBondContact O-CG 3.42Å; Y337-R341 PolarHBondContact O-N 3.3Å; Y337-R341 PolarHBondContact OH-NE 3.47Å; Y337-R341 PolarHBondContact OH-NH2 2.95Å; L338-R341 PolarHBondContact O-N 3.43Å; A339-R341 VanDerWaalsContact C-N 3.33Å; A339-R341 PolarHBondContact O-N 2.88Å; R341-S344 PolarHBondContact O-N 2.95Å; R341-L345 WeakPolarHBondContact O-CB 3.41Å; R341-L345 VanDerWaalsContact O-CG 3.26Å; R341-L345 WeakPolarHBondContact O-CG 3.42Å; R341-L345 PolarHBondContact O-N 2.93Å |
| 342 | V | 94.8 | Very high | 90.4 | Very high | 77 Ų | 77 | 99.1 Ų | 99.1 | 47% | 0.467 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -51.7 | 175.6 | 170.8 | 0 | 0 | 0 | 0 | 110.2 | L338 A339 S344 L345 E346 | L338-V342 WeakPolarHBondContact O-CG2 3.38Å; L338-V342 PolarHBondContact O-N 2.91Å; A339-V342 PolarHBondContact O-N 2.82Å; V342-S344 VanDerWaalsContact C-N 3.28Å; V342-S344 PolarHBondContact O-N 3.4Å; V342-L345 PolarHBondContact O-N 3.27Å; V342-L345 VanDerWaalsContact O-N 3.11Å; V342-E346 HydrophobicContact CG1-CG 4.32Å; V342-E346 WeakPolarHBondContact O-CG 3.37Å; V342-E346 PolarHBondContact O-N 3.24Å |
| 343 | C | 92.1 | Very high | 89.2 | Confident | 68 Ų | 68 | 99 Ų | 99 | 46% | 0.459 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.4 | -37.6 | 177.8 | -62.3 | 0 | 0 | 0 | 0 | 112.8 | A339 F340 E346 Q347 | A339-C343 PolarHBondContact O-N 2.92Å; A339-C343 PolarHBondContact O-SG 3.49Å; F340-C343 PolarHBondContact O-N 2.81Å; C343-E346 PolarHBondContact O-N 3.43Å; C343-Q347 WeakPolarHBondContact O-CG 3.18Å; C343-Q347 PolarHBondContact O-N 3.37Å |
| 344 | S | 89.1 | Confident | 87.6 | Confident | 32 Ų | 32 | 99.7 Ų | 99.7 | 22% | 0.224 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -67.9 | -39.1 | 176.4 | 178.5 | 0 | 0 | 0 | 0 | 112.3 | F340 R341 V342 Q348 | F340-S344 VanDerWaalsContact O-CB 3.26Å; F340-S344 WeakPolarHBondContact O-CB 3.36Å; F340-S344 PolarHBondContact O-N 3.11Å; R341-S344 PolarHBondContact O-N 2.95Å; V342-S344 VanDerWaalsContact C-N 3.28Å; V342-S344 PolarHBondContact O-N 3.4Å; S344-Q348 WeakPolarHBondContact O-CG 3.17Å; S344-Q348 PolarHBondContact O-N 2.78Å |
| 345 | L | 92.3 | Very high | 85.7 | Confident | 91 Ų | 91 | 101.9 Ų | 101.9 | 48% | 0.476 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.5 | -39 | 173.9 | -72.8 | 169.1 | 0 | 0 | 0 | 111.8 | R341 V342 Q348 L349 | R341-L345 WeakPolarHBondContact O-CB 3.41Å; R341-L345 VanDerWaalsContact O-CG 3.26Å; R341-L345 WeakPolarHBondContact O-CG 3.42Å; R341-L345 PolarHBondContact O-N 2.93Å; V342-L345 PolarHBondContact O-N 3.27Å; V342-L345 VanDerWaalsContact O-N 3.11Å; L345-Q348 PolarHBondContact O-N 3.24Å; L345-L349 WeakPolarHBondContact O-CB 3.37Å; L345-L349 WeakPolarHBondContact O-CG 3.39Å; L345-L349 PolarHBondContact O-N 3.46Å |
| 346 | E | 90.2 | Very high | 83.8 | Confident | 118 Ų | 118 | 104.9 Ų | 104.9 | 55% | 0.551 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.1 | -41.5 | 173.5 | -75.1 | 178.4 | 166.6 | 0 | 0 | 111.5 | V342 C343 L349 S350 | V342-E346 HydrophobicContact CG1-CG 4.32Å; V342-E346 WeakPolarHBondContact O-CG 3.37Å; V342-E346 PolarHBondContact O-N 3.24Å; C343-E346 PolarHBondContact O-N 3.43Å; E346-L349 PolarHBondContact O-N 2.9Å; E346-S350 WeakPolarHBondContact O-CB 3.26Å; E346-S350 PolarHBondContact O-N 3.46Å; E346-S350 PolarHBondContact O-OG 2.95Å |
| 347 | Q | 85.9 | Confident | 81.6 | Confident | 124 Ų | 124 | 109.2 Ų | 109.2 | 58% | 0.579 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -59.6 | -50.4 | 171.5 | -76.7 | 177.5 | -13.6 | 0 | 0 | 111.2 | C343 L349 S350 F351 | C343-Q347 WeakPolarHBondContact O-CG 3.18Å; C343-Q347 PolarHBondContact O-N 3.37Å; Q347-L349 VanDerWaalsContact C-N 3.33Å; Q347-L349 PolarHBondContact O-N 3.43Å; Q347-S350 PolarHBondContact O-N 3.39Å; Q347-S350 VanDerWaalsContact O-N 3.13Å; Q347-S350 PolarHBondContact O-OG 2.82Å; Q347-F351 VanDerWaalsContact O-CD2 3.23Å; Q347-F351 WeakPolarHBondContact O-CD2 3.26Å; Q347-F351 PolarHBondContact O-N 3.27Å |
| 348 | Q | 86.8 | Confident | 79.4 | Confident | 115 Ų | 115 | 108.1 Ų | 108.1 | 54% | 0.537 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -60.4 | -39.8 | 177.9 | -72.5 | -178.2 | -35.4 | 0 | 0 | 112.8 | S344 L345 F351 L352 | S344-Q348 WeakPolarHBondContact O-CG 3.17Å; S344-Q348 PolarHBondContact O-N 2.78Å; L345-Q348 PolarHBondContact O-N 3.24Å; Q348-F351 PolarHBondContact O-N 3.07Å; Q348-L352 WeakPolarHBondContact O-CG 3.23Å; Q348-L352 PolarHBondContact O-N 3.29Å; Q348-L352 VanDerWaalsContact O-N 3.15Å |
| 349 | L | 80.4 | Confident | 77.2 | Confident | 115 Ų | 115 | 111.8 Ų | 111.8 | 60% | 0.602 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66 | -38.6 | 173.8 | -78.5 | 163.1 | 0 | 0 | 0 | 112 | L345 E346 Q347 F351 L352 S353 | L345-L349 WeakPolarHBondContact O-CB 3.37Å; L345-L349 WeakPolarHBondContact O-CG 3.39Å; L345-L349 PolarHBondContact O-N 3.46Å; E346-L349 PolarHBondContact O-N 2.9Å; Q347-L349 VanDerWaalsContact C-N 3.33Å; Q347-L349 PolarHBondContact O-N 3.43Å; L349-F351 VanDerWaalsContact C-N 3.33Å; L349-F351 PolarHBondContact O-N 3.05Å; L349-L352 PolarHBondContact O-N 2.71Å; L349-S353 WeakPolarHBondContact O-CB 3.41Å; L349-S353 PolarHBondContact O-N 3.13Å |
| 350 | S | 77.2 | Confident | 74.9 | Confident | 62 Ų | 62 | 120.3 Ų | 120.3 | 43% | 0.434 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -66 | -33.1 | 176.9 | 75.6 | 0 | 0 | 0 | 0 | 113.1 | E346 Q347 | E346-S350 WeakPolarHBondContact O-CB 3.26Å; E346-S350 PolarHBondContact O-N 3.46Å; E346-S350 PolarHBondContact O-OG 2.95Å; Q347-S350 PolarHBondContact O-N 3.39Å; Q347-S350 VanDerWaalsContact O-N 3.13Å; Q347-S350 PolarHBondContact O-OG 2.82Å |
| 351 | F | 76 | Confident | 72.9 | Confident | 168 Ų | 168 | 122.2 Ų | 122.2 | 74% | 0.737 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -67.9 | -42.3 | 171.3 | -82.4 | -69.4 | 0 | 0 | 0 | 112 | Q347 Q348 L349 | Q347-F351 VanDerWaalsContact O-CD2 3.23Å; Q347-F351 WeakPolarHBondContact O-CD2 3.26Å; Q347-F351 PolarHBondContact O-N 3.27Å; Q348-F351 PolarHBondContact O-N 3.07Å; L349-F351 VanDerWaalsContact C-N 3.33Å; L349-F351 PolarHBondContact O-N 3.05Å |
| 352 | L | 70.4 | Confident | 70.8 | Confident | 141 Ų | 141 | 131.5 Ų | 131.5 | 74% | 0.738 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -73.6 | -27.3 | 176.8 | -66.9 | 172 | 0 | 0 | 0 | 113.1 | Q348 L349 N354 | Q348-L352 WeakPolarHBondContact O-CG 3.23Å; Q348-L352 PolarHBondContact O-N 3.29Å; Q348-L352 VanDerWaalsContact O-N 3.15Å; L349-L352 PolarHBondContact O-N 2.71Å; L352-N354 PolarHBondContact O-N 3.36Å |
| 353 | S | 70.3 | Confident | 69.6 | Low | 90 Ų | 90 | 134.2 Ų | 134.2 | 63% | 0.629 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -4.5 | 178.4 | -174.1 | 0 | 0 | 0 | 0 | 113.9 | L349 P355 | L349-S353 WeakPolarHBondContact O-CB 3.41Å; L349-S353 PolarHBondContact O-N 3.13Å; S353-P355 WeakPolarHBondContact O-CD 3.45Å |
| 354 | N | 63.6 | Low | 68.4 | Low | 124 Ų | 124 | 137.7 Ų | 137.7 | 66% | 0.663 | 69% | 0.687 | S | S | * | * | trans | -113.2 | 69.3 | 176.8 | -97.6 | -59.3 | 0 | 0 | 0 | 112.6 | L352 N356 | L352-N354 PolarHBondContact O-N 3.36Å; N354-N356 PolarHBondContact O-N 3.15Å | ||
| 355 | P | 58.2 | Low | 67.2 | Low | 104 Ų | 104 | 143.6 Ų | 143.6 | 68% | 0.675 | 71% | 0.713 | S | S | * | * | trans | -79.5 | 8 | 175.6 | 33.6 | -36.2 | 0 | 0 | 0 | 114.2 | S353 | S353-P355 WeakPolarHBondContact O-CD 3.45Š| ||
| 356 | N | 56.2 | Low | 65.7 | Low | 137 Ų | 137 | 146.6 Ų | 146.6 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | trans | -136.2 | 94.3 | -174.8 | -73.9 | -72.8 | 0 | 0 | 0 | 113.2 | N354 | N354-N356 PolarHBondContact O-N 3.15Š| ||
| 357 | L | 52.5 | Low | 64.2 | Low | 166 Ų | 166 | 148.4 Ų | 148.4 | 87% | 0.869 | 74% | 0.738 | S | S | * | * | trans | -122.8 | 129.8 | 146.9 | -139.5 | 107.1 | 0 | 0 | 0 | 107.1 | ||||
| 358 | P | 48.7 | Very low | 62.8 | Low | 108 Ų | 108 | 150.1 Ų | 150.1 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | trans | -77.1 | 146.2 | -163 | 29.7 | -34.9 | 0 | 0 | 0 | 112.7 | R360 | P358-R360 PolarHBondContact O-N 2.99Š| ||
| 359 | L | 50.1 | Low | 61 | Low | 186 Ų | 186 | 152.6 Ų | 152.6 | 97% | 0.974 | 76% | 0.764 | S | S | * | * | trans | -50.1 | 106 | 153.1 | -104.2 | 151.6 | 0 | 0 | 0 | 108.4 | ||||
| 360 | R | 47.2 | Very low | 59.6 | Low | 233 Ų | 233 | 155.5 Ų | 155.5 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | trans | -106 | 116 | 171.5 | -168.9 | 173.4 | -167.1 | 160.5 | 5.8 | 108.7 | P358 R362 | P358-R360 PolarHBondContact O-N 2.99Å; R360-R362 PolarHBondContact O-N 3.44Å | ||
| 361 | E | 53 | Low | 58.1 | Low | 182 Ų | 182 | 163.3 Ų | 163.3 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | -52 | 130.4 | 173.1 | -60 | 162.7 | 108.7 | 0 | 0 | 111.6 | ||||
| 362 | R | 50.8 | Low | 56.5 | Low | 320 Ų | 320 | 162.8 Ų | 162.8 | 100% | 1.208 | 81% | 0.811 | S | S | * | * | -169.1 | 0 | 118.9 | -104.9 | 174.3 | -176.5 | 170.6 | 1.6 | 112.2 | R360 | R360-R362 PolarHBondContact O-N 3.44Š|
Retrieved 362 of 362 residues in 440.3 ms
(Link to these results)