| 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 | S | 32.2 | Very low | 33.4 | Very low | 168 Ų | 168 | 124.6 Ų | 124.6 | 100% | 1.175 | 69% | 0.694 | S | S | * | * | 0 | 99.2 | 0 | 39.1 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 2 | S | 30.2 | Very low | 33.1 | Very low | 122 Ų | 122 | 124.9 Ų | 124.9 | 85% | 0.853 | 71% | 0.709 | S | S | * | * | trans | -83.5 | 108.3 | -177.9 | 40.4 | 0 | 0 | 0 | 0 | 109.4 | E4 | S2-E4 PolarHBondContact O-N 3.3Š| ||
| 3 | T | 27.8 | Very low | 33.4 | Very low | 128 Ų | 128 | 127.4 Ų | 127.4 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | trans | -80.3 | 103.8 | 165 | 30 | 0 | 0 | 0 | 0 | 108.2 | I5 | T3-I5 PolarHBondContact O-N 2.97Š| ||
| 4 | E | 28.1 | Very low | 33 | Very low | 189 Ų | 189 | 125.9 Ų | 125.9 | 88% | 0.883 | 71% | 0.712 | S | S | * | * | trans | -62.3 | 112.9 | 160 | -77.5 | 176.3 | 146.4 | 0 | 0 | 107.7 | S2 D6 | S2-E4 PolarHBondContact O-N 3.3Å; E4-D6 PolarHBondContact O-N 3.34Å | ||
| 5 | I | 30.2 | Very low | 32.7 | Very low | 109 Ų | 109 | 126 Ų | 126 | 56% | 0.559 | 72% | 0.72 | S | S | * | * | trans | -88.8 | 100.8 | 169.2 | -61.9 | 174.1 | 0 | 0 | 0 | 106 | T3 R301 | T3-I5 PolarHBondContact O-N 2.97Å; I5-R301 PolarHBondContact O-NH2 3.23Å | ||
| 6 | D | 31.8 | Very low | 32.8 | Very low | 102 Ų | 102 | 123.4 Ų | 123.4 | 55% | 0.545 | 72% | 0.719 | S | S | . | * | trans | -72 | 118.8 | 174.3 | -142.2 | -8.8 | 0 | 0 | 0 | 107.9 | E4 L8 S9 | E4-D6 PolarHBondContact O-N 3.34Å; D6-L8 PolarHBondContact O-N 2.8Å; D6-S9 WeakPolarHBondContact CB-OG 3.33Å; D6-S9 PolarHBondContact O-N 3.47Å; D6-S9 VanDerWaalsContact O-N 3.1Å; D6-S9 PolarHBondContact O-OG 3.32Å | ||
| 7 | F | 39.5 | Very low | 32.6 | Very low | 110 Ų | 110 | 124.1 Ų | 124.1 | 48% | 0.482 | 73% | 0.725 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71 | -2.7 | -175 | -94.5 | -109.2 | 0 | 0 | 0 | 113.4 | R301 | F7-R301 VanDerWaalsContact CE2-CZ 3.44Š|
| 8 | L | 41 | Very low | 32.8 | Very low | 116 Ų | 116 | 121.2 Ų | 121.2 | 61% | 0.607 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -19.7 | 172.3 | -77.4 | 158.8 | 0 | 0 | 0 | 113.3 | D6 D10 F11 | D6-L8 PolarHBondContact O-N 2.8Å; L8-D10 PolarHBondContact O-N 3.21Å; L8-F11 PolarHBondContact O-N 2.77Å |
| 9 | S | 34.2 | Very low | 32.7 | Very low | 74 Ų | 74 | 120.3 Ų | 120.3 | 52% | 0.517 | 71% | 0.711 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.6 | -22.1 | -174.4 | 65.4 | 0 | 0 | 0 | 0 | 113.9 | D6 F11 | D6-S9 WeakPolarHBondContact CB-OG 3.33Å; D6-S9 PolarHBondContact O-N 3.47Å; D6-S9 VanDerWaalsContact O-N 3.1Å; D6-S9 PolarHBondContact O-OG 3.32Å; S9-F11 VanDerWaalsContact C-N 3.26Å; S9-F11 PolarHBondContact O-N 3.02Å |
| 10 | D | 33.6 | Very low | 32.8 | Very low | 126 Ų | 126 | 118.6 Ų | 118.6 | 67% | 0.674 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | 5.6 | 175.3 | -75.5 | -14.6 | 0 | 0 | 0 | 113.4 | L8 | L8-D10 PolarHBondContact O-N 3.21Š|
| 11 | F | 39.2 | Very low | 33.5 | Very low | 127 Ų | 127 | 117.5 Ų | 117.5 | 56% | 0.557 | 70% | 0.695 | S | S | * | * | trans | -133.7 | 62.4 | 177.1 | -72.6 | -81.1 | 0 | 0 | 0 | 112.2 | L8 S9 M13 | L8-F11 PolarHBondContact O-N 2.77Å; S9-F11 VanDerWaalsContact C-N 3.26Å; S9-F11 PolarHBondContact O-N 3.02Å; F11-M13 PolarHBondContact O-N 2.78Å | ||
| 12 | C | 29.2 | Very low | 33.7 | Very low | 128 Ų | 128 | 117.8 Ų | 117.8 | 87% | 0.865 | 68% | 0.678 | S | S | * | * | trans | -87.7 | 87.4 | 159.1 | -153.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 13 | M | 37.1 | Very low | 33.9 | Very low | 157 Ų | 157 | 117.1 Ų | 117.1 | 77% | 0.773 | 67% | 0.674 | S | S | * | * | trans | -105.9 | 142.8 | 157.9 | -77.8 | -83.2 | -111.4 | 0 | 0 | 107.3 | F11 | F11-M13 PolarHBondContact O-N 2.78Š| ||
| 14 | P | 28.1 | Very low | 34.3 | Very low | 106 Ų | 106 | 115.8 Ų | 115.8 | 69% | 0.688 | 66% | 0.661 | S | S | * | * | trans | -57.6 | 148.3 | -177.9 | 24.6 | -33.3 | 0 | 0 | 0 | 110.3 | A16 | P14-A16 PolarHBondContact O-N 2.84Š| ||
| 15 | P | 28.6 | Very low | 34.5 | Very low | 128 Ų | 128 | 114.4 Ų | 114.4 | 83% | 0.831 | 66% | 0.66 | S | S | * | * | trans | -55 | 115.1 | 179.3 | 21.6 | -31.5 | 0 | 0 | 0 | 109.4 | T17 | P15-T17 PolarHBondContact O-N 3.5Š| ||
| 16 | A | 34.4 | Very low | 34.8 | Very low | 85 Ų | 85 | 114.1 Ų | 114.1 | 70% | 0.702 | 67% | 0.665 | S | S | * | * | trans | -66.2 | 127.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | P14 S18 | P14-A16 PolarHBondContact O-N 2.84Å; A16-S18 PolarHBondContact O-N 2.67Å | ||
| 17 | T | 28.6 | Very low | 34.9 | Very low | 135 Ų | 135 | 117.5 Ų | 117.5 | 83% | 0.828 | 68% | 0.681 | S | S | * | * | trans | -64.9 | 99.7 | 176.4 | 36 | 0 | 0 | 0 | 0 | 108.9 | P15 | P15-T17 PolarHBondContact O-N 3.5Š| ||
| 18 | S | 36.7 | Very low | 34.6 | Very low | 72 Ų | 72 | 118.3 Ų | 118.3 | 50% | 0.503 | 70% | 0.695 | S | S | . | * | P | Polyproline II helix | trans | -60.6 | 127.8 | 169.2 | -62.5 | 0 | 0 | 0 | 0 | 108.6 | A16 S20 | A16-S18 PolarHBondContact O-N 2.67Å; S18-S20 PolarHBondContact O-N 2.8Å |
| 19 | P | 30.6 | Very low | 34 | Very low | 104 Ų | 104 | 116.1 Ų | 116.1 | 68% | 0.675 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 128.1 | 168.1 | 24.2 | -29.5 | 0 | 0 | 0 | 108.3 | L21 | P19-L21 PolarHBondContact O-N 3.26Š|
| 20 | S | 35 | Very low | 33.7 | Very low | 85 Ų | 85 | 116 Ų | 116 | 59% | 0.594 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 130.6 | 177.9 | 56.7 | 0 | 0 | 0 | 0 | 110.6 | S18 Q22 | S18-S20 PolarHBondContact O-N 2.8Å; S20-Q22 PolarHBondContact O-N 3.09Å |
| 21 | L | 47.4 | Very low | 33.6 | Very low | 96 Ų | 96 | 116.9 Ų | 116.9 | 50% | 0.503 | 72% | 0.72 | S | S | . | * | trans | -66 | 16.1 | 173.5 | -86.7 | 159.2 | 0 | 0 | 0 | 114.2 | P19 S23 Y167 | P19-L21 PolarHBondContact O-N 3.26Å; L21-S23 VanDerWaalsContact C-N 3.27Å; L21-S23 PolarHBondContact O-N 2.88Å; L21-Y167 HydrophobicContact CD2-CD1 3.87Å; L21-Y167 HydrophobicContact CD2-CE1 4.09Å | ||
| 22 | Q | 36.8 | Very low | 33.1 | Very low | 174 Ų | 174 | 120 Ų | 120 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 71.5 | 174.6 | -68.8 | -178.1 | -10.3 | 0 | 0 | 111.1 | S20 | S20-Q22 PolarHBondContact O-N 3.09Š|
| 23 | S | 33.9 | Very low | 33 | Very low | 108 Ų | 108 | 121.1 Ų | 121.1 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -164.8 | 24.6 | 156 | 54.9 | 0 | 0 | 0 | 0 | 115.1 | L21 | L21-S23 VanDerWaalsContact C-N 3.27Å; L21-S23 PolarHBondContact O-N 2.88Å |
| 24 | L | 37 | Very low | 32.6 | Very low | 101 Ų | 101 | 122.7 Ų | 122.7 | 53% | 0.529 | 74% | 0.742 | S | S | . | * | S | Bend | trans | -118.8 | 107.1 | 165.2 | -71 | 167.3 | 0 | 0 | 0 | 107.7 | P26 | L24-P26 WeakPolarHBondContact O-CD 3.39Š|
| 25 | N | 30.7 | Very low | 32.6 | Very low | 160 Ų | 160 | 120.9 Ų | 120.9 | 86% | 0.856 | 74% | 0.743 | S | S | * | * | trans | -56.4 | 122.2 | -177.2 | -77 | -27.3 | 0 | 0 | 0 | 110.7 | ||||
| 26 | P | 37.3 | Very low | 32.9 | Very low | 103 Ų | 103 | 123 Ų | 123 | 67% | 0.669 | 75% | 0.746 | S | S | * | * | trans | -71.6 | 139.4 | 161.8 | 29 | -30.4 | 0 | 0 | 0 | 109.3 | L24 V28 | L24-P26 WeakPolarHBondContact O-CD 3.39Å; P26-V28 PolarHBondContact O-N 3.22Å; P26-V28 VanDerWaalsContact O-N 3.09Å | ||
| 27 | I | 34 | Very low | 32.5 | Very low | 173 Ų | 173 | 125.9 Ų | 125.9 | 89% | 0.887 | 75% | 0.75 | S | S | * | * | trans | -69 | 105.5 | 168.1 | -65.6 | 175.1 | 0 | 0 | 0 | 106.7 | G29 | I27-G29 PolarHBondContact O-N 2.89Š| ||
| 28 | V | 32.7 | Very low | 32.7 | Very low | 126 Ų | 126 | 126.2 Ų | 126.2 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | trans | -75.5 | 109 | -180 | 179.4 | 0 | 0 | 0 | 0 | 109.5 | P26 | P26-V28 PolarHBondContact O-N 3.22Å; P26-V28 VanDerWaalsContact O-N 3.09Å | ||
| 29 | G | 30 | Very low | 32.4 | Very low | 71 Ų | 71 | 132.7 Ų | 132.7 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | trans | -102.4 | 107.3 | 156.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | I27 | I27-G29 PolarHBondContact O-N 2.89Š| ||
| 30 | G | 27.1 | Very low | 32.3 | Very low | 71 Ų | 71 | 136 Ų | 136 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | trans | -69 | 144.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 31 | V | 32.1 | Very low | 32.1 | Very low | 144 Ų | 144 | 136.8 Ų | 136.8 | 87% | 0.873 | 78% | 0.784 | S | S | * | * | trans | -135.8 | 124.9 | 160.2 | -170.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 32 | E | 27.6 | Very low | 31.3 | Very low | 192 Ų | 192 | 138.9 Ų | 138.9 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | -69.9 | 146.6 | 175.5 | -70.2 | 179.3 | 151 | 0 | 0 | 111.6 | ||||
| 33 | D | 28.2 | Very low | 31.1 | Very low | 153 Ų | 153 | 134.9 Ų | 134.9 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -64 | 125.6 | 177.6 | -172.5 | 15.7 | 0 | 0 | 0 | 112.1 | ||||
| 34 | M | 29 | Very low | 31 | Very low | 190 Ų | 190 | 134 Ų | 134 | 94% | 0.936 | 80% | 0.796 | S | S | * | * | trans | -147.8 | 99.8 | 158.9 | -85.8 | -147.5 | -109.5 | 0 | 0 | 111.4 | ||||
| 35 | G | 26.9 | Very low | 30.8 | Very low | 68 Ų | 68 | 135.9 Ų | 135.9 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | 63.8 | 106.3 | 127.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | N37 | G35-N37 PolarHBondContact O-N 3.26Š| |||
| 36 | L | 34.4 | Very low | 30.9 | Very low | 172 Ų | 172 | 130.8 Ų | 130.8 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | trans | -53.2 | 119.5 | 156.3 | -87.9 | 87 | 0 | 0 | 0 | 110.1 | ||||
| 37 | N | 26.5 | Very low | 30.7 | Very low | 145 Ų | 145 | 133.3 Ų | 133.3 | 78% | 0.775 | 81% | 0.813 | S | S | * | * | trans | -166.4 | 127.8 | 143.4 | -90.7 | -33.2 | 0 | 0 | 0 | 111.7 | G35 | G35-N37 PolarHBondContact O-N 3.26Š| ||
| 38 | N | 33.5 | Very low | 30.7 | Very low | 143 Ų | 143 | 130.7 Ų | 130.7 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | trans | 36.3 | 106 | 155.5 | -80.3 | -7.7 | 0 | 0 | 0 | 119.7 | ||||
| 39 | F | 29.7 | Very low | 30.8 | Very low | 207 Ų | 207 | 129.8 Ų | 129.8 | 91% | 0.908 | 81% | 0.805 | S | S | * | * | trans | -127.4 | 104.4 | 150.8 | -71.3 | -75.9 | 0 | 0 | 0 | 111.2 | A41 | F39-A41 PolarHBondContact O-N 3.25Š| ||
| 40 | H | 29.2 | Very low | 31.2 | Very low | 175 Ų | 175 | 131.4 Ų | 131.4 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -66.3 | 118.1 | 155 | -89.6 | -87.2 | 0 | 0 | 0 | 108.2 | V42 | H40-V42 PolarHBondContact O-N 2.87Š| ||
| 41 | A | 31.1 | Very low | 31.8 | Very low | 101 Ų | 101 | 133 Ų | 133 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | -70.9 | 114.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | F39 | F39-A41 PolarHBondContact O-N 3.25Š| ||
| 42 | V | 29.8 | Very low | 32.2 | Very low | 139 Ų | 139 | 132.5 Ų | 132.5 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | trans | -87.1 | 107.1 | 164.4 | 178.7 | 0 | 0 | 0 | 0 | 107 | H40 | H40-V42 PolarHBondContact O-N 2.87Š| ||
| 43 | A | 32.7 | Very low | 32.8 | Very low | 91 Ų | 91 | 125.3 Ų | 125.3 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | -80.7 | 134.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 44 | A | 31.8 | Very low | 33.9 | Very low | 88 Ų | 88 | 128.3 Ų | 128.3 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -72.3 | 148.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | G46 | A44-G46 PolarHBondContact O-N 2.99Š| ||
| 45 | P | 32.4 | Very low | 35.3 | Very low | 142 Ų | 142 | 124.9 Ų | 124.9 | 92% | 0.922 | 76% | 0.756 | S | S | * | * | trans | -80.5 | 88.3 | -174.5 | 32 | -31.4 | 0 | 0 | 0 | 110.4 | ||||
| 46 | G | 32.3 | Very low | 37.8 | Very low | 53 Ų | 53 | 130.5 Ų | 130.5 | 55% | 0.546 | 76% | 0.761 | S | S | . | * | trans | -112.9 | 125 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108 | A44 T48 | A44-G46 PolarHBondContact O-N 2.99Å; G46-T48 PolarHBondContact O-N 2.77Å | ||
| 47 | T | 34.6 | Very low | 40.4 | Very low | 155 Ų | 155 | 122.8 Ų | 122.8 | 95% | 0.951 | 72% | 0.722 | S | S | * | * | trans | -58.4 | 88.1 | -173.5 | -9.5 | 0 | 0 | 0 | 0 | 111.6 | S49 | T47-S49 PolarHBondContact O-N 3.31Š| ||
| 48 | T | 34.2 | Very low | 43.6 | Very low | 119 Ų | 119 | 119.4 Ų | 119.4 | 73% | 0.73 | 71% | 0.707 | S | S | * | * | trans | -79.7 | 104.3 | 163.7 | 39.7 | 0 | 0 | 0 | 0 | 107.4 | G46 V50 | G46-T48 PolarHBondContact O-N 2.77Å; T48-V50 PolarHBondContact O-N 2.96Å | ||
| 49 | S | 33.1 | Very low | 46.5 | Very low | 107 Ų | 107 | 116.9 Ų | 116.9 | 75% | 0.748 | 70% | 0.698 | S | S | * | * | trans | -65.2 | 88.2 | 162.1 | 51.3 | 0 | 0 | 0 | 0 | 107.7 | T47 V51 | T47-S49 PolarHBondContact O-N 3.31Å; S49-V51 PolarHBondContact O-N 3.2Å | ||
| 50 | V | 38.9 | Very low | 49.5 | Very low | 105 Ų | 105 | 109.5 Ų | 109.5 | 64% | 0.636 | 67% | 0.667 | S | S | * | * | trans | -64.2 | 103.6 | 164.6 | -174.6 | 0 | 0 | 0 | 0 | 105.7 | T48 T52 | T48-V50 PolarHBondContact O-N 2.96Å; V50-T52 VanDerWaalsContact C-N 3.27Å; V50-T52 HydrophobicContact CB-CG2 4.19Å; V50-T52 HydrophobicContact CG1-CG2 3.52Å; V50-T52 PolarHBondContact O-N 2.81Å | ||
| 51 | V | 40.2 | Very low | 52.4 | Low | 104 Ų | 104 | 109.8 Ų | 109.8 | 63% | 0.63 | 67% | 0.669 | S | S | * | * | trans | -68.8 | 92.8 | 171.3 | -179.6 | 0 | 0 | 0 | 0 | 106.7 | S49 G53 | S49-V51 PolarHBondContact O-N 3.2Å; V51-G53 VanDerWaalsContact C-N 3.28Å | ||
| 52 | T | 39.2 | Very low | 55.2 | Low | 133 Ų | 133 | 109.3 Ų | 109.3 | 82% | 0.816 | 65% | 0.651 | S | S | * | * | trans | -88.9 | 14.6 | 178.8 | 48.6 | 0 | 0 | 0 | 0 | 113.3 | V50 | V50-T52 VanDerWaalsContact C-N 3.27Å; V50-T52 HydrophobicContact CB-CG2 4.19Å; V50-T52 HydrophobicContact CG1-CG2 3.52Å; V50-T52 PolarHBondContact O-N 2.81Å | ||
| 53 | G | 40.6 | Very low | 58.1 | Low | 42 Ų | 42 | 114.6 Ų | 114.6 | 43% | 0.433 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -107.5 | 129.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | V51 N55 | V51-G53 VanDerWaalsContact C-N 3.28Å; G53-N55 PolarHBondContact O-N 3.09Å |
| 54 | R | 51.6 | Low | 60.8 | Low | 215 Ų | 215 | 113.7 Ų | 113.7 | 81% | 0.811 | 64% | 0.644 | S | S | * | * | trans | -57.9 | 93.9 | 156.1 | -96.3 | -177.5 | 172.9 | 166.9 | -1.7 | 106.7 | K56 | R54-K56 PolarHBondContact O-N 2.86Š| ||
| 55 | N | 59.4 | Low | 63.7 | Low | 119 Ų | 119 | 118.2 Ų | 118.2 | 64% | 0.636 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 125.8 | 163.4 | -79.3 | -22.6 | 0 | 0 | 0 | 105.8 | G53 A57 | G53-N55 PolarHBondContact O-N 3.09Å; N55-A57 PolarHBondContact O-N 3.27Å; N55-A57 VanDerWaalsContact O-N 3.12Å |
| 56 | K | 78.4 | Confident | 66.7 | Low | 185 Ų | 185 | 114.7 Ų | 114.7 | 80% | 0.804 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 122.7 | 178.7 | -173.7 | 178.3 | 179.4 | -178.1 | 0 | 107.7 | R54 T58 | R54-K56 PolarHBondContact O-N 2.86Å; K56-T58 PolarHBondContact O-N 3.42Å |
| 57 | A | 89.2 | Confident | 69.7 | Low | 10 Ų | 10 | 114 Ų | 114 | 8% | 0.083 | 61% | 0.609 | C | S | . | * | P | Polyproline II helix | trans | -52 | 138.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | N55 P59 E291 E293 | N55-A57 PolarHBondContact O-N 3.27Å; N55-A57 VanDerWaalsContact O-N 3.12Å; A57-P59 WeakPolarHBondContact O-CD 3.42Å; A57-E291 CarbonylContact C-O 3.58Å; A57-E291 WeakPolarHBondContact CA-O 3.28Å; A57-E291 HydrophobicContact CB-CB 3.86Å; A57-E293 HydrophobicContact CB-CB 4Å; A57-E293 HydrophobicContact CB-CG 3.76Å |
| 58 | T | 94.8 | Very high | 72.6 | Confident | 74 Ų | 74 | 109.6 Ų | 109.6 | 45% | 0.454 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.9 | 125.8 | -178.8 | -59.6 | 0 | 0 | 0 | 0 | 109.3 | K56 M60 E291 F292 E293 | K56-T58 PolarHBondContact O-N 3.42Å; T58-M60 PolarHBondContact O-N 3.34Å; T58-E291 PolarHBondContact N-O 3.04Å; T58-F292 HydrophobicContact CG2-CD1 4.16Å; T58-F292 HydrophobicContact CG2-CE1 4.29Å; T58-F292 CarbonylContact O-C 3.41Å; T58-F292 VanDerWaalsContact O-CA 3.24Å; T58-F292 WeakPolarHBondContact O-CA 3.1Å; T58-E293 PolarHBondContact O-N 3.33Å |
| 59 | P | 93.1 | Very high | 75.6 | Confident | 91 Ų | 91 | 110.8 Ų | 110.8 | 59% | 0.591 | 59% | 0.586 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -63.9 | 128.7 | 179.1 | -23.8 | 34.6 | 0 | 0 | 0 | 112.3 | A57 E293 | A57-P59 WeakPolarHBondContact O-CD 3.42Å; P59-E293 CarbonylContact C-O 3.53Å; P59-E293 VanDerWaalsContact CA-O 3.3Å; P59-E293 WeakPolarHBondContact CA-O 3.2Å |
| 60 | M | 92.8 | Very high | 78.7 | Confident | 51 Ų | 51 | 106.5 Ų | 106.5 | 25% | 0.251 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -91.4 | 142 | 170.7 | -63.2 | -171.7 | -75.7 | 0 | 0 | 111.1 | T58 F277 V279 F292 E293 C294 | T58-M60 PolarHBondContact O-N 3.34Å; M60-F277 HydrophobicContact CE-CD1 3.69Å; M60-F277 HydrophobicContact CE-CE1 4.05Å; M60-V279 HydrophobicContact CE-CB 4.46Å; M60-V279 HydrophobicContact CE-CG2 4Å; M60-V279 HydrophobicContact SD-CG2 4.49Å; M60-F292 HydrophobicContact CE-CB 4.05Å; M60-F292 HydrophobicContact CG-CB 3.65Å; M60-F292 HydrophobicContact CG-CD1 4.39Å; M60-F292 HydrophobicContact CG-CG 4.39Å; M60-F292 HydrophobicContact SD-CB 3.67Å; M60-F292 HydrophobicContact SD-CG 4.49Å; M60-E293 PolarHBondContact N-O 2.77Å; M60-C294 HydrophobicContact CB-CB 4.28Å; M60-C294 HydrophobicContact CE-CB 4.29Å; M60-C294 PolarHBondContact O-SG 2.89Å |
| 61 | Q | 89.8 | Confident | 81.6 | Confident | 181 Ų | 181 | 106.3 Ų | 106.3 | 85% | 0.846 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 134.6 | 171.9 | -65.4 | -170.6 | -7.4 | 0 | 0 | 110.9 | R63 | Q61-R63 PolarHBondContact O-N 2.99Š|
| 62 | I | 90.6 | Very high | 84.3 | Confident | 91 Ų | 91 | 103.8 Ų | 103.8 | 47% | 0.467 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 118 | 171.3 | -53.2 | 172.4 | 0 | 0 | 0 | 107.8 | C64 K65 V297 | I62-C64 WeakPolarHBondContact CG2-O 3.42Å; I62-K65 HydrophobicContact CG2-CB 4.32Å; I62-V297 HydrophobicContact CD1-CG2 3.24Å; I62-V297 HydrophobicContact CG1-CG2 3.85Å |
| 63 | R | 90 | Very high | 87.1 | Confident | 251 Ų | 251 | 105 Ų | 105 | 95% | 0.947 | 54% | 0.543 | S | S | * | . | trans | -84.2 | -42.1 | 172.6 | -68.5 | -163.4 | 178.2 | -178.7 | 3.6 | 112.6 | Q61 | Q61-R63 PolarHBondContact O-N 2.99Š| ||
| 64 | C | 90.4 | Very high | 89.8 | Confident | 72 Ų | 72 | 104 Ų | 104 | 49% | 0.486 | 53% | 0.532 | S | S | . | . | trans | -142.5 | 147.7 | 179 | -175 | 0 | 0 | 0 | 0 | 110.2 | I62 M106 | I62-C64 WeakPolarHBondContact CG2-O 3.42Å; C64-M106 PolarHBondContact SG-O 3.41Å; C64-M106 VanDerWaalsContact SG-O 3.36Å | ||
| 65 | K | 92.2 | Very high | 92 | Very high | 182 Ų | 182 | 96.5 Ų | 96.5 | 79% | 0.791 | 51% | 0.506 | S | S | * | . | trans | -143 | 130.8 | 168.2 | 174.8 | -175.2 | 174.1 | -177.6 | 0 | 107.3 | I62 | I62-K65 HydrophobicContact CG2-CB 4.32Š| ||
| 66 | F | 95.1 | Very high | 93.8 | Very high | 69 Ų | 69 | 92 Ų | 92 | 30% | 0.303 | 48% | 0.481 | S | S | . | . | trans | -136.4 | 167.2 | 178.1 | 62.9 | -88.1 | 0 | 0 | 0 | 111 | F76 I90 F103 | F66-F76 HydrophobicContact CD2-CE2 4.38Å; F66-F76 HydrophobicContact CD2-CZ 4.49Å; F66-F76 HydrophobicContact CE2-CE2 4.42Å; F66-F76 HydrophobicContact CE2-CZ 4.19Å; F66-I90 HydrophobicContact CE1-CD1 3.83Å; F66-I90 HydrophobicContact CZ-CD1 3.86Å; F66-I90 HydrophobicContact CZ-CG2 4.29Å; F66-F103 AromaticContact CD2-CD1 3.94Å; F66-F103 HydrophobicContact CD2-CD1 3.94Å; F66-F103 AromaticContact CD2-CE1 3.94Å; F66-F103 HydrophobicContact CD2-CE1 3.94Å; F66-F103 HydrophobicContact CD2-CG 4.4Å; F66-F103 HydrophobicContact CD2-CZ 4.41Å; F66-F103 HydrophobicContact CE2-CB 4.32Å; F66-F103 AromaticContact CE2-CD1 3.63Å; F66-F103 HydrophobicContact CE2-CD1 3.63Å; F66-F103 AromaticContact CE2-CD2 3.82Å; F66-F103 HydrophobicContact CE2-CD2 3.82Å; F66-F103 AromaticContact CE2-CE1 3.84Å; F66-F103 HydrophobicContact CE2-CE1 3.84Å; F66-F103 HydrophobicContact CE2-CE2 4.02Å; F66-F103 AromaticContact CE2-CG 3.64Å; F66-F103 HydrophobicContact CE2-CG 3.64Å; F66-F103 HydrophobicContact CE2-CZ 4.05Å; F66-F103 HydrophobicContact CZ-CB 4.36Å; F66-F103 HydrophobicContact CZ-CD1 4.44Å; F66-F103 HydrophobicContact CZ-CD2 4.36Å; F66-F103 HydrophobicContact CZ-CG 4.14Å | ||
| 67 | G | 95.9 | Very high | 94.7 | Very high | 37 Ų | 37 | 85.5 Ų | 85.5 | 38% | 0.381 | 46% | 0.455 | S | S | . | . | trans | 90.5 | 152.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | G74 | G67-G74 WeakPolarHBondContact CA-O 3.48Š| ||
| 68 | S | 96.1 | Very high | 95 | Very high | 63 Ų | 63 | 87.4 Ų | 87.4 | 44% | 0.441 | 47% | 0.467 | S | S | . | . | trans | -143.8 | 163.9 | 171.3 | 69.2 | 0 | 0 | 0 | 0 | 109.9 | G70 Q75 F76 | S68-G70 PolarHBondContact O-N 3.08Å; S68-Q75 CarbonylContact O-C 3.47Å; S68-Q75 VanDerWaalsContact O-CA 3.23Å; S68-Q75 WeakPolarHBondContact O-CA 3.41Å; S68-Q75 WeakPolarHBondContact O-CB 3.16Å; S68-Q75 WeakPolarHBondContact OG-CG 3.27Å; S68-Q75 PolarHBondContact OG-NE2 2.56Å; S68-F76 PolarHBondContact O-N 2.89Å | ||
| 69 | L | 97.3 | Very high | 95 | Very high | 144 Ų | 144 | 86.3 Ų | 86.3 | 75% | 0.754 | 46% | 0.462 | S | S | * | . | B | Isolated β-bridge | trans | -60.8 | 132.8 | 172.4 | -179.9 | 65.9 | 0 | 0 | 0 | 110.5 | F76 | L69-F76 CarbonylContact C-O 3.58Å; L69-F76 VanDerWaalsContact CA-O 3.31Å; L69-F76 WeakPolarHBondContact CA-O 3.35Å |
| 70 | G | 98.1 | Very high | 95.1 | Very high | 18 Ų | 18 | 84.5 Ų | 84.5 | 19% | 0.186 | 45% | 0.445 | C | S | . | . | S | Bend | trans | 153.3 | -169.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114 | S68 F76 N97 | S68-G70 PolarHBondContact O-N 3.08Å; G70-F76 PolarHBondContact N-O 2.91Å; G70-F76 CarbonylContact O-C 3.37Å; G70-N97 PolarHBondContact O-ND2 2.84Å |
| 71 | T | 98.1 | Very high | 95.2 | Very high | 100 Ų | 100 | 82.1 Ų | 82.1 | 61% | 0.613 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -117.6 | -8 | -176.4 | 61.8 | 0 | 0 | 0 | 0 | 113 | N97 R99 | T71-N97 WeakPolarHBondContact CG2-OD1 3.21Å; T71-R99 PolarHBondContact O-NH1 2.92Å; T71-R99 PolarHBondContact O-NH2 3.35Å |
| 72 | A | 98.4 | Very high | 95.6 | Very high | 52 Ų | 52 | 76.7 Ų | 76.7 | 43% | 0.43 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -71.8 | 168.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | G74 Q75 R99 | A72-G74 PolarHBondContact O-N 2.98Å; A72-Q75 HydrophobicContact CB-CG 4.09Å; A72-Q75 VanDerWaalsContact CB-OE1 3.24Å; A72-Q75 VanDerWaalsContact N-OE1 3.11Å; A72-Q75 WeakPolarHBondContact O-CB 3.32Å; A72-Q75 PolarHBondContact O-N 3.18Å; A72-R99 PolarHBondContact O-NH2 2.9Å |
| 73 | K | 97.3 | Very high | 95.9 | Very high | 159 Ų | 159 | 72.9 Ų | 72.9 | 69% | 0.691 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 131.4 | 176.8 | -70.7 | -175.2 | -179.9 | -177.5 | 0 | 110.9 | Q75 L109 | K73-Q75 PolarHBondContact O-N 2.89Å; K73-L109 HydrophobicContact CB-CD2 3.63Å; K73-L109 HydrophobicContact CD-CD2 4.42Å; K73-L109 HydrophobicContact CG-CD2 4.27Å |
| 74 | G | 96.8 | Very high | 96.2 | Very high | 19 Ų | 19 | 62.4 Ų | 62.4 | 20% | 0.196 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 6.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | G67 A72 E101 | G67-G74 WeakPolarHBondContact CA-O 3.48Å; A72-G74 PolarHBondContact O-N 2.98Å; G74-E101 VanDerWaalsContact CA-OE2 3.26Å; G74-E101 WeakPolarHBondContact CA-OE2 3.36Å; G74-E101 PolarHBondContact N-OE2 2.97Å |
| 75 | Q | 98.4 | Very high | 96.5 | Very high | 59 Ų | 59 | 59.2 Ų | 59.2 | 28% | 0.276 | 33% | 0.331 | S | S | . | . | trans | -104.6 | 150.5 | 169.6 | -57.6 | -170.6 | -42.6 | 0 | 0 | 109.7 | S68 A72 K73 R99 | S68-Q75 CarbonylContact O-C 3.47Å; S68-Q75 VanDerWaalsContact O-CA 3.23Å; S68-Q75 WeakPolarHBondContact O-CA 3.41Å; S68-Q75 WeakPolarHBondContact O-CB 3.16Å; S68-Q75 WeakPolarHBondContact OG-CG 3.27Å; S68-Q75 PolarHBondContact OG-NE2 2.56Å; A72-Q75 HydrophobicContact CB-CG 4.09Å; A72-Q75 VanDerWaalsContact CB-OE1 3.24Å; A72-Q75 VanDerWaalsContact N-OE1 3.11Å; A72-Q75 WeakPolarHBondContact O-CB 3.32Å; A72-Q75 PolarHBondContact O-N 3.18Å; K73-Q75 PolarHBondContact O-N 2.89Å; Q75-R99 PolarHBondContact O-NH2 3.2Å | ||
| 76 | F | 97.9 | Very high | 96.4 | Very high | 23 Ų | 23 | 54 Ų | 54 | 10% | 0.101 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -121.8 | 153.8 | -175.5 | -55.9 | -67.9 | 0 | 0 | 0 | 112 | F66 S68 L69 G70 P79 V92 D94 E101 F103 | F66-F76 HydrophobicContact CD2-CE2 4.38Å; F66-F76 HydrophobicContact CD2-CZ 4.49Å; F66-F76 HydrophobicContact CE2-CE2 4.42Å; F66-F76 HydrophobicContact CE2-CZ 4.19Å; S68-F76 PolarHBondContact O-N 2.89Å; L69-F76 CarbonylContact C-O 3.58Å; L69-F76 VanDerWaalsContact CA-O 3.31Å; L69-F76 WeakPolarHBondContact CA-O 3.35Å; G70-F76 PolarHBondContact N-O 2.91Å; G70-F76 CarbonylContact O-C 3.37Å; F76-P79 HydrophobicContact CB-CB 4.31Å; F76-P79 HydrophobicContact CB-CG 3.99Å; F76-P79 HydrophobicContact CD1-CB 4.38Å; F76-P79 HydrophobicContact CG-CB 4.37Å; F76-P79 HydrophobicContact CG-CG 4.28Å; F76-V92 HydrophobicContact CD1-CG1 4.25Å; F76-V92 HydrophobicContact CE1-CB 4.14Å; F76-V92 HydrophobicContact CE1-CG1 3.88Å; F76-V92 HydrophobicContact CE1-CG2 4.46Å; F76-V92 HydrophobicContact CZ-CG1 4.48Å; F76-V92 HydrophobicContact CZ-CG2 4.47Å; F76-D94 WeakPolarHBondContact CA-OD1 3.13Å; F76-D94 HydrophobicContact CD1-CB 4.22Å; F76-E101 HydrophobicContact CE1-CB 4.34Å; F76-F103 AromaticContact CE1-CE2 3.76Å; F76-F103 HydrophobicContact CE1-CE2 3.76Å; F76-F103 AromaticContact CE1-CZ 3.74Å; F76-F103 HydrophobicContact CE1-CZ 3.74Å; F76-F103 HydrophobicContact CE2-CZ 4.37Å; F76-F103 HydrophobicContact CZ-CE1 4.3Å; F76-F103 AromaticContact CZ-CE2 3.5Å; F76-F103 HydrophobicContact CZ-CE2 3.5Å; F76-F103 VanDerWaalsContact CZ-CE2 3.5Å; F76-F103 AromaticContact CZ-CZ 3.32Å; F76-F103 HydrophobicContact CZ-CZ 3.32Å |
| 77 | N | 97.1 | Very high | 96.3 | Very high | 49 Ų | 49 | 56.4 Ų | 56.4 | 26% | 0.262 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -132.5 | 99.7 | 166.7 | -169.9 | -8.4 | 0 | 0 | 0 | 108.7 | D94 N96 N97 | N77-D94 PolarHBondContact N-OD1 3.28Å; N77-N96 HydrophobicContact CB-CB 3.84Å; N77-N96 VanDerWaalsContact O-CB 3.31Å; N77-N96 WeakPolarHBondContact O-CB 3.25Å; N77-N96 PolarHBondContact O-N 2.78Å; N77-N96 WeakPolarHBondContact OD1-CB 3.38Å; N77-N96 PolarHBondContact OD1-ND2 3.26Å; N77-N96 VanDerWaalsContact OD1-ND2 3.17Å; N77-N97 WeakPolarHBondContact CB-OD1 3.41Å; N77-N97 PolarHBondContact N-ND2 2.87Å |
| 78 | S | 94.8 | Very high | 96.2 | Very high | 50 Ų | 50 | 56 Ų | 56 | 35% | 0.35 | 32% | 0.319 | S | S | . | . | trans | 54.8 | 71 | -175.3 | -59.9 | 0 | 0 | 0 | 0 | 113.8 | H80 T95 N96 | S78-H80 PolarHBondContact O-CD2 3.3Å; S78-H80 PolarHBondContact O-N 2.89Å; S78-T95 WeakPolarHBondContact O-CB 3.37Å; S78-T95 PolarHBondContact O-N 2.86Å; S78-T95 PolarHBondContact O-OG1 3.17Å; S78-T95 VanDerWaalsContact O-OG1 3.08Å; S78-N96 PolarHBondContact OG-ND2 2.94Å | ||
| 79 | P | 95.9 | Very high | 96.3 | Very high | 52 Ų | 52 | 54.6 Ų | 54.6 | 34% | 0.338 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 96.6 | 176.5 | 30.5 | -32.8 | 0 | 0 | 0 | 110.8 | F76 V92 A93 C303 | F76-P79 HydrophobicContact CB-CB 4.31Å; F76-P79 HydrophobicContact CB-CG 3.99Å; F76-P79 HydrophobicContact CD1-CB 4.38Å; F76-P79 HydrophobicContact CG-CB 4.37Å; F76-P79 HydrophobicContact CG-CG 4.28Å; P79-V92 HydrophobicContact CB-CG1 3.61Å; P79-A93 WeakPolarHBondContact CA-O 3.5Å; P79-C303 PolarHBondContact O-SG 3.15Å; P79-C303 VanDerWaalsContact O-SG 3.4Å |
| 80 | H | 94 | Very high | 96.3 | Very high | 52 Ų | 52 | 49.3 Ų | 49.3 | 24% | 0.241 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -11.7 | -171.3 | -79.9 | -84.1 | 0 | 0 | 0 | 115.6 | S78 A93 T95 R127 | S78-H80 PolarHBondContact O-CD2 3.3Å; S78-H80 PolarHBondContact O-N 2.89Å; H80-A93 PolarHBondContact N-O 2.87Å; H80-T95 WeakPolarHBondContact CB-OG1 3.43Å; H80-T95 PolarHBondContact CD2-OG1 3.45Å; H80-T95 PolarHBondContact N-OG1 3.33Å; H80-R127 CarbonylContact C-O 3.57Å |
| 81 | G | 95 | Very high | 96.3 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 148.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A93 R127 | G81-A93 PolarHBondContact O-N 3.47Å; G81-R127 WeakPolarHBondContact CA-O 3.37Å; G81-R127 PolarHBondContact N-O 2.86Å |
| 82 | F | 97.7 | Very high | 96.3 | Very high | 66 Ų | 66 | 44.2 Ų | 44.2 | 29% | 0.289 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 162.1 | 173.5 | 77.9 | -77.6 | 0 | 0 | 0 | 110.6 | I90 I91 V92 K306 | F82-I90 HydrophobicContact CD2-CG2 4.38Å; F82-I91 CarbonylContact C-O 3.55Å; F82-I91 WeakPolarHBondContact CA-O 3.4Å; F82-I91 VanDerWaalsContact CB-O 3.27Å; F82-I91 WeakPolarHBondContact CB-O 3.42Å; F82-V92 HydrophobicContact CB-CG2 4.22Å; F82-K306 HydrophobicContact CD2-CG 4.46Å; F82-K306 HydrophobicContact CE2-CB 3.95Å; F82-K306 HydrophobicContact CE2-CG 3.78Å; F82-K306 HydrophobicContact CZ-CB 4.4Å; F82-K306 HydrophobicContact CZ-CG 4.17Å |
| 83 | C | 97.5 | Very high | 96.3 | Very high | 12 Ų | 12 | 41.7 Ų | 41.7 | 8% | 0.081 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 173.7 | 169.4 | 63.9 | 0 | 0 | 0 | 0 | 110.2 | I91 V129 A130 | C83-I91 PolarHBondContact N-O 2.9Å; C83-I91 PolarHBondContact O-N 3.09Å; C83-V129 WeakPolarHBondContact CB-O 3.36Å; C83-V129 PolarHBondContact SG-O 3.07Å; C83-A130 VanDerWaalsContact SG-CA 3.55Å |
| 84 | L | 97 | Very high | 96.4 | Very high | 30 Ų | 30 | 34.1 Ų | 34.1 | 16% | 0.157 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 142.5 | 170.2 | -63.4 | 179.4 | 0 | 0 | 0 | 110.7 | E89 I90 K306 I307 T308 | L84-E89 CarbonylContact C-O 3.58Å; L84-E89 VanDerWaalsContact CA-O 3.28Å; L84-E89 WeakPolarHBondContact CA-O 3.34Å; L84-I90 HydrophobicContact CD2-CG1 4.11Å; L84-K306 HydrophobicContact CD1-CB 3.79Å; L84-K306 HydrophobicContact CG-CB 3.8Å; L84-K306 HydrophobicContact CG-CG 4.31Å; L84-I307 WeakPolarHBondContact CD1-O 3.31Å; L84-T308 HydrophobicContact CD1-CG2 3.85Å |
| 85 | G | 95.8 | Very high | 96.5 | Very high | 5 Ų | 5 | 33.3 Ų | 33.3 | 5% | 0.052 | 18% | 0.18 | C | C | . | . | trans | -82.9 | -175.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D87 E88 E89 I91 | G85-D87 VanDerWaalsContact C-N 3.31Å; G85-D87 PolarHBondContact O-N 2.88Å; G85-E88 PolarHBondContact O-N 3.47Å; G85-E89 PolarHBondContact N-O 2.87Å; G85-I91 VanDerWaalsContact N-CD1 3.34Å | ||
| 86 | V | 90.9 | Very high | 96.4 | Very high | 73 Ų | 73 | 33.4 Ų | 33.4 | 44% | 0.442 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -38.4 | 179.4 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | E88 V131 | V86-E88 VanDerWaalsContact C-N 3.34Å; V86-V131 HydrophobicContact CG2-CG1 4.24Å |
| 87 | D | 91.9 | Very high | 96.5 | Very high | 120 Ų | 120 | 33.7 Ų | 33.7 | 64% | 0.642 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 28.9 | 178.6 | -60 | -38.5 | 0 | 0 | 0 | 111.9 | G85 E89 | G85-D87 VanDerWaalsContact C-N 3.31Å; G85-D87 PolarHBondContact O-N 2.88Å; D87-E89 HydrophobicContact CB-CG 4.42Å; D87-E89 PolarHBondContact O-N 3.1Å; D87-E89 VanDerWaalsContact O-N 3.13Å |
| 88 | E | 94.8 | Very high | 96.5 | Very high | 29 Ų | 29 | 32.4 Ų | 32.4 | 14% | 0.136 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 57.8 | 25 | -176.3 | -50.1 | -176.6 | 145.8 | 0 | 0 | 114.3 | G85 V86 K105 T308 S309 | G85-E88 PolarHBondContact O-N 3.47Å; V86-E88 VanDerWaalsContact C-N 3.34Å; E88-K105 HydrophobicContact CB-CB 4.33Å; E88-T308 HydrophobicContact CB-CG2 4.41Å; E88-T308 WeakPolarHBondContact OE1-CB 3.42Å; E88-S309 WeakPolarHBondContact OE1-CA 3.44Å; E88-S309 WeakPolarHBondContact OE1-CB 3.43Å; E88-S309 PolarHBondContact OE1-N 3.17Å; E88-S309 PolarHBondContact OE1-OG 3.27Å |
| 89 | E | 97.2 | Very high | 96.7 | Very high | 32 Ų | 32 | 31 Ų | 31 | 15% | 0.15 | 16% | 0.164 | C | C | . | . | trans | -58.9 | 144.8 | 167.7 | -62.2 | 157.7 | 116.7 | 0 | 0 | 109.3 | L84 G85 D87 I91 V102 F103 K110 | L84-E89 CarbonylContact C-O 3.58Å; L84-E89 VanDerWaalsContact CA-O 3.28Å; L84-E89 WeakPolarHBondContact CA-O 3.34Å; G85-E89 PolarHBondContact N-O 2.87Å; D87-E89 HydrophobicContact CB-CG 4.42Å; D87-E89 PolarHBondContact O-N 3.1Å; D87-E89 VanDerWaalsContact O-N 3.13Å; E89-I91 HydrophobicContact CB-CD1 3.83Å; E89-I91 WeakPolarHBondContact O-CD1 3.39Å; E89-V102 HydrophobicContact CB-CG1 4.18Å; E89-F103 CarbonylContact C-O 3.56Å; E89-F103 WeakPolarHBondContact CA-O 3.33Å; E89-F103 WeakPolarHBondContact CB-O 3.31Å; E89-K110 HydrophobicContact CG-CD 4.23Å; E89-K110 IonicContact OE1-NZ 3.62Å; E89-K110 PolarHBondContact OE1-NZ 2.81Å | ||
| 90 | I | 97.9 | Very high | 96.8 | Very high | 33 Ų | 33 | 28.5 Ų | 28.5 | 17% | 0.169 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 111.8 | 177.2 | -55 | 168.7 | 0 | 0 | 0 | 107.3 | F66 F82 L84 V92 F103 | F66-I90 HydrophobicContact CE1-CD1 3.83Å; F66-I90 HydrophobicContact CZ-CD1 3.86Å; F66-I90 HydrophobicContact CZ-CG2 4.29Å; F82-I90 HydrophobicContact CD2-CG2 4.38Å; L84-I90 HydrophobicContact CD2-CG1 4.11Å; I90-V92 HydrophobicContact CG2-CG2 3.96Å; I90-F103 HydrophobicContact CB-CB 4.29Å; I90-F103 PolarHBondContact N-O 2.92Å; I90-F103 PolarHBondContact O-N 3.16Å |
| 91 | I | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 120.4 | -179.6 | -60.1 | 65.3 | 0 | 0 | 0 | 107.8 | F82 C83 G85 E89 I100 V102 V129 V131 F138 | F82-I91 CarbonylContact C-O 3.55Å; F82-I91 WeakPolarHBondContact CA-O 3.4Å; F82-I91 VanDerWaalsContact CB-O 3.27Å; F82-I91 WeakPolarHBondContact CB-O 3.42Å; C83-I91 PolarHBondContact N-O 2.9Å; C83-I91 PolarHBondContact O-N 3.09Å; G85-I91 VanDerWaalsContact N-CD1 3.34Å; E89-I91 HydrophobicContact CB-CD1 3.83Å; E89-I91 WeakPolarHBondContact O-CD1 3.39Å; I91-I100 HydrophobicContact CG2-CG2 3.43Å; I91-I100 VanDerWaalsContact CG2-CG2 3.43Å; I91-V102 HydrophobicContact CG1-CG1 4.31Å; I91-V102 HydrophobicContact CG1-CG2 4.28Å; I91-V102 HydrophobicContact CG2-CG2 4.39Å; I91-V129 HydrophobicContact CG2-CB 4.38Å; I91-V129 HydrophobicContact CG2-CG1 3.93Å; I91-V129 HydrophobicContact CG2-CG2 3.57Å; I91-V131 HydrophobicContact CD1-CG2 3.95Å; I91-V131 HydrophobicContact CG1-CG2 3.94Å; I91-F138 HydrophobicContact CG1-CD1 4.15Å; I91-F138 HydrophobicContact CG1-CE1 3.64Å; I91-F138 HydrophobicContact CG2-CD1 4.19Å; I91-F138 HydrophobicContact CG2-CE1 4.31Å |
| 92 | V | 98.6 | Very high | 97.2 | Very high | 11 Ų | 11 | 26 Ų | 26 | 7% | 0.067 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 129 | -174.2 | -175.5 | 0 | 0 | 0 | 0 | 110.4 | F76 P79 F82 I90 D94 I100 E101 F103 | F76-V92 HydrophobicContact CD1-CG1 4.25Å; F76-V92 HydrophobicContact CE1-CB 4.14Å; F76-V92 HydrophobicContact CE1-CG1 3.88Å; F76-V92 HydrophobicContact CE1-CG2 4.46Å; F76-V92 HydrophobicContact CZ-CG1 4.48Å; F76-V92 HydrophobicContact CZ-CG2 4.47Å; P79-V92 HydrophobicContact CB-CG1 3.61Å; F82-V92 HydrophobicContact CB-CG2 4.22Å; I90-V92 HydrophobicContact CG2-CG2 3.96Å; V92-D94 PolarHBondContact O-N 2.83Å; V92-I100 VanDerWaalsContact O-CA 3.32Å; V92-I100 WeakPolarHBondContact O-CA 3.49Å; V92-E101 PolarHBondContact N-O 3.08Å; V92-E101 PolarHBondContact O-N 2.99Å; V92-F103 HydrophobicContact CG2-CD2 4.23Å; V92-F103 HydrophobicContact CG2-CE2 4.14Å |
| 93 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 103.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | P79 H80 G81 T95 I100 P126 V129 | P79-A93 WeakPolarHBondContact CA-O 3.5Å; H80-A93 PolarHBondContact N-O 2.87Å; G81-A93 PolarHBondContact O-N 3.47Å; A93-T95 PolarHBondContact O-N 2.83Å; A93-I100 HydrophobicContact CB-CD1 3.87Å; A93-P126 HydrophobicContact CB-CB 4.2Å; A93-V129 HydrophobicContact CB-CG1 4.14Å |
| 94 | D | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 84.8 | -179.1 | -174 | 13.8 | 0 | 0 | 0 | 109.9 | F76 N77 V92 N96 N97 H98 R99 | F76-D94 WeakPolarHBondContact CA-OD1 3.13Å; F76-D94 HydrophobicContact CD1-CB 4.22Å; N77-D94 PolarHBondContact N-OD1 3.28Å; V92-D94 PolarHBondContact O-N 2.83Å; D94-N96 PolarHBondContact O-N 2.81Å; D94-N97 HydrophobicContact CB-CB 4.45Å; D94-N97 CarbonylContact O-C 3.54Å; D94-N97 PolarHBondContact O-N 2.82Å; D94-N97 WeakPolarHBondContact OD2-CB 3.33Å; D94-N97 PolarHBondContact OD2-ND2 3.02Å; D94-H98 PolarHBondContact O-N 2.83Å; D94-H98 VanDerWaalsContact O-N 3.08Å; D94-R99 HydrophobicContact CB-CG 3.89Å; D94-R99 PolarHBondContact N-O 2.94Å; D94-R99 PolarHBondContact O-N 2.84Å; D94-R99 IonicContact OD2-CZ 3.6Å; D94-R99 IonicContact OD2-NE 2.63Å; D94-R99 PolarHBondContact OD2-NE 2.78Å; D94-R99 VanDerWaalsContact OD2-NE 3.09Å; D94-R99 IonicContact OD2-NH2 2.64Å; D94-R99 PolarHBondContact OD2-NH2 2.62Å |
| 95 | T | 97.9 | Very high | 97 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -61 | -52.4 | -157.1 | -54.4 | 0 | 0 | 0 | 0 | 113.4 | S78 H80 A93 N97 H98 Y125 P126 R127 | S78-T95 WeakPolarHBondContact O-CB 3.37Å; S78-T95 PolarHBondContact O-N 2.86Å; S78-T95 PolarHBondContact O-OG1 3.17Å; S78-T95 VanDerWaalsContact O-OG1 3.08Å; H80-T95 WeakPolarHBondContact CB-OG1 3.43Å; H80-T95 PolarHBondContact CD2-OG1 3.45Å; H80-T95 PolarHBondContact N-OG1 3.33Å; A93-T95 PolarHBondContact O-N 2.83Å; T95-N97 VanDerWaalsContact C-N 3.26Å; T95-N97 PolarHBondContact O-N 2.83Å; T95-H98 PolarHBondContact O-N 2.92Å; T95-H98 VanDerWaalsContact O-N 3.15Å; T95-Y125 HydrophobicContact CG2-CD1 4.15Å; T95-Y125 WeakPolarHBondContact O-CA 3.42Å; T95-P126 WeakPolarHBondContact CA-O 3.49Å; T95-P126 VanDerWaalsContact CB-O 3.28Å; T95-P126 WeakPolarHBondContact CB-O 3.43Å; T95-P126 WeakPolarHBondContact CG2-O 3.17Å; T95-P126 PolarHBondContact OG1-O 2.83Å; T95-R127 HydrophobicContact CG2-CG 4.41Å |
| 96 | N | 97.9 | Very high | 96.8 | Very high | 61 Ų | 61 | 35.2 Ų | 35.2 | 33% | 0.326 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -79.7 | -10.7 | -176.6 | -70.7 | -19.5 | 0 | 0 | 0 | 113.1 | N77 S78 D94 H98 | N77-N96 HydrophobicContact CB-CB 3.84Å; N77-N96 VanDerWaalsContact O-CB 3.31Å; N77-N96 WeakPolarHBondContact O-CB 3.25Å; N77-N96 PolarHBondContact O-N 2.78Å; N77-N96 WeakPolarHBondContact OD1-CB 3.38Å; N77-N96 PolarHBondContact OD1-ND2 3.26Å; N77-N96 VanDerWaalsContact OD1-ND2 3.17Å; S78-N96 PolarHBondContact OG-ND2 2.94Å; D94-N96 PolarHBondContact O-N 2.81Å; N96-H98 PolarHBondContact O-CD2 2.85Å; N96-H98 VanDerWaalsContact O-CD2 3.22Å |
| 97 | N | 98.6 | Very high | 97 | Very high | 28 Ų | 28 | 32.3 Ų | 32.3 | 15% | 0.15 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -93.7 | 1.1 | 169.4 | -70 | -23.4 | 0 | 0 | 0 | 112.4 | G70 T71 N77 D94 T95 R99 | G70-N97 PolarHBondContact O-ND2 2.84Å; T71-N97 WeakPolarHBondContact CG2-OD1 3.21Å; N77-N97 WeakPolarHBondContact CB-OD1 3.41Å; N77-N97 PolarHBondContact N-ND2 2.87Å; D94-N97 HydrophobicContact CB-CB 4.45Å; D94-N97 CarbonylContact O-C 3.54Å; D94-N97 PolarHBondContact O-N 2.82Å; D94-N97 WeakPolarHBondContact OD2-CB 3.33Å; D94-N97 PolarHBondContact OD2-ND2 3.02Å; T95-N97 VanDerWaalsContact C-N 3.26Å; T95-N97 PolarHBondContact O-N 2.83Å; N97-R99 VanDerWaalsContact C-N 3.27Å; N97-R99 HydrophobicContact CB-CG 4.03Å; N97-R99 PolarHBondContact O-N 3.02Å |
| 98 | H | 98.4 | Very high | 97.3 | Very high | 22 Ų | 22 | 29 Ų | 29 | 10% | 0.102 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 38.8 | 174.1 | -53.6 | -96.8 | 0 | 0 | 0 | 113.5 | D94 T95 N96 A116 L123 W124 Y125 | D94-H98 PolarHBondContact O-N 2.83Å; D94-H98 VanDerWaalsContact O-N 3.08Å; T95-H98 PolarHBondContact O-N 2.92Å; T95-H98 VanDerWaalsContact O-N 3.15Å; N96-H98 PolarHBondContact O-CD2 2.85Å; N96-H98 VanDerWaalsContact O-CD2 3.22Å; H98-A116 HydrophobicContact CB-CB 3.73Å; H98-L123 WeakPolarHBondContact O-CB 3.38Å; H98-W124 AromaticContact CE1-CD2 3.8Å; H98-W124 AromaticContact CE1-CE3 3.39Å; H98-W124 AromaticContact CE1-CH2 3.88Å; H98-W124 AromaticContact CE1-CZ3 3.43Å; H98-W124 VanDerWaalsContact CE1-CZ3 3.43Å; H98-W124 WeakPolarHBondContact CE1-CZ3 3.45Å; H98-W124 AromaticContact ND1-CD2 3.86Å; H98-W124 AromaticContact ND1-CE3 3.34Å; H98-W124 VanDerWaalsContact ND1-CE3 3.34Å; H98-W124 AromaticContact ND1-CZ3 3.77Å; H98-Y125 AromaticContact CE1-CD1 3.8Å; H98-Y125 AromaticContact CE1-CD2 3.82Å; H98-Y125 AromaticContact CE1-CE1 3.62Å; H98-Y125 AromaticContact CE1-CE2 3.65Å; H98-Y125 AromaticContact CE1-CG 3.91Å; H98-Y125 AromaticContact CE1-CZ 3.54Å; H98-Y125 PolarHBondContact ND1-N 2.93Å; H98-Y125 VanDerWaalsContact ND1-N 3.19Å; H98-Y125 AromaticContact NE2-CE1 3.84Å; H98-Y125 AromaticContact NE2-CZ 3.94Å |
| 99 | R | 98.7 | Very high | 97.4 | Very high | 21 Ų | 21 | 30.4 Ų | 30.4 | 8% | 0.079 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 166.2 | -175.5 | 69.6 | -177.1 | -178.2 | -162 | 5.6 | 112.5 | T71 A72 Q75 D94 N97 E101 F113 | T71-R99 PolarHBondContact O-NH1 2.92Å; T71-R99 PolarHBondContact O-NH2 3.35Å; A72-R99 PolarHBondContact O-NH2 2.9Å; Q75-R99 PolarHBondContact O-NH2 3.2Å; D94-R99 HydrophobicContact CB-CG 3.89Å; D94-R99 PolarHBondContact N-O 2.94Å; D94-R99 PolarHBondContact O-N 2.84Å; D94-R99 IonicContact OD2-CZ 3.6Å; D94-R99 IonicContact OD2-NE 2.63Å; D94-R99 PolarHBondContact OD2-NE 2.78Å; D94-R99 VanDerWaalsContact OD2-NE 3.09Å; D94-R99 IonicContact OD2-NH2 2.64Å; D94-R99 PolarHBondContact OD2-NH2 2.62Å; N97-R99 VanDerWaalsContact C-N 3.27Å; N97-R99 HydrophobicContact CB-CG 4.03Å; N97-R99 PolarHBondContact O-N 3.02Å; R99-E101 HydrophobicContact CG-CG 4.43Å; R99-E101 IonicContact CZ-OE1 3.09Å; R99-E101 IonicContact NE-OE1 3.45Å; R99-E101 PolarHBondContact NE-OE1 3.4Å; R99-E101 IonicContact NH2-OE1 3.63Å; R99-E101 PolarHBondContact NH2-OE1 3.22Å; R99-F113 WeakPolarHBondContact CA-O 3.37Å; R99-F113 WeakPolarHBondContact CB-O 3.42Å |
| 100 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 135.5 | 165.8 | -55 | -55.7 | 0 | 0 | 0 | 108.2 | I91 V92 A93 V102 Q112 F113 L123 P126 V129 V140 | I91-I100 HydrophobicContact CG2-CG2 3.43Å; I91-I100 VanDerWaalsContact CG2-CG2 3.43Å; V92-I100 VanDerWaalsContact O-CA 3.32Å; V92-I100 WeakPolarHBondContact O-CA 3.49Å; A93-I100 HydrophobicContact CB-CD1 3.87Å; I100-V102 HydrophobicContact CG2-CG2 4.48Å; I100-Q112 CarbonylContact O-C 3.19Å; I100-Q112 VanDerWaalsContact O-CA 3.22Å; I100-Q112 WeakPolarHBondContact O-CA 3.33Å; I100-Q112 WeakPolarHBondContact O-CB 3.44Å; I100-F113 HydrophobicContact CB-CD1 4.09Å; I100-F113 HydrophobicContact CB-CD2 4.41Å; I100-F113 HydrophobicContact CB-CE1 3.61Å; I100-F113 HydrophobicContact CB-CE2 3.95Å; I100-F113 HydrophobicContact CB-CG 4.48Å; I100-F113 HydrophobicContact CB-CZ 3.53Å; I100-F113 HydrophobicContact CG1-CE1 4.28Å; I100-F113 HydrophobicContact CG1-CE2 3.79Å; I100-F113 HydrophobicContact CG1-CZ 3.67Å; I100-F113 HydrophobicContact CG2-CD1 4.39Å; I100-F113 HydrophobicContact CG2-CE1 3.58Å; I100-F113 HydrophobicContact CG2-CZ 3.7Å; I100-F113 PolarHBondContact N-O 2.82Å; I100-F113 PolarHBondContact O-N 3.42Å; I100-L123 HydrophobicContact CD1-CD1 4.37Å; I100-L123 HydrophobicContact CG1-CD1 3.84Å; I100-P126 HydrophobicContact CD1-CB 4.02Å; I100-P126 HydrophobicContact CD1-CG 4.31Å; I100-V129 HydrophobicContact CD1-CB 4.41Å; I100-V140 HydrophobicContact CD1-CG1 3.92Å; I100-V140 HydrophobicContact CD1-CG2 4.11Å; I100-V140 HydrophobicContact CG1-CG1 4.36Å; I100-V140 HydrophobicContact CG1-CG2 3.91Å |
| 101 | E | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 138.4 | 171.3 | -67.4 | -162.5 | -132.8 | 0 | 0 | 110.6 | G74 F76 V92 R99 F103 L109 Q112 | G74-E101 VanDerWaalsContact CA-OE2 3.26Å; G74-E101 WeakPolarHBondContact CA-OE2 3.36Å; G74-E101 PolarHBondContact N-OE2 2.97Å; F76-E101 HydrophobicContact CE1-CB 4.34Å; V92-E101 PolarHBondContact N-O 3.08Å; V92-E101 PolarHBondContact O-N 2.99Å; R99-E101 HydrophobicContact CG-CG 4.43Å; R99-E101 IonicContact CZ-OE1 3.09Å; R99-E101 IonicContact NE-OE1 3.45Å; R99-E101 PolarHBondContact NE-OE1 3.4Å; R99-E101 IonicContact NH2-OE1 3.63Å; R99-E101 PolarHBondContact NH2-OE1 3.22Å; E101-F103 HydrophobicContact CB-CD2 4.39Å; E101-F103 HydrophobicContact CB-CE2 3.45Å; E101-F103 VanDerWaalsContact CB-CE2 3.45Å; E101-F103 HydrophobicContact CB-CZ 3.84Å; E101-F103 WeakPolarHBondContact OE2-CZ 3.37Å; E101-L109 HydrophobicContact CB-CD1 4.13Å; E101-L109 HydrophobicContact CG-CD1 4.48Å; E101-L109 VanDerWaalsContact OE2-CD1 3.32Å; E101-L109 WeakPolarHBondContact OE2-CD1 3.29Å; E101-Q112 HydrophobicContact CG-CB 3.9Å |
| 102 | V | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 122 | -178.5 | -175 | 0 | 0 | 0 | 0 | 109 | E89 I91 I100 K110 F111 F113 F138 | E89-V102 HydrophobicContact CB-CG1 4.18Å; I91-V102 HydrophobicContact CG1-CG1 4.31Å; I91-V102 HydrophobicContact CG1-CG2 4.28Å; I91-V102 HydrophobicContact CG2-CG2 4.39Å; I100-V102 HydrophobicContact CG2-CG2 4.48Å; V102-K110 WeakPolarHBondContact O-CB 3.49Å; V102-K110 PolarHBondContact O-N 2.75Å; V102-F111 HydrophobicContact CB-CD1 4.02Å; V102-F111 HydrophobicContact CB-CE1 3.72Å; V102-F111 HydrophobicContact CB-CE2 4.45Å; V102-F111 HydrophobicContact CB-CG 4.49Å; V102-F111 HydrophobicContact CB-CZ 3.97Å; V102-F111 HydrophobicContact CG1-CD1 4.37Å; V102-F111 HydrophobicContact CG1-CE1 3.78Å; V102-F111 HydrophobicContact CG1-CZ 4.22Å; V102-F111 HydrophobicContact CG2-CD1 4.47Å; V102-F111 HydrophobicContact CG2-CD2 4.43Å; V102-F111 HydrophobicContact CG2-CE1 3.92Å; V102-F111 HydrophobicContact CG2-CE2 3.88Å; V102-F111 HydrophobicContact CG2-CZ 3.6Å; V102-F111 PolarHBondContact N-O 3.45Å; V102-F111 PolarHBondContact O-N 2.8Å; V102-F113 HydrophobicContact CG2-CE1 4.33Å; V102-F138 HydrophobicContact CG2-CE1 4.47Å; V102-F138 HydrophobicContact CG2-CZ 4.21Å |
| 103 | F | 98.4 | Very high | 97.5 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.018 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 155.8 | 179.1 | -56.5 | -98 | 0 | 0 | 0 | 110.1 | F66 F76 E89 I90 V92 E101 G107 A108 L109 | F66-F103 AromaticContact CD2-CD1 3.94Å; F66-F103 HydrophobicContact CD2-CD1 3.94Å; F66-F103 AromaticContact CD2-CE1 3.94Å; F66-F103 HydrophobicContact CD2-CE1 3.94Å; F66-F103 HydrophobicContact CD2-CG 4.4Å; F66-F103 HydrophobicContact CD2-CZ 4.41Å; F66-F103 HydrophobicContact CE2-CB 4.32Å; F66-F103 AromaticContact CE2-CD1 3.63Å; F66-F103 HydrophobicContact CE2-CD1 3.63Å; F66-F103 AromaticContact CE2-CD2 3.82Å; F66-F103 HydrophobicContact CE2-CD2 3.82Å; F66-F103 AromaticContact CE2-CE1 3.84Å; F66-F103 HydrophobicContact CE2-CE1 3.84Å; F66-F103 HydrophobicContact CE2-CE2 4.02Å; F66-F103 AromaticContact CE2-CG 3.64Å; F66-F103 HydrophobicContact CE2-CG 3.64Å; F66-F103 HydrophobicContact CE2-CZ 4.05Å; F66-F103 HydrophobicContact CZ-CB 4.36Å; F66-F103 HydrophobicContact CZ-CD1 4.44Å; F66-F103 HydrophobicContact CZ-CD2 4.36Å; F66-F103 HydrophobicContact CZ-CG 4.14Å; F76-F103 AromaticContact CE1-CE2 3.76Å; F76-F103 HydrophobicContact CE1-CE2 3.76Å; F76-F103 AromaticContact CE1-CZ 3.74Å; F76-F103 HydrophobicContact CE1-CZ 3.74Å; F76-F103 HydrophobicContact CE2-CZ 4.37Å; F76-F103 HydrophobicContact CZ-CE1 4.3Å; F76-F103 AromaticContact CZ-CE2 3.5Å; F76-F103 HydrophobicContact CZ-CE2 3.5Å; F76-F103 VanDerWaalsContact CZ-CE2 3.5Å; F76-F103 AromaticContact CZ-CZ 3.32Å; F76-F103 HydrophobicContact CZ-CZ 3.32Å; E89-F103 CarbonylContact C-O 3.56Å; E89-F103 WeakPolarHBondContact CA-O 3.33Å; E89-F103 WeakPolarHBondContact CB-O 3.31Å; I90-F103 HydrophobicContact CB-CB 4.29Å; I90-F103 PolarHBondContact N-O 2.92Å; I90-F103 PolarHBondContact O-N 3.16Å; V92-F103 HydrophobicContact CG2-CD2 4.23Å; V92-F103 HydrophobicContact CG2-CE2 4.14Å; E101-F103 HydrophobicContact CB-CD2 4.39Å; E101-F103 HydrophobicContact CB-CE2 3.45Å; E101-F103 VanDerWaalsContact CB-CE2 3.45Å; E101-F103 HydrophobicContact CB-CZ 3.84Å; E101-F103 WeakPolarHBondContact OE2-CZ 3.37Å; F103-G107 WeakPolarHBondContact CD1-O 3.47Å; F103-A108 CarbonylContact C-O 3.29Å; F103-A108 VanDerWaalsContact CA-O 3.22Å; F103-A108 WeakPolarHBondContact CA-O 3.34Å; F103-L109 HydrophobicContact CD1-CB 3.99Å; F103-L109 HydrophobicContact CD1-CD1 4.12Å; F103-L109 HydrophobicContact CE1-CB 3.84Å; F103-L109 HydrophobicContact CE1-CD1 3.69Å; F103-L109 HydrophobicContact CE1-CG 4.37Å; F103-L109 HydrophobicContact CE2-CD1 4.27Å; F103-L109 HydrophobicContact CZ-CD1 3.75Å |
| 104 | D | 96.3 | Very high | 97.5 | Very high | 54 Ų | 54 | 40.4 Ų | 40.4 | 29% | 0.289 | 21% | 0.211 | S | C | . | . | trans | -71.3 | 172.5 | 162.6 | 72 | 17.4 | 0 | 0 | 0 | 111 | M106 G107 A108 K110 | D104-M106 PolarHBondContact O-N 2.77Å; D104-M106 VanDerWaalsContact O-N 3.08Å; D104-M106 VanDerWaalsContact OD1-CA 3.31Å; D104-M106 WeakPolarHBondContact OD1-CA 3.41Å; D104-M106 WeakPolarHBondContact OD1-CB 3.12Å; D104-M106 PolarHBondContact OD1-N 2.95Å; D104-G107 PolarHBondContact O-N 3.26Å; D104-G107 PolarHBondContact OD1-N 2.57Å; D104-A108 PolarHBondContact N-O 3.19Å; D104-A108 PolarHBondContact OD1-N 2.7Å; D104-A108 WeakPolarHBondContact OD2-CB 3.38Å; D104-K110 HydrophobicContact CB-CD 4.21Å; D104-K110 HydrophobicContact CB-CG 4.34Å | ||
| 105 | K | 93.2 | Very high | 97.4 | Very high | 118 Ų | 118 | 45 Ų | 45 | 51% | 0.513 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -15.7 | 179.1 | 66.4 | 175.2 | -173.8 | 178.2 | 0 | 114.8 | E88 | E88-K105 HydrophobicContact CB-CB 4.33Š|
| 106 | M | 91.9 | Very high | 97.4 | Very high | 132 Ų | 132 | 47.5 Ų | 47.5 | 65% | 0.65 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -3.4 | 177.2 | -61.8 | -70.4 | 86.7 | 0 | 0 | 112.6 | C64 D104 | C64-M106 PolarHBondContact SG-O 3.41Å; C64-M106 VanDerWaalsContact SG-O 3.36Å; D104-M106 PolarHBondContact O-N 2.77Å; D104-M106 VanDerWaalsContact O-N 3.08Å; D104-M106 VanDerWaalsContact OD1-CA 3.31Å; D104-M106 WeakPolarHBondContact OD1-CA 3.41Å; D104-M106 WeakPolarHBondContact OD1-CB 3.12Å; D104-M106 PolarHBondContact OD1-N 2.95Å |
| 107 | G | 94.8 | Very high | 97.4 | Very high | 12 Ų | 12 | 45.1 Ų | 45.1 | 12% | 0.124 | 25% | 0.25 | C | S | . | . | S | Bend | trans | 88.9 | 13.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | F103 D104 | F103-G107 WeakPolarHBondContact CD1-O 3.47Å; D104-G107 PolarHBondContact O-N 3.26Å; D104-G107 PolarHBondContact OD1-N 2.57Å |
| 108 | A | 96.6 | Very high | 97.2 | Very high | 51 Ų | 51 | 47.6 Ų | 47.6 | 42% | 0.421 | 26% | 0.26 | S | S | . | . | trans | -80.7 | 129.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | F103 D104 K110 | F103-A108 CarbonylContact C-O 3.29Å; F103-A108 VanDerWaalsContact CA-O 3.22Å; F103-A108 WeakPolarHBondContact CA-O 3.34Å; D104-A108 PolarHBondContact N-O 3.19Å; D104-A108 PolarHBondContact OD1-N 2.7Å; D104-A108 WeakPolarHBondContact OD2-CB 3.38Å; A108-K110 PolarHBondContact O-N 3.42Å | ||
| 109 | L | 98.1 | Very high | 97 | Very high | 58 Ų | 58 | 53 Ų | 53 | 30% | 0.304 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 124.2 | 179.6 | -179.1 | 70.4 | 0 | 0 | 0 | 110.5 | K73 E101 F103 | K73-L109 HydrophobicContact CB-CD2 3.63Å; K73-L109 HydrophobicContact CD-CD2 4.42Å; K73-L109 HydrophobicContact CG-CD2 4.27Å; E101-L109 HydrophobicContact CB-CD1 4.13Å; E101-L109 HydrophobicContact CG-CD1 4.48Å; E101-L109 VanDerWaalsContact OE2-CD1 3.32Å; E101-L109 WeakPolarHBondContact OE2-CD1 3.29Å; F103-L109 HydrophobicContact CD1-CB 3.99Å; F103-L109 HydrophobicContact CD1-CD1 4.12Å; F103-L109 HydrophobicContact CE1-CB 3.84Å; F103-L109 HydrophobicContact CE1-CD1 3.69Å; F103-L109 HydrophobicContact CE1-CG 4.37Å; F103-L109 HydrophobicContact CE2-CD1 4.27Å; F103-L109 HydrophobicContact CZ-CD1 3.75Å |
| 110 | K | 98.1 | Very high | 96.8 | Very high | 108 Ų | 108 | 58.3 Ų | 58.3 | 47% | 0.47 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -57.6 | 173.4 | -60.2 | -178.7 | 70.4 | 175.4 | 0 | 110.4 | E89 V102 D104 A108 | E89-K110 HydrophobicContact CG-CD 4.23Å; E89-K110 IonicContact OE1-NZ 3.62Å; E89-K110 PolarHBondContact OE1-NZ 2.81Å; V102-K110 WeakPolarHBondContact O-CB 3.49Å; V102-K110 PolarHBondContact O-N 2.75Å; D104-K110 HydrophobicContact CB-CD 4.21Å; D104-K110 HydrophobicContact CB-CG 4.34Å; A108-K110 PolarHBondContact O-N 3.42Å |
| 111 | F | 98.4 | Very high | 96.7 | Very high | 59 Ų | 59 | 59.2 Ų | 59.2 | 26% | 0.259 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 173.2 | 179.3 | 67.5 | -80.6 | 0 | 0 | 0 | 111.2 | V102 F113 F138 K155 | V102-F111 HydrophobicContact CB-CD1 4.02Å; V102-F111 HydrophobicContact CB-CE1 3.72Å; V102-F111 HydrophobicContact CB-CE2 4.45Å; V102-F111 HydrophobicContact CB-CG 4.49Å; V102-F111 HydrophobicContact CB-CZ 3.97Å; V102-F111 HydrophobicContact CG1-CD1 4.37Å; V102-F111 HydrophobicContact CG1-CE1 3.78Å; V102-F111 HydrophobicContact CG1-CZ 4.22Å; V102-F111 HydrophobicContact CG2-CD1 4.47Å; V102-F111 HydrophobicContact CG2-CD2 4.43Å; V102-F111 HydrophobicContact CG2-CE1 3.92Å; V102-F111 HydrophobicContact CG2-CE2 3.88Å; V102-F111 HydrophobicContact CG2-CZ 3.6Å; V102-F111 PolarHBondContact N-O 3.45Å; V102-F111 PolarHBondContact O-N 2.8Å; F111-F113 HydrophobicContact CD2-CD1 4.24Å; F111-F113 AromaticContact CE2-CD1 3.77Å; F111-F113 HydrophobicContact CE2-CD1 3.77Å; F111-F113 HydrophobicContact CE2-CE1 4.2Å; F111-F138 HydrophobicContact CE2-CE2 4.46Å; F111-F138 HydrophobicContact CZ-CE2 4.14Å; F111-F138 AromaticContact CZ-CZ 4Å; F111-F138 HydrophobicContact CZ-CZ 4Å; F111-K155 WeakPolarHBondContact CZ-O 3.4Å |
| 112 | Q | 98.5 | Very high | 96.6 | Very high | 68 Ų | 68 | 61.9 Ų | 61.9 | 32% | 0.318 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 154.9 | 173.7 | 68.8 | -178.5 | 42.5 | 0 | 0 | 109.6 | I100 E101 | I100-Q112 CarbonylContact O-C 3.19Å; I100-Q112 VanDerWaalsContact O-CA 3.22Å; I100-Q112 WeakPolarHBondContact O-CA 3.33Å; I100-Q112 WeakPolarHBondContact O-CB 3.44Å; E101-Q112 HydrophobicContact CG-CB 3.9Å |
| 113 | F | 98.8 | Very high | 96.6 | Very high | 19 Ų | 19 | 61.9 Ų | 61.9 | 8% | 0.083 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 163.8 | 174.7 | 66.4 | -86.8 | 0 | 0 | 0 | 111.4 | R99 I100 V102 F111 F138 V140 F153 G157 | R99-F113 WeakPolarHBondContact CA-O 3.37Å; R99-F113 WeakPolarHBondContact CB-O 3.42Å; I100-F113 HydrophobicContact CB-CD1 4.09Å; I100-F113 HydrophobicContact CB-CD2 4.41Å; I100-F113 HydrophobicContact CB-CE1 3.61Å; I100-F113 HydrophobicContact CB-CE2 3.95Å; I100-F113 HydrophobicContact CB-CG 4.48Å; I100-F113 HydrophobicContact CB-CZ 3.53Å; I100-F113 HydrophobicContact CG1-CE1 4.28Å; I100-F113 HydrophobicContact CG1-CE2 3.79Å; I100-F113 HydrophobicContact CG1-CZ 3.67Å; I100-F113 HydrophobicContact CG2-CD1 4.39Å; I100-F113 HydrophobicContact CG2-CE1 3.58Å; I100-F113 HydrophobicContact CG2-CZ 3.7Å; I100-F113 PolarHBondContact N-O 2.82Å; I100-F113 PolarHBondContact O-N 3.42Å; V102-F113 HydrophobicContact CG2-CE1 4.33Å; F111-F113 HydrophobicContact CD2-CD1 4.24Å; F111-F113 AromaticContact CE2-CD1 3.77Å; F111-F113 HydrophobicContact CE2-CD1 3.77Å; F111-F113 HydrophobicContact CE2-CE1 4.2Å; F113-F138 AromaticContact CE1-CD2 3.75Å; F113-F138 HydrophobicContact CE1-CD2 3.75Å; F113-F138 AromaticContact CE1-CE2 3.83Å; F113-F138 HydrophobicContact CE1-CE2 3.83Å; F113-F138 HydrophobicContact CE1-CG 4.29Å; F113-F138 HydrophobicContact CE1-CZ 4.46Å; F113-F138 HydrophobicContact CZ-CB 4.18Å; F113-F138 AromaticContact CZ-CD2 3.59Å; F113-F138 HydrophobicContact CZ-CD2 3.59Å; F113-F138 HydrophobicContact CZ-CE2 4.17Å; F113-F138 AromaticContact CZ-CG 3.92Å; F113-F138 HydrophobicContact CZ-CG 3.92Å; F113-V140 HydrophobicContact CE2-CG2 4.49Å; F113-F153 AromaticContact CD2-CD1 3.91Å; F113-F153 HydrophobicContact CD2-CD1 3.91Å; F113-F153 HydrophobicContact CD2-CE1 4.28Å; F113-F153 HydrophobicContact CD2-CG 4.23Å; F113-F153 HydrophobicContact CE2-CB 3.92Å; F113-F153 AromaticContact CE2-CD1 3.78Å; F113-F153 HydrophobicContact CE2-CD1 3.78Å; F113-F153 AromaticContact CE2-CD2 3.99Å; F113-F153 HydrophobicContact CE2-CD2 3.99Å; F113-F153 HydrophobicContact CE2-CE1 4.31Å; F113-F153 HydrophobicContact CE2-CE2 4.47Å; F113-F153 AromaticContact CE2-CG 3.63Å; F113-F153 HydrophobicContact CE2-CG 3.63Å; F113-F153 HydrophobicContact CZ-CB 4.32Å; F113-F153 HydrophobicContact CZ-CG 4.45Å; F113-G157 VanDerWaalsContact CG-CA 3.48Å |
| 114 | G | 97.8 | Very high | 96.6 | Very high | 31 Ų | 31 | 65 Ų | 65 | 32% | 0.32 | 34% | 0.344 | S | S | . | . | trans | 113.1 | 140.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 115 | V | 97.2 | Very high | 96.7 | Very high | 96 Ų | 96 | 65.8 Ų | 65.8 | 58% | 0.582 | 34% | 0.344 | S | S | * | . | trans | -127.8 | 134.9 | 173.6 | 177.1 | 0 | 0 | 0 | 0 | 106.6 | G117 Q122 L123 | V115-G117 PolarHBondContact O-N 3.12Å; V115-Q122 CarbonylContact O-C 3.57Å; V115-Q122 VanDerWaalsContact O-CA 3.3Å; V115-Q122 WeakPolarHBondContact O-CA 3.45Å; V115-Q122 VanDerWaalsContact O-CB 3.31Å; V115-Q122 WeakPolarHBondContact O-CB 3.16Å; V115-L123 PolarHBondContact O-N 2.97Å | ||
| 116 | A | 98.1 | Very high | 96.9 | Very high | 55 Ų | 55 | 60.1 Ų | 60.1 | 46% | 0.455 | 32% | 0.319 | S | S | . | . | B | Isolated β-bridge | trans | -59.9 | 125.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | H98 L123 W124 | H98-A116 HydrophobicContact CB-CB 3.73Å; A116-L123 CarbonylContact C-O 3.49Å; A116-L123 VanDerWaalsContact CA-O 3.3Å; A116-L123 WeakPolarHBondContact CA-O 3.26Å; A116-W124 HydrophobicContact CB-CZ3 4.36Å |
| 117 | G | 96.8 | Very high | 97 | Very high | 12 Ų | 12 | 58.6 Ų | 58.6 | 12% | 0.124 | 31% | 0.306 | C | S | . | . | S | Bend | trans | 151.9 | 177.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V115 Q122 L123 R149 | V115-G117 PolarHBondContact O-N 3.12Å; G117-Q122 VanDerWaalsContact C-CB 3.48Å; G117-Q122 CarbonylContact O-C 3.59Å; G117-Q122 VanDerWaalsContact O-CB 3.26Å; G117-Q122 WeakPolarHBondContact O-CB 3.24Å; G117-L123 PolarHBondContact N-O 2.88Å; G117-L123 CarbonylContact O-C 3.34Å; G117-R149 PolarHBondContact O-NH2 2.91Å |
| 118 | K | 94.1 | Very high | 97.1 | Very high | 80 Ų | 80 | 59.3 Ų | 59.3 | 35% | 0.348 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -108.8 | 0.1 | -170.5 | -66.9 | -169.2 | 176.9 | 179.5 | 0 | 114.7 | Q122 W124 G144 N145 R149 | K118-Q122 VanDerWaalsContact N-OE1 3.17Å; K118-W124 VanDerWaalsContact CE-CD1 3.47Å; K118-W124 HydrophobicContact CG-CB 4.1Å; K118-W124 HydrophobicContact CG-CD2 4.4Å; K118-W124 HydrophobicContact CG-CG 3.93Å; K118-G144 PolarHBondContact NZ-O 2.85Å; K118-N145 WeakPolarHBondContact CD-OD1 3.22Å; K118-N145 PolarHBondContact NZ-OD1 2.98Å; K118-R149 VanDerWaalsContact CA-NH1 3.31Å; K118-R149 PolarHBondContact O-NH1 3.2Å |
| 119 | E | 95.3 | Very high | 97.2 | Very high | 134 Ų | 134 | 57.1 Ų | 57.1 | 63% | 0.626 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -72.3 | 169.6 | 172.5 | -58.1 | -54.3 | 138.2 | 0 | 0 | 111.1 | G121 Q122 R149 | E119-G121 PolarHBondContact O-N 2.6Å; E119-Q122 HydrophobicContact CB-CG 4.27Å; E119-Q122 VanDerWaalsContact N-OE1 3.07Å; E119-Q122 WeakPolarHBondContact O-CB 3.35Å; E119-Q122 PolarHBondContact O-N 2.95Å; E119-R149 PolarHBondContact O-NH1 3.22Å |
| 120 | E | 94.7 | Very high | 97.2 | Very high | 133 Ų | 133 | 54.6 Ų | 54.6 | 62% | 0.621 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 130.8 | 175.6 | -66.8 | -165.2 | 158.9 | 0 | 0 | 111.3 | Q122 F159 | E120-Q122 PolarHBondContact O-N 3.27Å; E120-F159 HydrophobicContact CB-CE1 3.75Å; E120-F159 HydrophobicContact CB-CE2 4.46Å; E120-F159 HydrophobicContact CB-CZ 3.65Å; E120-F159 HydrophobicContact CG-CZ 4.26Å |
| 121 | G | 96.1 | Very high | 97.2 | Very high | 19 Ų | 19 | 49.9 Ų | 49.9 | 20% | 0.196 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | -10.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | E119 | E119-G121 PolarHBondContact O-N 2.6Š|
| 122 | Q | 97.9 | Very high | 97.1 | Very high | 57 Ų | 57 | 47.1 Ų | 47.1 | 27% | 0.266 | 24% | 0.243 | S | C | . | . | trans | -83.9 | 158.6 | 166.7 | -64.1 | 179.4 | -20.4 | 0 | 0 | 110.6 | V115 G117 K118 E119 E120 R149 Q151 | V115-Q122 CarbonylContact O-C 3.57Å; V115-Q122 VanDerWaalsContact O-CA 3.3Å; V115-Q122 WeakPolarHBondContact O-CA 3.45Å; V115-Q122 VanDerWaalsContact O-CB 3.31Å; V115-Q122 WeakPolarHBondContact O-CB 3.16Å; G117-Q122 VanDerWaalsContact C-CB 3.48Å; G117-Q122 CarbonylContact O-C 3.59Å; G117-Q122 VanDerWaalsContact O-CB 3.26Å; G117-Q122 WeakPolarHBondContact O-CB 3.24Å; K118-Q122 VanDerWaalsContact N-OE1 3.17Å; E119-Q122 HydrophobicContact CB-CG 4.27Å; E119-Q122 VanDerWaalsContact N-OE1 3.07Å; E119-Q122 WeakPolarHBondContact O-CB 3.35Å; E119-Q122 PolarHBondContact O-N 2.95Å; E120-Q122 PolarHBondContact O-N 3.27Å; Q122-R149 PolarHBondContact O-NH1 2.98Å; Q122-R149 PolarHBondContact O-NH2 3.23Å; Q122-Q151 PolarHBondContact O-NE2 2.78Å | ||
| 123 | L | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -119.3 | 142.4 | 178.1 | -65.8 | -179.1 | 0 | 0 | 0 | 110.7 | H98 I100 V115 A116 G117 V140 D142 F153 | H98-L123 WeakPolarHBondContact O-CB 3.38Å; I100-L123 HydrophobicContact CD1-CD1 4.37Å; I100-L123 HydrophobicContact CG1-CD1 3.84Å; V115-L123 PolarHBondContact O-N 2.97Å; A116-L123 CarbonylContact C-O 3.49Å; A116-L123 VanDerWaalsContact CA-O 3.3Å; A116-L123 WeakPolarHBondContact CA-O 3.26Å; G117-L123 PolarHBondContact N-O 2.88Å; G117-L123 CarbonylContact O-C 3.34Å; L123-V140 HydrophobicContact CD2-CB 4.42Å; L123-V140 HydrophobicContact CD2-CG1 3.76Å; L123-D142 WeakPolarHBondContact CA-OD2 3.34Å; L123-F153 HydrophobicContact CD2-CE2 3.9Å; L123-F153 HydrophobicContact CD2-CZ 3.76Å; L123-F153 HydrophobicContact CG-CZ 4.26Å |
| 124 | W | 97.6 | Very high | 96.5 | Very high | 68 Ų | 68 | 53.4 Ų | 53.4 | 26% | 0.258 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -139.3 | 99.7 | -178.6 | -166.9 | -111.9 | 0 | 0 | 0 | 109.3 | H98 A116 K118 D142 R143 R149 | H98-W124 AromaticContact CE1-CD2 3.8Å; H98-W124 AromaticContact CE1-CE3 3.39Å; H98-W124 AromaticContact CE1-CH2 3.88Å; H98-W124 AromaticContact CE1-CZ3 3.43Å; H98-W124 VanDerWaalsContact CE1-CZ3 3.43Å; H98-W124 WeakPolarHBondContact CE1-CZ3 3.45Å; H98-W124 AromaticContact ND1-CD2 3.86Å; H98-W124 AromaticContact ND1-CE3 3.34Å; H98-W124 VanDerWaalsContact ND1-CE3 3.34Å; H98-W124 AromaticContact ND1-CZ3 3.77Å; A116-W124 HydrophobicContact CB-CZ3 4.36Å; K118-W124 VanDerWaalsContact CE-CD1 3.47Å; K118-W124 HydrophobicContact CG-CB 4.1Å; K118-W124 HydrophobicContact CG-CD2 4.4Å; K118-W124 HydrophobicContact CG-CG 3.93Å; W124-D142 PolarHBondContact N-OD2 2.96Å; W124-R143 WeakPolarHBondContact O-CA 3.28Å; W124-R143 VanDerWaalsContact O-CB 3.28Å; W124-R143 WeakPolarHBondContact O-CB 3.24Å; W124-R143 PolarHBondContact O-N 2.97Å; W124-R149 VanDerWaalsContact N-NH2 3.12Å |
| 125 | Y | 97.5 | Very high | 96.4 | Very high | 71 Ų | 71 | 54.5 Ų | 54.5 | 28% | 0.278 | 27% | 0.274 | S | S | . | . | S | Bend | trans | 51.5 | 62.3 | -173.9 | -56.1 | -74.8 | 0 | 0 | 0 | 113.2 | T95 H98 R127 | T95-Y125 HydrophobicContact CG2-CD1 4.15Å; T95-Y125 WeakPolarHBondContact O-CA 3.42Å; H98-Y125 AromaticContact CE1-CD1 3.8Å; H98-Y125 AromaticContact CE1-CD2 3.82Å; H98-Y125 AromaticContact CE1-CE1 3.62Å; H98-Y125 AromaticContact CE1-CE2 3.65Å; H98-Y125 AromaticContact CE1-CG 3.91Å; H98-Y125 AromaticContact CE1-CZ 3.54Å; H98-Y125 PolarHBondContact ND1-N 2.93Å; H98-Y125 VanDerWaalsContact ND1-N 3.19Å; H98-Y125 AromaticContact NE2-CE1 3.84Å; H98-Y125 AromaticContact NE2-CZ 3.94Å; Y125-R127 PolarHBondContact O-N 3.06Å |
| 126 | P | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -60.6 | 128.1 | 174.4 | 28.6 | -34.9 | 0 | 0 | 0 | 110.6 | A93 T95 I100 V140 D142 | A93-P126 HydrophobicContact CB-CB 4.2Å; T95-P126 WeakPolarHBondContact CA-O 3.49Å; T95-P126 VanDerWaalsContact CB-O 3.28Å; T95-P126 WeakPolarHBondContact CB-O 3.43Å; T95-P126 WeakPolarHBondContact CG2-O 3.17Å; T95-P126 PolarHBondContact OG1-O 2.83Å; I100-P126 HydrophobicContact CD1-CB 4.02Å; I100-P126 HydrophobicContact CD1-CG 4.31Å; P126-V140 HydrophobicContact CB-CG1 3.91Å; P126-D142 VanDerWaalsContact CA-CB 3.41Å; P126-D142 HydrophobicContact CB-CB 3.94Å | ||
| 127 | R | 95 | Very high | 96.3 | Very high | 100 Ų | 100 | 49.7 Ų | 49.7 | 38% | 0.377 | 24% | 0.239 | S | C | . | . | trans | -110.9 | -35.5 | -175.3 | -75.6 | -177.1 | 174.9 | -105 | 0.8 | 113.1 | H80 G81 T95 Y125 C141 | H80-R127 CarbonylContact C-O 3.57Å; G81-R127 WeakPolarHBondContact CA-O 3.37Å; G81-R127 PolarHBondContact N-O 2.86Å; T95-R127 HydrophobicContact CG2-CG 4.41Å; Y125-R127 PolarHBondContact O-N 3.06Å; R127-C141 PolarHBondContact N-O 2.94Å | ||
| 128 | K | 96.6 | Very high | 96.4 | Very high | 27 Ų | 27 | 49.4 Ų | 49.4 | 12% | 0.117 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 146.3 | -179.8 | -65.4 | -72.7 | 176 | 153.5 | 0 | 110 | C141 V171 A172 L174 S215 D216 | K128-C141 HydrophobicContact CB-CB 4.21Å; K128-C141 PolarHBondContact N-O 3.47Å; K128-C141 PolarHBondContact O-N 3.23Å; K128-V171 HydrophobicContact CB-CG1 4.49Å; K128-V171 HydrophobicContact CG-CG1 4.33Å; K128-A172 WeakPolarHBondContact CE-O 3.33Å; K128-A172 PolarHBondContact NZ-O 2.9Å; K128-L174 HydrophobicContact CB-CB 3.85Å; K128-L174 HydrophobicContact CB-CD2 3.97Å; K128-L174 HydrophobicContact CG-CB 4.39Å; K128-S215 PolarHBondContact NZ-O 3.29Å; K128-D216 IonicContact NZ-OD1 2.68Å |
| 129 | V | 98.2 | Very high | 96.6 | Very high | 5 Ų | 5 | 45.6 Ų | 45.6 | 3% | 0.03 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 138.1 | 176.5 | 58.7 | 0 | 0 | 0 | 0 | 108.4 | C83 I91 A93 I100 V139 V140 | C83-V129 WeakPolarHBondContact CB-O 3.36Å; C83-V129 PolarHBondContact SG-O 3.07Å; I91-V129 HydrophobicContact CG2-CB 4.38Å; I91-V129 HydrophobicContact CG2-CG1 3.93Å; I91-V129 HydrophobicContact CG2-CG2 3.57Å; A93-V129 HydrophobicContact CB-CG1 4.14Å; I100-V129 HydrophobicContact CD1-CB 4.41Å; V129-V139 CarbonylContact C-O 3.51Å; V129-V139 VanDerWaalsContact CA-O 3.28Å; V129-V139 WeakPolarHBondContact CA-O 3.45Å; V129-V140 HydrophobicContact CG2-CG2 4.09Å |
| 130 | A | 97.9 | Very high | 96.8 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 4% | 0.041 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 155 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | C83 F138 V139 L174 V176 | C83-A130 VanDerWaalsContact SG-CA 3.55Å; A130-F138 WeakPolarHBondContact O-CA 3.36Å; A130-V139 PolarHBondContact N-O 3.17Å; A130-V139 PolarHBondContact O-N 2.75Å; A130-L174 HydrophobicContact CB-CD2 3.82Å; A130-L174 HydrophobicContact CB-CG 3.92Å; A130-V176 HydrophobicContact CB-CG2 3.89Å |
| 131 | V | 97.9 | Very high | 96.9 | Very high | 8 Ų | 8 | 33 Ų | 33 | 5% | 0.048 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 133.7 | 176.6 | 175.9 | 0 | 0 | 0 | 0 | 109.6 | V86 I91 H133 K137 F138 | V86-V131 HydrophobicContact CG2-CG1 4.24Å; I91-V131 HydrophobicContact CD1-CG2 3.95Å; I91-V131 HydrophobicContact CG1-CG2 3.94Å; V131-H133 PolarHBondContact O-N 2.71Å; V131-K137 WeakPolarHBondContact CA-O 3.35Å; V131-F138 HydrophobicContact CG2-CD1 3.72Å; V131-F138 HydrophobicContact CG2-CE1 3.89Å |
| 132 | M | 96.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | trans | -81.1 | 109.2 | 170.8 | -63.5 | -171.8 | 79.2 | 0 | 0 | 110.1 | N134 N135 G136 K137 V139 V176 G180 E197 | M132-N134 VanDerWaalsContact C-N 3.25Å; M132-N134 PolarHBondContact O-N 3.12Å; M132-N135 WeakPolarHBondContact CB-OD1 3.25Å; M132-N135 PolarHBondContact O-N 2.66Å; M132-G136 WeakPolarHBondContact O-CA 3.44Å; M132-G136 PolarHBondContact O-N 2.83Å; M132-K137 HydrophobicContact CB-CB 4.4Å; M132-K137 HydrophobicContact CG-CB 4.42Å; M132-K137 PolarHBondContact N-O 3.31Å; M132-K137 HydrophobicContact SD-CB 4.13Å; M132-K137 HydrophobicContact SD-CD 4.37Å; M132-V139 HydrophobicContact CG-CG2 3.96Å; M132-V139 HydrophobicContact SD-CG2 4.37Å; M132-V176 HydrophobicContact CG-CG1 4.36Å; M132-V176 HydrophobicContact CG-CG2 4.35Å; M132-G180 WeakPolarHBondContact CE-O 3.35Å; M132-E197 HydrophobicContact CE-CB 3.86Å; M132-E197 HydrophobicContact CE-CG 3.46Å; M132-E197 VanDerWaalsContact CE-CG 3.46Å; M132-E197 HydrophobicContact SD-CG 3.63Å | ||
| 133 | H | 92.5 | Very high | 96.6 | Very high | 113 Ų | 113 | 34.8 Ų | 34.8 | 52% | 0.523 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -28.8 | -172.8 | -72.2 | -82 | 0 | 0 | 0 | 114.7 | V131 N135 | V131-H133 PolarHBondContact O-N 2.71Å; H133-N135 VanDerWaalsContact C-N 3.32Å; H133-N135 PolarHBondContact O-N 3.17Å |
| 134 | N | 93.1 | Very high | 96.1 | Very high | 107 Ų | 107 | 35.2 Ų | 35.2 | 57% | 0.572 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -22 | -178.2 | 62.9 | -12 | 0 | 0 | 0 | 114.1 | M132 | M132-N134 VanDerWaalsContact C-N 3.25Å; M132-N134 PolarHBondContact O-N 3.12Å |
| 135 | N | 94.5 | Very high | 95.4 | Very high | 53 Ų | 53 | 37.8 Ų | 37.8 | 28% | 0.283 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -144.7 | -4.1 | -173.7 | 62.7 | 32.4 | 0 | 0 | 0 | 115 | M132 H133 K137 E197 | M132-N135 WeakPolarHBondContact CB-OD1 3.25Å; M132-N135 PolarHBondContact O-N 2.66Å; H133-N135 VanDerWaalsContact C-N 3.32Å; H133-N135 PolarHBondContact O-N 3.17Å; N135-K137 VanDerWaalsContact C-N 3.28Å; N135-K137 WeakPolarHBondContact ND2-CD 3.5Å; N135-K137 WeakPolarHBondContact ND2-CE 3.29Å; N135-K137 PolarHBondContact ND2-NZ 2.95Å; N135-K137 PolarHBondContact O-N 2.93Å; N135-K137 VanDerWaalsContact OD1-CB 3.24Å; N135-K137 WeakPolarHBondContact OD1-CB 3.36Å; N135-K137 WeakPolarHBondContact OD1-CD 3.23Å; N135-K137 WeakPolarHBondContact OD1-CG 3.44Å; N135-K137 PolarHBondContact OD1-N 2.81Å; N135-E197 PolarHBondContact ND2-OE2 2.87Å |
| 136 | G | 96.5 | Very high | 94.7 | Very high | 12 Ų | 12 | 42.9 Ų | 42.9 | 12% | 0.124 | 21% | 0.207 | C | C | . | . | trans | 71.9 | 13.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | M132 K155 | M132-G136 WeakPolarHBondContact O-CA 3.44Å; M132-G136 PolarHBondContact O-N 2.83Å; G136-K155 WeakPolarHBondContact O-CA 3.24Å; G136-K155 VanDerWaalsContact O-CB 3.29Å; G136-K155 WeakPolarHBondContact O-CB 3.37Å | ||
| 137 | K | 97.9 | Very high | 94.2 | Very high | 39 Ų | 39 | 46.6 Ų | 46.6 | 17% | 0.17 | 22% | 0.221 | C | C | . | . | trans | -69 | 145.7 | 175.7 | -68.3 | 170.1 | -167.1 | 160.4 | 0 | 110.6 | V131 M132 N135 I152 F153 M160 E197 | V131-K137 WeakPolarHBondContact CA-O 3.35Å; M132-K137 HydrophobicContact CB-CB 4.4Å; M132-K137 HydrophobicContact CG-CB 4.42Å; M132-K137 PolarHBondContact N-O 3.31Å; M132-K137 HydrophobicContact SD-CB 4.13Å; M132-K137 HydrophobicContact SD-CD 4.37Å; N135-K137 VanDerWaalsContact C-N 3.28Å; N135-K137 WeakPolarHBondContact ND2-CD 3.5Å; N135-K137 WeakPolarHBondContact ND2-CE 3.29Å; N135-K137 PolarHBondContact ND2-NZ 2.95Å; N135-K137 PolarHBondContact O-N 2.93Å; N135-K137 VanDerWaalsContact OD1-CB 3.24Å; N135-K137 WeakPolarHBondContact OD1-CB 3.36Å; N135-K137 WeakPolarHBondContact OD1-CD 3.23Å; N135-K137 WeakPolarHBondContact OD1-CG 3.44Å; N135-K137 PolarHBondContact OD1-N 2.81Å; K137-I152 HydrophobicContact CB-CG2 4.12Å; K137-I152 HydrophobicContact CD-CG2 3.96Å; K137-I152 HydrophobicContact CG-CG2 4.35Å; K137-F153 CarbonylContact C-O 3.6Å; K137-F153 VanDerWaalsContact CA-O 3.32Å; K137-F153 WeakPolarHBondContact CA-O 3.47Å; K137-F153 WeakPolarHBondContact CB-O 3.49Å; K137-M160 HydrophobicContact CD-CE 4.46Å; K137-M160 HydrophobicContact CD-SD 3.93Å; K137-M160 HydrophobicContact CG-SD 4.02Å; K137-E197 IonicContact NZ-OE1 3.77Å; K137-E197 PolarHBondContact NZ-OE1 3.29Å; K137-E197 IonicContact NZ-OE2 2.78Å; K137-E197 PolarHBondContact NZ-OE2 3.45Å | ||
| 138 | F | 98.4 | Very high | 94 | Very high | 5 Ų | 5 | 43 Ų | 43 | 2% | 0.022 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 132 | 172.4 | -51.4 | -71.1 | 0 | 0 | 0 | 109.9 | I91 V102 F111 F113 A130 V131 V140 I152 F153 S154 K155 | I91-F138 HydrophobicContact CG1-CD1 4.15Å; I91-F138 HydrophobicContact CG1-CE1 3.64Å; I91-F138 HydrophobicContact CG2-CD1 4.19Å; I91-F138 HydrophobicContact CG2-CE1 4.31Å; V102-F138 HydrophobicContact CG2-CE1 4.47Å; V102-F138 HydrophobicContact CG2-CZ 4.21Å; F111-F138 HydrophobicContact CE2-CE2 4.46Å; F111-F138 HydrophobicContact CZ-CE2 4.14Å; F111-F138 AromaticContact CZ-CZ 4Å; F111-F138 HydrophobicContact CZ-CZ 4Å; F113-F138 AromaticContact CE1-CD2 3.75Å; F113-F138 HydrophobicContact CE1-CD2 3.75Å; F113-F138 AromaticContact CE1-CE2 3.83Å; F113-F138 HydrophobicContact CE1-CE2 3.83Å; F113-F138 HydrophobicContact CE1-CG 4.29Å; F113-F138 HydrophobicContact CE1-CZ 4.46Å; F113-F138 HydrophobicContact CZ-CB 4.18Å; F113-F138 AromaticContact CZ-CD2 3.59Å; F113-F138 HydrophobicContact CZ-CD2 3.59Å; F113-F138 HydrophobicContact CZ-CE2 4.17Å; F113-F138 AromaticContact CZ-CG 3.92Å; F113-F138 HydrophobicContact CZ-CG 3.92Å; A130-F138 WeakPolarHBondContact O-CA 3.36Å; V131-F138 HydrophobicContact CG2-CD1 3.72Å; V131-F138 HydrophobicContact CG2-CE1 3.89Å; F138-V140 HydrophobicContact CB-CG2 4.29Å; F138-I152 CarbonylContact O-C 3.53Å; F138-I152 VanDerWaalsContact O-CA 3.31Å; F138-I152 WeakPolarHBondContact O-CA 3.26Å; F138-F153 HydrophobicContact CB-CB 4.28Å; F138-F153 HydrophobicContact CD2-CB 4.25Å; F138-F153 PolarHBondContact N-O 2.96Å; F138-F153 PolarHBondContact O-N 3.5Å; F138-S154 WeakPolarHBondContact CD2-O 3.29Å; F138-S154 WeakPolarHBondContact CE2-O 3.32Å; F138-K155 WeakPolarHBondContact CE2-O 3.33Å |
| 139 | V | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 113.6 | 166.4 | -176.6 | 0 | 0 | 0 | 0 | 106.8 | V129 A130 M132 M150 I152 L174 I182 | V129-V139 CarbonylContact C-O 3.51Å; V129-V139 VanDerWaalsContact CA-O 3.28Å; V129-V139 WeakPolarHBondContact CA-O 3.45Å; A130-V139 PolarHBondContact N-O 3.17Å; A130-V139 PolarHBondContact O-N 2.75Å; M132-V139 HydrophobicContact CG-CG2 3.96Å; M132-V139 HydrophobicContact SD-CG2 4.37Å; V139-M150 HydrophobicContact CG1-CE 4.42Å; V139-M150 HydrophobicContact CG1-CG 3.66Å; V139-M150 HydrophobicContact CG1-SD 3.74Å; V139-I152 HydrophobicContact CG2-CG1 4.38Å; V139-L174 HydrophobicContact CG1-CD2 4.3Å; V139-I182 HydrophobicContact CG1-CD1 3.98Å; V139-I182 HydrophobicContact CG1-CG1 4.46Å; V139-I182 HydrophobicContact CG1-CG2 4.05Å; V139-I182 HydrophobicContact CG2-CD1 3.76Å; V139-I182 HydrophobicContact CG2-CG1 3.99Å |
| 140 | V | 98.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 125.7 | -178.2 | -178.3 | 0 | 0 | 0 | 0 | 109 | I100 F113 L123 P126 V129 F138 M150 Q151 F153 | I100-V140 HydrophobicContact CD1-CG1 3.92Å; I100-V140 HydrophobicContact CD1-CG2 4.11Å; I100-V140 HydrophobicContact CG1-CG1 4.36Å; I100-V140 HydrophobicContact CG1-CG2 3.91Å; F113-V140 HydrophobicContact CE2-CG2 4.49Å; L123-V140 HydrophobicContact CD2-CB 4.42Å; L123-V140 HydrophobicContact CD2-CG1 3.76Å; P126-V140 HydrophobicContact CB-CG1 3.91Å; V129-V140 HydrophobicContact CG2-CG2 4.09Å; F138-V140 HydrophobicContact CB-CG2 4.29Å; V140-M150 CarbonylContact O-C 3.59Å; V140-M150 WeakPolarHBondContact O-CA 3.46Å; V140-Q151 PolarHBondContact N-O 3.36Å; V140-Q151 PolarHBondContact O-N 2.94Å; V140-F153 HydrophobicContact CB-CD2 4.28Å; V140-F153 HydrophobicContact CB-CE2 4.08Å; V140-F153 HydrophobicContact CG2-CD2 3.84Å; V140-F153 HydrophobicContact CG2-CE2 4.05Å |
| 141 | C | 96.9 | Very high | 93.8 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.014 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 121.5 | 171 | -66.7 | 0 | 0 | 0 | 0 | 109.7 | R127 K128 R149 M150 V171 | R127-C141 PolarHBondContact N-O 2.94Å; K128-C141 HydrophobicContact CB-CB 4.21Å; K128-C141 PolarHBondContact N-O 3.47Å; K128-C141 PolarHBondContact O-N 3.23Å; C141-R149 WeakPolarHBondContact CA-O 3.17Å; C141-M150 WeakPolarHBondContact SG-CE 3.45Å; C141-V171 HydrophobicContact CB-CB 4.21Å; C141-V171 HydrophobicContact CB-CG1 4.34Å; C141-V171 HydrophobicContact CB-CG2 4.11Å |
| 142 | D | 96 | Very high | 93.8 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 178 | -178.9 | 75.7 | -42.9 | 0 | 0 | 0 | 111.5 | L123 W124 P126 G144 R149 Q151 | L123-D142 WeakPolarHBondContact CA-OD2 3.34Å; W124-D142 PolarHBondContact N-OD2 2.96Å; P126-D142 VanDerWaalsContact CA-CB 3.41Å; P126-D142 HydrophobicContact CB-CB 3.94Å; D142-G144 PolarHBondContact O-N 3.48Å; D142-R149 PolarHBondContact N-O 3Å; D142-R149 PolarHBondContact O-N 3.09Å; D142-R149 WeakPolarHBondContact OD1-CD 3.3Å; D142-R149 WeakPolarHBondContact OD1-CG 3.28Å; D142-R149 IonicContact OD1-CZ 2.76Å; D142-R149 IonicContact OD1-NE 3.82Å; D142-R149 PolarHBondContact OD1-NE 3.35Å; D142-R149 IonicContact OD2-CZ 3.81Å; D142-R149 IonicContact OD2-NE 3.47Å; D142-R149 PolarHBondContact OD2-NE 3.14Å; D142-R149 IonicContact OD2-NH2 3.62Å; D142-R149 PolarHBondContact OD2-NH2 2.97Å; D142-Q151 PolarHBondContact OD1-NE2 3.4Å |
| 143 | R | 92.6 | Very high | 93.9 | Very high | 111 Ų | 111 | 41.3 Ų | 41.3 | 42% | 0.419 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 116.5 | -172.8 | -171 | -177.9 | -179.8 | -150.6 | -1 | 110.9 | W124 | W124-R143 WeakPolarHBondContact O-CA 3.28Å; W124-R143 VanDerWaalsContact O-CB 3.28Å; W124-R143 WeakPolarHBondContact O-CB 3.24Å; W124-R143 PolarHBondContact O-N 2.97Å |
| 144 | G | 87.1 | Confident | 94.1 | Very high | 8 Ų | 8 | 37 Ų | 37 | 8% | 0.082 | 18% | 0.183 | C | C | . | . | trans | -79.8 | -155.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | K118 D142 R147 | K118-G144 PolarHBondContact NZ-O 2.85Å; D142-G144 PolarHBondContact O-N 3.48Å; G144-R147 WeakPolarHBondContact CA-O 3.42Å; G144-R147 PolarHBondContact N-O 2.89Å | ||
| 145 | N | 84.3 | Confident | 94.3 | Very high | 123 Ų | 123 | 39 Ų | 39 | 66% | 0.658 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -74.1 | -55.5 | 176.4 | -76.9 | -28.5 | 0 | 0 | 0 | 111.7 | K118 | K118-N145 WeakPolarHBondContact CD-OD1 3.22Å; K118-N145 PolarHBondContact NZ-OD1 2.98Å |
| 146 | E | 82.4 | Confident | 94.4 | Very high | 178 Ų | 178 | 39.8 Ų | 39.8 | 83% | 0.832 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -110 | -42.5 | -176.6 | -64.9 | 172.4 | -175.5 | 0 | 0 | 111.2 | ||
| 147 | R | 87.1 | Confident | 94.5 | Very high | 78 Ų | 78 | 39.7 Ų | 39.7 | 29% | 0.294 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -122.4 | 175.6 | -177.2 | -62.6 | -173.3 | 172.5 | 101.3 | 6.1 | 111.6 | G144 D169 | G144-R147 WeakPolarHBondContact CA-O 3.42Å; G144-R147 PolarHBondContact N-O 2.89Å; R147-D169 WeakPolarHBondContact CD-OD1 3.27Å; R147-D169 WeakPolarHBondContact CG-OD1 3.35Å; R147-D169 IonicContact CZ-OD1 3.74Å; R147-D169 IonicContact NE-OD1 3.29Å; R147-D169 PolarHBondContact NE-OD1 2.84Å |
| 148 | S | 91.4 | Very high | 94.5 | Very high | 24 Ų | 24 | 44 Ų | 44 | 17% | 0.168 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.3 | 147.5 | 164.4 | -64.8 | 0 | 0 | 0 | 0 | 110.6 | I165 D169 I170 V171 | S148-I165 VanDerWaalsContact O-CD1 3.28Å; S148-I165 WeakPolarHBondContact O-CD1 3.37Å; S148-D169 WeakPolarHBondContact CB-O 3.46Å; S148-D169 PolarHBondContact N-O 3.36Å; S148-D169 PolarHBondContact OG-O 2.83Å; S148-I170 WeakPolarHBondContact OG-CA 3.34Å; S148-V171 PolarHBondContact OG-N 2.82Å |
| 149 | R | 93.8 | Very high | 94.5 | Very high | 9 Ų | 9 | 47 Ų | 47 | 3% | 0.034 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 150 | 167.9 | 73.2 | -178.4 | 173.5 | 166.7 | -6.5 | 108.6 | G117 K118 E119 Q122 W124 C141 D142 | G117-R149 PolarHBondContact O-NH2 2.91Å; K118-R149 VanDerWaalsContact CA-NH1 3.31Å; K118-R149 PolarHBondContact O-NH1 3.2Å; E119-R149 PolarHBondContact O-NH1 3.22Å; Q122-R149 PolarHBondContact O-NH1 2.98Å; Q122-R149 PolarHBondContact O-NH2 3.23Å; W124-R149 VanDerWaalsContact N-NH2 3.12Å; C141-R149 WeakPolarHBondContact CA-O 3.17Å; D142-R149 PolarHBondContact N-O 3Å; D142-R149 PolarHBondContact O-N 3.09Å; D142-R149 WeakPolarHBondContact OD1-CD 3.3Å; D142-R149 WeakPolarHBondContact OD1-CG 3.28Å; D142-R149 IonicContact OD1-CZ 2.76Å; D142-R149 IonicContact OD1-NE 3.82Å; D142-R149 PolarHBondContact OD1-NE 3.35Å; D142-R149 IonicContact OD2-CZ 3.81Å; D142-R149 IonicContact OD2-NE 3.47Å; D142-R149 PolarHBondContact OD2-NE 3.14Å; D142-R149 IonicContact OD2-NH2 3.62Å; D142-R149 PolarHBondContact OD2-NH2 2.97Å |
| 150 | M | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 133.1 | 178.3 | -174 | -178.1 | -74.2 | 0 | 0 | 108.9 | V139 V140 C141 I163 I165 L174 I182 A184 I195 | V139-M150 HydrophobicContact CG1-CE 4.42Å; V139-M150 HydrophobicContact CG1-CG 3.66Å; V139-M150 HydrophobicContact CG1-SD 3.74Å; V140-M150 CarbonylContact O-C 3.59Å; V140-M150 WeakPolarHBondContact O-CA 3.46Å; C141-M150 WeakPolarHBondContact SG-CE 3.45Å; M150-I163 HydrophobicContact CB-CB 4.28Å; M150-I163 HydrophobicContact CG-CB 4.35Å; M150-I163 PolarHBondContact O-N 3.34Å; M150-I163 HydrophobicContact SD-CB 4.32Å; M150-I163 HydrophobicContact SD-CD1 4.18Å; M150-I163 HydrophobicContact SD-CG2 4.29Å; M150-I165 HydrophobicContact CB-CD1 4.02Å; M150-I165 HydrophobicContact CB-CG1 4.23Å; M150-I165 HydrophobicContact CB-CG2 3.9Å; M150-I165 HydrophobicContact CE-CG2 4.02Å; M150-I165 HydrophobicContact SD-CG2 4.11Å; M150-L174 HydrophobicContact CE-CD1 3.86Å; M150-I182 HydrophobicContact CE-CG2 3.86Å; M150-I182 HydrophobicContact SD-CD1 4.15Å; M150-I182 HydrophobicContact SD-CG2 3.87Å; M150-A184 HydrophobicContact CE-CB 4.21Å; M150-I195 HydrophobicContact CE-CD1 4.41Å |
| 151 | Q | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 140 | -176.6 | -64.2 | -174.5 | 88.8 | 0 | 0 | 110.2 | Q122 V140 D142 F153 F159 K162 | Q122-Q151 PolarHBondContact O-NE2 2.78Å; V140-Q151 PolarHBondContact N-O 3.36Å; V140-Q151 PolarHBondContact O-N 2.94Å; D142-Q151 PolarHBondContact OD1-NE2 3.4Å; Q151-F153 HydrophobicContact CB-CD2 4.32Å; Q151-F153 HydrophobicContact CB-CE2 3.57Å; Q151-F153 HydrophobicContact CB-CZ 4.2Å; Q151-F159 HydrophobicContact CB-CE2 4.37Å; Q151-F159 HydrophobicContact CG-CE2 4.38Å; Q151-K162 HydrophobicContact CG-CB 4.44Å; Q151-K162 HydrophobicContact CG-CG 4.4Å |
| 152 | I | 98.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 130 | 174 | -69 | -174.8 | 0 | 0 | 0 | 109.5 | K137 F138 V139 M160 R161 I163 I182 E197 | K137-I152 HydrophobicContact CB-CG2 4.12Å; K137-I152 HydrophobicContact CD-CG2 3.96Å; K137-I152 HydrophobicContact CG-CG2 4.35Å; F138-I152 CarbonylContact O-C 3.53Å; F138-I152 VanDerWaalsContact O-CA 3.31Å; F138-I152 WeakPolarHBondContact O-CA 3.26Å; V139-I152 HydrophobicContact CG2-CG1 4.38Å; I152-M160 HydrophobicContact CG2-CB 4.18Å; I152-M160 HydrophobicContact CG2-CG 4.47Å; I152-M160 HydrophobicContact CG2-SD 4.08Å; I152-M160 WeakPolarHBondContact O-CB 3.49Å; I152-M160 PolarHBondContact O-N 2.87Å; I152-R161 HydrophobicContact CB-CG 4.4Å; I152-R161 PolarHBondContact N-O 3.27Å; I152-R161 PolarHBondContact O-N 2.79Å; I152-I163 HydrophobicContact CD1-CD1 3.52Å; I152-I163 HydrophobicContact CD1-CG1 4.3Å; I152-I163 HydrophobicContact CG1-CD1 3.85Å; I152-I163 HydrophobicContact CG1-CG1 4.42Å; I152-I182 HydrophobicContact CD1-CD1 4.37Å; I152-E197 HydrophobicContact CD1-CG 3.92Å |
| 153 | F | 98.6 | Very high | 94 | Very high | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.009 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 147 | 172 | -61.4 | -101.4 | 0 | 0 | 0 | 109.6 | F113 L123 K137 F138 V140 Q151 G157 H158 F159 | F113-F153 AromaticContact CD2-CD1 3.91Å; F113-F153 HydrophobicContact CD2-CD1 3.91Å; F113-F153 HydrophobicContact CD2-CE1 4.28Å; F113-F153 HydrophobicContact CD2-CG 4.23Å; F113-F153 HydrophobicContact CE2-CB 3.92Å; F113-F153 AromaticContact CE2-CD1 3.78Å; F113-F153 HydrophobicContact CE2-CD1 3.78Å; F113-F153 AromaticContact CE2-CD2 3.99Å; F113-F153 HydrophobicContact CE2-CD2 3.99Å; F113-F153 HydrophobicContact CE2-CE1 4.31Å; F113-F153 HydrophobicContact CE2-CE2 4.47Å; F113-F153 AromaticContact CE2-CG 3.63Å; F113-F153 HydrophobicContact CE2-CG 3.63Å; F113-F153 HydrophobicContact CZ-CB 4.32Å; F113-F153 HydrophobicContact CZ-CG 4.45Å; L123-F153 HydrophobicContact CD2-CE2 3.9Å; L123-F153 HydrophobicContact CD2-CZ 3.76Å; L123-F153 HydrophobicContact CG-CZ 4.26Å; K137-F153 CarbonylContact C-O 3.6Å; K137-F153 VanDerWaalsContact CA-O 3.32Å; K137-F153 WeakPolarHBondContact CA-O 3.47Å; K137-F153 WeakPolarHBondContact CB-O 3.49Å; F138-F153 HydrophobicContact CB-CB 4.28Å; F138-F153 HydrophobicContact CD2-CB 4.25Å; F138-F153 PolarHBondContact N-O 2.96Å; F138-F153 PolarHBondContact O-N 3.5Å; V140-F153 HydrophobicContact CB-CD2 4.28Å; V140-F153 HydrophobicContact CB-CE2 4.08Å; V140-F153 HydrophobicContact CG2-CD2 3.84Å; V140-F153 HydrophobicContact CG2-CE2 4.05Å; Q151-F153 HydrophobicContact CB-CD2 4.32Å; Q151-F153 HydrophobicContact CB-CE2 3.57Å; Q151-F153 HydrophobicContact CB-CZ 4.2Å; F153-G157 WeakPolarHBondContact CD1-O 3.41Å; F153-H158 CarbonylContact C-O 3.58Å; F153-H158 VanDerWaalsContact CA-O 3.3Å; F153-H158 WeakPolarHBondContact CA-O 3.42Å; F153-F159 HydrophobicContact CD1-CB 4.08Å; F153-F159 HydrophobicContact CE1-CB 3.89Å; F153-F159 HydrophobicContact CE1-CD2 4.13Å; F153-F159 HydrophobicContact CZ-CD2 4.19Å |
| 154 | S | 98.2 | Very high | 93.5 | Very high | 21 Ų | 21 | 57 Ų | 57 | 15% | 0.147 | 29% | 0.286 | C | S | . | . | trans | -64.2 | 165 | 171.6 | 63.6 | 0 | 0 | 0 | 0 | 111.4 | F138 C156 G157 H158 | F138-S154 WeakPolarHBondContact CD2-O 3.29Å; F138-S154 WeakPolarHBondContact CE2-O 3.32Å; S154-C156 PolarHBondContact O-N 3.33Å; S154-C156 PolarHBondContact OG-SG 2.87Å; S154-G157 PolarHBondContact O-N 2.76Å; S154-H158 PolarHBondContact N-O 3.21Å; S154-H158 WeakPolarHBondContact OG-CB 3.33Å; S154-H158 PolarHBondContact OG-N 2.87Å; S154-H158 VanDerWaalsContact OG-N 3.08Å; S154-H158 PolarHBondContact OG-O 2.89Å | ||
| 155 | K | 96.8 | Very high | 93.3 | Very high | 151 Ų | 151 | 57.2 Ų | 57.2 | 66% | 0.657 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -16.2 | 176.5 | 69.6 | 178.7 | -177.6 | 177.3 | 0 | 115.5 | F111 G136 F138 | F111-K155 WeakPolarHBondContact CZ-O 3.4Å; G136-K155 WeakPolarHBondContact O-CA 3.24Å; G136-K155 VanDerWaalsContact O-CB 3.29Å; G136-K155 WeakPolarHBondContact O-CB 3.37Å; F138-K155 WeakPolarHBondContact CE2-O 3.33Å |
| 156 | C | 96.6 | Very high | 93.1 | Very high | 68 Ų | 68 | 60.2 Ų | 60.2 | 46% | 0.459 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 8.5 | 174.6 | 50.5 | 0 | 0 | 0 | 0 | 113.6 | S154 H158 | S154-C156 PolarHBondContact O-N 3.33Å; S154-C156 PolarHBondContact OG-SG 2.87Å; C156-H158 PolarHBondContact SG-ND1 3.33Å |
| 157 | G | 97.7 | Very high | 93.1 | Very high | 10 Ų | 10 | 57.2 Ų | 57.2 | 10% | 0.103 | 27% | 0.27 | C | S | . | . | S | Bend | trans | 85.1 | 6.9 | 175 | 0 | 0 | 0 | 0 | 0 | 115.3 | F113 F153 S154 | F113-G157 VanDerWaalsContact CG-CA 3.48Å; F153-G157 WeakPolarHBondContact CD1-O 3.41Å; S154-G157 PolarHBondContact O-N 2.76Å |
| 158 | H | 98.1 | Very high | 93.3 | Very high | 131 Ų | 131 | 53.6 Ų | 53.6 | 61% | 0.606 | 26% | 0.256 | S | S | * | . | trans | -75.8 | 132.9 | 172 | -57.1 | 130.1 | 0 | 0 | 0 | 110.9 | F153 S154 C156 M160 | F153-H158 CarbonylContact C-O 3.58Å; F153-H158 VanDerWaalsContact CA-O 3.3Å; F153-H158 WeakPolarHBondContact CA-O 3.42Å; S154-H158 PolarHBondContact N-O 3.21Å; S154-H158 WeakPolarHBondContact OG-CB 3.33Å; S154-H158 PolarHBondContact OG-N 2.87Å; S154-H158 VanDerWaalsContact OG-N 3.08Å; S154-H158 PolarHBondContact OG-O 2.89Å; C156-H158 PolarHBondContact SG-ND1 3.33Å; H158-M160 PolarHBondContact O-N 3.13Å | ||
| 159 | F | 98.3 | Very high | 93.2 | Very high | 66 Ų | 66 | 54 Ų | 54 | 29% | 0.289 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 135.1 | 173.6 | 175.2 | -110.2 | 0 | 0 | 0 | 110.8 | E120 Q151 F153 R161 | E120-F159 HydrophobicContact CB-CE1 3.75Å; E120-F159 HydrophobicContact CB-CE2 4.46Å; E120-F159 HydrophobicContact CB-CZ 3.65Å; E120-F159 HydrophobicContact CG-CZ 4.26Å; Q151-F159 HydrophobicContact CB-CE2 4.37Å; Q151-F159 HydrophobicContact CG-CE2 4.38Å; F153-F159 HydrophobicContact CD1-CB 4.08Å; F153-F159 HydrophobicContact CE1-CB 3.89Å; F153-F159 HydrophobicContact CE1-CD2 4.13Å; F153-F159 HydrophobicContact CZ-CD2 4.19Å; F159-R161 WeakPolarHBondContact CE2-O 3.47Å; F159-R161 VanDerWaalsContact CZ-C 3.4Å |
| 160 | M | 97.8 | Very high | 93.1 | Very high | 88 Ų | 88 | 57.3 Ų | 57.3 | 43% | 0.433 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | -53.1 | 174.8 | -60.5 | -172.3 | 67.4 | 0 | 0 | 111 | K137 I152 H158 | K137-M160 HydrophobicContact CD-CE 4.46Å; K137-M160 HydrophobicContact CD-SD 3.93Å; K137-M160 HydrophobicContact CG-SD 4.02Å; I152-M160 HydrophobicContact CG2-CB 4.18Å; I152-M160 HydrophobicContact CG2-CG 4.47Å; I152-M160 HydrophobicContact CG2-SD 4.08Å; I152-M160 WeakPolarHBondContact O-CB 3.49Å; I152-M160 PolarHBondContact O-N 2.87Å; H158-M160 PolarHBondContact O-N 3.13Å |
| 161 | R | 95.9 | Very high | 93.1 | Very high | 66 Ų | 66 | 57.7 Ų | 57.7 | 25% | 0.249 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.5 | 163.5 | -179.7 | 56.9 | -171.9 | 165.3 | 82.6 | 5.7 | 112.6 | I152 F159 E197 E198 | I152-R161 HydrophobicContact CB-CG 4.4Å; I152-R161 PolarHBondContact N-O 3.27Å; I152-R161 PolarHBondContact O-N 2.79Å; F159-R161 WeakPolarHBondContact CE2-O 3.47Å; F159-R161 VanDerWaalsContact CZ-C 3.4Å; R161-E197 PolarHBondContact NH1-O 2.91Å; R161-E197 VanDerWaalsContact NH2-C 3.25Å; R161-E197 VanDerWaalsContact NH2-CG 3.34Å; R161-E197 PolarHBondContact NH2-O 2.75Å; R161-E197 IonicContact NH2-OE1 2.63Å; R161-E197 PolarHBondContact NH2-OE1 2.64Å; R161-E198 PolarHBondContact NH1-O 3.46Å |
| 162 | K | 94.3 | Very high | 93 | Very high | 110 Ų | 110 | 58.3 Ų | 58.3 | 48% | 0.478 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 142.3 | 167.6 | -177.2 | -180 | 175.6 | -176.1 | 0 | 110.3 | Q151 | Q151-K162 HydrophobicContact CG-CB 4.44Å; Q151-K162 HydrophobicContact CG-CG 4.4Å |
| 163 | I | 90.9 | Very high | 92.9 | Very high | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 134 | 170.3 | -68.8 | 177.1 | 0 | 0 | 0 | 109.3 | M150 I152 I165 I182 I195 E197 | M150-I163 HydrophobicContact CB-CB 4.28Å; M150-I163 HydrophobicContact CG-CB 4.35Å; M150-I163 PolarHBondContact O-N 3.34Å; M150-I163 HydrophobicContact SD-CB 4.32Å; M150-I163 HydrophobicContact SD-CD1 4.18Å; M150-I163 HydrophobicContact SD-CG2 4.29Å; I152-I163 HydrophobicContact CD1-CD1 3.52Å; I152-I163 HydrophobicContact CD1-CG1 4.3Å; I152-I163 HydrophobicContact CG1-CD1 3.85Å; I152-I163 HydrophobicContact CG1-CG1 4.42Å; I163-I165 HydrophobicContact CG2-CG2 4.12Å; I163-I165 PolarHBondContact O-N 3.4Å; I163-I165 VanDerWaalsContact O-N 3.15Å; I163-I182 HydrophobicContact CD1-CD1 3.56Å; I163-I195 HydrophobicContact CG2-CG2 4.15Å; I163-E197 WeakPolarHBondContact CD1-O 3.31Å |
| 164 | A | 82.8 | Confident | 92.8 | Very high | 61 Ų | 61 | 59 Ų | 59 | 50% | 0.504 | 29% | 0.285 | S | S | . | . | trans | -78.5 | 95.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | R166 | A164-R166 HydrophobicContact CB-CG 4.42Å; A164-R166 PolarHBondContact O-N 2.86Å | ||
| 165 | I | 82.9 | Confident | 92.8 | Very high | 14 Ų | 14 | 58.8 Ų | 58.8 | 7% | 0.072 | 29% | 0.285 | C | S | . | . | trans | -93.8 | 64.7 | 174.6 | 53.2 | 163.3 | 0 | 0 | 0 | 111.9 | S148 M150 I163 Y167 I168 I195 | S148-I165 VanDerWaalsContact O-CD1 3.28Å; S148-I165 WeakPolarHBondContact O-CD1 3.37Å; M150-I165 HydrophobicContact CB-CD1 4.02Å; M150-I165 HydrophobicContact CB-CG1 4.23Å; M150-I165 HydrophobicContact CB-CG2 3.9Å; M150-I165 HydrophobicContact CE-CG2 4.02Å; M150-I165 HydrophobicContact SD-CG2 4.11Å; I163-I165 HydrophobicContact CG2-CG2 4.12Å; I163-I165 PolarHBondContact O-N 3.4Å; I163-I165 VanDerWaalsContact O-N 3.15Å; I165-Y167 PolarHBondContact O-N 2.94Å; I165-Y167 VanDerWaalsContact O-N 3.12Å; I165-I168 HydrophobicContact CB-CB 4.22Å; I165-I168 HydrophobicContact CB-CD1 4.05Å; I165-I168 HydrophobicContact CB-CG1 4.23Å; I165-I168 HydrophobicContact CD1-CB 4.25Å; I165-I168 HydrophobicContact CG2-CD1 4.04Å; I165-I168 PolarHBondContact O-N 3.18Å; I165-I195 HydrophobicContact CG2-CD1 3.93Å | ||
| 166 | R | 80.1 | Confident | 92.8 | Very high | 186 Ų | 186 | 52.8 Ų | 52.8 | 70% | 0.702 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -24.2 | -169.8 | -62.9 | -177.3 | -175.9 | -87.3 | -0.1 | 114.7 | A164 | A164-R166 HydrophobicContact CB-CG 4.42Å; A164-R166 PolarHBondContact O-N 2.86Å |
| 167 | Y | 83.1 | Confident | 92.7 | Very high | 114 Ų | 114 | 50.6 Ų | 50.6 | 45% | 0.447 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 3.4 | -172.1 | -50.5 | -72.6 | 0 | 0 | 0 | 113.7 | L21 I165 F193 L201 | L21-Y167 HydrophobicContact CD2-CD1 3.87Å; L21-Y167 HydrophobicContact CD2-CE1 4.09Å; I165-Y167 PolarHBondContact O-N 2.94Å; I165-Y167 VanDerWaalsContact O-N 3.12Å; Y167-F193 HydrophobicContact CG-CE1 4.5Å; Y167-L201 HydrophobicContact CD2-CD2 4.42Å; Y167-L201 HydrophobicContact CE2-CD2 4.37Å |
| 168 | I | 89.7 | Confident | 92.3 | Very high | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.015 | 29% | 0.285 | C | S | . | . | trans | -111.6 | 116.4 | -175.2 | -53 | -178.2 | 0 | 0 | 0 | 108.9 | I165 V171 A184 D186 F193 I195 | I165-I168 HydrophobicContact CB-CB 4.22Å; I165-I168 HydrophobicContact CB-CD1 4.05Å; I165-I168 HydrophobicContact CB-CG1 4.23Å; I165-I168 HydrophobicContact CD1-CB 4.25Å; I165-I168 HydrophobicContact CG2-CD1 4.04Å; I165-I168 PolarHBondContact O-N 3.18Å; I168-V171 HydrophobicContact CG2-CG2 3.67Å; I168-A184 HydrophobicContact CD1-CB 3.78Å; I168-D186 HydrophobicContact CG2-CB 4.14Å; I168-F193 HydrophobicContact CD1-CB 4.1Å; I168-F193 HydrophobicContact CD1-CD2 3.76Å; I168-F193 HydrophobicContact CD1-CE2 4.39Å; I168-F193 HydrophobicContact CD1-CG 3.99Å; I168-F193 HydrophobicContact CG1-CD2 3.61Å; I168-F193 HydrophobicContact CG1-CE2 3.73Å; I168-F193 HydrophobicContact CG1-CG 4.08Å; I168-F193 HydrophobicContact CG1-CZ 4.3Å; I168-I195 HydrophobicContact CD1-CD1 4.13Å | ||
| 169 | D | 91 | Very high | 92 | Very high | 31 Ų | 31 | 56.9 Ų | 56.9 | 17% | 0.166 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -82.7 | -56.5 | 177.4 | -71 | -50.6 | 0 | 0 | 0 | 110.3 | R147 S148 D186 V188 | R147-D169 WeakPolarHBondContact CD-OD1 3.27Å; R147-D169 WeakPolarHBondContact CG-OD1 3.35Å; R147-D169 IonicContact CZ-OD1 3.74Å; R147-D169 IonicContact NE-OD1 3.29Å; R147-D169 PolarHBondContact NE-OD1 2.84Å; S148-D169 WeakPolarHBondContact CB-O 3.46Å; S148-D169 PolarHBondContact N-O 3.36Å; S148-D169 PolarHBondContact OG-O 2.83Å; D169-D186 PolarHBondContact N-OD1 2.83Å; D169-V188 HydrophobicContact CB-CB 3.86Å; D169-V188 HydrophobicContact CB-CG1 4.46Å; D169-V188 HydrophobicContact CB-CG2 3.57Å |
| 170 | I | 91.9 | Very high | 91.8 | Very high | 79 Ų | 79 | 54 Ų | 54 | 41% | 0.405 | 28% | 0.278 | S | S | . | . | trans | -134.2 | 115 | -177 | -59.3 | 178 | 0 | 0 | 0 | 109.9 | S148 A172 D186 S187 V188 | S148-I170 WeakPolarHBondContact OG-CA 3.34Å; I170-A172 PolarHBondContact O-N 2.91Å; I170-A172 VanDerWaalsContact O-N 3.14Å; I170-D186 PolarHBondContact N-OD1 2.85Å; I170-D186 CarbonylContact O-C 3.57Å; I170-D186 WeakPolarHBondContact O-CA 3.35Å; I170-D186 VanDerWaalsContact O-OD1 3.13Å; I170-S187 WeakPolarHBondContact CB-OG 3.46Å; I170-S187 WeakPolarHBondContact CG2-OG 3.43Å; I170-S187 PolarHBondContact O-N 2.77Å; I170-V188 HydrophobicContact CB-CG2 4.18Å; I170-V188 HydrophobicContact CD1-CG2 3.82Å; I170-V188 HydrophobicContact CG1-CG2 3.87Å | ||
| 171 | V | 94.9 | Very high | 91.7 | Very high | 9 Ų | 9 | 52.5 Ų | 52.5 | 6% | 0.055 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 105.2 | 175.2 | -177.9 | 0 | 0 | 0 | 0 | 110 | K128 C141 S148 I168 G173 L174 A184 V185 | K128-V171 HydrophobicContact CB-CG1 4.49Å; K128-V171 HydrophobicContact CG-CG1 4.33Å; C141-V171 HydrophobicContact CB-CB 4.21Å; C141-V171 HydrophobicContact CB-CG1 4.34Å; C141-V171 HydrophobicContact CB-CG2 4.11Å; S148-V171 PolarHBondContact OG-N 2.82Å; I168-V171 HydrophobicContact CG2-CG2 3.67Å; V171-G173 VanDerWaalsContact CG1-O 3.29Å; V171-G173 WeakPolarHBondContact CG1-O 3.23Å; V171-L174 HydrophobicContact CG1-CB 4.16Å; V171-L174 HydrophobicContact CG1-CD1 4.41Å; V171-A184 HydrophobicContact CG1-CB 4.32Å; V171-V185 WeakPolarHBondContact CA-O 3.37Å |
| 172 | A | 94.9 | Very high | 91.8 | Very high | 13 Ų | 13 | 49.4 Ų | 49.4 | 11% | 0.107 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | -44.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K128 I170 V185 P214 S215 | K128-A172 WeakPolarHBondContact CE-O 3.33Å; K128-A172 PolarHBondContact NZ-O 2.9Å; I170-A172 PolarHBondContact O-N 2.91Å; I170-A172 VanDerWaalsContact O-N 3.14Å; A172-V185 PolarHBondContact N-O 3.3Å; A172-P214 HydrophobicContact CB-CB 4.3Å; A172-P214 HydrophobicContact CB-CG 4.25Å; A172-P214 WeakPolarHBondContact CB-O 3.47Å; A172-S215 CarbonylContact O-C 3.57Å |
| 173 | G | 96 | Very high | 91.9 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 143.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | V171 A184 V185 | V171-G173 VanDerWaalsContact CG1-O 3.29Å; V171-G173 WeakPolarHBondContact CG1-O 3.23Å; G173-A184 WeakPolarHBondContact O-CA 3.35Å; G173-V185 PolarHBondContact O-N 3.15Å |
| 174 | L | 97.4 | Very high | 92.2 | Very high | 15 Ų | 15 | 44 Ų | 44 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 124.8 | 175.4 | -171.5 | 71.4 | 0 | 0 | 0 | 109.9 | K128 A130 V139 M150 V171 I182 V183 A184 | K128-L174 HydrophobicContact CB-CB 3.85Å; K128-L174 HydrophobicContact CB-CD2 3.97Å; K128-L174 HydrophobicContact CG-CB 4.39Å; A130-L174 HydrophobicContact CB-CD2 3.82Å; A130-L174 HydrophobicContact CB-CG 3.92Å; V139-L174 HydrophobicContact CG1-CD2 4.3Å; M150-L174 HydrophobicContact CE-CD1 3.86Å; V171-L174 HydrophobicContact CG1-CB 4.16Å; V171-L174 HydrophobicContact CG1-CD1 4.41Å; L174-I182 HydrophobicContact CD1-CG2 3.85Å; L174-V183 WeakPolarHBondContact CA-O 3.47Å; L174-A184 HydrophobicContact CD1-CB 4.18Å |
| 175 | A | 97.2 | Very high | 92.9 | Very high | 17 Ų | 17 | 41.2 Ų | 41.2 | 14% | 0.14 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 168.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V183 I217 I219 | A175-V183 PolarHBondContact N-O 2.81Å; A175-V183 PolarHBondContact O-N 3.03Å; A175-I217 HydrophobicContact CB-CG2 3.93Å; A175-I219 HydrophobicContact CB-CD1 3.85Å; A175-I219 HydrophobicContact CB-CG1 4.29Å |
| 176 | V | 96.5 | Very high | 93.6 | Very high | 26 Ų | 26 | 40.6 Ų | 40.6 | 16% | 0.158 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 128.8 | 172.1 | 179.8 | 0 | 0 | 0 | 0 | 108.3 | A130 M132 H181 | A130-V176 HydrophobicContact CB-CG2 3.89Å; M132-V176 HydrophobicContact CG-CG1 4.36Å; M132-V176 HydrophobicContact CG-CG2 4.35Å; V176-H181 CarbonylContact C-O 3.51Å; V176-H181 WeakPolarHBondContact CA-O 3.29Å |
| 177 | T | 94.9 | Very high | 94.2 | Very high | 22 Ų | 22 | 33.5 Ų | 33.5 | 14% | 0.135 | 19% | 0.187 | C | C | . | . | trans | -71.1 | 162.8 | 176.4 | 65.1 | 0 | 0 | 0 | 0 | 111.5 | K179 G180 H181 V183 I219 | T177-K179 PolarHBondContact O-N 2.92Å; T177-K179 VanDerWaalsContact O-N 3.1Å; T177-K179 PolarHBondContact OG1-N 3.32Å; T177-G180 PolarHBondContact O-N 2.76Å; T177-H181 HydrophobicContact CG2-CB 4.3Å; T177-H181 PolarHBondContact N-O 2.9Å; T177-H181 WeakPolarHBondContact OG1-CB 3.19Å; T177-H181 PolarHBondContact OG1-N 2.63Å; T177-H181 PolarHBondContact OG1-O 3.32Å; T177-V183 HydrophobicContact CG2-CG2 3.7Å; T177-I219 HydrophobicContact CG2-CD1 3.91Å; T177-I219 HydrophobicContact CG2-CG2 4.25Å | ||
| 178 | A | 90.6 | Very high | 94.6 | Very high | 113 Ų | 113 | 31.8 Ų | 31.8 | 93% | 0.934 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | -25 | 173 | 0 | 0 | 0 | 0 | 0 | 113.7 | G180 | A178-G180 VanDerWaalsContact C-N 3.26Å; A178-G180 PolarHBondContact O-N 3.33Å |
| 179 | K | 91.7 | Very high | 94.8 | Very high | 159 Ų | 159 | 34.3 Ų | 34.3 | 69% | 0.691 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -4 | 175.7 | -63.7 | 178.1 | -176.8 | 169.5 | 0 | 113.2 | T177 | T177-K179 PolarHBondContact O-N 2.92Å; T177-K179 VanDerWaalsContact O-N 3.1Å; T177-K179 PolarHBondContact OG1-N 3.32Å |
| 180 | G | 93.8 | Very high | 95 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 6% | 0.062 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 82.9 | 9.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.5 | M132 T177 A178 | M132-G180 WeakPolarHBondContact CE-O 3.35Å; T177-G180 PolarHBondContact O-N 2.76Å; A178-G180 VanDerWaalsContact C-N 3.26Å; A178-G180 PolarHBondContact O-N 3.33Å |
| 181 | H | 95.6 | Very high | 95.3 | Very high | 57 Ų | 57 | 30.1 Ų | 30.1 | 26% | 0.264 | 19% | 0.186 | S | C | . | . | trans | -74.7 | 137.5 | 169.8 | -59 | 153.4 | 0 | 0 | 0 | 111 | V176 T177 V194 I195 | V176-H181 CarbonylContact C-O 3.51Å; V176-H181 WeakPolarHBondContact CA-O 3.29Å; T177-H181 HydrophobicContact CG2-CB 4.3Å; T177-H181 PolarHBondContact N-O 2.9Å; T177-H181 WeakPolarHBondContact OG1-CB 3.19Å; T177-H181 PolarHBondContact OG1-N 2.63Å; T177-H181 PolarHBondContact OG1-O 3.32Å; H181-V194 HydrophobicContact CB-CG1 3.62Å; H181-I195 CarbonylContact C-O 3.56Å; H181-I195 WeakPolarHBondContact CA-O 3.5Å | ||
| 182 | I | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 131.6 | 174.5 | -56.2 | 168.8 | 0 | 0 | 0 | 107.8 | V139 M150 I152 I163 L174 V194 I195 | V139-I182 HydrophobicContact CG1-CD1 3.98Å; V139-I182 HydrophobicContact CG1-CG1 4.46Å; V139-I182 HydrophobicContact CG1-CG2 4.05Å; V139-I182 HydrophobicContact CG2-CD1 3.76Å; V139-I182 HydrophobicContact CG2-CG1 3.99Å; M150-I182 HydrophobicContact CE-CG2 3.86Å; M150-I182 HydrophobicContact SD-CD1 4.15Å; M150-I182 HydrophobicContact SD-CG2 3.87Å; I152-I182 HydrophobicContact CD1-CD1 4.37Å; I163-I182 HydrophobicContact CD1-CD1 3.56Å; L174-I182 HydrophobicContact CD1-CG2 3.85Å; I182-V194 CarbonylContact O-C 3.59Å; I182-V194 WeakPolarHBondContact O-CA 3.45Å; I182-I195 HydrophobicContact CB-CB 4.37Å; I182-I195 PolarHBondContact N-O 3.31Å; I182-I195 PolarHBondContact O-N 3.24Å |
| 183 | V | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 125.4 | 176.6 | -176.9 | 0 | 0 | 0 | 0 | 109.5 | L174 A175 T177 V192 F193 V194 I217 I219 F224 | L174-V183 WeakPolarHBondContact CA-O 3.47Å; A175-V183 PolarHBondContact N-O 2.81Å; A175-V183 PolarHBondContact O-N 3.03Å; T177-V183 HydrophobicContact CG2-CG2 3.7Å; V183-V192 HydrophobicContact CG1-CG1 3.62Å; V183-F193 VanDerWaalsContact CA-O 3.25Å; V183-F193 WeakPolarHBondContact CA-O 3.47Å; V183-V194 HydrophobicContact CG2-CB 4.49Å; V183-V194 HydrophobicContact CG2-CG1 4.25Å; V183-V194 HydrophobicContact CG2-CG2 4.09Å; V183-I217 HydrophobicContact CG1-CD1 3.71Å; V183-I219 HydrophobicContact CB-CD1 3.49Å; V183-I219 VanDerWaalsContact CB-CD1 3.49Å; V183-I219 HydrophobicContact CG1-CD1 3.83Å; V183-I219 HydrophobicContact CG2-CD1 3.37Å; V183-F224 HydrophobicContact CB-CE1 4.47Å; V183-F224 HydrophobicContact CG1-CD1 4.02Å; V183-F224 HydrophobicContact CG1-CE1 3.71Å; V183-F224 HydrophobicContact CG2-CE1 3.96Å |
| 184 | A | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 138.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110 | M150 I168 V171 G173 L174 F193 | M150-A184 HydrophobicContact CE-CB 4.21Å; I168-A184 HydrophobicContact CD1-CB 3.78Å; V171-A184 HydrophobicContact CG1-CB 4.32Å; G173-A184 WeakPolarHBondContact O-CA 3.35Å; L174-A184 HydrophobicContact CD1-CB 4.18Å; A184-F193 PolarHBondContact N-O 3.31Å; A184-F193 PolarHBondContact O-N 2.99Å |
| 185 | V | 97.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 120 | 172.9 | -172.5 | 0 | 0 | 0 | 0 | 108.2 | V171 A172 G173 T191 V192 P214 I217 V226 | V171-V185 WeakPolarHBondContact CA-O 3.37Å; A172-V185 PolarHBondContact N-O 3.3Å; G173-V185 PolarHBondContact O-N 3.15Å; V185-T191 WeakPolarHBondContact CA-O 3.34Å; V185-V192 HydrophobicContact CG2-CG2 4.24Å; V185-P214 HydrophobicContact CG1-CB 3.7Å; V185-P214 HydrophobicContact CG1-CG 4.06Å; V185-I217 HydrophobicContact CG2-CB 3.84Å; V185-I217 HydrophobicContact CG2-CD1 3.62Å; V185-I217 HydrophobicContact CG2-CG1 4.25Å; V185-I217 HydrophobicContact CG2-CG2 4.06Å; V185-V226 HydrophobicContact CG1-CG1 4.1Å; V185-V226 HydrophobicContact CG2-CG1 4.29Å; V185-V226 HydrophobicContact CG2-CG2 4.49Å |
| 186 | D | 96 | Very high | 95.4 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 139 | 169.6 | -177.1 | 37.8 | 0 | 0 | 0 | 110.2 | I168 D169 I170 V188 S189 P190 T191 F193 | I168-D186 HydrophobicContact CG2-CB 4.14Å; D169-D186 PolarHBondContact N-OD1 2.83Å; I170-D186 PolarHBondContact N-OD1 2.85Å; I170-D186 CarbonylContact O-C 3.57Å; I170-D186 WeakPolarHBondContact O-CA 3.35Å; I170-D186 VanDerWaalsContact O-OD1 3.13Å; D186-V188 PolarHBondContact OD1-N 3.14Å; D186-S189 PolarHBondContact OD2-N 2.71Å; D186-P190 WeakPolarHBondContact O-CA 3.37Å; D186-T191 PolarHBondContact N-O 3.4Å; D186-F193 HydrophobicContact CB-CE2 3.95Å |
| 187 | S | 92.9 | Very high | 95.2 | Very high | 38 Ų | 38 | 29.4 Ų | 29.4 | 27% | 0.266 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -17.5 | 178.9 | 80.6 | 0 | 0 | 0 | 0 | 114.1 | I170 | I170-S187 WeakPolarHBondContact CB-OG 3.46Å; I170-S187 WeakPolarHBondContact CG2-OG 3.43Å; I170-S187 PolarHBondContact O-N 2.77Å |
| 188 | V | 92.3 | Very high | 94.9 | Very high | 78 Ų | 78 | 34.4 Ų | 34.4 | 47% | 0.473 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -48.8 | -178.5 | 179.2 | 0 | 0 | 0 | 0 | 110.1 | D169 I170 D186 | D169-V188 HydrophobicContact CB-CB 3.86Å; D169-V188 HydrophobicContact CB-CG1 4.46Å; D169-V188 HydrophobicContact CB-CG2 3.57Å; I170-V188 HydrophobicContact CB-CG2 4.18Å; I170-V188 HydrophobicContact CD1-CG2 3.82Å; I170-V188 HydrophobicContact CG1-CG2 3.87Å; D186-V188 PolarHBondContact OD1-N 3.14Å |
| 189 | S | 93.3 | Very high | 94.9 | Very high | 55 Ų | 55 | 29.7 Ų | 29.7 | 39% | 0.385 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | 92.1 | 169.9 | -53.4 | 0 | 0 | 0 | 0 | 107.4 | D186 T191 | D186-S189 PolarHBondContact OD2-N 2.71Å; S189-T191 VanDerWaalsContact O-CB 3.27Å; S189-T191 WeakPolarHBondContact O-CB 3.45Å; S189-T191 PolarHBondContact O-N 3.21Å; S189-T191 PolarHBondContact O-OG1 3.03Å |
| 190 | P | 96.4 | Very high | 94.9 | Very high | 19 Ų | 19 | 28.6 Ų | 28.6 | 12% | 0.123 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 102.8 | -170.4 | -26.6 | 33.3 | 0 | 0 | 0 | 112.6 | D186 C207 S208 M211 P214 | D186-P190 WeakPolarHBondContact O-CA 3.37Å; P190-C207 CarbonylContact O-C 3.46Å; P190-C207 PolarHBondContact O-N 2.98Å; P190-C207 PolarHBondContact O-SG 3.22Å; P190-C207 VanDerWaalsContact O-SG 3.36Å; P190-S208 PolarHBondContact O-N 3.37Å; P190-M211 HydrophobicContact CB-CB 3.65Å; P190-M211 HydrophobicContact CB-CG 4.06Å; P190-M211 HydrophobicContact CG-CB 4.03Å; P190-P214 HydrophobicContact CB-CG 4.43Å |
| 191 | T | 97.6 | Very high | 94.9 | Very high | 4 Ų | 4 | 31.4 Ų | 31.4 | 3% | 0.025 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 135.7 | -171 | -56.2 | 0 | 0 | 0 | 0 | 107.7 | V185 D186 S189 F193 W204 F205 | V185-T191 WeakPolarHBondContact CA-O 3.34Å; D186-T191 PolarHBondContact N-O 3.4Å; S189-T191 VanDerWaalsContact O-CB 3.27Å; S189-T191 WeakPolarHBondContact O-CB 3.45Å; S189-T191 PolarHBondContact O-N 3.21Å; S189-T191 PolarHBondContact O-OG1 3.03Å; T191-F193 HydrophobicContact CG2-CD1 4.47Å; T191-F193 HydrophobicContact CG2-CD2 4.09Å; T191-F193 HydrophobicContact CG2-CE1 3.95Å; T191-F193 HydrophobicContact CG2-CE2 3.53Å; T191-F193 HydrophobicContact CG2-CZ 3.46Å; T191-F193 VanDerWaalsContact CG2-CZ 3.46Å; T191-W204 HydrophobicContact CG2-CB 4.42Å; T191-W204 HydrophobicContact CG2-CE3 3.77Å; T191-F205 WeakPolarHBondContact CA-O 3.07Å; T191-F205 WeakPolarHBondContact CG2-O 3.43Å |
| 192 | V | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 125.9 | 173.1 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | V183 V185 W204 F205 I217 F224 V226 | V183-V192 HydrophobicContact CG1-CG1 3.62Å; V185-V192 HydrophobicContact CG2-CG2 4.24Å; V192-W204 CarbonylContact O-C 3.57Å; V192-W204 WeakPolarHBondContact O-CA 3.12Å; V192-W204 WeakPolarHBondContact O-CB 3.27Å; V192-F205 HydrophobicContact CB-CD1 4.15Å; V192-F205 HydrophobicContact CB-CD2 4.13Å; V192-F205 HydrophobicContact CB-CE1 3.68Å; V192-F205 HydrophobicContact CB-CE2 3.67Å; V192-F205 HydrophobicContact CB-CG 4.36Å; V192-F205 HydrophobicContact CB-CZ 3.43Å; V192-F205 VanDerWaalsContact CB-CZ 3.43Å; V192-F205 HydrophobicContact CG1-CE1 3.77Å; V192-F205 HydrophobicContact CG1-CE2 4.46Å; V192-F205 HydrophobicContact CG1-CZ 3.74Å; V192-F205 HydrophobicContact CG2-CD2 4.23Å; V192-F205 HydrophobicContact CG2-CE1 4.27Å; V192-F205 HydrophobicContact CG2-CE2 3.46Å; V192-F205 VanDerWaalsContact CG2-CE2 3.46Å; V192-F205 HydrophobicContact CG2-CZ 3.49Å; V192-F205 VanDerWaalsContact CG2-CZ 3.49Å; V192-F205 PolarHBondContact N-O 3.19Å; V192-F205 PolarHBondContact O-N 3.2Å; V192-I217 HydrophobicContact CG1-CD1 4.31Å; V192-F224 HydrophobicContact CG1-CD1 3.84Å; V192-F224 HydrophobicContact CG1-CE1 4.1Å; V192-V226 HydrophobicContact CG2-CG2 4Å |
| 193 | F | 97.3 | Very high | 94.7 | Very high | 9 Ų | 9 | 36.5 Ų | 36.5 | 4% | 0.039 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 133.7 | 175.8 | -62.6 | -88.3 | 0 | 0 | 0 | 109.9 | Y167 I168 V183 A184 D186 T191 I195 L201 W204 | Y167-F193 HydrophobicContact CG-CE1 4.5Å; I168-F193 HydrophobicContact CD1-CB 4.1Å; I168-F193 HydrophobicContact CD1-CD2 3.76Å; I168-F193 HydrophobicContact CD1-CE2 4.39Å; I168-F193 HydrophobicContact CD1-CG 3.99Å; I168-F193 HydrophobicContact CG1-CD2 3.61Å; I168-F193 HydrophobicContact CG1-CE2 3.73Å; I168-F193 HydrophobicContact CG1-CG 4.08Å; I168-F193 HydrophobicContact CG1-CZ 4.3Å; V183-F193 VanDerWaalsContact CA-O 3.25Å; V183-F193 WeakPolarHBondContact CA-O 3.47Å; A184-F193 PolarHBondContact N-O 3.31Å; A184-F193 PolarHBondContact O-N 2.99Å; D186-F193 HydrophobicContact CB-CE2 3.95Å; T191-F193 HydrophobicContact CG2-CD1 4.47Å; T191-F193 HydrophobicContact CG2-CD2 4.09Å; T191-F193 HydrophobicContact CG2-CE1 3.95Å; T191-F193 HydrophobicContact CG2-CE2 3.53Å; T191-F193 HydrophobicContact CG2-CZ 3.46Å; T191-F193 VanDerWaalsContact CG2-CZ 3.46Å; F193-I195 HydrophobicContact CB-CD1 4.36Å; F193-I195 HydrophobicContact CB-CG1 4.32Å; F193-L201 HydrophobicContact CB-CD1 4.33Å; F193-L201 HydrophobicContact CD1-CD1 3.87Å; F193-W204 HydrophobicContact CD1-CB 3.74Å; F193-W204 HydrophobicContact CE1-CB 4.09Å; F193-W204 HydrophobicContact CE1-CG 4.5Å; F193-W204 HydrophobicContact CG-CB 4.45Å |
| 194 | V | 96.6 | Very high | 94.7 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 120.2 | 171 | -174.8 | 0 | 0 | 0 | 0 | 108 | H181 I182 V183 V202 R203 F224 | H181-V194 HydrophobicContact CB-CG1 3.62Å; I182-V194 CarbonylContact O-C 3.59Å; I182-V194 WeakPolarHBondContact O-CA 3.45Å; V183-V194 HydrophobicContact CG2-CB 4.49Å; V183-V194 HydrophobicContact CG2-CG1 4.25Å; V183-V194 HydrophobicContact CG2-CG2 4.09Å; V194-V202 HydrophobicContact CG1-CB 4.27Å; V194-V202 WeakPolarHBondContact O-CB 3.4Å; V194-V202 PolarHBondContact O-N 3.12Å; V194-R203 HydrophobicContact CB-CG 3.49Å; V194-R203 VanDerWaalsContact CB-CG 3.49Å; V194-R203 HydrophobicContact CG1-CG 4.2Å; V194-R203 HydrophobicContact CG2-CG 3.57Å; V194-R203 PolarHBondContact N-O 3.33Å; V194-R203 PolarHBondContact O-N 2.92Å; V194-F224 HydrophobicContact CG2-CE1 3.87Å; V194-F224 HydrophobicContact CG2-CZ 3.97Å |
| 195 | I | 95.8 | Very high | 94.7 | Very high | 9 Ų | 9 | 42 Ų | 42 | 5% | 0.046 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 135.6 | -169.7 | -53.8 | 164.6 | 0 | 0 | 0 | 107.8 | M150 I163 I165 I168 H181 I182 F193 E200 L201 | M150-I195 HydrophobicContact CE-CD1 4.41Å; I163-I195 HydrophobicContact CG2-CG2 4.15Å; I165-I195 HydrophobicContact CG2-CD1 3.93Å; I168-I195 HydrophobicContact CD1-CD1 4.13Å; H181-I195 CarbonylContact C-O 3.56Å; H181-I195 WeakPolarHBondContact CA-O 3.5Å; I182-I195 HydrophobicContact CB-CB 4.37Å; I182-I195 PolarHBondContact N-O 3.31Å; I182-I195 PolarHBondContact O-N 3.24Å; F193-I195 HydrophobicContact CB-CD1 4.36Å; F193-I195 HydrophobicContact CB-CG1 4.32Å; I195-E200 CarbonylContact C-O 3.5Å; I195-E200 WeakPolarHBondContact CA-O 3.32Å; I195-E200 WeakPolarHBondContact CG2-O 3.19Å; I195-L201 HydrophobicContact CG1-CD1 4.45Å |
| 196 | S | 94.2 | Very high | 94.7 | Very high | 12 Ų | 12 | 45.6 Ų | 45.6 | 8% | 0.084 | 24% | 0.236 | C | C | . | . | trans | -67.1 | 168.6 | 174.6 | 86.9 | 0 | 0 | 0 | 0 | 110.3 | E198 G199 E200 | S196-E198 WeakPolarHBondContact CB-OE2 3.35Å; S196-E198 PolarHBondContact O-N 3.08Å; S196-E198 PolarHBondContact OG-N 2.86Å; S196-E198 VanDerWaalsContact OG-N 3.17Å; S196-E198 PolarHBondContact OG-OE2 2.93Å; S196-G199 PolarHBondContact O-N 3.39Å; S196-G199 VanDerWaalsContact O-N 3.17Å; S196-G199 PolarHBondContact OG-N 2.91Å; S196-E200 PolarHBondContact N-O 3.34Å; S196-E200 PolarHBondContact OG-N 3.06Å | ||
| 197 | E | 91.5 | Very high | 94.7 | Very high | 30 Ų | 30 | 45.5 Ų | 45.5 | 14% | 0.14 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -42 | 173.8 | -162.6 | -161.3 | 122.2 | 0 | 0 | 110 | M132 N135 K137 I152 R161 I163 G199 | M132-E197 HydrophobicContact CE-CB 3.86Å; M132-E197 HydrophobicContact CE-CG 3.46Å; M132-E197 VanDerWaalsContact CE-CG 3.46Å; M132-E197 HydrophobicContact SD-CG 3.63Å; N135-E197 PolarHBondContact ND2-OE2 2.87Å; K137-E197 IonicContact NZ-OE1 3.77Å; K137-E197 PolarHBondContact NZ-OE1 3.29Å; K137-E197 IonicContact NZ-OE2 2.78Å; K137-E197 PolarHBondContact NZ-OE2 3.45Å; I152-E197 HydrophobicContact CD1-CG 3.92Å; R161-E197 PolarHBondContact NH1-O 2.91Å; R161-E197 VanDerWaalsContact NH2-C 3.25Å; R161-E197 VanDerWaalsContact NH2-CG 3.34Å; R161-E197 PolarHBondContact NH2-O 2.75Å; R161-E197 IonicContact NH2-OE1 2.63Å; R161-E197 PolarHBondContact NH2-OE1 2.64Å; I163-E197 WeakPolarHBondContact CD1-O 3.31Å; E197-G199 PolarHBondContact O-N 3.37Å; E197-G199 VanDerWaalsContact O-N 3.12Å |
| 198 | E | 90.3 | Very high | 94.9 | Very high | 127 Ų | 127 | 46 Ų | 46 | 59% | 0.593 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -18 | -177.3 | -61.6 | 66.4 | -141.5 | 0 | 0 | 112.9 | R161 S196 | R161-E198 PolarHBondContact NH1-O 3.46Å; S196-E198 WeakPolarHBondContact CB-OE2 3.35Å; S196-E198 PolarHBondContact O-N 3.08Å; S196-E198 PolarHBondContact OG-N 2.86Å; S196-E198 VanDerWaalsContact OG-N 3.17Å; S196-E198 PolarHBondContact OG-OE2 2.93Å |
| 199 | G | 89.1 | Confident | 95.1 | Very high | 15 Ų | 15 | 49.2 Ų | 49.2 | 16% | 0.155 | 25% | 0.254 | C | S | . | . | S | Bend | trans | 100.4 | 9.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | S196 E197 | S196-G199 PolarHBondContact O-N 3.39Å; S196-G199 VanDerWaalsContact O-N 3.17Å; S196-G199 PolarHBondContact OG-N 2.91Å; E197-G199 PolarHBondContact O-N 3.37Å; E197-G199 VanDerWaalsContact O-N 3.12Å |
| 200 | E | 91.8 | Very high | 95.3 | Very high | 135 Ų | 135 | 50.7 Ų | 50.7 | 63% | 0.631 | 25% | 0.252 | S | S | * | . | trans | -77.7 | 136.9 | 175.9 | -60.9 | -55.2 | 142.3 | 0 | 0 | 110.4 | I195 S196 V202 | I195-E200 CarbonylContact C-O 3.5Å; I195-E200 WeakPolarHBondContact CA-O 3.32Å; I195-E200 WeakPolarHBondContact CG2-O 3.19Å; S196-E200 PolarHBondContact N-O 3.34Å; S196-E200 PolarHBondContact OG-N 3.06Å; E200-V202 PolarHBondContact O-N 2.86Å; E200-V202 VanDerWaalsContact O-N 3.17Å | ||
| 201 | L | 94.1 | Very high | 95.3 | Very high | 66 Ų | 66 | 50.6 Ų | 50.6 | 35% | 0.346 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 109.2 | 174.4 | -178.6 | 61.9 | 0 | 0 | 0 | 109 | Y167 F193 I195 R203 W204 | Y167-L201 HydrophobicContact CD2-CD2 4.42Å; Y167-L201 HydrophobicContact CE2-CD2 4.37Å; F193-L201 HydrophobicContact CB-CD1 4.33Å; F193-L201 HydrophobicContact CD1-CD1 3.87Å; I195-L201 HydrophobicContact CG1-CD1 4.45Å; L201-R203 WeakPolarHBondContact CD1-O 3.44Å; L201-W204 HydrophobicContact CD1-CB 4.39Å |
| 202 | V | 94.6 | Very high | 95.3 | Very high | 68 Ų | 68 | 59 Ų | 59 | 41% | 0.412 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | -45.5 | 179.8 | 179.1 | 0 | 0 | 0 | 0 | 110.1 | V194 E200 | V194-V202 HydrophobicContact CG1-CB 4.27Å; V194-V202 WeakPolarHBondContact O-CB 3.4Å; V194-V202 PolarHBondContact O-N 3.12Å; E200-V202 PolarHBondContact O-N 2.86Å; E200-V202 VanDerWaalsContact O-N 3.17Å |
| 203 | R | 94.5 | Very high | 95.2 | Very high | 95 Ų | 95 | 61.9 Ų | 61.9 | 36% | 0.358 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.9 | 165.1 | 178.1 | 55 | 172.5 | 21 | 144.1 | -18.7 | 110.4 | V194 L201 D239 | V194-R203 HydrophobicContact CB-CG 3.49Å; V194-R203 VanDerWaalsContact CB-CG 3.49Å; V194-R203 HydrophobicContact CG1-CG 4.2Å; V194-R203 HydrophobicContact CG2-CG 3.57Å; V194-R203 PolarHBondContact N-O 3.33Å; V194-R203 PolarHBondContact O-N 2.92Å; L201-R203 WeakPolarHBondContact CD1-O 3.44Å; R203-D239 WeakPolarHBondContact CD-O 3.22Å; R203-D239 IonicContact CZ-OD2 2.72Å; R203-D239 PolarHBondContact NE-O 3.45Å; R203-D239 IonicContact NH1-OD2 3.1Å; R203-D239 PolarHBondContact NH1-OD2 2.93Å; R203-D239 IonicContact NH2-OD2 3.58Å; R203-D239 PolarHBondContact NH2-OD2 3.27Å |
| 204 | W | 96.8 | Very high | 95.2 | Very high | 105 Ų | 105 | 61.8 Ų | 61.8 | 40% | 0.398 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 159.2 | 170.3 | 64 | -81.2 | 0 | 0 | 0 | 109.5 | T191 V192 F193 L201 D206 | T191-W204 HydrophobicContact CG2-CB 4.42Å; T191-W204 HydrophobicContact CG2-CE3 3.77Å; V192-W204 CarbonylContact O-C 3.57Å; V192-W204 WeakPolarHBondContact O-CA 3.12Å; V192-W204 WeakPolarHBondContact O-CB 3.27Å; F193-W204 HydrophobicContact CD1-CB 3.74Å; F193-W204 HydrophobicContact CE1-CB 4.09Å; F193-W204 HydrophobicContact CE1-CG 4.5Å; F193-W204 HydrophobicContact CG-CB 4.45Å; L201-W204 HydrophobicContact CD1-CB 4.39Å; W204-D206 HydrophobicContact CZ3-CB 4.38Å |
| 205 | F | 97.8 | Very high | 95.2 | Very high | 11 Ų | 11 | 62.4 Ų | 62.4 | 5% | 0.048 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 140.7 | 168.5 | 58.9 | -96 | 0 | 0 | 0 | 110.4 | T191 V192 C207 F224 F237 | T191-F205 WeakPolarHBondContact CA-O 3.07Å; T191-F205 WeakPolarHBondContact CG2-O 3.43Å; V192-F205 HydrophobicContact CB-CD1 4.15Å; V192-F205 HydrophobicContact CB-CD2 4.13Å; V192-F205 HydrophobicContact CB-CE1 3.68Å; V192-F205 HydrophobicContact CB-CE2 3.67Å; V192-F205 HydrophobicContact CB-CG 4.36Å; V192-F205 HydrophobicContact CB-CZ 3.43Å; V192-F205 VanDerWaalsContact CB-CZ 3.43Å; V192-F205 HydrophobicContact CG1-CE1 3.77Å; V192-F205 HydrophobicContact CG1-CE2 4.46Å; V192-F205 HydrophobicContact CG1-CZ 3.74Å; V192-F205 HydrophobicContact CG2-CD2 4.23Å; V192-F205 HydrophobicContact CG2-CE1 4.27Å; V192-F205 HydrophobicContact CG2-CE2 3.46Å; V192-F205 VanDerWaalsContact CG2-CE2 3.46Å; V192-F205 HydrophobicContact CG2-CZ 3.49Å; V192-F205 VanDerWaalsContact CG2-CZ 3.49Å; V192-F205 PolarHBondContact N-O 3.19Å; V192-F205 PolarHBondContact O-N 3.2Å; F205-C207 HydrophobicContact CD2-CB 4.43Å; F205-C207 HydrophobicContact CE2-CB 4.4Å; F205-F224 HydrophobicContact CE1-CD1 4.31Å; F205-F224 HydrophobicContact CE1-CG 4.35Å; F205-F224 HydrophobicContact CZ-CB 4.18Å; F205-F224 HydrophobicContact CZ-CD1 4.32Å; F205-F224 HydrophobicContact CZ-CG 4.21Å; F205-F237 HydrophobicContact CE2-CB 3.86Å; F205-F237 HydrophobicContact CE2-CD1 4.05Å; F205-F237 HydrophobicContact CE2-CD2 4.1Å; F205-F237 AromaticContact CE2-CG 3.74Å; F205-F237 HydrophobicContact CE2-CG 3.74Å; F205-F237 HydrophobicContact CZ-CB 3.86Å; F205-F237 HydrophobicContact CZ-CG 4.2Å |
| 206 | D | 97 | Very high | 95.3 | Very high | 76 Ų | 76 | 62.4 Ų | 62.4 | 41% | 0.406 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 136.7 | 172 | -173 | 102.2 | 0 | 0 | 0 | 109.4 | W204 S208 | W204-D206 HydrophobicContact CZ3-CB 4.38Å; D206-S208 PolarHBondContact OD1-OG 3.08Å; D206-S208 VanDerWaalsContact OD2-CB 3.29Å; D206-S208 WeakPolarHBondContact OD2-CB 3.3Å; D206-S208 PolarHBondContact OD2-N 2.83Å; D206-S208 PolarHBondContact OD2-OG 2.98Å |
| 207 | C | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | trans | -129.2 | 18.4 | 174.1 | 62.6 | 0 | 0 | 0 | 0 | 112.5 | P190 F205 D209 Y210 M211 F237 | P190-C207 CarbonylContact O-C 3.46Å; P190-C207 PolarHBondContact O-N 2.98Å; P190-C207 PolarHBondContact O-SG 3.22Å; P190-C207 VanDerWaalsContact O-SG 3.36Å; F205-C207 HydrophobicContact CD2-CB 4.43Å; F205-C207 HydrophobicContact CE2-CB 4.4Å; C207-D209 PolarHBondContact O-N 2.81Å; C207-Y210 CarbonylContact O-C 3.54Å; C207-Y210 WeakPolarHBondContact O-CA 3.31Å; C207-Y210 PolarHBondContact O-N 3.47Å; C207-M211 HydrophobicContact CB-CG 4.26Å; C207-M211 WeakPolarHBondContact O-CB 3.28Å; C207-M211 WeakPolarHBondContact O-CG 3.16Å; C207-M211 PolarHBondContact O-N 2.98Å; C207-M211 VanDerWaalsContact O-N 3.16Å; C207-F237 HydrophobicContact CB-CE1 4Å; C207-F237 HydrophobicContact CB-CE2 4.17Å; C207-F237 HydrophobicContact CB-CZ 3.64Å | ||
| 208 | S | 96.8 | Very high | 95.7 | Very high | 48 Ų | 48 | 60.6 Ų | 60.6 | 34% | 0.336 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -62.5 | -38.4 | -174.6 | 65.7 | 0 | 0 | 0 | 0 | 113 | P190 D206 Y210 M211 | P190-S208 PolarHBondContact O-N 3.37Å; D206-S208 PolarHBondContact OD1-OG 3.08Å; D206-S208 VanDerWaalsContact OD2-CB 3.29Å; D206-S208 WeakPolarHBondContact OD2-CB 3.3Å; D206-S208 PolarHBondContact OD2-N 2.83Å; D206-S208 PolarHBondContact OD2-OG 2.98Å; S208-Y210 PolarHBondContact O-N 2.91Å; S208-Y210 VanDerWaalsContact O-N 3.08Å; S208-M211 PolarHBondContact O-N 2.82Å |
| 209 | D | 97.2 | Very high | 96 | Very high | 145 Ų | 145 | 56.3 Ų | 56.3 | 78% | 0.775 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -62.2 | -18.8 | 174.6 | -73.2 | -26.4 | 0 | 0 | 0 | 113.2 | C207 | C207-D209 PolarHBondContact O-N 2.81Š|
| 210 | Y | 97.5 | Very high | 96.2 | Very high | 87 Ų | 87 | 57.5 Ų | 57.5 | 34% | 0.341 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -110.3 | -1.8 | -177.2 | -56.8 | -80 | 0 | 0 | 0 | 113.7 | C207 S208 F237 F243 R246 | C207-Y210 CarbonylContact O-C 3.54Å; C207-Y210 WeakPolarHBondContact O-CA 3.31Å; C207-Y210 PolarHBondContact O-N 3.47Å; S208-Y210 PolarHBondContact O-N 2.91Å; S208-Y210 VanDerWaalsContact O-N 3.08Å; Y210-F237 AromaticContact CD2-CE1 3.68Å; Y210-F237 HydrophobicContact CD2-CE1 3.68Å; Y210-F237 HydrophobicContact CD2-CZ 4.09Å; Y210-F237 HydrophobicContact CE2-CE1 4.25Å; Y210-F237 HydrophobicContact CG-CE1 4.03Å; Y210-F237 HydrophobicContact CG-CZ 4.07Å; Y210-F243 HydrophobicContact CD1-CB 4.3Å; Y210-F243 HydrophobicContact CD1-CD1 4.17Å; Y210-F243 AromaticContact CD1-CD2 3.53Å; Y210-F243 HydrophobicContact CD1-CD2 3.53Å; Y210-F243 HydrophobicContact CD1-CE1 4.43Å; Y210-F243 AromaticContact CD1-CE2 3.82Å; Y210-F243 HydrophobicContact CD1-CE2 3.82Å; Y210-F243 AromaticContact CD1-CG 3.72Å; Y210-F243 HydrophobicContact CD1-CG 3.72Å; Y210-F243 HydrophobicContact CD1-CZ 4.26Å; Y210-F243 HydrophobicContact CD2-CB 4.43Å; Y210-F243 HydrophobicContact CE1-CB 3.75Å; Y210-F243 AromaticContact CE1-CD1 3.6Å; Y210-F243 HydrophobicContact CE1-CD1 3.6Å; Y210-F243 AromaticContact CE1-CD2 3.74Å; Y210-F243 HydrophobicContact CE1-CD2 3.74Å; Y210-F243 HydrophobicContact CE1-CE1 4.11Å; Y210-F243 HydrophobicContact CE1-CE2 4.24Å; Y210-F243 AromaticContact CE1-CG 3.38Å; Y210-F243 HydrophobicContact CE1-CG 3.38Å; Y210-F243 HydrophobicContact CE1-CZ 4.4Å; Y210-F243 HydrophobicContact CE2-CB 3.89Å; Y210-F243 HydrophobicContact CE2-CG 4.36Å; Y210-F243 AromaticContact CG-CD2 3.96Å; Y210-F243 HydrophobicContact CG-CD2 3.96Å; Y210-F243 HydrophobicContact CG-CE2 4.47Å; Y210-F243 HydrophobicContact CG-CG 4.34Å; Y210-F243 AromaticContact CZ-CG 3.74Å; Y210-R246 VanDerWaalsContact CA-NH2 3.27Å; Y210-R246 VanDerWaalsContact O-CZ 3.31Å; Y210-R246 PolarHBondContact O-NH1 3.34Å; Y210-R246 PolarHBondContact O-NH2 3.04Å |
| 211 | M | 96.8 | Very high | 96.1 | Very high | 16 Ų | 16 | 56.7 Ų | 56.7 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | trans | -126.3 | 131.3 | -171.1 | -70.9 | -65.3 | 161.5 | 0 | 0 | 112.2 | P190 C207 S208 P214 V226 D228 A235 F237 | P190-M211 HydrophobicContact CB-CB 3.65Å; P190-M211 HydrophobicContact CB-CG 4.06Å; P190-M211 HydrophobicContact CG-CB 4.03Å; C207-M211 HydrophobicContact CB-CG 4.26Å; C207-M211 WeakPolarHBondContact O-CB 3.28Å; C207-M211 WeakPolarHBondContact O-CG 3.16Å; C207-M211 PolarHBondContact O-N 2.98Å; C207-M211 VanDerWaalsContact O-N 3.16Å; S208-M211 PolarHBondContact O-N 2.82Å; M211-P214 HydrophobicContact SD-CB 4.41Å; M211-V226 HydrophobicContact CE-CB 3.44Å; M211-V226 VanDerWaalsContact CE-CB 3.44Å; M211-V226 HydrophobicContact CE-CG1 3.4Å; M211-V226 VanDerWaalsContact CE-CG1 3.4Å; M211-V226 HydrophobicContact CE-CG2 4.42Å; M211-V226 HydrophobicContact SD-CG1 4Å; M211-D228 HydrophobicContact SD-CB 3.77Å; M211-A235 HydrophobicContact CE-CB 3.58Å; M211-F237 HydrophobicContact CE-CE2 3.78Å; M211-F237 HydrophobicContact CE-CZ 4.16Å | ||
| 212 | R | 96.9 | Very high | 96 | Very high | 180 Ų | 180 | 57.5 Ų | 57.5 | 68% | 0.679 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -93.4 | -46.5 | 166 | -60.9 | -176.4 | -169.4 | 169.4 | -1.2 | 112 | D228 K230 | R212-D228 PolarHBondContact N-OD1 3.45Å; R212-D228 PolarHBondContact N-OD2 2.73Å; R212-K230 HydrophobicContact CB-CB 3.67Å; R212-K230 WeakPolarHBondContact CD-O 3.04Å; R212-K230 PolarHBondContact NH1-O 3.43Å |
| 213 | E | 96.5 | Very high | 96 | Very high | 62 Ų | 62 | 55 Ų | 55 | 29% | 0.29 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -155.7 | 98.1 | 177.9 | -172.6 | 171.5 | 148.3 | 0 | 0 | 110.1 | D228 F229 K230 | E213-D228 PolarHBondContact N-OD1 2.99Å; E213-D228 CarbonylContact O-C 3.51Å; E213-F229 HydrophobicContact CB-CB 4.35Å; E213-F229 HydrophobicContact CG-CB 4.43Å; E213-F229 WeakPolarHBondContact O-CB 3.32Å; E213-F229 PolarHBondContact O-N 2.72Å; E213-K230 HydrophobicContact CB-CB 3.94Å; E213-K230 HydrophobicContact CB-CD 4.14Å; E213-K230 HydrophobicContact CB-CG 3.95Å; E213-K230 WeakPolarHBondContact OE2-CD 3.45Å; E213-K230 WeakPolarHBondContact OE2-CE 3.4Å; E213-K230 WeakPolarHBondContact OE2-CG 3.49Å; E213-K230 IonicContact OE2-NZ 2.99Å; E213-K230 PolarHBondContact OE2-NZ 2.88Å |
| 214 | P | 97.1 | Very high | 96.2 | Very high | 6 Ų | 6 | 50.9 Ų | 50.9 | 4% | 0.039 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 141.7 | -179.6 | 28.5 | -34.3 | 0 | 0 | 0 | 111.3 | A172 V185 P190 M211 V226 C227 | A172-P214 HydrophobicContact CB-CB 4.3Å; A172-P214 HydrophobicContact CB-CG 4.25Å; A172-P214 WeakPolarHBondContact CB-O 3.47Å; V185-P214 HydrophobicContact CG1-CB 3.7Å; V185-P214 HydrophobicContact CG1-CG 4.06Å; P190-P214 HydrophobicContact CB-CG 4.43Å; M211-P214 HydrophobicContact SD-CB 4.41Å; P214-V226 HydrophobicContact CB-CG1 4.23Å; P214-C227 CarbonylContact C-O 3.56Å; P214-C227 VanDerWaalsContact CA-O 3.23Å; P214-C227 WeakPolarHBondContact CA-O 3.23Å |
| 215 | S | 96.2 | Very high | 96.3 | Very high | 17 Ų | 17 | 45.9 Ų | 45.9 | 12% | 0.119 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | -28.5 | -176.1 | 54.8 | 0 | 0 | 0 | 0 | 115.7 | K128 A172 C227 P256 | K128-S215 PolarHBondContact NZ-O 3.29Å; A172-S215 CarbonylContact O-C 3.57Å; S215-C227 PolarHBondContact N-O 3.34Å; S215-C227 VanDerWaalsContact OG-CB 3.24Å; S215-C227 WeakPolarHBondContact OG-CB 3.42Å; S215-P256 PolarHBondContact OG-O 2.8Å |
| 216 | D | 97.3 | Very high | 96.3 | Very high | 9 Ų | 9 | 45.3 Ų | 45.3 | 5% | 0.048 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 170.5 | 178.9 | -153.5 | 16.1 | 0 | 0 | 0 | 111.4 | K128 C227 I259 | K128-D216 IonicContact NZ-OD1 2.68Å; D216-C227 HydrophobicContact CB-CB 4.3Å; D216-C227 PolarHBondContact O-N 2.87Å; D216-I259 HydrophobicContact CB-CG2 4.14Å; D216-I259 PolarHBondContact OD2-N 2.63Å |
| 217 | I | 98.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 142.1 | 178.5 | -170.5 | 172 | 0 | 0 | 0 | 111.9 | A175 V183 V185 V192 I219 F224 Y225 V226 | A175-I217 HydrophobicContact CB-CG2 3.93Å; V183-I217 HydrophobicContact CG1-CD1 3.71Å; V185-I217 HydrophobicContact CG2-CB 3.84Å; V185-I217 HydrophobicContact CG2-CD1 3.62Å; V185-I217 HydrophobicContact CG2-CG1 4.25Å; V185-I217 HydrophobicContact CG2-CG2 4.06Å; V192-I217 HydrophobicContact CG1-CD1 4.31Å; I217-I219 HydrophobicContact CD1-CG1 4.37Å; I217-I219 HydrophobicContact CG1-CG1 4.34Å; I217-F224 HydrophobicContact CD1-CD1 4.1Å; I217-Y225 WeakPolarHBondContact CA-O 2.91Å; I217-V226 HydrophobicContact CD1-CG2 3.91Å; I217-V226 HydrophobicContact CG1-CG2 4.09Å |
| 218 | A | 97.6 | Very high | 96.4 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 3% | 0.033 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 154.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y225 I259 I261 | A218-Y225 PolarHBondContact N-O 3.48Å; A218-Y225 PolarHBondContact O-N 3.37Å; A218-I259 HydrophobicContact CB-CB 4.41Å; A218-I259 HydrophobicContact CB-CD1 4.18Å; A218-I259 HydrophobicContact CB-CG1 3.93Å; A218-I259 HydrophobicContact CB-CG2 3.85Å; A218-I261 HydrophobicContact CB-CD1 3.73Å; A218-I261 HydrophobicContact CB-CG1 3.81Å |
| 219 | I | 96.3 | Very high | 96.4 | Very high | 36 Ų | 36 | 41 Ų | 41 | 19% | 0.185 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 135.5 | -175.4 | -54.6 | 168.3 | 0 | 0 | 0 | 108.2 | A175 T177 V183 I217 F224 | A175-I219 HydrophobicContact CB-CD1 3.85Å; A175-I219 HydrophobicContact CB-CG1 4.29Å; T177-I219 HydrophobicContact CG2-CD1 3.91Å; T177-I219 HydrophobicContact CG2-CG2 4.25Å; V183-I219 HydrophobicContact CB-CD1 3.49Å; V183-I219 VanDerWaalsContact CB-CD1 3.49Å; V183-I219 HydrophobicContact CG1-CD1 3.83Å; V183-I219 HydrophobicContact CG2-CD1 3.37Å; I217-I219 HydrophobicContact CD1-CG1 4.37Å; I217-I219 HydrophobicContact CG1-CG1 4.34Å; I219-F224 HydrophobicContact CD1-CD1 4.28Å; I219-F224 HydrophobicContact CD1-CE1 4.1Å; I219-F224 HydrophobicContact CG1-CD1 4.2Å; I219-F224 HydrophobicContact CG1-CE1 4.44Å |
| 220 | R | 92.9 | Very high | 96.4 | Very high | 40 Ų | 40 | 38.2 Ų | 38.2 | 15% | 0.151 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 131.2 | 170.7 | 176.9 | 172.2 | 51.7 | 130.7 | -15.8 | 109.4 | N222 D223 Y225 I261 G265 | R220-N222 PolarHBondContact O-N 2.87Å; R220-N222 VanDerWaalsContact O-N 3.08Å; R220-D223 PolarHBondContact N-O 2.81Å; R220-D223 VanDerWaalsContact N-O 3.09Å; R220-D223 PolarHBondContact O-N 3.28Å; R220-Y225 HydrophobicContact CB-CE2 4.48Å; R220-Y225 PolarHBondContact NH2-OH 3.34Å; R220-I261 HydrophobicContact CB-CD1 3.85Å; R220-I261 HydrophobicContact CB-CG2 4.29Å; R220-G265 PolarHBondContact NH2-O 2.85Å |
| 221 | D | 89.2 | Confident | 96.3 | Very high | 118 Ų | 118 | 34.8 Ų | 34.8 | 63% | 0.631 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | -111.4 | -174.1 | -51.9 | -39.4 | 0 | 0 | 0 | 110.9 | R284 | D221-R284 IonicContact OD2-NH1 3.8Å; D221-R284 IonicContact OD2-NH2 2.68Å |
| 222 | N | 91.3 | Very high | 96.4 | Very high | 83 Ų | 83 | 35.5 Ų | 35.5 | 44% | 0.444 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | 5.5 | 176.5 | -66.6 | -17.1 | 0 | 0 | 0 | 112.9 | R220 F224 Q238 D239 | R220-N222 PolarHBondContact O-N 2.87Å; R220-N222 VanDerWaalsContact O-N 3.08Å; N222-F224 WeakPolarHBondContact O-CD2 3.35Å; N222-Q238 CarbonylContact O-C 3.54Å; N222-D239 HydrophobicContact CB-CB 4.33Å; N222-D239 PolarHBondContact O-N 2.86Å |
| 223 | D | 96.3 | Very high | 96.4 | Very high | 16 Ų | 16 | 27.2 Ų | 27.2 | 9% | 0.086 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 131.3 | -177 | -61 | -21.3 | 0 | 0 | 0 | 110.4 | R220 Y225 V236 F237 R284 | R220-D223 PolarHBondContact N-O 2.81Å; R220-D223 VanDerWaalsContact N-O 3.09Å; R220-D223 PolarHBondContact O-N 3.28Å; D223-Y225 HydrophobicContact CB-CD2 4.28Å; D223-Y225 HydrophobicContact CB-CE2 3.45Å; D223-Y225 VanDerWaalsContact CB-CE2 3.45Å; D223-V236 HydrophobicContact CB-CG1 4.29Å; D223-F237 CarbonylContact C-O 3.48Å; D223-F237 WeakPolarHBondContact CA-O 3.34Å; D223-R284 IonicContact OD2-CZ 3.82Å; D223-R284 IonicContact OD2-NE 3.85Å; D223-R284 IonicContact OD2-NH2 3.6Å; D223-R284 PolarHBondContact OD2-NH2 2.96Å |
| 224 | F | 98.1 | Very high | 96.5 | Very high | 8 Ų | 8 | 24.3 Ų | 24.3 | 4% | 0.035 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 116.4 | -178.5 | -70.4 | -113.5 | 0 | 0 | 0 | 108.9 | V183 V192 V194 F205 I217 I219 N222 V236 F237 D239 | V183-F224 HydrophobicContact CB-CE1 4.47Å; V183-F224 HydrophobicContact CG1-CD1 4.02Å; V183-F224 HydrophobicContact CG1-CE1 3.71Å; V183-F224 HydrophobicContact CG2-CE1 3.96Å; V192-F224 HydrophobicContact CG1-CD1 3.84Å; V192-F224 HydrophobicContact CG1-CE1 4.1Å; V194-F224 HydrophobicContact CG2-CE1 3.87Å; V194-F224 HydrophobicContact CG2-CZ 3.97Å; F205-F224 HydrophobicContact CE1-CD1 4.31Å; F205-F224 HydrophobicContact CE1-CG 4.35Å; F205-F224 HydrophobicContact CZ-CB 4.18Å; F205-F224 HydrophobicContact CZ-CD1 4.32Å; F205-F224 HydrophobicContact CZ-CG 4.21Å; I217-F224 HydrophobicContact CD1-CD1 4.1Å; I219-F224 HydrophobicContact CD1-CD1 4.28Å; I219-F224 HydrophobicContact CD1-CE1 4.1Å; I219-F224 HydrophobicContact CG1-CD1 4.2Å; I219-F224 HydrophobicContact CG1-CE1 4.44Å; N222-F224 WeakPolarHBondContact O-CD2 3.35Å; F224-V236 WeakPolarHBondContact O-CA 3.39Å; F224-F237 HydrophobicContact CB-CB 4.38Å; F224-F237 PolarHBondContact N-O 2.88Å; F224-F237 PolarHBondContact O-N 2.81Å; F224-D239 HydrophobicContact CD2-CB 4.4Å; F224-D239 HydrophobicContact CE2-CB 3.62Å; F224-D239 HydrophobicContact CZ-CB 4.39Å |
| 225 | Y | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 101.1 | -176.5 | -62.2 | -106.5 | 0 | 0 | 0 | 108.5 | I217 A218 R220 D223 V234 V236 I247 I261 V267 | I217-Y225 WeakPolarHBondContact CA-O 2.91Å; A218-Y225 PolarHBondContact N-O 3.48Å; A218-Y225 PolarHBondContact O-N 3.37Å; R220-Y225 HydrophobicContact CB-CE2 4.48Å; R220-Y225 PolarHBondContact NH2-OH 3.34Å; D223-Y225 HydrophobicContact CB-CD2 4.28Å; D223-Y225 HydrophobicContact CB-CE2 3.45Å; D223-Y225 VanDerWaalsContact CB-CE2 3.45Å; Y225-V234 HydrophobicContact CD1-CG1 4.35Å; Y225-V236 HydrophobicContact CD1-CB 4.45Å; Y225-V236 HydrophobicContact CD1-CG1 4.02Å; Y225-V236 HydrophobicContact CD1-CG2 3.64Å; Y225-V236 HydrophobicContact CE1-CG1 3.81Å; Y225-V236 HydrophobicContact CE1-CG2 3.82Å; Y225-V236 HydrophobicContact CE2-CG1 4.33Å; Y225-V236 HydrophobicContact CG-CG1 4.36Å; Y225-V236 HydrophobicContact CG-CG2 4.44Å; Y225-I247 HydrophobicContact CD1-CD1 4.12Å; Y225-I247 HydrophobicContact CE1-CD1 4Å; Y225-I261 HydrophobicContact CD1-CD1 4.44Å; Y225-I261 HydrophobicContact CD2-CD1 3.33Å; Y225-I261 HydrophobicContact CE2-CD1 3.56Å; Y225-I261 HydrophobicContact CG-CD1 3.83Å; Y225-V267 HydrophobicContact CD1-CG1 4.19Å; Y225-V267 HydrophobicContact CD1-CG2 4.04Å; Y225-V267 HydrophobicContact CE1-CG2 3.64Å |
| 226 | V | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 119.8 | -175 | -175.2 | 0 | 0 | 0 | 0 | 109.3 | V185 V192 M211 P214 I217 V234 A235 F237 | V185-V226 HydrophobicContact CG1-CG1 4.1Å; V185-V226 HydrophobicContact CG2-CG1 4.29Å; V185-V226 HydrophobicContact CG2-CG2 4.49Å; V192-V226 HydrophobicContact CG2-CG2 4Å; M211-V226 HydrophobicContact CE-CB 3.44Å; M211-V226 VanDerWaalsContact CE-CB 3.44Å; M211-V226 HydrophobicContact CE-CG1 3.4Å; M211-V226 VanDerWaalsContact CE-CG1 3.4Å; M211-V226 HydrophobicContact CE-CG2 4.42Å; M211-V226 HydrophobicContact SD-CG1 4Å; P214-V226 HydrophobicContact CB-CG1 4.23Å; I217-V226 HydrophobicContact CD1-CG2 3.91Å; I217-V226 HydrophobicContact CG1-CG2 4.09Å; V226-V234 CarbonylContact O-C 3.57Å; V226-V234 WeakPolarHBondContact O-CA 3.45Å; V226-A235 PolarHBondContact N-O 2.89Å; V226-A235 PolarHBondContact O-N 3.36Å; V226-F237 HydrophobicContact CB-CE2 4.48Å; V226-F237 HydrophobicContact CG2-CD2 4.31Å; V226-F237 HydrophobicContact CG2-CE2 4.36Å |
| 227 | C | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 131.5 | 174.6 | -75 | 0 | 0 | 0 | 0 | 110.9 | P214 S215 D216 P256 I259 | P214-C227 CarbonylContact C-O 3.56Å; P214-C227 VanDerWaalsContact CA-O 3.23Å; P214-C227 WeakPolarHBondContact CA-O 3.23Å; S215-C227 PolarHBondContact N-O 3.34Å; S215-C227 VanDerWaalsContact OG-CB 3.24Å; S215-C227 WeakPolarHBondContact OG-CB 3.42Å; D216-C227 HydrophobicContact CB-CB 4.3Å; D216-C227 PolarHBondContact O-N 2.87Å; C227-P256 HydrophobicContact CB-CG 4.48Å; C227-I259 WeakPolarHBondContact SG-CB 3.28Å; C227-I259 VanDerWaalsContact SG-CG2 3.53Å |
| 228 | D | 97.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.011 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 104.1 | 169.7 | -173.8 | -6.6 | 0 | 0 | 0 | 109.6 | M211 R212 E213 K230 G231 H232 C233 P256 | M211-D228 HydrophobicContact SD-CB 3.77Å; R212-D228 PolarHBondContact N-OD1 3.45Å; R212-D228 PolarHBondContact N-OD2 2.73Å; E213-D228 PolarHBondContact N-OD1 2.99Å; E213-D228 CarbonylContact O-C 3.51Å; D228-K230 PolarHBondContact OD1-N 2.9Å; D228-G231 VanDerWaalsContact CG-CA 3.45Å; D228-G231 PolarHBondContact O-N 3.37Å; D228-G231 PolarHBondContact OD1-N 3.45Å; D228-G231 WeakPolarHBondContact OD2-CA 3.37Å; D228-G231 PolarHBondContact OD2-N 2.68Å; D228-H232 PolarHBondContact O-N 3.04Å; D228-C233 PolarHBondContact N-O 2.87Å; D228-C233 PolarHBondContact O-N 3.47Å; D228-P256 WeakPolarHBondContact O-CG 3.42Å |
| 229 | F | 96.5 | Very high | 96.4 | Very high | 30 Ų | 30 | 27.9 Ų | 27.9 | 13% | 0.132 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -53.5 | -179.2 | -179.6 | -104.1 | 0 | 0 | 0 | 111.7 | E213 G231 H232 F255 N257 | E213-F229 HydrophobicContact CB-CB 4.35Å; E213-F229 HydrophobicContact CG-CB 4.43Å; E213-F229 WeakPolarHBondContact O-CB 3.32Å; E213-F229 PolarHBondContact O-N 2.72Å; F229-G231 VanDerWaalsContact C-N 3.34Å; F229-H232 PolarHBondContact O-N 2.91Å; F229-F255 HydrophobicContact CD1-CD1 4.09Å; F229-F255 HydrophobicContact CD2-CB 3.82Å; F229-F255 HydrophobicContact CD2-CD1 4.45Å; F229-F255 AromaticContact CE1-CD1 3.69Å; F229-F255 HydrophobicContact CE1-CD1 3.69Å; F229-F255 HydrophobicContact CE1-CE1 4.35Å; F229-F255 HydrophobicContact CE2-CB 3.46Å; F229-F255 VanDerWaalsContact CE2-CB 3.46Å; F229-F255 HydrophobicContact CE2-CD1 4.13Å; F229-F255 HydrophobicContact CE2-CG 4.23Å; F229-F255 HydrophobicContact CG-CD1 4.44Å; F229-F255 HydrophobicContact CZ-CB 3.86Å; F229-F255 AromaticContact CZ-CD1 3.71Å; F229-F255 HydrophobicContact CZ-CD1 3.71Å; F229-F255 HydrophobicContact CZ-CG 4.14Å; F229-F255 WeakPolarHBondContact O-CA 3.32Å; F229-N257 WeakPolarHBondContact CD2-OD1 3.31Å; F229-N257 WeakPolarHBondContact CE2-ND2 3.21Å; F229-N257 VanDerWaalsContact CE2-OD1 3.32Å; F229-N257 WeakPolarHBondContact CE2-OD1 3.39Å |
| 230 | K | 96.7 | Very high | 96.3 | Very high | 87 Ų | 87 | 30.5 Ų | 30.5 | 38% | 0.378 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -16.2 | 179.7 | -80.4 | -174.2 | 175.1 | 140.1 | 0 | 113.3 | R212 E213 D228 | R212-K230 HydrophobicContact CB-CB 3.67Å; R212-K230 WeakPolarHBondContact CD-O 3.04Å; R212-K230 PolarHBondContact NH1-O 3.43Å; E213-K230 HydrophobicContact CB-CB 3.94Å; E213-K230 HydrophobicContact CB-CD 4.14Å; E213-K230 HydrophobicContact CB-CG 3.95Å; E213-K230 WeakPolarHBondContact OE2-CD 3.45Å; E213-K230 WeakPolarHBondContact OE2-CE 3.4Å; E213-K230 WeakPolarHBondContact OE2-CG 3.49Å; E213-K230 IonicContact OE2-NZ 2.99Å; E213-K230 PolarHBondContact OE2-NZ 2.88Å; D228-K230 PolarHBondContact OD1-N 2.9Å |
| 231 | G | 97.3 | Very high | 96.5 | Very high | 16 Ų | 16 | 29.4 Ų | 29.4 | 17% | 0.165 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -10.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D228 F229 C233 | D228-G231 VanDerWaalsContact CG-CA 3.45Å; D228-G231 PolarHBondContact O-N 3.37Å; D228-G231 PolarHBondContact OD1-N 3.45Å; D228-G231 WeakPolarHBondContact OD2-CA 3.37Å; D228-G231 PolarHBondContact OD2-N 2.68Å; F229-G231 VanDerWaalsContact C-N 3.34Å; G231-C233 PolarHBondContact O-N 3.3Å; G231-C233 PolarHBondContact O-SG 2.98Å; G231-C233 VanDerWaalsContact O-SG 3.4Å |
| 232 | H | 97.7 | Very high | 96.9 | Very high | 30 Ų | 30 | 26.9 Ų | 26.9 | 14% | 0.139 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 31.8 | -176.9 | -45.8 | -70.5 | 0 | 0 | 0 | 113.9 | D228 F229 N249 E250 T253 F255 | D228-H232 PolarHBondContact O-N 3.04Å; F229-H232 PolarHBondContact O-N 2.91Å; H232-N249 CarbonylContact O-C 3.58Å; H232-N249 VanDerWaalsContact O-CA 3.26Å; H232-N249 WeakPolarHBondContact O-CA 3.28Å; H232-N249 PolarHBondContact O-N 3.28Å; H232-E250 HydrophobicContact CB-CB 4.14Å; H232-T253 CarbonylContact C-O 3.55Å; H232-T253 VanDerWaalsContact C-O 3.29Å; H232-T253 WeakPolarHBondContact CA-O 3.4Å; H232-T253 WeakPolarHBondContact CB-O 3.22Å; H232-T253 VanDerWaalsContact O-O 3.06Å; H232-T253 PolarHBondContact O-OG1 3.46Å; H232-F255 AromaticContact CE1-CD1 3.65Å; H232-F255 AromaticContact CE1-CD2 3.75Å; H232-F255 AromaticContact CE1-CE1 3.45Å; H232-F255 VanDerWaalsContact CE1-CE1 3.45Å; H232-F255 WeakPolarHBondContact CE1-CE1 3.41Å; H232-F255 AromaticContact CE1-CE2 3.55Å; H232-F255 AromaticContact CE1-CG 3.82Å; H232-F255 AromaticContact CE1-CZ 3.43Å; H232-F255 VanDerWaalsContact CE1-CZ 3.43Å; H232-F255 WeakPolarHBondContact CE1-CZ 3.33Å; H232-F255 AromaticContact ND1-CD1 3.89Å; H232-F255 AromaticContact ND1-CD2 3.83Å; H232-F255 AromaticContact ND1-CG 3.75Å; H232-F255 PolarHBondContact ND1-N 2.76Å |
| 233 | C | 98 | Very high | 97.2 | Very high | 7 Ų | 7 | 25.8 Ų | 25.8 | 5% | 0.047 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 180 | -174 | 64.8 | 0 | 0 | 0 | 0 | 111.5 | D228 G231 R246 I247 | D228-C233 PolarHBondContact N-O 2.87Å; D228-C233 PolarHBondContact O-N 3.47Å; G231-C233 PolarHBondContact O-N 3.3Å; G231-C233 PolarHBondContact O-SG 2.98Å; G231-C233 VanDerWaalsContact O-SG 3.4Å; C233-R246 PolarHBondContact SG-NH1 3.4Å; C233-R246 VanDerWaalsContact SG-NH1 3.35Å; C233-I247 CarbonylContact C-O 3.53Å; C233-I247 WeakPolarHBondContact CA-O 3.36Å; C233-I247 VanDerWaalsContact CB-O 3.31Å; C233-I247 WeakPolarHBondContact CB-O 3.43Å |
| 234 | V | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 129.2 | 169 | 172.9 | 0 | 0 | 0 | 0 | 107.5 | Y225 V226 R246 I247 I259 I269 | Y225-V234 HydrophobicContact CD1-CG1 4.35Å; V226-V234 CarbonylContact O-C 3.57Å; V226-V234 WeakPolarHBondContact O-CA 3.45Å; V234-R246 CarbonylContact O-C 3.56Å; V234-R246 VanDerWaalsContact O-CA 3.25Å; V234-R246 WeakPolarHBondContact O-CA 3.22Å; V234-I247 HydrophobicContact CB-CB 4.38Å; V234-I247 PolarHBondContact N-O 3.45Å; V234-I247 PolarHBondContact O-N 3.4Å; V234-I259 HydrophobicContact CB-CD1 4.49Å; V234-I259 HydrophobicContact CG1-CD1 3.79Å; V234-I259 HydrophobicContact CG2-CD1 3.88Å; V234-I269 HydrophobicContact CB-CD1 4.13Å; V234-I269 HydrophobicContact CG2-CD1 3.48Å; V234-I269 VanDerWaalsContact CG2-CD1 3.48Å; V234-I269 HydrophobicContact CG2-CG1 3.85Å; V234-I269 HydrophobicContact CG2-CG2 4.25Å |
| 235 | A | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 136.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | M211 V226 F237 F243 | M211-A235 HydrophobicContact CE-CB 3.58Å; V226-A235 PolarHBondContact N-O 2.89Å; V226-A235 PolarHBondContact O-N 3.36Å; A235-F237 HydrophobicContact CB-CD2 4.48Å; A235-F237 HydrophobicContact CB-CE2 3.52Å; A235-F237 HydrophobicContact CB-CZ 3.77Å; A235-F243 HydrophobicContact CB-CE2 4.14Å |
| 236 | V | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 129.4 | -177.1 | -166.9 | 0 | 0 | 0 | 0 | 109.4 | D223 F224 Y225 L244 Y245 I247 | D223-V236 HydrophobicContact CB-CG1 4.29Å; F224-V236 WeakPolarHBondContact O-CA 3.39Å; Y225-V236 HydrophobicContact CD1-CB 4.45Å; Y225-V236 HydrophobicContact CD1-CG1 4.02Å; Y225-V236 HydrophobicContact CD1-CG2 3.64Å; Y225-V236 HydrophobicContact CE1-CG1 3.81Å; Y225-V236 HydrophobicContact CE1-CG2 3.82Å; Y225-V236 HydrophobicContact CE2-CG1 4.33Å; Y225-V236 HydrophobicContact CG-CG1 4.36Å; Y225-V236 HydrophobicContact CG-CG2 4.44Å; V236-L244 HydrophobicContact CG1-CD1 4.17Å; V236-L244 PolarHBondContact O-N 3.34Å; V236-Y245 HydrophobicContact CB-CE1 4.48Å; V236-Y245 HydrophobicContact CB-CE2 4.35Å; V236-Y245 HydrophobicContact CG1-CE1 4.5Å; V236-Y245 HydrophobicContact CG2-CD2 4.12Å; V236-Y245 HydrophobicContact CG2-CE2 3.82Å; V236-Y245 PolarHBondContact N-O 3.26Å; V236-I247 HydrophobicContact CG2-CD1 3.9Å; V236-I247 HydrophobicContact CG2-CG1 4.03Å |
| 237 | F | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 152.4 | -179.7 | -55.3 | -93.9 | 0 | 0 | 0 | 110.8 | F205 C207 Y210 M211 D223 F224 V226 A235 T242 F243 | F205-F237 HydrophobicContact CE2-CB 3.86Å; F205-F237 HydrophobicContact CE2-CD1 4.05Å; F205-F237 HydrophobicContact CE2-CD2 4.1Å; F205-F237 AromaticContact CE2-CG 3.74Å; F205-F237 HydrophobicContact CE2-CG 3.74Å; F205-F237 HydrophobicContact CZ-CB 3.86Å; F205-F237 HydrophobicContact CZ-CG 4.2Å; C207-F237 HydrophobicContact CB-CE1 4Å; C207-F237 HydrophobicContact CB-CE2 4.17Å; C207-F237 HydrophobicContact CB-CZ 3.64Å; Y210-F237 AromaticContact CD2-CE1 3.68Å; Y210-F237 HydrophobicContact CD2-CE1 3.68Å; Y210-F237 HydrophobicContact CD2-CZ 4.09Å; Y210-F237 HydrophobicContact CE2-CE1 4.25Å; Y210-F237 HydrophobicContact CG-CE1 4.03Å; Y210-F237 HydrophobicContact CG-CZ 4.07Å; M211-F237 HydrophobicContact CE-CE2 3.78Å; M211-F237 HydrophobicContact CE-CZ 4.16Å; D223-F237 CarbonylContact C-O 3.48Å; D223-F237 WeakPolarHBondContact CA-O 3.34Å; F224-F237 HydrophobicContact CB-CB 4.38Å; F224-F237 PolarHBondContact N-O 2.88Å; F224-F237 PolarHBondContact O-N 2.81Å; V226-F237 HydrophobicContact CB-CE2 4.48Å; V226-F237 HydrophobicContact CG2-CD2 4.31Å; V226-F237 HydrophobicContact CG2-CE2 4.36Å; A235-F237 HydrophobicContact CB-CD2 4.48Å; A235-F237 HydrophobicContact CB-CE2 3.52Å; A235-F237 HydrophobicContact CB-CZ 3.77Å; F237-T242 CarbonylContact C-O 3.52Å; F237-T242 VanDerWaalsContact CA-O 3.27Å; F237-T242 WeakPolarHBondContact CA-O 2.96Å; F237-F243 HydrophobicContact CD1-CB 4.01Å; F237-F243 HydrophobicContact CD1-CD2 4.33Å; F237-F243 HydrophobicContact CE1-CB 3.94Å; F237-F243 AromaticContact CE1-CD2 3.84Å; F237-F243 HydrophobicContact CE1-CD2 3.84Å; F237-F243 HydrophobicContact CE1-CG 4.38Å; F237-F243 HydrophobicContact CZ-CD2 4.14Å |
| 238 | Q | 96.7 | Very high | 97.1 | Very high | 73 Ų | 73 | 36.3 Ų | 36.3 | 34% | 0.341 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 169 | 162.2 | -73.5 | -179.6 | -23.4 | 0 | 0 | 111.2 | N222 D240 G241 T242 L244 | N222-Q238 CarbonylContact O-C 3.54Å; Q238-D240 WeakPolarHBondContact CB-OD1 3.12Å; Q238-D240 PolarHBondContact O-N 2.97Å; Q238-G241 PolarHBondContact O-N 2.82Å; Q238-T242 PolarHBondContact N-O 2.86Å; Q238-L244 HydrophobicContact CG-CD1 3.85Å; Q238-L244 HydrophobicContact CG-CD2 3.87Å; Q238-L244 HydrophobicContact CG-CG 4.05Å |
| 239 | D | 92.3 | Very high | 97.1 | Very high | 39 Ų | 39 | 39.5 Ų | 39.5 | 21% | 0.209 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -17.5 | 179.8 | 73.4 | -36.5 | 0 | 0 | 0 | 113.9 | R203 N222 F224 | R203-D239 WeakPolarHBondContact CD-O 3.22Å; R203-D239 IonicContact CZ-OD2 2.72Å; R203-D239 PolarHBondContact NE-O 3.45Å; R203-D239 IonicContact NH1-OD2 3.1Å; R203-D239 PolarHBondContact NH1-OD2 2.93Å; R203-D239 IonicContact NH2-OD2 3.58Å; R203-D239 PolarHBondContact NH2-OD2 3.27Å; N222-D239 HydrophobicContact CB-CB 4.33Å; N222-D239 PolarHBondContact O-N 2.86Å; F224-D239 HydrophobicContact CD2-CB 4.4Å; F224-D239 HydrophobicContact CE2-CB 3.62Å; F224-D239 HydrophobicContact CZ-CB 4.39Å |
| 240 | D | 93.8 | Very high | 97 | Very high | 91 Ų | 91 | 44.3 Ų | 44.3 | 49% | 0.487 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -2.7 | 172.1 | 69.8 | -1.6 | 0 | 0 | 0 | 114.1 | Q238 T242 | Q238-D240 WeakPolarHBondContact CB-OD1 3.12Å; Q238-D240 PolarHBondContact O-N 2.97Å; D240-T242 VanDerWaalsContact CG-OG1 3.32Å; D240-T242 WeakPolarHBondContact OD1-CB 3.14Å; D240-T242 PolarHBondContact OD1-N 3.32Å; D240-T242 PolarHBondContact OD1-OG1 3.43Å; D240-T242 PolarHBondContact OD2-OG1 2.85Å |
| 241 | G | 96.4 | Very high | 96.8 | Very high | 17 Ų | 17 | 47.2 Ų | 47.2 | 18% | 0.175 | 24% | 0.238 | C | C | . | . | trans | 91.4 | 0.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q238 F243 | Q238-G241 PolarHBondContact O-N 2.82Å; G241-F243 PolarHBondContact O-N 2.93Å; G241-F243 VanDerWaalsContact O-N 3.15Å | ||
| 242 | T | 97.9 | Very high | 96.7 | Very high | 65 Ų | 65 | 47.4 Ų | 47.4 | 40% | 0.399 | 24% | 0.236 | S | C | . | . | trans | -61.5 | 117.8 | 174.7 | -60.1 | 0 | 0 | 0 | 0 | 110.1 | F237 Q238 D240 | F237-T242 CarbonylContact C-O 3.52Å; F237-T242 VanDerWaalsContact CA-O 3.27Å; F237-T242 WeakPolarHBondContact CA-O 2.96Å; Q238-T242 PolarHBondContact N-O 2.86Å; D240-T242 VanDerWaalsContact CG-OG1 3.32Å; D240-T242 WeakPolarHBondContact OD1-CB 3.14Å; D240-T242 PolarHBondContact OD1-N 3.32Å; D240-T242 PolarHBondContact OD1-OG1 3.43Å; D240-T242 PolarHBondContact OD2-OG1 2.85Å | ||
| 243 | F | 98.3 | Very high | 96.6 | Very high | 61 Ų | 61 | 46 Ų | 46 | 27% | 0.268 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 131.4 | 172.9 | 171.9 | -98.2 | 0 | 0 | 0 | 110.6 | Y210 A235 F237 G241 Y245 R246 | Y210-F243 HydrophobicContact CD1-CB 4.3Å; Y210-F243 HydrophobicContact CD1-CD1 4.17Å; Y210-F243 AromaticContact CD1-CD2 3.53Å; Y210-F243 HydrophobicContact CD1-CD2 3.53Å; Y210-F243 HydrophobicContact CD1-CE1 4.43Å; Y210-F243 AromaticContact CD1-CE2 3.82Å; Y210-F243 HydrophobicContact CD1-CE2 3.82Å; Y210-F243 AromaticContact CD1-CG 3.72Å; Y210-F243 HydrophobicContact CD1-CG 3.72Å; Y210-F243 HydrophobicContact CD1-CZ 4.26Å; Y210-F243 HydrophobicContact CD2-CB 4.43Å; Y210-F243 HydrophobicContact CE1-CB 3.75Å; Y210-F243 AromaticContact CE1-CD1 3.6Å; Y210-F243 HydrophobicContact CE1-CD1 3.6Å; Y210-F243 AromaticContact CE1-CD2 3.74Å; Y210-F243 HydrophobicContact CE1-CD2 3.74Å; Y210-F243 HydrophobicContact CE1-CE1 4.11Å; Y210-F243 HydrophobicContact CE1-CE2 4.24Å; Y210-F243 AromaticContact CE1-CG 3.38Å; Y210-F243 HydrophobicContact CE1-CG 3.38Å; Y210-F243 HydrophobicContact CE1-CZ 4.4Å; Y210-F243 HydrophobicContact CE2-CB 3.89Å; Y210-F243 HydrophobicContact CE2-CG 4.36Å; Y210-F243 AromaticContact CG-CD2 3.96Å; Y210-F243 HydrophobicContact CG-CD2 3.96Å; Y210-F243 HydrophobicContact CG-CE2 4.47Å; Y210-F243 HydrophobicContact CG-CG 4.34Å; Y210-F243 AromaticContact CZ-CG 3.74Å; A235-F243 HydrophobicContact CB-CE2 4.14Å; F237-F243 HydrophobicContact CD1-CB 4.01Å; F237-F243 HydrophobicContact CD1-CD2 4.33Å; F237-F243 HydrophobicContact CE1-CB 3.94Å; F237-F243 AromaticContact CE1-CD2 3.84Å; F237-F243 HydrophobicContact CE1-CD2 3.84Å; F237-F243 HydrophobicContact CE1-CG 4.38Å; F237-F243 HydrophobicContact CZ-CD2 4.14Å; G241-F243 PolarHBondContact O-N 2.93Å; G241-F243 VanDerWaalsContact O-N 3.15Å; F243-Y245 WeakPolarHBondContact CE2-O 3.34Å; F243-R246 HydrophobicContact CE2-CG 4.08Å; F243-R246 HydrophobicContact CZ-CG 3.98Å |
| 244 | L | 97.3 | Very high | 96.5 | Very high | 59 Ų | 59 | 46.7 Ų | 46.7 | 31% | 0.309 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | -64.3 | -179.9 | -59.5 | 178.1 | 0 | 0 | 0 | 111.6 | V236 Q238 | V236-L244 HydrophobicContact CG1-CD1 4.17Å; V236-L244 PolarHBondContact O-N 3.34Å; Q238-L244 HydrophobicContact CG-CD1 3.85Å; Q238-L244 HydrophobicContact CG-CD2 3.87Å; Q238-L244 HydrophobicContact CG-CG 4.05Å |
| 245 | Y | 97.4 | Very high | 96.3 | Very high | 66 Ų | 66 | 50 Ų | 50 | 26% | 0.259 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.3 | 177 | -176.5 | 52.9 | -85.5 | 0 | 0 | 0 | 111.2 | V236 F243 I247 R284 | V236-Y245 HydrophobicContact CB-CE1 4.48Å; V236-Y245 HydrophobicContact CB-CE2 4.35Å; V236-Y245 HydrophobicContact CG1-CE1 4.5Å; V236-Y245 HydrophobicContact CG2-CD2 4.12Å; V236-Y245 HydrophobicContact CG2-CE2 3.82Å; V236-Y245 PolarHBondContact N-O 3.26Å; F243-Y245 WeakPolarHBondContact CE2-O 3.34Å; Y245-I247 HydrophobicContact CD2-CG1 3.96Å; Y245-I247 HydrophobicContact CE2-CD1 3.9Å; Y245-I247 HydrophobicContact CE2-CG1 3.73Å; Y245-R284 PolarHBondContact OH-O 3.22Å |
| 246 | R | 97.8 | Very high | 96.2 | Very high | 99 Ų | 99 | 50 Ų | 50 | 37% | 0.374 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 147.5 | 172 | -70.1 | 178.8 | -172.1 | -82.6 | -1 | 111.2 | Y210 C233 V234 F243 | Y210-R246 VanDerWaalsContact CA-NH2 3.27Å; Y210-R246 VanDerWaalsContact O-CZ 3.31Å; Y210-R246 PolarHBondContact O-NH1 3.34Å; Y210-R246 PolarHBondContact O-NH2 3.04Å; C233-R246 PolarHBondContact SG-NH1 3.4Å; C233-R246 VanDerWaalsContact SG-NH1 3.35Å; V234-R246 CarbonylContact O-C 3.56Å; V234-R246 VanDerWaalsContact O-CA 3.25Å; V234-R246 WeakPolarHBondContact O-CA 3.22Å; F243-R246 HydrophobicContact CE2-CG 4.08Å; F243-R246 HydrophobicContact CZ-CG 3.98Å |
| 247 | I | 97.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 135.6 | 172.2 | -53.3 | 178.7 | 0 | 0 | 0 | 108.2 | Y225 C233 V234 V236 Y245 V267 I269 Y282 | Y225-I247 HydrophobicContact CD1-CD1 4.12Å; Y225-I247 HydrophobicContact CE1-CD1 4Å; C233-I247 CarbonylContact C-O 3.53Å; C233-I247 WeakPolarHBondContact CA-O 3.36Å; C233-I247 VanDerWaalsContact CB-O 3.31Å; C233-I247 WeakPolarHBondContact CB-O 3.43Å; V234-I247 HydrophobicContact CB-CB 4.38Å; V234-I247 PolarHBondContact N-O 3.45Å; V234-I247 PolarHBondContact O-N 3.4Å; V236-I247 HydrophobicContact CG2-CD1 3.9Å; V236-I247 HydrophobicContact CG2-CG1 4.03Å; Y245-I247 HydrophobicContact CD2-CG1 3.96Å; Y245-I247 HydrophobicContact CE2-CD1 3.9Å; Y245-I247 HydrophobicContact CE2-CG1 3.73Å; I247-V267 HydrophobicContact CD1-CB 4.27Å; I247-V267 HydrophobicContact CD1-CG1 4.2Å; I247-V267 HydrophobicContact CD1-CG2 4.02Å; I247-I269 HydrophobicContact CB-CD1 4.27Å; I247-I269 HydrophobicContact CG2-CD1 3.77Å; I247-Y282 HydrophobicContact CG2-CD1 3.42Å; I247-Y282 VanDerWaalsContact CG2-CD1 3.42Å; I247-Y282 HydrophobicContact CG2-CD2 3.57Å; I247-Y282 HydrophobicContact CG2-CE1 3.93Å; I247-Y282 HydrophobicContact CG2-CE2 4.06Å; I247-Y282 HydrophobicContact CG2-CG 3.23Å |
| 248 | G | 96.8 | Very high | 95.8 | Very high | 19 Ų | 19 | 51.2 Ų | 51.2 | 20% | 0.196 | 26% | 0.255 | C | S | . | . | trans | 81.1 | 175.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | T253 Y282 | G248-T253 VanDerWaalsContact CA-OG1 3.29Å; G248-T253 WeakPolarHBondContact CA-OG1 3.48Å; G248-Y282 WeakPolarHBondContact CA-OH 3.45Å | ||
| 249 | N | 96.2 | Very high | 95.8 | Very high | 70 Ų | 70 | 47.8 Ų | 47.8 | 37% | 0.374 | 24% | 0.239 | S | C | . | . | trans | -167.4 | 173.6 | -177.6 | 58 | 70.4 | 0 | 0 | 0 | 111.1 | H232 K251 V252 T253 | H232-N249 CarbonylContact O-C 3.58Å; H232-N249 VanDerWaalsContact O-CA 3.26Å; H232-N249 WeakPolarHBondContact O-CA 3.28Å; H232-N249 PolarHBondContact O-N 3.28Å; N249-K251 PolarHBondContact O-N 2.88Å; N249-K251 WeakPolarHBondContact OD1-CA 3.37Å; N249-K251 VanDerWaalsContact OD1-CB 3.28Å; N249-K251 WeakPolarHBondContact OD1-CB 3.42Å; N249-K251 PolarHBondContact OD1-N 3.35Å; N249-V252 PolarHBondContact O-N 2.95Å; N249-V252 VanDerWaalsContact O-N 3.09Å; N249-V252 PolarHBondContact OD1-N 3.5Å; N249-T253 PolarHBondContact N-OG1 3.08Å; N249-T253 PolarHBondContact O-N 2.65Å; N249-T253 PolarHBondContact O-OG1 3.1Å | ||
| 250 | E | 95.5 | Very high | 96 | Very high | 131 Ų | 131 | 47.3 Ų | 47.3 | 61% | 0.612 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -9.8 | 179.1 | 67.1 | 178.5 | -169.2 | 0 | 0 | 116.4 | H232 C254 | H232-E250 HydrophobicContact CB-CB 4.14Å; E250-C254 PolarHBondContact O-SG 3.05Å |
| 251 | K | 93.1 | Very high | 96.2 | Very high | 147 Ų | 147 | 44 Ų | 44 | 64% | 0.639 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98 | -20 | 178.5 | -58.1 | 179.5 | -179.4 | 172.6 | 0 | 113.2 | N249 | N249-K251 PolarHBondContact O-N 2.88Å; N249-K251 WeakPolarHBondContact OD1-CA 3.37Å; N249-K251 VanDerWaalsContact OD1-CB 3.28Å; N249-K251 WeakPolarHBondContact OD1-CB 3.42Å; N249-K251 PolarHBondContact OD1-N 3.35Å |
| 252 | V | 95.1 | Very high | 96.1 | Very high | 21 Ų | 21 | 44.2 Ų | 44.2 | 13% | 0.127 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | -54.8 | -172 | -176.2 | 0 | 0 | 0 | 0 | 111.2 | N249 C254 H278 A280 Y282 L288 E291 | N249-V252 PolarHBondContact O-N 2.95Å; N249-V252 VanDerWaalsContact O-N 3.09Å; N249-V252 PolarHBondContact OD1-N 3.5Å; V252-C254 PolarHBondContact O-N 3.33Å; V252-H278 PolarHBondContact O-CE1 3.45Å; V252-H278 PolarHBondContact O-ND1 2.73Å; V252-A280 HydrophobicContact CG1-CB 3.74Å; V252-Y282 WeakPolarHBondContact CG1-OH 3.3Å; V252-L288 HydrophobicContact CG1-CD1 4.22Å; V252-L288 HydrophobicContact CG1-CD2 4.29Å; V252-L288 HydrophobicContact CG2-CD2 4.36Å; V252-E291 HydrophobicContact CG1-CG 4.3Å |
| 253 | T | 95.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -105.1 | 61 | -175 | 46 | 0 | 0 | 0 | 0 | 109.9 | H232 G248 N249 F255 P256 I269 A280 Y282 | H232-T253 CarbonylContact C-O 3.55Å; H232-T253 VanDerWaalsContact C-O 3.29Å; H232-T253 WeakPolarHBondContact CA-O 3.4Å; H232-T253 WeakPolarHBondContact CB-O 3.22Å; H232-T253 VanDerWaalsContact O-O 3.06Å; H232-T253 PolarHBondContact O-OG1 3.46Å; G248-T253 VanDerWaalsContact CA-OG1 3.29Å; G248-T253 WeakPolarHBondContact CA-OG1 3.48Å; N249-T253 PolarHBondContact N-OG1 3.08Å; N249-T253 PolarHBondContact O-N 2.65Å; N249-T253 PolarHBondContact O-OG1 3.1Å; T253-F255 PolarHBondContact O-N 3.35Å; T253-F255 VanDerWaalsContact O-N 3.14Å; T253-P256 WeakPolarHBondContact O-CD 3.45Å; T253-I269 HydrophobicContact CG2-CB 3.85Å; T253-I269 HydrophobicContact CG2-CD1 4.04Å; T253-I269 HydrophobicContact CG2-CG2 3.65Å; T253-A280 HydrophobicContact CG2-CB 3.94Å; T253-Y282 HydrophobicContact CG2-CE2 3.85Å |
| 254 | C | 94.6 | Very high | 95.4 | Very high | 21 Ų | 21 | 50.3 Ų | 50.3 | 14% | 0.142 | 26% | 0.262 | C | S | . | . | trans | -71.2 | 110.7 | -173.8 | -57.1 | 0 | 0 | 0 | 0 | 110.3 | E250 V252 D271 H273 | E250-C254 PolarHBondContact O-SG 3.05Å; V252-C254 PolarHBondContact O-N 3.33Å; C254-D271 VanDerWaalsContact O-CB 3.23Å; C254-D271 WeakPolarHBondContact O-CB 3.21Å; C254-H273 HydrophobicContact CB-CB 3.63Å; C254-H273 WeakPolarHBondContact O-CB 3.49Å | ||
| 255 | F | 95.3 | Very high | 95.2 | Very high | 69 Ų | 69 | 47.6 Ų | 47.6 | 30% | 0.303 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 62.5 | 59.5 | 175.5 | -58.6 | -82.1 | 0 | 0 | 0 | 112.9 | F229 H232 T253 H273 | F229-F255 HydrophobicContact CD1-CD1 4.09Å; F229-F255 HydrophobicContact CD2-CB 3.82Å; F229-F255 HydrophobicContact CD2-CD1 4.45Å; F229-F255 AromaticContact CE1-CD1 3.69Å; F229-F255 HydrophobicContact CE1-CD1 3.69Å; F229-F255 HydrophobicContact CE1-CE1 4.35Å; F229-F255 HydrophobicContact CE2-CB 3.46Å; F229-F255 VanDerWaalsContact CE2-CB 3.46Å; F229-F255 HydrophobicContact CE2-CD1 4.13Å; F229-F255 HydrophobicContact CE2-CG 4.23Å; F229-F255 HydrophobicContact CG-CD1 4.44Å; F229-F255 HydrophobicContact CZ-CB 3.86Å; F229-F255 AromaticContact CZ-CD1 3.71Å; F229-F255 HydrophobicContact CZ-CD1 3.71Å; F229-F255 HydrophobicContact CZ-CG 4.14Å; F229-F255 WeakPolarHBondContact O-CA 3.32Å; H232-F255 AromaticContact CE1-CD1 3.65Å; H232-F255 AromaticContact CE1-CD2 3.75Å; H232-F255 AromaticContact CE1-CE1 3.45Å; H232-F255 VanDerWaalsContact CE1-CE1 3.45Å; H232-F255 WeakPolarHBondContact CE1-CE1 3.41Å; H232-F255 AromaticContact CE1-CE2 3.55Å; H232-F255 AromaticContact CE1-CG 3.82Å; H232-F255 AromaticContact CE1-CZ 3.43Å; H232-F255 VanDerWaalsContact CE1-CZ 3.43Å; H232-F255 WeakPolarHBondContact CE1-CZ 3.33Å; H232-F255 AromaticContact ND1-CD1 3.89Å; H232-F255 AromaticContact ND1-CD2 3.83Å; H232-F255 AromaticContact ND1-CG 3.75Å; H232-F255 PolarHBondContact ND1-N 2.76Å; T253-F255 PolarHBondContact O-N 3.35Å; T253-F255 VanDerWaalsContact O-N 3.14Å; F255-H273 HydrophobicContact CD2-CB 4.41Å; F255-H273 AromaticContact CD2-ND1 3.49Å; F255-H273 WeakPolarHBondContact CD2-ND1 3.35Å; F255-H273 AromaticContact CE2-CE1 3.85Å; F255-H273 AromaticContact CE2-ND1 3.67Å |
| 256 | P | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 135.7 | -173.9 | 31 | -35.4 | 0 | 0 | 0 | 110.8 | S215 C227 D228 T253 I269 G270 | S215-P256 PolarHBondContact OG-O 2.8Å; C227-P256 HydrophobicContact CB-CG 4.48Å; D228-P256 WeakPolarHBondContact O-CG 3.42Å; T253-P256 WeakPolarHBondContact O-CD 3.45Å; P256-I269 HydrophobicContact CB-CG2 3.56Å; P256-G270 WeakPolarHBondContact CA-O 3.42Å |
| 257 | N | 92.8 | Very high | 95.1 | Very high | 27 Ų | 27 | 42.4 Ų | 42.4 | 14% | 0.144 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 0.6 | -178.9 | -76.9 | -44.1 | 0 | 0 | 0 | 113.1 | F229 G270 C302 G304 | F229-N257 WeakPolarHBondContact CD2-OD1 3.31Å; F229-N257 WeakPolarHBondContact CE2-ND2 3.21Å; F229-N257 VanDerWaalsContact CE2-OD1 3.32Å; F229-N257 WeakPolarHBondContact CE2-OD1 3.39Å; N257-G270 PolarHBondContact N-O 3.41Å; N257-C302 WeakPolarHBondContact CB-O 3.49Å; N257-G304 WeakPolarHBondContact O-CA 3.39Å; N257-G304 PolarHBondContact O-N 2.88Å |
| 258 | G | 94.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 143.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | G270 | G258-G270 PolarHBondContact N-O 2.89Å; G258-G270 PolarHBondContact O-N 2.99Å |
| 259 | I | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 144.2 | 174.1 | -175.1 | 172.1 | 0 | 0 | 0 | 110.1 | D216 A218 C227 V234 V267 L268 K306 | D216-I259 HydrophobicContact CB-CG2 4.14Å; D216-I259 PolarHBondContact OD2-N 2.63Å; A218-I259 HydrophobicContact CB-CB 4.41Å; A218-I259 HydrophobicContact CB-CD1 4.18Å; A218-I259 HydrophobicContact CB-CG1 3.93Å; A218-I259 HydrophobicContact CB-CG2 3.85Å; C227-I259 WeakPolarHBondContact SG-CB 3.28Å; C227-I259 VanDerWaalsContact SG-CG2 3.53Å; V234-I259 HydrophobicContact CB-CD1 4.49Å; V234-I259 HydrophobicContact CG1-CD1 3.79Å; V234-I259 HydrophobicContact CG2-CD1 3.88Å; I259-V267 HydrophobicContact CD1-CG1 3.94Å; I259-V267 HydrophobicContact CG1-CG1 4.25Å; I259-L268 WeakPolarHBondContact CA-O 3.39Å; I259-K306 PolarHBondContact O-NZ 2.97Å |
| 260 | D | 97.3 | Very high | 95.1 | Very high | 30 Ų | 30 | 39.5 Ų | 39.5 | 16% | 0.16 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 163.2 | 163.7 | -149.4 | 19.2 | 0 | 0 | 0 | 111 | L268 K306 I307 | D260-L268 PolarHBondContact N-O 3.07Å; D260-L268 PolarHBondContact O-N 2.92Å; D260-K306 HydrophobicContact CB-CD 4.43Å; D260-K306 IonicContact OD1-NZ 3.5Å; D260-K306 VanDerWaalsContact OD2-CA 3.26Å; D260-K306 WeakPolarHBondContact OD2-CA 3.38Å; D260-I307 HydrophobicContact CB-CD1 3.87Å; D260-I307 HydrophobicContact CB-CG1 3.97Å; D260-I307 PolarHBondContact OD2-N 3.22Å |
| 261 | I | 96.3 | Very high | 95.1 | Very high | 21 Ų | 21 | 33.4 Ų | 33.4 | 11% | 0.108 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 126.2 | -176.1 | -55.2 | 168.9 | 0 | 0 | 0 | 109.3 | A218 R220 Y225 D266 | A218-I261 HydrophobicContact CB-CD1 3.73Å; A218-I261 HydrophobicContact CB-CG1 3.81Å; R220-I261 HydrophobicContact CB-CD1 3.85Å; R220-I261 HydrophobicContact CB-CG2 4.29Å; Y225-I261 HydrophobicContact CD1-CD1 4.44Å; Y225-I261 HydrophobicContact CD2-CD1 3.33Å; Y225-I261 HydrophobicContact CE2-CD1 3.56Å; Y225-I261 HydrophobicContact CG-CD1 3.83Å; I261-D266 CarbonylContact C-O 3.53Å; I261-D266 WeakPolarHBondContact CA-O 3.38Å |
| 262 | S | 94.4 | Very high | 95 | Very high | 21 Ų | 21 | 26.8 Ų | 26.8 | 15% | 0.147 | 16% | 0.157 | C | C | . | . | trans | -69.1 | 161.6 | 179 | 84.5 | 0 | 0 | 0 | 0 | 111.5 | A264 G265 D266 | S262-A264 PolarHBondContact O-N 2.84Å; S262-A264 PolarHBondContact OG-N 2.86Å; S262-G265 WeakPolarHBondContact O-CA 3.47Å; S262-G265 PolarHBondContact O-N 2.8Å; S262-G265 PolarHBondContact OG-N 2.74Å; S262-D266 PolarHBondContact N-O 2.89Å; S262-D266 WeakPolarHBondContact OG-CB 2.86Å; S262-D266 PolarHBondContact OG-N 3.43Å; S262-D266 PolarHBondContact OG-OD2 2.85Å | ||
| 263 | N | 90.2 | Very high | 94.7 | Very high | 167 Ų | 167 | 30.5 Ų | 30.5 | 89% | 0.893 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -27 | 172.6 | -70.6 | -27.6 | 0 | 0 | 0 | 113.1 | ||
| 264 | A | 91.9 | Very high | 94.3 | Very high | 87 Ų | 87 | 33.4 Ų | 33.4 | 72% | 0.719 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -11.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S262 | S262-A264 PolarHBondContact O-N 2.84Å; S262-A264 PolarHBondContact OG-N 2.86Å |
| 265 | G | 93.2 | Very high | 93.9 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | trans | 95 | 14 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | R220 S262 | R220-G265 PolarHBondContact NH2-O 2.85Å; S262-G265 WeakPolarHBondContact O-CA 3.47Å; S262-G265 PolarHBondContact O-N 2.8Å; S262-G265 PolarHBondContact OG-N 2.74Å | ||
| 266 | D | 95.6 | Very high | 93.5 | Very high | 56 Ų | 56 | 36.6 Ų | 36.6 | 30% | 0.299 | 22% | 0.215 | S | C | . | . | trans | -72.5 | 135.1 | 173 | -49.7 | -62.3 | 0 | 0 | 0 | 109.7 | I261 S262 L268 Y282 | I261-D266 CarbonylContact C-O 3.53Å; I261-D266 WeakPolarHBondContact CA-O 3.38Å; S262-D266 PolarHBondContact N-O 2.89Å; S262-D266 WeakPolarHBondContact OG-CB 2.86Å; S262-D266 PolarHBondContact OG-N 3.43Å; S262-D266 PolarHBondContact OG-OD2 2.85Å; D266-L268 HydrophobicContact CB-CD1 3.99Å; D266-L268 WeakPolarHBondContact O-CD1 3.26Å; D266-Y282 CarbonylContact C-O 3.57Å; D266-Y282 WeakPolarHBondContact CA-O 3.12Å | ||
| 267 | V | 97.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 112 | 179.2 | -174.7 | 0 | 0 | 0 | 0 | 108.3 | Y225 I247 I259 I269 Y282 | Y225-V267 HydrophobicContact CD1-CG1 4.19Å; Y225-V267 HydrophobicContact CD1-CG2 4.04Å; Y225-V267 HydrophobicContact CE1-CG2 3.64Å; I247-V267 HydrophobicContact CD1-CB 4.27Å; I247-V267 HydrophobicContact CD1-CG1 4.2Å; I247-V267 HydrophobicContact CD1-CG2 4.02Å; I259-V267 HydrophobicContact CD1-CG1 3.94Å; I259-V267 HydrophobicContact CG1-CG1 4.25Å; V267-I269 HydrophobicContact CG1-CD1 4.4Å; V267-I269 HydrophobicContact CG1-CG1 4.1Å; V267-Y282 PolarHBondContact N-O 2.95Å; V267-Y282 PolarHBondContact O-N 3.46Å |
| 268 | L | 97.8 | Very high | 93.4 | Very high | 29 Ų | 29 | 37.6 Ų | 37.6 | 15% | 0.152 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 123.7 | 178 | -68.6 | 75 | 0 | 0 | 0 | 109.2 | I259 D260 D266 V279 A280 L305 I307 | I259-L268 WeakPolarHBondContact CA-O 3.39Å; D260-L268 PolarHBondContact N-O 3.07Å; D260-L268 PolarHBondContact O-N 2.92Å; D266-L268 HydrophobicContact CB-CD1 3.99Å; D266-L268 WeakPolarHBondContact O-CD1 3.26Å; L268-V279 HydrophobicContact CB-CG1 4.02Å; L268-V279 HydrophobicContact CD2-CG1 4.11Å; L268-V279 HydrophobicContact CG-CG1 4.38Å; L268-A280 WeakPolarHBondContact CA-O 3.32Å; L268-L305 HydrophobicContact CB-CD2 3.82Å; L268-I307 HydrophobicContact CB-CD1 4.05Å; L268-I307 HydrophobicContact CD1-CD1 3.4Å; L268-I307 VanDerWaalsContact CD1-CD1 3.4Å; L268-I307 HydrophobicContact CD2-CD1 3.52Å; L268-I307 HydrophobicContact CD2-CG1 4Å; L268-I307 HydrophobicContact CG-CD1 3.81Å |
| 269 | I | 97.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 117.6 | -177.6 | -55.2 | 172.1 | 0 | 0 | 0 | 108 | V234 I247 T253 P256 V267 V279 A280 Y282 | V234-I269 HydrophobicContact CB-CD1 4.13Å; V234-I269 HydrophobicContact CG2-CD1 3.48Å; V234-I269 VanDerWaalsContact CG2-CD1 3.48Å; V234-I269 HydrophobicContact CG2-CG1 3.85Å; V234-I269 HydrophobicContact CG2-CG2 4.25Å; I247-I269 HydrophobicContact CB-CD1 4.27Å; I247-I269 HydrophobicContact CG2-CD1 3.77Å; T253-I269 HydrophobicContact CG2-CB 3.85Å; T253-I269 HydrophobicContact CG2-CD1 4.04Å; T253-I269 HydrophobicContact CG2-CG2 3.65Å; P256-I269 HydrophobicContact CB-CG2 3.56Å; V267-I269 HydrophobicContact CG1-CD1 4.4Å; V267-I269 HydrophobicContact CG1-CG1 4.1Å; I269-V279 WeakPolarHBondContact O-CA 3.44Å; I269-A280 PolarHBondContact N-O 3.46Å; I269-A280 PolarHBondContact O-N 2.82Å; I269-Y282 HydrophobicContact CD1-CD2 3.9Å; I269-Y282 HydrophobicContact CD1-CE2 3.94Å; I269-Y282 HydrophobicContact CG1-CD2 4.48Å |
| 270 | G | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 134.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P256 N257 G258 H278 | P256-G270 WeakPolarHBondContact CA-O 3.42Å; N257-G270 PolarHBondContact N-O 3.41Å; G258-G270 PolarHBondContact N-O 2.89Å; G258-G270 PolarHBondContact O-N 2.99Å; G270-H278 WeakPolarHBondContact CA-O 3.42Å |
| 271 | D | 94.1 | Very high | 93.4 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 168.6 | 169.4 | 77.7 | 78.4 | 0 | 0 | 0 | 111.9 | C254 H273 H278 | C254-D271 VanDerWaalsContact O-CB 3.23Å; C254-D271 WeakPolarHBondContact O-CB 3.21Å; D271-H273 PolarHBondContact OD1-N 2.68Å; D271-H278 PolarHBondContact N-O 3.39Å; D271-H278 PolarHBondContact O-N 3.27Å; D271-H278 IonicContact OD2-CE1 3.41Å; D271-H278 IonicContact OD2-CG 2.6Å; D271-H278 IonicContact OD2-ND1 2.67Å; D271-H278 PolarHBondContact OD2-ND1 2.75Å |
| 272 | S | 91.3 | Very high | 93.5 | Very high | 8 Ų | 8 | 36.4 Ų | 36.4 | 6% | 0.056 | 21% | 0.213 | C | C | . | . | trans | -128.2 | 22.4 | 177.2 | 57.8 | 0 | 0 | 0 | 0 | 113.2 | N275 R276 R301 C302 | S272-N275 PolarHBondContact O-N 2.99Å; S272-R276 CarbonylContact C-O 3.59Å; S272-R276 WeakPolarHBondContact CA-O 3.26Å; S272-R301 VanDerWaalsContact OG-CA 3.23Å; S272-R301 WeakPolarHBondContact OG-CA 3.49Å; S272-C302 PolarHBondContact OG-N 3.42Å | ||
| 273 | H | 89.8 | Confident | 93.6 | Very high | 99 Ų | 99 | 36.1 Ų | 36.1 | 46% | 0.458 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -68.3 | 144.5 | -178.2 | -174.1 | 74.1 | 0 | 0 | 0 | 110.6 | C254 F255 D271 N275 | C254-H273 HydrophobicContact CB-CB 3.63Å; C254-H273 WeakPolarHBondContact O-CB 3.49Å; F255-H273 HydrophobicContact CD2-CB 4.41Å; F255-H273 AromaticContact CD2-ND1 3.49Å; F255-H273 WeakPolarHBondContact CD2-ND1 3.35Å; F255-H273 AromaticContact CE2-CE1 3.85Å; F255-H273 AromaticContact CE2-ND1 3.67Å; D271-H273 PolarHBondContact OD1-N 2.68Å; H273-N275 VanDerWaalsContact C-N 3.3Å; H273-N275 PolarHBondContact O-N 2.8Å |
| 274 | G | 86.9 | Confident | 93.6 | Very high | 62 Ų | 62 | 32.4 Ų | 32.4 | 64% | 0.639 | 19% | 0.185 | S | C | * | . | G | 310 helix | trans | 72.3 | 20.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R276 | G274-R276 VanDerWaalsContact C-N 3.3Å; G274-R276 PolarHBondContact O-N 2.79Å |
| 275 | N | 85.6 | Confident | 93.6 | Very high | 78 Ų | 78 | 35 Ų | 35 | 42% | 0.417 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | 61.1 | 35.6 | 175 | -163.8 | 30.6 | 0 | 0 | 0 | 113.7 | S272 H273 K298 V299 | S272-N275 PolarHBondContact O-N 2.99Å; H273-N275 VanDerWaalsContact C-N 3.3Å; H273-N275 PolarHBondContact O-N 2.8Å; N275-K298 WeakPolarHBondContact ND2-CG 3.23Å; N275-K298 WeakPolarHBondContact OD1-CA 3.37Å; N275-K298 VanDerWaalsContact OD1-CB 3.31Å; N275-K298 WeakPolarHBondContact OD1-CB 3.31Å; N275-V299 PolarHBondContact OD1-N 2.83Å |
| 276 | R | 87.1 | Confident | 93.7 | Very high | 78 Ų | 78 | 36 Ų | 36 | 29% | 0.294 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -131.8 | 152.3 | 172.2 | 65.7 | 178.3 | -162.9 | 171.7 | 7 | 108.1 | S272 G274 H278 E293 | S272-R276 CarbonylContact C-O 3.59Å; S272-R276 WeakPolarHBondContact CA-O 3.26Å; G274-R276 VanDerWaalsContact C-N 3.3Å; G274-R276 PolarHBondContact O-N 2.79Å; R276-H278 PolarHBondContact NH2-CD2 3.09Å; R276-H278 VanDerWaalsContact NH2-CD2 3.33Å; R276-E293 IonicContact CZ-OE2 2.95Å; R276-E293 IonicContact NE-OE2 2.98Å; R276-E293 IonicContact NH1-OE2 3.13Å; R276-E293 PolarHBondContact NH1-OE2 3.46Å |
| 277 | F | 91.6 | Very high | 93.7 | Very high | 48 Ų | 48 | 35.6 Ų | 35.6 | 21% | 0.211 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 122.6 | 166 | -175.5 | -123.5 | 0 | 0 | 0 | 109.1 | M60 V279 E293 C294 V297 V299 C302 L305 | M60-F277 HydrophobicContact CE-CD1 3.69Å; M60-F277 HydrophobicContact CE-CE1 4.05Å; F277-V279 HydrophobicContact CD1-CG2 4.46Å; F277-V279 HydrophobicContact CE1-CG2 3.79Å; F277-V279 HydrophobicContact CZ-CG2 3.85Å; F277-E293 CarbonylContact O-C 3.59Å; F277-E293 WeakPolarHBondContact O-CA 3.35Å; F277-C294 HydrophobicContact CB-CB 4.28Å; F277-C294 PolarHBondContact O-N 3.34Å; F277-V297 HydrophobicContact CB-CB 4.46Å; F277-V299 HydrophobicContact CB-CG2 4.07Å; F277-C302 HydrophobicContact CD2-CB 4.21Å; F277-C302 HydrophobicContact CE2-CB 4.03Å; F277-L305 HydrophobicContact CZ-CD1 3.99Å |
| 278 | H | 94.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 139.6 | -176.2 | 174.8 | -112.2 | 0 | 0 | 0 | 110.1 | V252 G270 D271 R276 E291 F292 | V252-H278 PolarHBondContact O-CE1 3.45Å; V252-H278 PolarHBondContact O-ND1 2.73Å; G270-H278 WeakPolarHBondContact CA-O 3.42Å; D271-H278 PolarHBondContact N-O 3.39Å; D271-H278 PolarHBondContact O-N 3.27Å; D271-H278 IonicContact OD2-CE1 3.41Å; D271-H278 IonicContact OD2-CG 2.6Å; D271-H278 IonicContact OD2-ND1 2.67Å; D271-H278 PolarHBondContact OD2-ND1 2.75Å; R276-H278 PolarHBondContact NH2-CD2 3.09Å; R276-H278 VanDerWaalsContact NH2-CD2 3.33Å; H278-E291 IonicContact CE1-OE2 2.84Å; H278-E291 IonicContact NE2-OE2 2.86Å; H278-E291 PolarHBondContact NE2-OE2 3.44Å; H278-F292 WeakPolarHBondContact CA-O 3.49Å; H278-F292 PolarHBondContact CD2-O 3.37Å |
| 279 | V | 95.8 | Very high | 93.6 | Very high | 6 Ų | 6 | 43 Ų | 43 | 4% | 0.036 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 119.3 | 175.8 | -179.6 | 0 | 0 | 0 | 0 | 108.7 | M60 L268 I269 F277 F292 L305 | M60-V279 HydrophobicContact CE-CB 4.46Å; M60-V279 HydrophobicContact CE-CG2 4Å; M60-V279 HydrophobicContact SD-CG2 4.49Å; L268-V279 HydrophobicContact CB-CG1 4.02Å; L268-V279 HydrophobicContact CD2-CG1 4.11Å; L268-V279 HydrophobicContact CG-CG1 4.38Å; I269-V279 WeakPolarHBondContact O-CA 3.44Å; F277-V279 HydrophobicContact CD1-CG2 4.46Å; F277-V279 HydrophobicContact CE1-CG2 3.79Å; F277-V279 HydrophobicContact CZ-CG2 3.85Å; V279-F292 HydrophobicContact CB-CB 4.4Å; V279-F292 PolarHBondContact N-O 3.46Å; V279-F292 PolarHBondContact O-N 3.43Å; V279-L305 HydrophobicContact CG1-CD2 3.98Å; V279-L305 HydrophobicContact CG2-CD1 4.18Å; V279-L305 HydrophobicContact CG2-CD2 4.31Å |
| 280 | A | 97.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 131.3 | 172 | 0 | 0 | 0 | 0 | 0 | 109.8 | V252 T253 L268 I269 Y282 L288 | V252-A280 HydrophobicContact CG1-CB 3.74Å; T253-A280 HydrophobicContact CG2-CB 3.94Å; L268-A280 WeakPolarHBondContact CA-O 3.32Å; I269-A280 PolarHBondContact N-O 3.46Å; I269-A280 PolarHBondContact O-N 2.82Å; A280-Y282 HydrophobicContact CB-CD2 4.28Å; A280-Y282 HydrophobicContact CB-CE2 3.54Å; A280-L288 HydrophobicContact CB-CD1 4.17Å |
| 281 | C | 97.7 | Very high | 93.5 | Very high | 13 Ų | 13 | 46.1 Ų | 46.1 | 9% | 0.088 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 123.4 | 179.7 | -174.2 | 0 | 0 | 0 | 0 | 109.6 | Q289 S290 F292 | C281-Q289 PolarHBondContact O-N 3.28Å; C281-S290 WeakPolarHBondContact CB-OG 3.39Å; C281-S290 PolarHBondContact N-O 3.18Å; C281-S290 PolarHBondContact O-N 3.1Å; C281-F292 HydrophobicContact CB-CE2 4.32Å |
| 282 | Y | 98.2 | Very high | 93.6 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 3% | 0.027 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 148.9 | 178.9 | -66.9 | -99.1 | 0 | 0 | 0 | 110.3 | I247 G248 V252 T253 D266 V267 I269 A280 G286 A287 L288 | I247-Y282 HydrophobicContact CG2-CD1 3.42Å; I247-Y282 VanDerWaalsContact CG2-CD1 3.42Å; I247-Y282 HydrophobicContact CG2-CD2 3.57Å; I247-Y282 HydrophobicContact CG2-CE1 3.93Å; I247-Y282 HydrophobicContact CG2-CE2 4.06Å; I247-Y282 HydrophobicContact CG2-CG 3.23Å; G248-Y282 WeakPolarHBondContact CA-OH 3.45Å; V252-Y282 WeakPolarHBondContact CG1-OH 3.3Å; T253-Y282 HydrophobicContact CG2-CE2 3.85Å; D266-Y282 CarbonylContact C-O 3.57Å; D266-Y282 WeakPolarHBondContact CA-O 3.12Å; V267-Y282 PolarHBondContact N-O 2.95Å; V267-Y282 PolarHBondContact O-N 3.46Å; I269-Y282 HydrophobicContact CD1-CD2 3.9Å; I269-Y282 HydrophobicContact CD1-CE2 3.94Å; I269-Y282 HydrophobicContact CG1-CD2 4.48Å; A280-Y282 HydrophobicContact CB-CD2 4.28Å; A280-Y282 HydrophobicContact CB-CE2 3.54Å; Y282-G286 WeakPolarHBondContact CD1-O 3.42Å; Y282-A287 CarbonylContact C-O 3.56Å; Y282-A287 WeakPolarHBondContact CA-O 3.36Å; Y282-L288 HydrophobicContact CD1-CB 3.95Å; Y282-L288 HydrophobicContact CD1-CD1 4.3Å; Y282-L288 HydrophobicContact CD2-CD1 4.36Å; Y282-L288 HydrophobicContact CE1-CB 3.65Å; Y282-L288 HydrophobicContact CE1-CD1 3.88Å; Y282-L288 HydrophobicContact CE1-CG 4.34Å; Y282-L288 HydrophobicContact CE2-CD1 3.94Å |
| 283 | S | 96.1 | Very high | 93.7 | Very high | 16 Ų | 16 | 50.2 Ų | 50.2 | 11% | 0.112 | 27% | 0.268 | C | S | . | . | trans | -66.6 | 167.6 | 166.2 | 80.8 | 0 | 0 | 0 | 0 | 110.2 | E285 G286 A287 | S283-E285 WeakPolarHBondContact CB-OE2 3.3Å; S283-E285 PolarHBondContact O-N 3.19Å; S283-E285 PolarHBondContact OG-N 3.08Å; S283-E285 PolarHBondContact OG-OE2 3.35Å; S283-G286 PolarHBondContact O-N 3.15Å; S283-A287 PolarHBondContact N-O 3.17Å; S283-A287 PolarHBondContact OG-N 3.4Å | ||
| 284 | R | 90.6 | Very high | 93.7 | Very high | 88 Ų | 88 | 45.8 Ų | 45.8 | 33% | 0.332 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -39.3 | 174.7 | -176.9 | 178.6 | -169.8 | 159.3 | 6.6 | 111.4 | D221 D223 Y245 G286 | D221-R284 IonicContact OD2-NH1 3.8Å; D221-R284 IonicContact OD2-NH2 2.68Å; D223-R284 IonicContact OD2-CZ 3.82Å; D223-R284 IonicContact OD2-NE 3.85Å; D223-R284 IonicContact OD2-NH2 3.6Å; D223-R284 PolarHBondContact OD2-NH2 2.96Å; Y245-R284 PolarHBondContact OH-O 3.22Å; R284-G286 PolarHBondContact O-N 3.47Å |
| 285 | E | 91.8 | Very high | 93.1 | Very high | 143 Ų | 143 | 45.6 Ų | 45.6 | 67% | 0.668 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | 1 | -178.5 | -53.6 | 69.5 | -146.6 | 0 | 0 | 113.3 | S283 | S283-E285 WeakPolarHBondContact CB-OE2 3.3Å; S283-E285 PolarHBondContact O-N 3.19Å; S283-E285 PolarHBondContact OG-N 3.08Å; S283-E285 PolarHBondContact OG-OE2 3.35Å |
| 286 | G | 94.1 | Very high | 92.8 | Very high | 21 Ų | 21 | 49.5 Ų | 49.5 | 22% | 0.216 | 25% | 0.251 | C | S | . | . | S | Bend | trans | 85.5 | 14 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y282 S283 R284 | Y282-G286 WeakPolarHBondContact CD1-O 3.42Å; S283-G286 PolarHBondContact O-N 3.15Å; R284-G286 PolarHBondContact O-N 3.47Å |
| 287 | A | 95.9 | Very high | 92.3 | Very high | 48 Ų | 48 | 47.8 Ų | 47.8 | 40% | 0.397 | 25% | 0.249 | S | C | . | . | trans | -83.5 | 124.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | Y282 S283 Q289 | Y282-A287 CarbonylContact C-O 3.56Å; Y282-A287 WeakPolarHBondContact CA-O 3.36Å; S283-A287 PolarHBondContact N-O 3.17Å; S283-A287 PolarHBondContact OG-N 3.4Å; A287-Q289 PolarHBondContact O-N 3.27Å; A287-Q289 PolarHBondContact O-NE2 3.16Å; A287-Q289 VanDerWaalsContact O-NE2 3.09Å | ||
| 288 | L | 96.9 | Very high | 91.6 | Very high | 68 Ų | 68 | 53.3 Ų | 53.3 | 36% | 0.356 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 121.4 | 176.3 | -179.8 | 65.5 | 0 | 0 | 0 | 110.2 | V252 A280 Y282 E291 | V252-L288 HydrophobicContact CG1-CD1 4.22Å; V252-L288 HydrophobicContact CG1-CD2 4.29Å; V252-L288 HydrophobicContact CG2-CD2 4.36Å; A280-L288 HydrophobicContact CB-CD1 4.17Å; Y282-L288 HydrophobicContact CD1-CB 3.95Å; Y282-L288 HydrophobicContact CD1-CD1 4.3Å; Y282-L288 HydrophobicContact CD2-CD1 4.36Å; Y282-L288 HydrophobicContact CE1-CB 3.65Å; Y282-L288 HydrophobicContact CE1-CD1 3.88Å; Y282-L288 HydrophobicContact CE1-CG 4.34Å; Y282-L288 HydrophobicContact CE2-CD1 3.94Å; L288-E291 HydrophobicContact CD1-CG 4.13Å; L288-E291 HydrophobicContact CD2-CG 4.37Å |
| 289 | Q | 96.4 | Very high | 90.7 | Very high | 116 Ų | 116 | 55.2 Ų | 55.2 | 54% | 0.542 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -46.9 | 179.8 | -59.7 | -57.1 | -54.3 | 0 | 0 | 111.3 | C281 A287 | C281-Q289 PolarHBondContact O-N 3.28Å; A287-Q289 PolarHBondContact O-N 3.27Å; A287-Q289 PolarHBondContact O-NE2 3.16Å; A287-Q289 VanDerWaalsContact O-NE2 3.09Å |
| 290 | S | 96.4 | Very high | 89.2 | Confident | 38 Ų | 38 | 60.1 Ų | 60.1 | 27% | 0.266 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 158.6 | -176.5 | 62.4 | 0 | 0 | 0 | 0 | 112.3 | C281 F292 | C281-S290 WeakPolarHBondContact CB-OG 3.39Å; C281-S290 PolarHBondContact N-O 3.18Å; C281-S290 PolarHBondContact O-N 3.1Å; S290-F292 WeakPolarHBondContact OG-CE2 3.15Å; S290-F292 WeakPolarHBondContact OG-CZ 3.31Å |
| 291 | E | 96.4 | Very high | 87.8 | Confident | 29 Ų | 29 | 65.3 Ų | 65.3 | 14% | 0.136 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 142.5 | 173 | -68.4 | 176.1 | -96.9 | 0 | 0 | 108.9 | A57 T58 V252 H278 L288 | A57-E291 CarbonylContact C-O 3.58Å; A57-E291 WeakPolarHBondContact CA-O 3.28Å; A57-E291 HydrophobicContact CB-CB 3.86Å; T58-E291 PolarHBondContact N-O 3.04Å; V252-E291 HydrophobicContact CG1-CG 4.3Å; H278-E291 IonicContact CE1-OE2 2.84Å; H278-E291 IonicContact NE2-OE2 2.86Å; H278-E291 PolarHBondContact NE2-OE2 3.44Å; L288-E291 HydrophobicContact CD1-CG 4.13Å; L288-E291 HydrophobicContact CD2-CG 4.37Å |
| 292 | F | 94.9 | Very high | 86.7 | Confident | 66 Ų | 66 | 65.5 Ų | 65.5 | 29% | 0.289 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 142 | 178.6 | -59 | -85.3 | 0 | 0 | 0 | 110 | T58 M60 H278 V279 C281 S290 | T58-F292 HydrophobicContact CG2-CD1 4.16Å; T58-F292 HydrophobicContact CG2-CE1 4.29Å; T58-F292 CarbonylContact O-C 3.41Å; T58-F292 VanDerWaalsContact O-CA 3.24Å; T58-F292 WeakPolarHBondContact O-CA 3.1Å; M60-F292 HydrophobicContact CE-CB 4.05Å; M60-F292 HydrophobicContact CG-CB 3.65Å; M60-F292 HydrophobicContact CG-CD1 4.39Å; M60-F292 HydrophobicContact CG-CG 4.39Å; M60-F292 HydrophobicContact SD-CB 3.67Å; M60-F292 HydrophobicContact SD-CG 4.49Å; H278-F292 WeakPolarHBondContact CA-O 3.49Å; H278-F292 PolarHBondContact CD2-O 3.37Å; V279-F292 HydrophobicContact CB-CB 4.4Å; V279-F292 PolarHBondContact N-O 3.46Å; V279-F292 PolarHBondContact O-N 3.43Å; C281-F292 HydrophobicContact CB-CE2 4.32Å; S290-F292 WeakPolarHBondContact OG-CE2 3.15Å; S290-F292 WeakPolarHBondContact OG-CZ 3.31Å |
| 293 | E | 93.4 | Very high | 85.9 | Confident | 31 Ų | 31 | 67.5 Ų | 67.5 | 15% | 0.145 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 142.1 | 176.9 | 66.6 | 174.8 | -177.9 | 0 | 0 | 112.4 | A57 T58 P59 M60 R276 F277 P295 | A57-E293 HydrophobicContact CB-CB 4Å; A57-E293 HydrophobicContact CB-CG 3.76Å; T58-E293 PolarHBondContact O-N 3.33Å; P59-E293 CarbonylContact C-O 3.53Å; P59-E293 VanDerWaalsContact CA-O 3.3Å; P59-E293 WeakPolarHBondContact CA-O 3.2Å; M60-E293 PolarHBondContact N-O 2.77Å; R276-E293 IonicContact CZ-OE2 2.95Å; R276-E293 IonicContact NE-OE2 2.98Å; R276-E293 IonicContact NH1-OE2 3.13Å; R276-E293 PolarHBondContact NH1-OE2 3.46Å; F277-E293 CarbonylContact O-C 3.59Å; F277-E293 WeakPolarHBondContact O-CA 3.35Å; E293-P295 WeakPolarHBondContact O-CD 3.49Å |
| 294 | C | 89.8 | Confident | 85.6 | Confident | 6 Ų | 6 | 67.2 Ų | 67.2 | 4% | 0.041 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 96.1 | 166 | -162.6 | 0 | 0 | 0 | 0 | 109.4 | M60 F277 H296 V297 | M60-C294 HydrophobicContact CB-CB 4.28Å; M60-C294 HydrophobicContact CE-CB 4.29Å; M60-C294 PolarHBondContact O-SG 2.89Å; F277-C294 HydrophobicContact CB-CB 4.28Å; F277-C294 PolarHBondContact O-N 3.34Å; C294-H296 PolarHBondContact O-N 2.78Å; C294-V297 HydrophobicContact CB-CB 4.42Å; C294-V297 HydrophobicContact CB-CG2 4.22Å; C294-V297 PolarHBondContact O-N 3.41Å; C294-V297 VanDerWaalsContact SG-CG2 3.59Å |
| 295 | P | 75.6 | Confident | 85.8 | Confident | 58 Ų | 58 | 63.8 Ų | 63.8 | 38% | 0.377 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -14.9 | -172.7 | 28.9 | -35.5 | 0 | 0 | 0 | 113.3 | E293 | E293-P295 WeakPolarHBondContact O-CD 3.49Š|
| 296 | H | 77.9 | Confident | 86 | Confident | 160 Ų | 160 | 59.7 Ų | 59.7 | 74% | 0.741 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -16.7 | -177.6 | -54.2 | -55.3 | 0 | 0 | 0 | 113 | C294 K298 | C294-H296 PolarHBondContact O-N 2.78Å; H296-K298 PolarHBondContact O-N 3.45Å |
| 297 | V | 77.1 | Confident | 86 | Confident | 42 Ų | 42 | 61.4 Ų | 61.4 | 26% | 0.255 | 33% | 0.326 | S | S | . | . | trans | -91.1 | 93.9 | 178.4 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | I62 F277 C294 V299 | I62-V297 HydrophobicContact CD1-CG2 3.24Å; I62-V297 HydrophobicContact CG1-CG2 3.85Å; F277-V297 HydrophobicContact CB-CB 4.46Å; C294-V297 HydrophobicContact CB-CB 4.42Å; C294-V297 HydrophobicContact CB-CG2 4.22Å; C294-V297 PolarHBondContact O-N 3.41Å; C294-V297 VanDerWaalsContact SG-CG2 3.59Å; V297-V299 VanDerWaalsContact C-N 3.32Å; V297-V299 HydrophobicContact CG1-CB 4.27Å; V297-V299 HydrophobicContact CG1-CG1 3.46Å; V297-V299 VanDerWaalsContact CG1-CG1 3.46Å; V297-V299 HydrophobicContact CG1-CG2 4.02Å; V297-V299 PolarHBondContact O-N 3.04Å | ||
| 298 | K | 77.2 | Confident | 85.7 | Confident | 164 Ų | 164 | 62.5 Ų | 62.5 | 71% | 0.713 | 33% | 0.328 | S | S | * | . | trans | -76.3 | 85.4 | 170.6 | -70.4 | -174.3 | 178.2 | -177.6 | 0 | 109.5 | N275 H296 | N275-K298 WeakPolarHBondContact ND2-CG 3.23Å; N275-K298 WeakPolarHBondContact OD1-CA 3.37Å; N275-K298 VanDerWaalsContact OD1-CB 3.31Å; N275-K298 WeakPolarHBondContact OD1-CB 3.31Å; H296-K298 PolarHBondContact O-N 3.45Å | ||
| 299 | V | 74.5 | Confident | 84.9 | Confident | 39 Ų | 39 | 62.7 Ų | 62.7 | 24% | 0.236 | 34% | 0.335 | C | S | . | . | trans | -104 | 128.6 | 174.9 | -81.5 | 0 | 0 | 0 | 0 | 109.6 | N275 F277 V297 | N275-V299 PolarHBondContact OD1-N 2.83Å; F277-V299 HydrophobicContact CB-CG2 4.07Å; V297-V299 VanDerWaalsContact C-N 3.32Å; V297-V299 HydrophobicContact CG1-CB 4.27Å; V297-V299 HydrophobicContact CG1-CG1 3.46Å; V297-V299 VanDerWaalsContact CG1-CG1 3.46Å; V297-V299 HydrophobicContact CG1-CG2 4.02Å; V297-V299 PolarHBondContact O-N 3.04Å | ||
| 300 | S | 64.3 | Low | 83 | Confident | 110 Ų | 110 | 69.8 Ų | 69.8 | 77% | 0.769 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -75.8 | -37.3 | 172.1 | 52.8 | 0 | 0 | 0 | 0 | 111.3 | ||
| 301 | R | 69.1 | Low | 82.3 | Confident | 109 Ų | 109 | 71.4 Ų | 71.4 | 41% | 0.411 | 37% | 0.373 | S | S | . | . | trans | -148.5 | 120.6 | 176.2 | -62.5 | -168.7 | -171.2 | -170.7 | 7.5 | 111.1 | I5 F7 S272 | I5-R301 PolarHBondContact O-NH2 3.23Å; F7-R301 VanDerWaalsContact CE2-CZ 3.44Å; S272-R301 VanDerWaalsContact OG-CA 3.23Å; S272-R301 WeakPolarHBondContact OG-CA 3.49Å | ||
| 302 | C | 74.9 | Confident | 81.6 | Confident | 16 Ų | 16 | 73.6 Ų | 73.6 | 11% | 0.108 | 39% | 0.386 | C | S | . | . | trans | -74.5 | 150.6 | 162.3 | 57.9 | 0 | 0 | 0 | 0 | 109.9 | N257 S272 F277 | N257-C302 WeakPolarHBondContact CB-O 3.49Å; S272-C302 PolarHBondContact OG-N 3.42Å; F277-C302 HydrophobicContact CD2-CB 4.21Å; F277-C302 HydrophobicContact CE2-CB 4.03Å | ||
| 303 | C | 80.4 | Confident | 80.8 | Confident | 49 Ų | 49 | 74.1 Ų | 74.1 | 33% | 0.331 | 39% | 0.391 | S | S | . | . | trans | -108.4 | 3.7 | -176.7 | -62.4 | 0 | 0 | 0 | 0 | 113.2 | P79 | P79-C303 PolarHBondContact O-SG 3.15Å; P79-C303 VanDerWaalsContact O-SG 3.4Å | ||
| 304 | G | 90.7 | Very high | 80.1 | Confident | 10 Ų | 10 | 76.6 Ų | 76.6 | 10% | 0.103 | 41% | 0.405 | C | S | . | . | trans | 159 | 173.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N257 | N257-G304 WeakPolarHBondContact O-CA 3.39Å; N257-G304 PolarHBondContact O-N 2.88Å | ||
| 305 | L | 95.1 | Very high | 79.5 | Confident | 17 Ų | 17 | 81 Ų | 81 | 9% | 0.089 | 43% | 0.428 | C | S | . | . | trans | -140.4 | 135.1 | 173.4 | 175.2 | 67.7 | 0 | 0 | 0 | 107.7 | L268 F277 V279 | L268-L305 HydrophobicContact CB-CD2 3.82Å; F277-L305 HydrophobicContact CZ-CD1 3.99Å; V279-L305 HydrophobicContact CG1-CD2 3.98Å; V279-L305 HydrophobicContact CG2-CD1 4.18Å; V279-L305 HydrophobicContact CG2-CD2 4.31Å | ||
| 306 | K | 95.6 | Very high | 79.8 | Confident | 57 Ų | 57 | 82.5 Ų | 82.5 | 25% | 0.248 | 43% | 0.432 | C | S | . | . | trans | -141.8 | 148.8 | 171.1 | -64 | -65.3 | 160.6 | -134.4 | 0 | 110.9 | F82 L84 I259 D260 | F82-K306 HydrophobicContact CD2-CG 4.46Å; F82-K306 HydrophobicContact CE2-CB 3.95Å; F82-K306 HydrophobicContact CE2-CG 3.78Å; F82-K306 HydrophobicContact CZ-CB 4.4Å; F82-K306 HydrophobicContact CZ-CG 4.17Å; L84-K306 HydrophobicContact CD1-CB 3.79Å; L84-K306 HydrophobicContact CG-CB 3.8Å; L84-K306 HydrophobicContact CG-CG 4.31Å; I259-K306 PolarHBondContact O-NZ 2.97Å; D260-K306 HydrophobicContact CB-CD 4.43Å; D260-K306 IonicContact OD1-NZ 3.5Å; D260-K306 VanDerWaalsContact OD2-CA 3.26Å; D260-K306 WeakPolarHBondContact OD2-CA 3.38Å | ||
| 307 | I | 93.8 | Very high | 79.9 | Confident | 57 Ų | 57 | 77 Ų | 77 | 29% | 0.292 | 41% | 0.41 | S | S | . | . | trans | -114.7 | 130.7 | -177.2 | -53.9 | 161 | 0 | 0 | 0 | 107.8 | L84 D260 L268 | L84-I307 WeakPolarHBondContact CD1-O 3.31Å; D260-I307 HydrophobicContact CB-CD1 3.87Å; D260-I307 HydrophobicContact CB-CG1 3.97Å; D260-I307 PolarHBondContact OD2-N 3.22Å; L268-I307 HydrophobicContact CB-CD1 4.05Å; L268-I307 HydrophobicContact CD1-CD1 3.4Å; L268-I307 VanDerWaalsContact CD1-CD1 3.4Å; L268-I307 HydrophobicContact CD2-CD1 3.52Å; L268-I307 HydrophobicContact CD2-CG1 4Å; L268-I307 HydrophobicContact CG-CD1 3.81Å | ||
| 308 | T | 90.4 | Very high | 80.1 | Confident | 71 Ų | 71 | 79.7 Ų | 79.7 | 44% | 0.436 | 42% | 0.421 | S | S | . | . | trans | -86.2 | 156.1 | 172.1 | 57.4 | 0 | 0 | 0 | 0 | 109.7 | L84 E88 | L84-T308 HydrophobicContact CD1-CG2 3.85Å; E88-T308 HydrophobicContact CB-CG2 4.41Å; E88-T308 WeakPolarHBondContact OE1-CB 3.42Å | ||
| 309 | S | 79.4 | Confident | 80.3 | Confident | 72 Ų | 72 | 72.7 Ų | 72.7 | 50% | 0.503 | 40% | 0.397 | S | S | . | . | trans | -63.6 | 138.4 | 158.6 | 57.1 | 0 | 0 | 0 | 0 | 109.1 | E88 | E88-S309 WeakPolarHBondContact OE1-CA 3.44Å; E88-S309 WeakPolarHBondContact OE1-CB 3.43Å; E88-S309 PolarHBondContact OE1-N 3.17Å; E88-S309 PolarHBondContact OE1-OG 3.27Å | ||
| 310 | E | 55.8 | Low | 80.9 | Confident | 265 Ų | 265 | 75.7 Ų | 75.7 | 100% | 1.238 | 41% | 0.412 | S | S | * | . | trans | -67.6 | 0 | 178.1 | -66.2 | -169.8 | 153.3 | 0 | 0 | 112.4 |
Retrieved 310 of 310 residues in 169.9 ms
(Link to these results)