| 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 | P | 42.8 | Very low | 59.4 | Low | 175 Ų | 175 | 144.9 Ų | 144.9 | 100% | 1.136 | 84% | 0.839 | S | S | * | * | 0 | 120 | 0 | 5.7 | 17.1 | 0 | 0 | 0 | 110.8 | |||||
| 2 | P | 49.4 | Very low | 60.4 | Low | 129 Ų | 129 | 140.3 Ų | 140.3 | 84% | 0.838 | 83% | 0.831 | S | S | * | * | trans | -79 | 138.8 | -172.7 | 31.2 | -32 | 0 | 0 | 0 | 112.8 | ||||
| 3 | G | 46.3 | Very low | 61.1 | Low | 74 Ų | 74 | 138.4 Ų | 138.4 | 76% | 0.763 | 83% | 0.825 | S | S | * | * | trans | 28.5 | 105.8 | 143.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 4 | H | 58.4 | Low | 61.9 | Low | 197 Ų | 197 | 136.4 Ų | 136.4 | 91% | 0.912 | 82% | 0.818 | S | S | * | * | trans | -105 | 103.8 | 141.3 | -82.2 | -65.1 | 0 | 0 | 0 | 108.6 | ||||
| 5 | R | 59 | Low | 62.5 | Low | 240 Ų | 240 | 135 Ų | 135 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 124.2 | 172.6 | -147 | 178.4 | -167.8 | -170.5 | 3.2 | 107.6 | ||
| 6 | P | 67.7 | Low | 62.6 | Low | 106 Ų | 106 | 134.5 Ų | 134.5 | 69% | 0.688 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 151.7 | -177.9 | 25.1 | -31.9 | 0 | 0 | 0 | 111.8 | ||
| 7 | P | 67.6 | Low | 63.1 | Low | 114 Ų | 114 | 134.4 Ų | 134.4 | 74% | 0.74 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 149.1 | 179.3 | 26.1 | -33 | 0 | 0 | 0 | 111.2 | G9 | P7-G9 PolarHBondContact O-N 3.5Š|
| 8 | P | 66.5 | Low | 63.5 | Low | 127 Ų | 127 | 139.7 Ų | 139.7 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 123.2 | 178 | 22.9 | -30.8 | 0 | 0 | 0 | 109.9 | R10 | P8-R10 PolarHBondContact O-N 3.19Š|
| 9 | G | 65.5 | Low | 64 | Low | 71 Ų | 71 | 138.1 Ų | 138.1 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 137.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | P7 | P7-G9 PolarHBondContact O-N 3.5Š|
| 10 | R | 65.9 | Low | 64.2 | Low | 239 Ų | 239 | 137.4 Ų | 137.4 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 142.3 | 177.3 | -80.4 | -179.4 | 173.9 | -175 | -2.2 | 110.3 | P8 A12 | P8-R10 PolarHBondContact O-N 3.19Å; R10-A12 PolarHBondContact O-N 3.4Å |
| 11 | P | 64.7 | Low | 64.7 | Low | 122 Ų | 122 | 140.1 Ų | 140.1 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 135.9 | 177.8 | -20.6 | 30.4 | 0 | 0 | 0 | 110.7 | ||
| 12 | A | 70.5 | Confident | 66.1 | Low | 90 Ų | 90 | 136.6 Ų | 136.6 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 138.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | R10 | R10-A12 PolarHBondContact O-N 3.4Š|
| 13 | P | 70.2 | Confident | 67 | Low | 115 Ų | 115 | 135.7 Ų | 135.7 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 148 | 178.8 | 24.4 | -32 | 0 | 0 | 0 | 110.5 | ||
| 14 | P | 72.6 | Confident | 68.2 | Low | 111 Ų | 111 | 139.3 Ų | 139.3 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 149.3 | 178.6 | 24.9 | -33.1 | 0 | 0 | 0 | 110.6 | C16 | P14-C16 PolarHBondContact O-N 3.3Š|
| 15 | P | 70 | Confident | 68.8 | Low | 115 Ų | 115 | 135.8 Ų | 135.8 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 131.7 | 178.2 | 24 | -32 | 0 | 0 | 0 | 109.7 | V17 | P15-V17 PolarHBondContact O-N 2.87Š|
| 16 | C | 65.2 | Low | 69.5 | Low | 127 Ų | 127 | 130.1 Ų | 130.1 | 86% | 0.858 | 76% | 0.76 | S | S | * | * | trans | -59.7 | 101.2 | 170.9 | -72.1 | 0 | 0 | 0 | 0 | 108.9 | P14 R18 | P14-C16 PolarHBondContact O-N 3.3Å; C16-R18 PolarHBondContact O-N 3.34Å | ||
| 17 | V | 70.1 | Confident | 69.7 | Low | 132 Ų | 132 | 129.7 Ų | 129.7 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | trans | -64.3 | 106.8 | 168.5 | 180 | 0 | 0 | 0 | 0 | 106.5 | P15 P19 | P15-V17 PolarHBondContact O-N 2.87Å; V17-P19 WeakPolarHBondContact O-CD 3.47Å | ||
| 18 | R | 70.7 | Confident | 69.8 | Low | 230 Ų | 230 | 130.2 Ų | 130.2 | 87% | 0.868 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 125.4 | 172.4 | -90.9 | -177.5 | 173.7 | -177 | -1.1 | 107.9 | C16 | C16-R18 PolarHBondContact O-N 3.34Š|
| 19 | P | 73.1 | Confident | 70.2 | Confident | 110 Ų | 110 | 127 Ų | 127 | 71% | 0.714 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 148.3 | 175.1 | 18.3 | -24.8 | 0 | 0 | 0 | 110.1 | V17 R21 | V17-P19 WeakPolarHBondContact O-CD 3.47Å; P19-R21 PolarHBondContact O-N 3.03Å |
| 20 | P | 67.4 | Low | 70.4 | Confident | 123 Ų | 123 | 128.9 Ų | 128.9 | 80% | 0.799 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 134.4 | 177.7 | 21.6 | -30.5 | 0 | 0 | 0 | 109.7 | ||
| 21 | R | 74.4 | Confident | 70.6 | Confident | 196 Ų | 196 | 122.8 Ų | 122.8 | 74% | 0.74 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 127.2 | 175.7 | -177.5 | -178.8 | -88.4 | -120.9 | 1.2 | 107.7 | P19 H24 | P19-R21 PolarHBondContact O-N 3.03Å; R21-H24 PolarHBondContact NH1-NE2 3.02Å |
| 22 | P | 72.3 | Confident | 70.9 | Confident | 100 Ų | 100 | 126 Ų | 126 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 145.4 | 175.5 | -22 | 30.8 | 0 | 0 | 0 | 109.9 | H24 | P22-H24 PolarHBondContact O-N 2.8Š|
| 23 | P | 68 | Low | 71.1 | Confident | 111 Ų | 111 | 127.3 Ų | 127.3 | 72% | 0.721 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 131.7 | 170.5 | 22.4 | -30.5 | 0 | 0 | 0 | 108.2 | V25 | P23-V25 PolarHBondContact O-N 3.21Š|
| 24 | H | 72.3 | Confident | 71.3 | Confident | 150 Ų | 150 | 127.6 Ų | 127.6 | 69% | 0.694 | 74% | 0.743 | S | S | * | * | trans | -62.9 | 94.5 | 169.4 | -89.4 | -81.7 | 0 | 0 | 0 | 107.2 | R21 P22 V26 | R21-H24 PolarHBondContact NH1-NE2 3.02Å; P22-H24 PolarHBondContact O-N 2.8Å; H24-V26 VanDerWaalsContact C-N 3.27Å; H24-V26 PolarHBondContact O-N 2.96Å | ||
| 25 | V | 71.2 | Confident | 71.3 | Confident | 123 Ų | 123 | 127.2 Ų | 127.2 | 75% | 0.745 | 74% | 0.74 | S | S | * | * | trans | -68.8 | 96 | 165.6 | -178.5 | 0 | 0 | 0 | 0 | 105.1 | P23 P27 | P23-V25 PolarHBondContact O-N 3.21Å; V25-P27 WeakPolarHBondContact O-CD 3.33Å | ||
| 26 | V | 74.1 | Confident | 71.4 | Confident | 121 Ų | 121 | 127.3 Ų | 127.3 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 119.4 | 167.9 | -179.5 | 0 | 0 | 0 | 0 | 105.5 | H24 | H24-V26 VanDerWaalsContact C-N 3.27Å; H24-V26 PolarHBondContact O-N 2.96Å |
| 27 | P | 71.5 | Confident | 72 | Confident | 97 Ų | 97 | 130.5 Ų | 130.5 | 63% | 0.63 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -54 | 143.5 | 174.5 | -20.4 | 30.6 | 0 | 0 | 0 | 108.5 | V25 G29 | V25-P27 WeakPolarHBondContact O-CD 3.33Å; P27-G29 PolarHBondContact O-N 3.24Å |
| 28 | P | 69.5 | Low | 72.2 | Confident | 125 Ų | 125 | 129.1 Ų | 129.1 | 81% | 0.812 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 123.8 | 169.3 | 21.7 | -29.9 | 0 | 0 | 0 | 107.7 | ||
| 29 | G | 74.1 | Confident | 72.2 | Confident | 58 Ų | 58 | 123.4 Ų | 123.4 | 60% | 0.598 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 147.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | P27 | P27-G29 PolarHBondContact O-N 3.24Š|
| 30 | P | 70.8 | Confident | 72.3 | Confident | 112 Ų | 112 | 125.1 Ų | 125.1 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 141.2 | 176.4 | 21.2 | -30.7 | 0 | 0 | 0 | 108.6 | H32 | P30-H32 PolarHBondContact O-N 3.03Š|
| 31 | P | 69.5 | Low | 72.7 | Confident | 111 Ų | 111 | 125.1 Ų | 125.1 | 72% | 0.721 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 125.2 | 179.4 | 20.4 | -30.7 | 0 | 0 | 0 | 107.6 | V33 | P31-V33 PolarHBondContact O-N 2.85Š|
| 32 | H | 72.4 | Confident | 72.8 | Confident | 188 Ų | 188 | 121.5 Ų | 121.5 | 87% | 0.87 | 72% | 0.717 | S | S | * | * | trans | -60.6 | 95.3 | 167.5 | -90.7 | -74.5 | 0 | 0 | 0 | 106.1 | P30 V34 | P30-H32 PolarHBondContact O-N 3.03Å; H32-V34 PolarHBondContact O-N 2.73Å | ||
| 33 | V | 73.4 | Confident | 72.9 | Confident | 119 Ų | 119 | 121.4 Ų | 121.4 | 72% | 0.721 | 72% | 0.716 | S | S | * | * | trans | -69.3 | 90.6 | 169.6 | -178 | 0 | 0 | 0 | 0 | 104.5 | P31 P35 | P31-V33 PolarHBondContact O-N 2.85Å; V33-P35 VanDerWaalsContact O-CD 3.23Å; V33-P35 WeakPolarHBondContact O-CD 3.23Å; V33-P35 VanDerWaalsContact O-N 3.11Å | ||
| 34 | V | 73.8 | Confident | 73 | Confident | 121 Ų | 121 | 121.9 Ų | 121.9 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 117 | 167.5 | 179.9 | 0 | 0 | 0 | 0 | 105.1 | H32 | H32-V34 PolarHBondContact O-N 2.73Š|
| 35 | P | 73.1 | Confident | 72.8 | Confident | 102 Ų | 102 | 125.4 Ų | 125.4 | 66% | 0.662 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 136.8 | 176.8 | -21.3 | 31.2 | 0 | 0 | 0 | 108 | V33 R37 | V33-P35 VanDerWaalsContact O-CD 3.23Å; V33-P35 WeakPolarHBondContact O-CD 3.23Å; V33-P35 VanDerWaalsContact O-N 3.11Å; P35-R37 PolarHBondContact O-N 3.1Å; P35-R37 VanDerWaalsContact O-N 3.1Å |
| 36 | P | 73.4 | Confident | 72.4 | Confident | 118 Ų | 118 | 124 Ų | 124 | 77% | 0.766 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 127.3 | 175.4 | 21.9 | -30.2 | 0 | 0 | 0 | 107.9 | P38 | P36-P38 VanDerWaalsContact O-N 3.13Š|
| 37 | R | 77.6 | Confident | 71.8 | Confident | 193 Ų | 193 | 123.4 Ų | 123.4 | 73% | 0.728 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 125.2 | 170.3 | 176.3 | -180 | -76 | -106.8 | -2.4 | 106.4 | P35 H40 | P35-R37 PolarHBondContact O-N 3.1Å; P35-R37 VanDerWaalsContact O-N 3.1Å; R37-H40 PolarHBondContact NH1-NE2 3.07Å |
| 38 | P | 72.9 | Confident | 71.2 | Confident | 103 Ų | 103 | 124 Ų | 124 | 67% | 0.669 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 134.3 | 175.7 | -24.2 | 31.2 | 0 | 0 | 0 | 108 | P36 H40 | P36-P38 VanDerWaalsContact O-N 3.13Å; P38-H40 PolarHBondContact O-N 2.78Å |
| 39 | P | 72.2 | Confident | 70.6 | Confident | 111 Ų | 111 | 126.6 Ų | 126.6 | 72% | 0.721 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 126.4 | 176.6 | 20.8 | -30.1 | 0 | 0 | 0 | 107.3 | V41 | P39-V41 PolarHBondContact O-N 3.05Š|
| 40 | H | 75.3 | Confident | 70.4 | Confident | 145 Ų | 145 | 135.3 Ų | 135.3 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | trans | -59.2 | 100.5 | 167.8 | -85.8 | -75 | 0 | 0 | 0 | 105.8 | R37 P38 V42 | R37-H40 PolarHBondContact NH1-NE2 3.07Å; P38-H40 PolarHBondContact O-N 2.78Å; H40-V42 PolarHBondContact O-N 3.07Å | ||
| 41 | V | 74.6 | Confident | 70.9 | Confident | 123 Ų | 123 | 136 Ų | 136 | 75% | 0.745 | 73% | 0.732 | S | S | * | * | trans | -67.7 | 91.1 | 171.4 | -179 | 0 | 0 | 0 | 0 | 104.9 | P39 P43 | P39-V41 PolarHBondContact O-N 3.05Å; V41-P43 VanDerWaalsContact O-CD 3.24Å; V41-P43 WeakPolarHBondContact O-CD 3.47Å; V41-P43 VanDerWaalsContact O-N 3.14Å | ||
| 42 | V | 77 | Confident | 72 | Confident | 121 Ų | 121 | 132.9 Ų | 132.9 | 73% | 0.733 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 117.7 | 170.2 | -179.5 | 0 | 0 | 0 | 0 | 105.1 | H40 | H40-V42 PolarHBondContact O-N 3.07Š|
| 43 | P | 74.9 | Confident | 73 | Confident | 98 Ų | 98 | 124.4 Ų | 124.4 | 64% | 0.636 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 138.7 | 176.3 | -22.8 | 31.9 | 0 | 0 | 0 | 108.4 | V41 R45 | V41-P43 VanDerWaalsContact O-CD 3.24Å; V41-P43 WeakPolarHBondContact O-CD 3.47Å; V41-P43 VanDerWaalsContact O-N 3.14Å; P43-R45 PolarHBondContact O-N 3.32Å |
| 44 | P | 68.7 | Low | 74.2 | Confident | 121 Ų | 121 | 122.3 Ų | 122.3 | 79% | 0.786 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 125.4 | 177.3 | 19.7 | -30 | 0 | 0 | 0 | 108.4 | P46 | P44-P46 VanDerWaalsContact O-N 3.17Š|
| 45 | R | 68.7 | Low | 75.3 | Confident | 223 Ų | 223 | 116.6 Ų | 116.6 | 84% | 0.842 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 126.6 | 179 | -167.1 | -179.5 | -155.7 | -141 | 4.6 | 107.2 | P43 | P43-R45 PolarHBondContact O-N 3.32Š|
| 46 | P | 63.3 | Low | 76.4 | Confident | 95 Ų | 95 | 111.7 Ų | 111.7 | 62% | 0.617 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -49 | 140.7 | 174.2 | -24.7 | 31.4 | 0 | 0 | 0 | 108.6 | P44 | P44-P46 VanDerWaalsContact O-N 3.17Š|
| 47 | P | 60.7 | Low | 77.5 | Confident | 108 Ų | 108 | 107.8 Ų | 107.8 | 70% | 0.701 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 137.7 | 173.8 | -22.8 | 30.6 | 0 | 0 | 0 | 108.1 | Q49 | P47-Q49 PolarHBondContact O-N 3.39Š|
| 48 | P | 59 | Low | 78.4 | Confident | 108 Ų | 108 | 98.6 Ų | 98.6 | 70% | 0.701 | 53% | 0.529 | S | S | * | . | trans | -47.8 | 112.8 | 179.2 | -24.3 | 30.9 | 0 | 0 | 0 | 108 | R50 | P48-R50 PolarHBondContact O-N 2.82Š| ||
| 49 | Q | 58.3 | Low | 79.4 | Confident | 181 Ų | 181 | 98.5 Ų | 98.5 | 85% | 0.846 | 52% | 0.521 | S | S | * | . | trans | -57.6 | 108.7 | -178.8 | -78 | -178.5 | -15.5 | 0 | 0 | 105.7 | P47 Q51 | P47-Q49 PolarHBondContact O-N 3.39Å; Q49-Q51 PolarHBondContact O-N 3.49Å | ||
| 50 | R | 68.4 | Low | 80.4 | Confident | 241 Ų | 241 | 93.7 Ų | 93.7 | 91% | 0.909 | 49% | 0.49 | S | S | * | . | trans | -60.1 | 105.1 | 178.4 | -72.6 | -175.8 | 176.1 | -177.4 | 0.9 | 105.6 | P48 A52 | P48-R50 PolarHBondContact O-N 2.82Å; R50-A52 PolarHBondContact O-N 2.87Å | ||
| 51 | Q | 82.6 | Confident | 81.3 | Confident | 125 Ų | 125 | 89.2 Ų | 89.2 | 58% | 0.584 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -48.5 | 127.3 | -178.3 | -73.3 | 178 | -11.6 | 0 | 0 | 108.8 | Q49 V53 | Q49-Q51 PolarHBondContact O-N 3.49Å; Q51-V53 PolarHBondContact O-N 2.87Å |
| 52 | A | 91.5 | Very high | 82.1 | Confident | 47 Ų | 47 | 86.8 Ų | 86.8 | 39% | 0.388 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 133.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | R50 Y54 A107 | R50-A52 PolarHBondContact O-N 2.87Å; A52-Y54 HydrophobicContact CB-CD2 4.45Å; A52-Y54 HydrophobicContact CB-CE2 3.6Å; A52-A107 HydrophobicContact CB-CB 4.47Å |
| 53 | V | 94.8 | Very high | 82.8 | Confident | 10 Ų | 10 | 84 Ų | 84 | 6% | 0.061 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -95.6 | 126.4 | 178.7 | -176.1 | 0 | 0 | 0 | 0 | 107.7 | Q51 T60 A107 V108 R180 V185 | Q51-V53 PolarHBondContact O-N 2.87Å; V53-T60 HydrophobicContact CB-CG2 4.3Å; V53-T60 HydrophobicContact CG1-CG2 4.37Å; V53-T60 HydrophobicContact CG2-CG2 4.04Å; V53-A107 CarbonylContact O-C 3.55Å; V53-A107 WeakPolarHBondContact O-CA 3.39Å; V53-V108 VanDerWaalsContact CB-O 3.26Å; V53-V108 WeakPolarHBondContact CB-O 3.46Å; V53-V108 WeakPolarHBondContact CG1-O 3.49Å; V53-V108 PolarHBondContact O-N 2.9Å; V53-R180 HydrophobicContact CG2-CB 4.49Å; V53-V185 HydrophobicContact CG1-CB 4.24Å; V53-V185 HydrophobicContact CG1-CG1 3.57Å |
| 54 | Y | 96.6 | Very high | 83.7 | Confident | 74 Ų | 74 | 82.6 Ų | 82.6 | 29% | 0.29 | 44% | 0.438 | S | S | . | . | trans | -115.3 | 154.9 | 174.6 | -63.1 | -81 | 0 | 0 | 0 | 109.7 | A52 R105 A107 | A52-Y54 HydrophobicContact CB-CD2 4.45Å; A52-Y54 HydrophobicContact CB-CE2 3.6Å; Y54-R105 WeakPolarHBondContact CE1-O 3.17Å; Y54-A107 HydrophobicContact CE1-CB 4.26Å | ||
| 55 | C | 97.2 | Very high | 85 | Confident | 1 Ų | 1 | 77.3 Ų | 77.3 | 1% | 0.007 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 149.3 | 174.6 | 67.9 | 0 | 0 | 0 | 0 | 110.7 | D57 H100 V108 P186 C188 | C55-D57 PolarHBondContact O-N 3.06Å; C55-H100 HydrophobicContact CB-CB 3.5Å; C55-V108 HydrophobicContact CB-CG1 4.32Å; C55-P186 CarbonylContact C-O 3.24Å; C55-P186 WeakPolarHBondContact CA-O 3.39Å; C55-P186 HydrophobicContact CB-CG 4.43Å; C55-C188 HydrophobicContact CB-CB 4.07Å; C55-C188 WeakPolarHBondContact CB-SG 3.47Å; C55-C188 PolarHBondContact O-SG 2.88Å; C55-C188 WeakPolarHBondContact SG-CA 3.35Å; C55-C188 WeakPolarHBondContact SG-CB 3.22Å; C55-C188 CovalentContact SG-SG 2.05Å; C55-C188 PolarHBondContact SG-SG 3.04Å |
| 56 | G | 97.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 13.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | P186 A266 | G56-P186 PolarHBondContact N-O 3.32Å; G56-A266 WeakPolarHBondContact CA-O 3.41Å; G56-A266 PolarHBondContact O-N 3.26Å |
| 57 | D | 96.4 | Very high | 87.6 | Confident | 35 Ų | 35 | 67 Ų | 67 | 19% | 0.187 | 36% | 0.358 | C | S | . | . | trans | -121 | 135.1 | -178.8 | -168.9 | -12.7 | 0 | 0 | 0 | 110.3 | C55 I59 V185 | C55-D57 PolarHBondContact O-N 3.06Å; D57-I59 WeakPolarHBondContact OD1-CB 3.36Å; D57-I59 WeakPolarHBondContact OD1-CG2 3.24Å; D57-I59 PolarHBondContact OD1-N 3.23Å; D57-V185 WeakPolarHBondContact O-CG2 3.24Å | ||
| 58 | T | 95.7 | Very high | 89.2 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | trans | -114.2 | 2.6 | -176.1 | 57.5 | 0 | 0 | 0 | 0 | 113.6 | T60 F61 R63 L65 Y68 P79 W80 | T58-T60 PolarHBondContact O-N 3.45Å; T58-F61 WeakPolarHBondContact O-CB 3.48Å; T58-F61 PolarHBondContact O-N 3.12Å; T58-R63 CarbonylContact C-O 3.6Å; T58-R63 PolarHBondContact OG1-O 2.93Å; T58-R63 VanDerWaalsContact OG1-O 3.08Å; T58-L65 HydrophobicContact CG2-CD2 3.69Å; T58-L65 PolarHBondContact OG1-N 3.24Å; T58-Y68 HydrophobicContact CG2-CE2 3.76Å; T58-P79 HydrophobicContact CG2-CG 3.68Å; T58-W80 HydrophobicContact CG2-CZ3 4.34Å | ||
| 59 | I | 94 | Very high | 90.8 | Very high | 101 Ų | 101 | 58.7 Ų | 58.7 | 52% | 0.518 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -55.6 | -30.2 | 178.9 | -164.2 | 167.3 | 0 | 0 | 0 | 112.6 | D57 F61 G62 R63 | D57-I59 WeakPolarHBondContact OD1-CB 3.36Å; D57-I59 WeakPolarHBondContact OD1-CG2 3.24Å; D57-I59 PolarHBondContact OD1-N 3.23Å; I59-F61 PolarHBondContact O-N 3.38Å; I59-G62 WeakPolarHBondContact O-CA 3.47Å; I59-G62 PolarHBondContact O-N 3.12Å; I59-R63 PolarHBondContact N-O 3.08Å |
| 60 | T | 93.4 | Very high | 92.2 | Very high | 10 Ų | 10 | 54 Ų | 54 | 6% | 0.061 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -60.3 | -29.5 | 178.4 | 68.4 | 0 | 0 | 0 | 0 | 111.8 | V53 T58 G62 R180 | V53-T60 HydrophobicContact CB-CG2 4.3Å; V53-T60 HydrophobicContact CG1-CG2 4.37Å; V53-T60 HydrophobicContact CG2-CG2 4.04Å; T58-T60 PolarHBondContact O-N 3.45Å; T60-G62 VanDerWaalsContact C-N 3.32Å; T60-R180 VanDerWaalsContact CB-CZ 3.46Å; T60-R180 PolarHBondContact O-NE 3.31Å; T60-R180 PolarHBondContact O-NH2 2.93Å; T60-R180 PolarHBondContact OG1-NE 3.41Å; T60-R180 PolarHBondContact OG1-NH1 2.68Å |
| 61 | F | 93.4 | Very high | 92.9 | Very high | 50 Ų | 50 | 45.1 Ų | 45.1 | 22% | 0.219 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -85.6 | 5.4 | 172.6 | -65.5 | -72 | 0 | 0 | 0 | 113.9 | T58 I59 R63 P79 V185 | T58-F61 WeakPolarHBondContact O-CB 3.48Å; T58-F61 PolarHBondContact O-N 3.12Å; I59-F61 PolarHBondContact O-N 3.38Å; F61-R63 PolarHBondContact O-N 2.95Å; F61-P79 HydrophobicContact CE2-CB 3.73Å; F61-P79 HydrophobicContact CE2-CG 4.09Å; F61-P79 HydrophobicContact CZ-CB 4.3Å; F61-V185 HydrophobicContact CE2-CG1 3.75Å; F61-V185 HydrophobicContact CE2-CG2 4.11Å; F61-V185 HydrophobicContact CZ-CG1 4.28Å |
| 62 | G | 92.3 | Very high | 92.7 | Very high | 72 Ų | 72 | 46.4 Ų | 46.4 | 74% | 0.742 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | 27 | -173 | 0 | 0 | 0 | 0 | 0 | 112.9 | I59 T60 | I59-G62 WeakPolarHBondContact O-CA 3.47Å; I59-G62 PolarHBondContact O-N 3.12Å; T60-G62 VanDerWaalsContact C-N 3.32Å |
| 63 | R | 91.4 | Very high | 91.9 | Very high | 62 Ų | 62 | 48.9 Ų | 48.9 | 23% | 0.234 | 29% | 0.286 | C | S | . | . | trans | -131.4 | 150.4 | -174.3 | -69.3 | -179.9 | 75.5 | 155.2 | 0.6 | 111.5 | T58 I59 F61 S67 Y68 N73 D76 | T58-R63 CarbonylContact C-O 3.6Å; T58-R63 PolarHBondContact OG1-O 2.93Å; T58-R63 VanDerWaalsContact OG1-O 3.08Å; I59-R63 PolarHBondContact N-O 3.08Å; F61-R63 PolarHBondContact O-N 2.95Å; R63-S67 PolarHBondContact NE-OG 3.47Å; R63-S67 PolarHBondContact NH2-O 2.81Å; R63-Y68 HydrophobicContact CB-CE2 4.06Å; R63-N73 PolarHBondContact NH2-O 2.9Å; R63-D76 IonicContact CZ-OD2 3.41Å; R63-D76 IonicContact NH1-OD2 3.99Å; R63-D76 PolarHBondContact NH1-OD2 3.38Å; R63-D76 IonicContact NH2-OD2 3.6Å; R63-D76 PolarHBondContact NH2-OD2 2.83Å; R63-D76 VanDerWaalsContact NH2-OD2 3.13Å | ||
| 64 | S | 93.9 | Very high | 91.2 | Very high | 70 Ų | 70 | 49.9 Ų | 49.9 | 49% | 0.49 | 30% | 0.295 | S | S | . | . | trans | -90 | 157.3 | 167.5 | 69.1 | 0 | 0 | 0 | 0 | 110.5 | Q66 S67 Y68 | S64-Q66 PolarHBondContact O-N 2.99Å; S64-S67 WeakPolarHBondContact O-CB 3.19Å; S64-S67 PolarHBondContact O-N 2.98Å; S64-S67 VanDerWaalsContact O-N 3.14Å; S64-S67 PolarHBondContact O-OG 3.43Å; S64-S67 PolarHBondContact OG-N 3.4Å; S64-Y68 WeakPolarHBondContact O-CD2 3.32Å | ||
| 65 | L | 95.6 | Very high | 90.5 | Very high | 9 Ų | 9 | 52 Ų | 52 | 5% | 0.047 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -58.3 | -38.3 | 174.4 | -70.5 | 172.7 | 0 | 0 | 0 | 112.3 | T58 S67 Y68 W80 I261 G264 A266 | T58-L65 HydrophobicContact CG2-CD2 3.69Å; T58-L65 PolarHBondContact OG1-N 3.24Å; L65-S67 PolarHBondContact O-N 3.37Å; L65-Y68 PolarHBondContact O-N 3Å; L65-W80 HydrophobicContact CD2-CH2 3.63Å; L65-W80 HydrophobicContact CD2-CZ3 4.24Å; L65-I261 HydrophobicContact CB-CD1 3.83Å; L65-I261 HydrophobicContact CB-CG1 4.41Å; L65-I261 HydrophobicContact CD1-CG1 4.24Å; L65-I261 HydrophobicContact CD1-CG2 3.94Å; L65-G264 VanDerWaalsContact CD1-O 3.23Å; L65-G264 WeakPolarHBondContact CD1-O 3.28Å; L65-A266 HydrophobicContact CD1-CB 3.96Å; L65-A266 HydrophobicContact CD2-CB 4.02Å |
| 66 | Q | 93 | Very high | 90.2 | Very high | 84 Ų | 84 | 54.6 Ų | 54.6 | 39% | 0.393 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -63.8 | -29.3 | -179.9 | -159.5 | 64.4 | 16.9 | 0 | 0 | 112.4 | S64 Y68 V69 V70 | S64-Q66 PolarHBondContact O-N 2.99Å; Q66-Y68 PolarHBondContact O-N 2.91Å; Q66-Y68 VanDerWaalsContact O-N 3.16Å; Q66-V69 VanDerWaalsContact O-CG2 3.32Å; Q66-V69 WeakPolarHBondContact O-CG2 3.41Å; Q66-V69 PolarHBondContact O-N 2.78Å; Q66-V69 VanDerWaalsContact O-N 3.08Å; Q66-V70 HydrophobicContact CG-CB 4.22Å; Q66-V70 HydrophobicContact CG-CG2 4.06Å; Q66-V70 PolarHBondContact O-N 2.87Å |
| 67 | S | 92.9 | Very high | 90 | Very high | 18 Ų | 18 | 55 Ų | 55 | 13% | 0.126 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -66.7 | -13.2 | 179.7 | 76.5 | 0 | 0 | 0 | 0 | 114.6 | R63 S64 L65 N73 | R63-S67 PolarHBondContact NE-OG 3.47Å; R63-S67 PolarHBondContact NH2-O 2.81Å; S64-S67 WeakPolarHBondContact O-CB 3.19Å; S64-S67 PolarHBondContact O-N 2.98Å; S64-S67 VanDerWaalsContact O-N 3.14Å; S64-S67 PolarHBondContact O-OG 3.43Å; S64-S67 PolarHBondContact OG-N 3.4Å; L65-S67 PolarHBondContact O-N 3.37Å; S67-N73 CarbonylContact O-C 3.57Å; S67-N73 VanDerWaalsContact O-CB 3.22Å; S67-N73 WeakPolarHBondContact O-CB 3.17Å |
| 68 | Y | 94.4 | Very high | 90.1 | Very high | 10 Ų | 10 | 53.4 Ų | 53.4 | 4% | 0.039 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -85.8 | -16.7 | 174.9 | -68.5 | -92.7 | 0 | 0 | 0 | 112.6 | T58 R63 S64 L65 Q66 A74 D76 M77 F78 | T58-Y68 HydrophobicContact CG2-CE2 3.76Å; R63-Y68 HydrophobicContact CB-CE2 4.06Å; S64-Y68 WeakPolarHBondContact O-CD2 3.32Å; L65-Y68 PolarHBondContact O-N 3Å; Q66-Y68 PolarHBondContact O-N 2.91Å; Q66-Y68 VanDerWaalsContact O-N 3.16Å; Y68-A74 WeakPolarHBondContact O-CA 3.15Å; Y68-D76 HydrophobicContact CD1-CB 4.08Å; Y68-D76 HydrophobicContact CE1-CB 4.25Å; Y68-M77 WeakPolarHBondContact CD1-O 3.28Å; Y68-M77 VanDerWaalsContact CE1-O 3.26Å; Y68-M77 WeakPolarHBondContact CE1-O 3.48Å; Y68-F78 HydrophobicContact CD1-CD1 4.47Å; Y68-F78 HydrophobicContact CD2-CD1 4.34Å; Y68-F78 HydrophobicContact CD2-CE1 4.47Å; Y68-F78 AromaticContact CG-CD1 3.97Å; Y68-F78 HydrophobicContact CG-CD1 3.97Å; Y68-F78 HydrophobicContact CG-CE1 4.23Å |
| 69 | V | 92.5 | Very high | 90.1 | Very high | 31 Ų | 31 | 53.6 Ų | 53.6 | 19% | 0.188 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.5 | -13.6 | -171.8 | -69 | 0 | 0 | 0 | 0 | 113.2 | Q66 F78 Y203 E216 | Q66-V69 VanDerWaalsContact O-CG2 3.32Å; Q66-V69 WeakPolarHBondContact O-CG2 3.41Å; Q66-V69 PolarHBondContact O-N 2.78Å; Q66-V69 VanDerWaalsContact O-N 3.08Å; V69-F78 HydrophobicContact CG1-CE1 4.3Å; V69-F78 HydrophobicContact CG1-CE2 4.11Å; V69-F78 HydrophobicContact CG1-CZ 3.58Å; V69-Y203 HydrophobicContact CB-CD1 4.34Å; V69-Y203 HydrophobicContact CB-CE1 3.76Å; V69-Y203 HydrophobicContact CG1-CD1 3.75Å; V69-Y203 HydrophobicContact CG1-CE1 3.67Å; V69-Y203 HydrophobicContact CG1-CE2 4.46Å; V69-Y203 HydrophobicContact CG1-CG 4.19Å; V69-Y203 HydrophobicContact CG2-CE1 4.07Å; V69-Y203 HydrophobicContact CG2-CE2 4.38Å; V69-E216 HydrophobicContact CG1-CB 3.95Å; V69-E216 HydrophobicContact CG1-CG 4.28Å |
| 70 | V | 88 | Confident | 90.3 | Very high | 83 Ų | 83 | 48.8 Ų | 48.8 | 50% | 0.503 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -126.5 | 139 | 179.8 | 174.9 | 0 | 0 | 0 | 0 | 111.8 | Q66 | Q66-V70 HydrophobicContact CG-CB 4.22Å; Q66-V70 HydrophobicContact CG-CG2 4.06Å; Q66-V70 PolarHBondContact O-N 2.87Å |
| 71 | G | 84.7 | Confident | 90.6 | Very high | 54 Ų | 54 | 48.3 Ų | 48.3 | 56% | 0.557 | 29% | 0.289 | S | S | * | . | S | Bend | trans | 76.8 | -167.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N73 A74 | G71-N73 PolarHBondContact O-N 3.08Å; G71-N73 VanDerWaalsContact O-N 3.15Å; G71-A74 WeakPolarHBondContact O-CB 3.4Å; G71-A74 PolarHBondContact O-N 2.95Å |
| 72 | N | 78 | Confident | 90.8 | Very high | 153 Ų | 153 | 45.9 Ų | 45.9 | 82% | 0.818 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -23.3 | -175.3 | -67 | -22.5 | 0 | 0 | 0 | 113.8 | A74 | N72-A74 VanDerWaalsContact C-N 3.26Å; N72-A74 PolarHBondContact O-N 2.82Å |
| 73 | N | 74.8 | Confident | 91.1 | Very high | 99 Ų | 99 | 42.7 Ų | 42.7 | 53% | 0.529 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -6.2 | 177.9 | -70.3 | -23 | 0 | 0 | 0 | 113.4 | R63 S67 G71 Q75 D76 | R63-N73 PolarHBondContact NH2-O 2.9Å; S67-N73 CarbonylContact O-C 3.57Å; S67-N73 VanDerWaalsContact O-CB 3.22Å; S67-N73 WeakPolarHBondContact O-CB 3.17Å; G71-N73 PolarHBondContact O-N 3.08Å; G71-N73 VanDerWaalsContact O-N 3.15Å; N73-Q75 PolarHBondContact O-N 3.31Å; N73-D76 PolarHBondContact O-N 2.86Å |
| 74 | A | 79.7 | Confident | 91.4 | Very high | 30 Ų | 30 | 39.7 Ų | 39.7 | 25% | 0.248 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 14.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y68 G71 N72 D76 | Y68-A74 WeakPolarHBondContact O-CA 3.15Å; G71-A74 WeakPolarHBondContact O-CB 3.4Å; G71-A74 PolarHBondContact O-N 2.95Å; N72-A74 VanDerWaalsContact C-N 3.26Å; N72-A74 PolarHBondContact O-N 2.82Å; A74-D76 VanDerWaalsContact C-N 3.32Å |
| 75 | Q | 81.9 | Confident | 91.5 | Very high | 118 Ų | 118 | 36.4 Ų | 36.4 | 55% | 0.551 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -9.6 | 171.4 | -63.9 | -170.5 | 5.5 | 0 | 0 | 113.5 | N73 R213 | N73-Q75 PolarHBondContact O-N 3.31Å; Q75-R213 VanDerWaalsContact CA-NH2 3.34Å; Q75-R213 PolarHBondContact O-NH2 3.08Å; Q75-R213 VanDerWaalsContact O-NH2 3.15Å |
| 76 | D | 90.1 | Very high | 91.5 | Very high | 56 Ų | 56 | 37 Ų | 37 | 30% | 0.299 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -98.9 | 145.5 | 177.1 | -68.7 | -59.9 | 0 | 0 | 0 | 111.4 | R63 Y68 N73 A74 | R63-D76 IonicContact CZ-OD2 3.41Å; R63-D76 IonicContact NH1-OD2 3.99Å; R63-D76 PolarHBondContact NH1-OD2 3.38Å; R63-D76 IonicContact NH2-OD2 3.6Å; R63-D76 PolarHBondContact NH2-OD2 2.83Å; R63-D76 VanDerWaalsContact NH2-OD2 3.13Å; Y68-D76 HydrophobicContact CD1-CB 4.08Å; Y68-D76 HydrophobicContact CE1-CB 4.25Å; N73-D76 PolarHBondContact O-N 2.86Å; A74-D76 VanDerWaalsContact C-N 3.32Å |
| 77 | M | 94.3 | Very high | 91.6 | Very high | 10 Ų | 10 | 39.3 Ų | 39.3 | 5% | 0.049 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -83.2 | 158.2 | 176.1 | 72.1 | 176.5 | -162.6 | 0 | 0 | 111.6 | Y68 N81 G134 S135 P136 I214 E216 | Y68-M77 WeakPolarHBondContact CD1-O 3.28Å; Y68-M77 VanDerWaalsContact CE1-O 3.26Å; Y68-M77 WeakPolarHBondContact CE1-O 3.48Å; M77-N81 HydrophobicContact CE-CB 4.28Å; M77-N81 WeakPolarHBondContact CE-O 3.44Å; M77-N81 HydrophobicContact CG-CB 4.45Å; M77-N81 HydrophobicContact SD-CB 3.9Å; M77-G134 VanDerWaalsContact CE-N 3.32Å; M77-S135 VanDerWaalsContact SD-O 3.36Å; M77-P136 HydrophobicContact CB-CB 4.12Å; M77-P136 HydrophobicContact CG-CB 4.18Å; M77-I214 HydrophobicContact CB-CB 4.07Å; M77-I214 HydrophobicContact CB-CG2 3.6Å; M77-I214 HydrophobicContact SD-CB 4.2Å; M77-I214 HydrophobicContact SD-CD1 3.53Å; M77-I214 VanDerWaalsContact SD-CD1 3.53Å; M77-I214 HydrophobicContact SD-CG1 4.44Å; M77-I214 HydrophobicContact SD-CG2 4.33Å; M77-E216 VanDerWaalsContact CA-OE1 3.23Å; M77-E216 WeakPolarHBondContact CA-OE1 3.49Å |
| 78 | F | 97.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -58.2 | 139.7 | 168.1 | -71.2 | -54.7 | 0 | 0 | 0 | 112.3 | Y68 V69 W80 N81 Y203 E216 | Y68-F78 HydrophobicContact CD1-CD1 4.47Å; Y68-F78 HydrophobicContact CD2-CD1 4.34Å; Y68-F78 HydrophobicContact CD2-CE1 4.47Å; Y68-F78 AromaticContact CG-CD1 3.97Å; Y68-F78 HydrophobicContact CG-CD1 3.97Å; Y68-F78 HydrophobicContact CG-CE1 4.23Å; V69-F78 HydrophobicContact CG1-CE1 4.3Å; V69-F78 HydrophobicContact CG1-CE2 4.11Å; V69-F78 HydrophobicContact CG1-CZ 3.58Å; F78-W80 VanDerWaalsContact C-N 3.25Å; F78-W80 HydrophobicContact CB-CD2 4.09Å; F78-W80 HydrophobicContact CB-CH2 4.26Å; F78-W80 HydrophobicContact CB-CZ2 3.49Å; F78-W80 VanDerWaalsContact CB-CZ2 3.49Å; F78-W80 AromaticContact CD1-CH2 3.84Å; F78-W80 HydrophobicContact CD1-CH2 3.84Å; F78-W80 AromaticContact CD1-CZ2 3.49Å; F78-W80 HydrophobicContact CD1-CZ2 3.49Å; F78-W80 VanDerWaalsContact CD1-CZ2 3.49Å; F78-W80 AromaticContact CD2-CZ2 3.89Å; F78-W80 HydrophobicContact CD2-CZ2 3.89Å; F78-W80 HydrophobicContact CE1-CH2 4.42Å; F78-W80 HydrophobicContact CE1-CZ2 4.14Å; F78-W80 HydrophobicContact CE2-CZ2 4.47Å; F78-W80 AromaticContact CG-CE2 3.77Å; F78-W80 HydrophobicContact CG-CH2 4.14Å; F78-W80 AromaticContact CG-CZ2 3.36Å; F78-W80 HydrophobicContact CG-CZ2 3.36Å; F78-W80 AromaticContact CG-NE1 3.91Å; F78-W80 PolarHBondContact O-N 2.83Å; F78-W80 VanDerWaalsContact O-N 3.13Å; F78-N81 PolarHBondContact N-ND2 2.86Å; F78-N81 VanDerWaalsContact O-CB 3.29Å; F78-N81 WeakPolarHBondContact O-CB 3.37Å; F78-N81 PolarHBondContact O-N 3.14Å; F78-N81 PolarHBondContact O-ND2 2.94Å; F78-Y203 HydrophobicContact CE2-CD2 4.48Å; F78-Y203 HydrophobicContact CE2-CG 4.31Å; F78-Y203 HydrophobicContact CZ-CD2 4.32Å; F78-Y203 HydrophobicContact CZ-CG 4.48Å; F78-E216 HydrophobicContact CD2-CG 3.38Å; F78-E216 HydrophobicContact CE2-CB 4.29Å; F78-E216 HydrophobicContact CE2-CG 3.43Å; F78-E216 VanDerWaalsContact CE2-CG 3.43Å; F78-E216 HydrophobicContact CG-CG 4.25Å; F78-E216 HydrophobicContact CZ-CG 4.31Å; F78-E216 PolarHBondContact N-OE1 3.26Å |
| 79 | P | 97.1 | Very high | 91.3 | Very high | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.032 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -4.1 | -168.4 | 29.2 | -36.9 | 0 | 0 | 0 | 115.3 | T58 F61 V184 V185 | T58-P79 HydrophobicContact CG2-CG 3.68Å; F61-P79 HydrophobicContact CE2-CB 3.73Å; F61-P79 HydrophobicContact CE2-CG 4.09Å; F61-P79 HydrophobicContact CZ-CB 4.3Å; P79-V184 WeakPolarHBondContact O-CA 3.16Å; P79-V184 WeakPolarHBondContact O-CB 3.42Å; P79-V184 WeakPolarHBondContact O-CG1 3.38Å; P79-V185 CarbonylContact C-O 3.41Å; P79-V185 HydrophobicContact CB-CG2 3.89Å; P79-V185 HydrophobicContact CG-CG2 3.38Å; P79-V185 PolarHBondContact O-N 3.5Å |
| 80 | W | 98.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -10.4 | 170 | 42.6 | 77.4 | 0 | 0 | 0 | 112.7 | T58 L65 F78 V82 S97 L98 V185 V187 V259 A266 | T58-W80 HydrophobicContact CG2-CZ3 4.34Å; L65-W80 HydrophobicContact CD2-CH2 3.63Å; L65-W80 HydrophobicContact CD2-CZ3 4.24Å; F78-W80 VanDerWaalsContact C-N 3.25Å; F78-W80 HydrophobicContact CB-CD2 4.09Å; F78-W80 HydrophobicContact CB-CH2 4.26Å; F78-W80 HydrophobicContact CB-CZ2 3.49Å; F78-W80 VanDerWaalsContact CB-CZ2 3.49Å; F78-W80 AromaticContact CD1-CH2 3.84Å; F78-W80 HydrophobicContact CD1-CH2 3.84Å; F78-W80 AromaticContact CD1-CZ2 3.49Å; F78-W80 HydrophobicContact CD1-CZ2 3.49Å; F78-W80 VanDerWaalsContact CD1-CZ2 3.49Å; F78-W80 AromaticContact CD2-CZ2 3.89Å; F78-W80 HydrophobicContact CD2-CZ2 3.89Å; F78-W80 HydrophobicContact CE1-CH2 4.42Å; F78-W80 HydrophobicContact CE1-CZ2 4.14Å; F78-W80 HydrophobicContact CE2-CZ2 4.47Å; F78-W80 AromaticContact CG-CE2 3.77Å; F78-W80 HydrophobicContact CG-CH2 4.14Å; F78-W80 AromaticContact CG-CZ2 3.36Å; F78-W80 HydrophobicContact CG-CZ2 3.36Å; F78-W80 AromaticContact CG-NE1 3.91Å; F78-W80 PolarHBondContact O-N 2.83Å; F78-W80 VanDerWaalsContact O-N 3.13Å; W80-V82 PolarHBondContact O-N 2.84Å; W80-S97 CarbonylContact O-C 3.55Å; W80-S97 WeakPolarHBondContact O-CA 3.32Å; W80-L98 HydrophobicContact CB-CB 4.38Å; W80-L98 WeakPolarHBondContact CB-O 3.33Å; W80-L98 PolarHBondContact O-N 3.11Å; W80-V185 WeakPolarHBondContact CA-O 3.46Å; W80-V185 WeakPolarHBondContact CB-O 3.45Å; W80-V185 HydrophobicContact CE3-CG2 4.37Å; W80-V185 PolarHBondContact N-O 3.15Å; W80-V187 HydrophobicContact CB-CB 4.05Å; W80-V187 HydrophobicContact CB-CG1 4.42Å; W80-V187 HydrophobicContact CD2-CB 3.62Å; W80-V187 HydrophobicContact CD2-CG2 4.02Å; W80-V187 HydrophobicContact CE3-CB 3.92Å; W80-V187 HydrophobicContact CE3-CG2 4.29Å; W80-V187 HydrophobicContact CG-CB 3.68Å; W80-V187 HydrophobicContact CG-CG1 4.27Å; W80-V187 HydrophobicContact CG-CG2 4.44Å; W80-V187 HydrophobicContact CZ2-CG2 4.38Å; W80-V259 HydrophobicContact CZ2-CG1 3.78Å; W80-V259 HydrophobicContact CZ2-CG2 4.48Å; W80-A266 HydrophobicContact CH2-CB 3.29Å; W80-A266 HydrophobicContact CZ2-CB 3.79Å; W80-A266 HydrophobicContact CZ3-CB 3.99Å |
| 81 | N | 98.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 134.4 | -174.6 | -67.8 | -19.4 | 0 | 0 | 0 | 111 | M77 F78 T205 I214 E216 | M77-N81 HydrophobicContact CE-CB 4.28Å; M77-N81 WeakPolarHBondContact CE-O 3.44Å; M77-N81 HydrophobicContact CG-CB 4.45Å; M77-N81 HydrophobicContact SD-CB 3.9Å; F78-N81 PolarHBondContact N-ND2 2.86Å; F78-N81 VanDerWaalsContact O-CB 3.29Å; F78-N81 WeakPolarHBondContact O-CB 3.37Å; F78-N81 PolarHBondContact O-N 3.14Å; F78-N81 PolarHBondContact O-ND2 2.94Å; N81-T205 HydrophobicContact CB-CG2 4.28Å; N81-T205 VanDerWaalsContact ND2-CG2 3.33Å; N81-T205 WeakPolarHBondContact ND2-CG2 3.04Å; N81-T205 PolarHBondContact ND2-OG1 3.36Å; N81-T205 PolarHBondContact OD1-OG1 3.08Å; N81-I214 HydrophobicContact CB-CD1 4.31Å; N81-E216 PolarHBondContact ND2-OE1 2.88Å |
| 82 | V | 98.4 | Very high | 92 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 146.7 | 174.1 | -49.5 | 0 | 0 | 0 | 0 | 111.7 | W80 I95 G96 V114 V131 Y132 A133 | W80-V82 PolarHBondContact O-N 2.84Å; V82-I95 CarbonylContact O-C 3.52Å; V82-I95 WeakPolarHBondContact O-CA 3.49Å; V82-G96 PolarHBondContact N-O 3.49Å; V82-G96 PolarHBondContact O-N 2.63Å; V82-V114 HydrophobicContact CG1-CG2 4.36Å; V82-V114 HydrophobicContact CG2-CG1 3.57Å; V82-V114 HydrophobicContact CG2-CG2 4.18Å; V82-V131 HydrophobicContact CB-CG1 3.68Å; V82-V131 HydrophobicContact CG1-CG1 4.08Å; V82-V131 HydrophobicContact CG2-CG1 3.89Å; V82-Y132 CarbonylContact C-O 3.54Å; V82-Y132 VanDerWaalsContact CA-O 3.28Å; V82-Y132 WeakPolarHBondContact CA-O 3.23Å; V82-Y132 WeakPolarHBondContact CB-O 3.29Å; V82-A133 HydrophobicContact CB-CB 4.49Å; V82-A133 HydrophobicContact CG1-CB 3.86Å |
| 83 | I | 98 | Very high | 92.9 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 125.1 | 175.3 | -58.6 | 178.7 | 0 | 0 | 0 | 108.6 | T85 T92 I95 V131 Y132 F138 Y207 I214 | I83-T85 HydrophobicContact CG2-CG2 3.59Å; I83-T92 HydrophobicContact CG2-CG2 3.48Å; I83-T92 VanDerWaalsContact CG2-CG2 3.48Å; I83-I95 HydrophobicContact CG1-CD1 4.46Å; I83-V131 WeakPolarHBondContact O-CA 3.27Å; I83-Y132 PolarHBondContact N-O 3.03Å; I83-Y132 PolarHBondContact O-N 3.02Å; I83-F138 HydrophobicContact CD1-CB 3.26Å; I83-F138 HydrophobicContact CD1-CD1 4.2Å; I83-F138 HydrophobicContact CD1-CD2 4.21Å; I83-F138 HydrophobicContact CD1-CG 3.63Å; I83-F138 HydrophobicContact CG2-CD1 4.19Å; I83-F138 HydrophobicContact CG2-CE1 4.44Å; I83-F138 HydrophobicContact CG2-CG 4.41Å; I83-Y207 HydrophobicContact CD1-CD2 4.25Å; I83-I214 HydrophobicContact CD1-CD1 3.58Å; I83-I214 HydrophobicContact CD1-CG1 3.99Å; I83-I214 HydrophobicContact CG1-CD1 3.36Å; I83-I214 HydrophobicContact CG1-CG1 4.13Å |
| 84 | I | 98 | Very high | 94 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 124.1 | 175.2 | -56.7 | 168.6 | 0 | 0 | 0 | 108.9 | K93 C94 T116 L129 R130 V131 L172 | I84-K93 PolarHBondContact O-N 2.85Å; I84-C94 HydrophobicContact CB-CB 4.21Å; I84-C94 HydrophobicContact CD1-CB 4.29Å; I84-C94 PolarHBondContact N-O 3.35Å; I84-C94 PolarHBondContact O-N 2.78Å; I84-T116 HydrophobicContact CD1-CG2 3.61Å; I84-T116 WeakPolarHBondContact CD1-OG1 3.49Å; I84-L129 HydrophobicContact CG2-CB 4.29Å; I84-L129 HydrophobicContact CG2-CD1 4Å; I84-R130 WeakPolarHBondContact CA-O 3.39Å; I84-V131 HydrophobicContact CG1-CG2 4.41Å; I84-L172 HydrophobicContact CD1-CD1 3.96Å |
| 85 | T | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 160.1 | -172 | 69.9 | 0 | 0 | 0 | 0 | 111.9 | I83 S91 L129 R130 Y132 F138 | I83-T85 HydrophobicContact CG2-CG2 3.59Å; T85-S91 CarbonylContact C-O 3.59Å; T85-S91 VanDerWaalsContact CA-O 3.25Å; T85-S91 WeakPolarHBondContact CA-O 3.4Å; T85-L129 CarbonylContact O-C 3.42Å; T85-L129 WeakPolarHBondContact O-CA 3.15Å; T85-L129 WeakPolarHBondContact O-CD2 3.28Å; T85-R130 PolarHBondContact N-O 3.32Å; T85-R130 PolarHBondContact O-N 2.8Å; T85-R130 PolarHBondContact OG1-O 2.57Å; T85-Y132 HydrophobicContact CG2-CD2 3.95Å; T85-Y132 HydrophobicContact CG2-CE2 4.19Å; T85-Y132 VanDerWaalsContact OG1-CE2 3.28Å; T85-Y132 WeakPolarHBondContact OG1-CE2 3.48Å; T85-F138 HydrophobicContact CG2-CE1 3.64Å; T85-F138 HydrophobicContact CG2-CE2 4.34Å; T85-F138 HydrophobicContact CG2-CZ 3.54Å |
| 86 | T | 95.7 | Very high | 95.7 | Very high | 22 Ų | 22 | 30.8 Ų | 30.8 | 14% | 0.135 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 138.3 | 166.1 | 59.2 | 0 | 0 | 0 | 0 | 111.4 | V88 G90 S91 K93 L129 | T86-V88 PolarHBondContact O-N 3.17Å; T86-G90 WeakPolarHBondContact O-CA 3.4Å; T86-G90 PolarHBondContact O-N 2.7Å; T86-G90 PolarHBondContact OG1-N 3.4Å; T86-S91 PolarHBondContact N-O 3.05Å; T86-S91 PolarHBondContact OG1-N 3.49Å; T86-S91 VanDerWaalsContact OG1-N 3.08Å; T86-K93 HydrophobicContact CG2-CD 4.37Å; T86-K93 HydrophobicContact CG2-CG 3.99Å; T86-L129 HydrophobicContact CG2-CD2 4.34Å |
| 87 | R | 93.3 | Very high | 96.1 | Very high | 133 Ų | 133 | 28.1 Ų | 28.1 | 50% | 0.502 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -45.3 | -177.1 | 177.4 | -174.1 | 178 | 158.5 | -1.9 | 113 | R128 R130 | R87-R128 WeakPolarHBondContact CB-O 3.49Å; R87-R128 PolarHBondContact N-O 3.13Å; R87-R130 HydrophobicContact CB-CG 4.36Å; R87-R130 VanDerWaalsContact CD-NH2 3.33Å; R87-R130 HydrophobicContact CG-CG 4.49Å; R87-R130 VanDerWaalsContact NE-NH2 3.18Å |
| 88 | V | 90.8 | Very high | 96.2 | Very high | 123 Ų | 123 | 27.6 Ų | 27.6 | 75% | 0.745 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -64.4 | -171.1 | -177.9 | 0 | 0 | 0 | 0 | 110.3 | T86 G90 R143 | T86-V88 PolarHBondContact O-N 3.17Å; V88-G90 VanDerWaalsContact C-N 3.27Å; V88-G90 PolarHBondContact O-N 3.12Å; V88-R143 PolarHBondContact O-NH2 3.45Å; V88-R143 VanDerWaalsContact O-NH2 3.07Å |
| 89 | R | 91.1 | Very high | 96.2 | Very high | 197 Ų | 197 | 27.6 Ų | 27.6 | 74% | 0.743 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -15 | -176.6 | -67.5 | -175 | 176.1 | 157.8 | 0.2 | 114 | S91 | R89-S91 WeakPolarHBondContact CB-OG 3.26Å; R89-S91 PolarHBondContact O-N 2.81Å; R89-S91 VanDerWaalsContact O-N 3.12Å |
| 90 | G | 92 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | 63.9 | 13.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T86 V88 T92 | T86-G90 WeakPolarHBondContact O-CA 3.4Å; T86-G90 PolarHBondContact O-N 2.7Å; T86-G90 PolarHBondContact OG1-N 3.4Å; V88-G90 VanDerWaalsContact C-N 3.27Å; V88-G90 PolarHBondContact O-N 3.12Å; G90-T92 PolarHBondContact O-N 3.46Å | ||
| 91 | S | 93 | Very high | 95.6 | Very high | 12 Ų | 12 | 33.2 Ų | 33.2 | 8% | 0.084 | 15% | 0.15 | C | C | . | . | trans | -67.4 | 124.4 | -178.9 | -48.7 | 0 | 0 | 0 | 0 | 110.4 | T85 T86 R89 K93 | T85-S91 CarbonylContact C-O 3.59Å; T85-S91 VanDerWaalsContact CA-O 3.25Å; T85-S91 WeakPolarHBondContact CA-O 3.4Å; T86-S91 PolarHBondContact N-O 3.05Å; T86-S91 PolarHBondContact OG1-N 3.49Å; T86-S91 VanDerWaalsContact OG1-N 3.08Å; R89-S91 WeakPolarHBondContact CB-OG 3.26Å; R89-S91 PolarHBondContact O-N 2.81Å; R89-S91 VanDerWaalsContact O-N 3.12Å; S91-K93 PolarHBondContact O-N 2.81Å | ||
| 92 | T | 95.9 | Very high | 95.1 | Very high | 5 Ų | 5 | 34.7 Ų | 34.7 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 131 | 170.3 | -49.8 | 0 | 0 | 0 | 0 | 110.7 | I83 G90 Y207 I252 | I83-T92 HydrophobicContact CG2-CG2 3.48Å; I83-T92 VanDerWaalsContact CG2-CG2 3.48Å; G90-T92 PolarHBondContact O-N 3.46Å; T92-Y207 HydrophobicContact CG2-CD1 3.96Å; T92-Y207 HydrophobicContact CG2-CE1 4.35Å; T92-Y207 HydrophobicContact CG2-CG 4.12Å; T92-I252 HydrophobicContact CG2-CD1 3.58Å; T92-I252 HydrophobicContact CG2-CG2 4.45Å |
| 93 | K | 95.5 | Very high | 94.7 | Very high | 78 Ų | 78 | 40.1 Ų | 40.1 | 34% | 0.339 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | -45.5 | 180 | -66.5 | -57.5 | -177.5 | -178.8 | 0 | 111.7 | I84 T86 S91 I252 | I84-K93 PolarHBondContact O-N 2.85Å; T86-K93 HydrophobicContact CG2-CD 4.37Å; T86-K93 HydrophobicContact CG2-CG 3.99Å; S91-K93 PolarHBondContact O-N 2.81Å; K93-I252 VanDerWaalsContact O-CG2 3.29Å; K93-I252 WeakPolarHBondContact O-CG2 3.45Å |
| 94 | C | 98 | Very high | 94.4 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 164.2 | -172.3 | -40.3 | 0 | 0 | 0 | 0 | 109.8 | I84 C120 L254 | I84-C94 HydrophobicContact CB-CB 4.21Å; I84-C94 HydrophobicContact CD1-CB 4.29Å; I84-C94 PolarHBondContact N-O 3.35Å; I84-C94 PolarHBondContact O-N 2.78Å; C94-C120 HydrophobicContact CB-CB 3.89Å; C94-C120 WeakPolarHBondContact CB-SG 3.39Å; C94-C120 WeakPolarHBondContact SG-CA 3.08Å; C94-C120 WeakPolarHBondContact SG-CB 3.49Å; C94-C120 CovalentContact SG-SG 2.02Å; C94-C120 PolarHBondContact SG-SG 3.16Å; C94-L254 VanDerWaalsContact CA-O 3.28Å; C94-L254 WeakPolarHBondContact CA-O 3.37Å; C94-L254 VanDerWaalsContact CB-O 3.23Å; C94-L254 WeakPolarHBondContact CB-O 3.28Å |
| 95 | I | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 163.2 | 164 | -53 | -57.2 | 0 | 0 | 0 | 107.9 | V82 I83 T116 T205 L254 G255 S256 | V82-I95 CarbonylContact O-C 3.52Å; V82-I95 WeakPolarHBondContact O-CA 3.49Å; I83-I95 HydrophobicContact CG1-CD1 4.46Å; I95-T116 WeakPolarHBondContact O-CB 3.19Å; I95-T116 PolarHBondContact O-OG1 3.15Å; I95-T205 HydrophobicContact CG2-CG2 3.87Å; I95-L254 PolarHBondContact N-O 3.48Å; I95-G255 CarbonylContact O-C 3.53Å; I95-G255 VanDerWaalsContact O-C 3.24Å; I95-G255 WeakPolarHBondContact O-CA 3.25Å; I95-G255 VanDerWaalsContact O-O 3.12Å; I95-S256 VanDerWaalsContact CB-OG 3.27Å; I95-S256 WeakPolarHBondContact CB-OG 3.44Å; I95-S256 WeakPolarHBondContact CG1-OG 3.28Å |
| 96 | G | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | -175.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | V82 L115 | V82-G96 PolarHBondContact N-O 3.49Å; V82-G96 PolarHBondContact O-N 2.63Å; G96-L115 CarbonylContact C-O 3.42Å; G96-L115 WeakPolarHBondContact CA-O 3.5Å |
| 97 | S | 98.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 138.2 | 177.7 | 49.3 | 0 | 0 | 0 | 0 | 111.3 | W80 V114 L115 Q268 | W80-S97 CarbonylContact O-C 3.55Å; W80-S97 WeakPolarHBondContact O-CA 3.32Å; S97-V114 CarbonylContact O-C 3.53Å; S97-V114 WeakPolarHBondContact O-CA 3.46Å; S97-L115 PolarHBondContact N-O 2.75Å; S97-L115 PolarHBondContact O-N 3.21Å; S97-Q268 PolarHBondContact OG-NE2 2.91Å; S97-Q268 VanDerWaalsContact OG-NE2 3.15Å; S97-Q268 PolarHBondContact OG-OE1 3.32Å |
| 98 | L | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 125 | 164.2 | -167.5 | 71.9 | 0 | 0 | 0 | 108.8 | W80 V113 V114 L174 L178 V184 P186 V187 | W80-L98 HydrophobicContact CB-CB 4.38Å; W80-L98 WeakPolarHBondContact CB-O 3.33Å; W80-L98 PolarHBondContact O-N 3.11Å; L98-V113 WeakPolarHBondContact CA-O 3.41Å; L98-V114 HydrophobicContact CD1-CG2 4.07Å; L98-L174 HydrophobicContact CD1-CD1 4.31Å; L98-L178 HydrophobicContact CD1-CD1 4.34Å; L98-L178 HydrophobicContact CD2-CB 4.12Å; L98-V184 HydrophobicContact CD2-CB 4.15Å; L98-V184 HydrophobicContact CD2-CG2 3.76Å; L98-P186 HydrophobicContact CG-CB 4.36Å; L98-P186 CarbonylContact O-C 3.14Å; L98-P186 VanDerWaalsContact O-CA 3.26Å; L98-P186 WeakPolarHBondContact O-CA 3.46Å; L98-V187 PolarHBondContact O-N 2.89Å |
| 99 | V | 96.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | B | Isolated β-bridge | trans | -120.2 | 151.2 | -172.8 | -65.3 | 0 | 0 | 0 | 0 | 112.8 | S111 V113 L115 V187 L189 Q268 | V99-S111 WeakPolarHBondContact O-CB 3.12Å; V99-S111 PolarHBondContact O-OG 3.18Å; V99-V113 HydrophobicContact CG2-CB 3.94Å; V99-V113 HydrophobicContact CG2-CG1 3.59Å; V99-V113 PolarHBondContact N-O 2.83Å; V99-L115 HydrophobicContact CB-CD1 4.37Å; V99-L115 HydrophobicContact CB-CG 4.44Å; V99-L115 HydrophobicContact CG1-CB 4.4Å; V99-L115 HydrophobicContact CG1-CD1 3.68Å; V99-L115 HydrophobicContact CG1-CG 3.82Å; V99-L115 HydrophobicContact CG2-CD1 4.04Å; V99-L115 HydrophobicContact CG2-CD2 4.41Å; V99-L115 HydrophobicContact CG2-CG 3.78Å; V99-V187 HydrophobicContact CG1-CG1 3.81Å; V99-L189 HydrophobicContact CB-CD2 4.04Å; V99-L189 HydrophobicContact CB-CG 4.39Å; V99-L189 HydrophobicContact CG1-CD2 3.84Å; V99-Q268 VanDerWaalsContact CG1-OE1 3.29Å |
| 100 | H | 93.9 | Very high | 94 | Very high | 15 Ų | 15 | 45 Ų | 45 | 7% | 0.069 | 23% | 0.228 | C | C | . | . | trans | -95.9 | 129.6 | 168.2 | -178 | 56.2 | 0 | 0 | 0 | 109.2 | C55 G102 H103 V108 P186 V187 | C55-H100 HydrophobicContact CB-CB 3.5Å; H100-G102 VanDerWaalsContact CD2-C 3.45Å; H100-G102 PolarHBondContact CD2-N 2.89Å; H100-G102 PolarHBondContact CD2-O 3.29Å; H100-G102 VanDerWaalsContact CD2-O 3.27Å; H100-G102 VanDerWaalsContact NE2-C 3.28Å; H100-G102 WeakPolarHBondContact NE2-CA 3.35Å; H100-G102 PolarHBondContact NE2-N 2.67Å; H100-H103 PolarHBondContact NE2-O 3.44Å; H100-V108 HydrophobicContact CB-CG1 4.35Å; H100-V108 WeakPolarHBondContact ND1-CG2 3.12Å; H100-P186 HydrophobicContact CB-CB 4.01Å; H100-P186 HydrophobicContact CB-CG 4.03Å; H100-V187 PolarHBondContact N-O 2.88Å | ||
| 101 | K | 88.3 | Confident | 94.3 | Very high | 108 Ų | 108 | 45.6 Ų | 45.6 | 47% | 0.47 | 23% | 0.232 | S | C | . | . | trans | -83.9 | -21.7 | 178.9 | -65.9 | -176.9 | -70.4 | 173.3 | 0 | 113.3 | V113 V298 | K101-V113 HydrophobicContact CD-CG2 3.93Å; K101-V113 HydrophobicContact CG-CG2 4.26Å; K101-V298 WeakPolarHBondContact O-CG1 3.37Å; K101-V298 WeakPolarHBondContact O-CG2 3.12Å | ||
| 102 | G | 88.2 | Confident | 94.4 | Very high | 30 Ų | 30 | 46.7 Ų | 46.7 | 31% | 0.309 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -88 | -169.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | H100 | H100-G102 VanDerWaalsContact CD2-C 3.45Å; H100-G102 PolarHBondContact CD2-N 2.89Å; H100-G102 PolarHBondContact CD2-O 3.29Å; H100-G102 VanDerWaalsContact CD2-O 3.27Å; H100-G102 VanDerWaalsContact NE2-C 3.28Å; H100-G102 WeakPolarHBondContact NE2-CA 3.35Å; H100-G102 PolarHBondContact NE2-N 2.67Å |
| 103 | H | 90.2 | Very high | 94.5 | Very high | 114 Ų | 114 | 46.8 Ų | 46.8 | 53% | 0.528 | 24% | 0.237 | S | C | . | . | trans | -73.5 | 149.7 | 177.8 | -171.5 | -100 | 0 | 0 | 0 | 111.2 | H100 R105 Q106 | H100-H103 PolarHBondContact NE2-O 3.44Å; H103-R105 WeakPolarHBondContact ND1-CB 3.41Å; H103-R105 PolarHBondContact ND1-N 3.39Å; H103-R105 VanDerWaalsContact ND1-N 3.19Å; H103-R105 PolarHBondContact O-N 2.83Å; H103-R105 VanDerWaalsContact O-N 3.11Å; H103-Q106 VanDerWaalsContact O-CB 3.22Å; H103-Q106 WeakPolarHBondContact O-CB 3.14Å; H103-Q106 PolarHBondContact O-N 3.26Å | ||
| 104 | E | 90.9 | Very high | 94.6 | Very high | 57 Ų | 57 | 43.1 Ų | 43.1 | 27% | 0.266 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -25.7 | -177.2 | 72.7 | -171.1 | -158.6 | 0 | 0 | 114.4 | Q106 R265 Y267 | E104-Q106 VanDerWaalsContact C-N 3.28Å; E104-R265 VanDerWaalsContact C-NH1 3.27Å; E104-R265 VanDerWaalsContact CB-NH1 3.33Å; E104-R265 PolarHBondContact O-NH1 2.82Å; E104-Y267 VanDerWaalsContact CD-OH 3.3Å; E104-Y267 WeakPolarHBondContact OE2-CE1 3.43Å; E104-Y267 VanDerWaalsContact OE2-CZ 3.26Å; E104-Y267 PolarHBondContact OE2-OH 3.2Å |
| 105 | R | 91.8 | Very high | 94.6 | Very high | 197 Ų | 197 | 43.1 Ų | 43.1 | 74% | 0.743 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -5.4 | 176.3 | -61.6 | 178.3 | -174.8 | -178 | -1.6 | 113.4 | Y54 H103 | Y54-R105 WeakPolarHBondContact CE1-O 3.17Å; H103-R105 WeakPolarHBondContact ND1-CB 3.41Å; H103-R105 PolarHBondContact ND1-N 3.39Å; H103-R105 VanDerWaalsContact ND1-N 3.19Å; H103-R105 PolarHBondContact O-N 2.83Å; H103-R105 VanDerWaalsContact O-N 3.11Å |
| 106 | Q | 93.8 | Very high | 94.5 | Very high | 107 Ų | 107 | 43.1 Ų | 43.1 | 50% | 0.5 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -82.1 | 127.4 | 178.4 | -172.4 | 177.5 | -4.1 | 0 | 0 | 110 | H103 E104 V108 | H103-Q106 VanDerWaalsContact O-CB 3.22Å; H103-Q106 WeakPolarHBondContact O-CB 3.14Å; H103-Q106 PolarHBondContact O-N 3.26Å; E104-Q106 VanDerWaalsContact C-N 3.28Å; Q106-V108 PolarHBondContact O-N 3.35Å |
| 107 | A | 94.3 | Very high | 94.4 | Very high | 61 Ų | 61 | 43.1 Ų | 43.1 | 50% | 0.504 | 22% | 0.221 | S | C | . | . | trans | -65.2 | 128.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110 | A52 V53 Y54 | A52-A107 HydrophobicContact CB-CB 4.47Å; V53-A107 CarbonylContact O-C 3.55Å; V53-A107 WeakPolarHBondContact O-CA 3.39Å; Y54-A107 HydrophobicContact CE1-CB 4.26Å | ||
| 108 | V | 92.7 | Very high | 94.1 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | trans | -139.9 | 101.9 | -176.4 | 55.6 | 0 | 0 | 0 | 0 | 110.2 | V53 C55 H100 Q106 S110 P186 | V53-V108 VanDerWaalsContact CB-O 3.26Å; V53-V108 WeakPolarHBondContact CB-O 3.46Å; V53-V108 WeakPolarHBondContact CG1-O 3.49Å; V53-V108 PolarHBondContact O-N 2.9Å; C55-V108 HydrophobicContact CB-CG1 4.32Å; H100-V108 HydrophobicContact CB-CG1 4.35Å; H100-V108 WeakPolarHBondContact ND1-CG2 3.12Å; Q106-V108 PolarHBondContact O-N 3.35Å; V108-S110 VanDerWaalsContact C-N 3.34Å; V108-S110 WeakPolarHBondContact CG2-O 3.26Å; V108-P186 HydrophobicContact CG1-CG 3.86Å; V108-P186 HydrophobicContact CG2-CG 4Å | ||
| 109 | N | 92.1 | Very high | 93.9 | Very high | 107 Ų | 107 | 48 Ų | 48 | 57% | 0.572 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -86.7 | -4.9 | 178.9 | 65.6 | 2.2 | 0 | 0 | 0 | 114.1 | R180 | N109-R180 PolarHBondContact O-N 2.65Š|
| 110 | S | 94.5 | Very high | 93.8 | Very high | 40 Ų | 40 | 48.2 Ų | 48.2 | 28% | 0.28 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 151.4 | -172.9 | 62.2 | 0 | 0 | 0 | 0 | 112.2 | V108 L178 | V108-S110 VanDerWaalsContact C-N 3.34Å; V108-S110 WeakPolarHBondContact CG2-O 3.26Å; S110-L178 VanDerWaalsContact CA-O 3.26Å; S110-L178 WeakPolarHBondContact CA-O 3.34Å |
| 111 | S | 96.7 | Very high | 93.8 | Very high | 12 Ų | 12 | 47.7 Ų | 47.7 | 8% | 0.084 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 149.6 | 169.1 | 175 | 0 | 0 | 0 | 0 | 110.2 | V99 V113 P177 L178 | V99-S111 WeakPolarHBondContact O-CB 3.12Å; V99-S111 PolarHBondContact O-OG 3.18Å; S111-V113 PolarHBondContact OG-N 2.99Å; S111-P177 WeakPolarHBondContact O-CA 3.19Å; S111-L178 PolarHBondContact N-O 2.93Å; S111-L178 PolarHBondContact O-N 3.28Å |
| 112 | D | 96.9 | Very high | 93.5 | Very high | 35 Ų | 35 | 43.5 Ų | 43.5 | 19% | 0.187 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 14.7 | 174.2 | 56.3 | 25 | 0 | 0 | 0 | 112.1 | K173 L174 P177 | D112-K173 HydrophobicContact CB-CD 4.47Å; D112-K173 CarbonylContact O-C 3.59Å; D112-K173 WeakPolarHBondContact O-CA 3.03Å; D112-K173 WeakPolarHBondContact OD1-CE 3.44Å; D112-K173 IonicContact OD1-NZ 2.64Å; D112-K173 PolarHBondContact OD1-NZ 2.89Å; D112-K173 WeakPolarHBondContact OD2-CE 3.47Å; D112-K173 IonicContact OD2-NZ 3.34Å; D112-K173 PolarHBondContact OD2-NZ 2.93Å; D112-L174 HydrophobicContact CB-CB 4.08Å; D112-L174 WeakPolarHBondContact O-CG 3.26Å; D112-L174 PolarHBondContact O-N 2.92Å; D112-P177 HydrophobicContact CB-CB 4.16Å |
| 113 | V | 97 | Very high | 93.1 | Very high | 8 Ų | 8 | 49.8 Ų | 49.8 | 5% | 0.048 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 120.7 | -177.5 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | L98 V99 K101 S111 I171 L172 | L98-V113 WeakPolarHBondContact CA-O 3.41Å; V99-V113 HydrophobicContact CG2-CB 3.94Å; V99-V113 HydrophobicContact CG2-CG1 3.59Å; V99-V113 PolarHBondContact N-O 2.83Å; K101-V113 HydrophobicContact CD-CG2 3.93Å; K101-V113 HydrophobicContact CG-CG2 4.26Å; S111-V113 PolarHBondContact OG-N 2.99Å; V113-I171 HydrophobicContact CG1-CG2 3.75Å; V113-L172 WeakPolarHBondContact CA-O 3.32Å |
| 114 | V | 97.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 136.4 | 175.7 | 168.7 | 0 | 0 | 0 | 0 | 110.4 | V82 S97 L98 L172 L174 | V82-V114 HydrophobicContact CG1-CG2 4.36Å; V82-V114 HydrophobicContact CG2-CG1 3.57Å; V82-V114 HydrophobicContact CG2-CG2 4.18Å; S97-V114 CarbonylContact O-C 3.53Å; S97-V114 WeakPolarHBondContact O-CA 3.46Å; L98-V114 HydrophobicContact CD1-CG2 4.07Å; V114-L172 HydrophobicContact CB-CB 4.1Å; V114-L172 HydrophobicContact CB-CD1 4.21Å; V114-L172 HydrophobicContact CB-CG 4.17Å; V114-L172 HydrophobicContact CG1-CD1 3.94Å; V114-L172 HydrophobicContact CG1-CG 4.2Å; V114-L172 PolarHBondContact N-O 3.41Å; V114-L172 PolarHBondContact O-N 3.27Å; V114-L174 HydrophobicContact CG2-CD1 4Å; V114-L174 HydrophobicContact CG2-CD2 4.09Å; V114-L174 HydrophobicContact CG2-CG 4.14Å |
| 115 | L | 97.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 139.1 | 169.6 | -58.7 | -174 | 0 | 0 | 0 | 111 | G96 S97 V99 I171 L189 V271 I294 I296 | G96-L115 CarbonylContact C-O 3.42Å; G96-L115 WeakPolarHBondContact CA-O 3.5Å; S97-L115 PolarHBondContact N-O 2.75Å; S97-L115 PolarHBondContact O-N 3.21Å; V99-L115 HydrophobicContact CB-CD1 4.37Å; V99-L115 HydrophobicContact CB-CG 4.44Å; V99-L115 HydrophobicContact CG1-CB 4.4Å; V99-L115 HydrophobicContact CG1-CD1 3.68Å; V99-L115 HydrophobicContact CG1-CG 3.82Å; V99-L115 HydrophobicContact CG2-CD1 4.04Å; V99-L115 HydrophobicContact CG2-CD2 4.41Å; V99-L115 HydrophobicContact CG2-CG 3.78Å; L115-I171 HydrophobicContact CD2-CB 4.15Å; L115-I171 HydrophobicContact CD2-CD1 4.39Å; L115-I171 HydrophobicContact CD2-CG1 3.65Å; L115-I171 HydrophobicContact CD2-CG2 4.05Å; L115-L189 HydrophobicContact CD1-CD2 3.75Å; L115-V271 HydrophobicContact CB-CG2 4.37Å; L115-I294 HydrophobicContact CD1-CB 4.32Å; L115-I294 HydrophobicContact CD1-CD1 3.15Å; L115-I294 HydrophobicContact CD1-CG1 3.7Å; L115-I294 HydrophobicContact CD1-CG2 3.82Å; L115-I294 HydrophobicContact CG-CD1 4.43Å; L115-I296 HydrophobicContact CD1-CD1 4.25Å; L115-I296 HydrophobicContact CD2-CD1 4.08Å |
| 116 | T | 97.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | -173.2 | 178.8 | -170.5 | 0 | 0 | 0 | 0 | 109.8 | I84 I95 F121 V169 A170 L172 | I84-T116 HydrophobicContact CD1-CG2 3.61Å; I84-T116 WeakPolarHBondContact CD1-OG1 3.49Å; I95-T116 WeakPolarHBondContact O-CB 3.19Å; I95-T116 PolarHBondContact O-OG1 3.15Å; T116-F121 HydrophobicContact CG2-CE2 4.27Å; T116-V169 CarbonylContact O-C 3.48Å; T116-V169 WeakPolarHBondContact O-CA 3.04Å; T116-A170 HydrophobicContact CG2-CB 3.88Å; T116-A170 PolarHBondContact N-O 2.67Å; T116-A170 VanDerWaalsContact N-O 3.08Å; T116-A170 PolarHBondContact O-N 3.39Å; T116-L172 HydrophobicContact CG2-CD1 4.16Å; T116-L172 HydrophobicContact CG2-CD2 4.12Å; T116-L172 HydrophobicContact CG2-CG 4.21Å |
| 117 | A | 95.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 142.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E119 C120 L254 L273 | A117-E119 PolarHBondContact O-N 3.16Å; A117-C120 WeakPolarHBondContact O-CB 3.06Å; A117-C120 PolarHBondContact O-N 3.28Å; A117-C120 VanDerWaalsContact O-N 3.08Å; A117-L254 HydrophobicContact CB-CD1 3.46Å; A117-L254 VanDerWaalsContact CB-CD1 3.46Å; A117-L254 HydrophobicContact CB-CG 3.76Å; A117-L273 HydrophobicContact CB-CD2 3.75Å |
| 118 | A | 93 | Very high | 92.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -62.2 | -32.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | C120 F121 L155 A167 G168 A170 | A118-C120 PolarHBondContact O-N 2.95Å; A118-C120 VanDerWaalsContact O-N 3.09Å; A118-F121 PolarHBondContact O-N 2.71Å; A118-F121 VanDerWaalsContact O-N 3.17Å; A118-L155 HydrophobicContact CB-CD2 4.05Å; A118-A167 HydrophobicContact CB-CB 3.98Å; A118-G168 WeakPolarHBondContact CB-O 3.4Å; A118-G168 PolarHBondContact N-O 2.93Å; A118-A170 HydrophobicContact CB-CB 4.49Å |
| 119 | E | 93.5 | Very high | 93 | Very high | 103 Ų | 103 | 48.3 Ų | 48.3 | 48% | 0.481 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -61.7 | -19.7 | 176.5 | -164.7 | 176.8 | 144.5 | 0 | 0 | 112.5 | A117 F121 G122 A167 L254 | A117-E119 PolarHBondContact O-N 3.16Å; E119-F121 PolarHBondContact O-N 3.34Å; E119-F121 VanDerWaalsContact O-N 3.08Å; E119-G122 PolarHBondContact O-N 3.36Å; E119-G122 VanDerWaalsContact O-N 3.07Å; E119-A167 HydrophobicContact CB-CB 3.86Å; E119-L254 HydrophobicContact CB-CD1 4.47Å; E119-L254 HydrophobicContact CB-CD2 4.07Å; E119-L254 HydrophobicContact CG-CD2 4.31Å |
| 120 | C | 95.3 | Very high | 93.3 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.02 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -55 | -32.3 | 175.6 | -162.1 | 0 | 0 | 0 | 0 | 113.7 | C94 A117 A118 | C94-C120 HydrophobicContact CB-CB 3.89Å; C94-C120 WeakPolarHBondContact CB-SG 3.39Å; C94-C120 WeakPolarHBondContact SG-CA 3.08Å; C94-C120 WeakPolarHBondContact SG-CB 3.49Å; C94-C120 CovalentContact SG-SG 2.02Å; C94-C120 PolarHBondContact SG-SG 3.16Å; A117-C120 WeakPolarHBondContact O-CB 3.06Å; A117-C120 PolarHBondContact O-N 3.28Å; A117-C120 VanDerWaalsContact O-N 3.08Å; A118-C120 PolarHBondContact O-N 2.95Å; A118-C120 VanDerWaalsContact O-N 3.09Å |
| 121 | F | 92.4 | Very high | 93.4 | Very high | 5 Ų | 5 | 42 Ų | 42 | 2% | 0.022 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -38.9 | 179.6 | -65.8 | -92.3 | 0 | 0 | 0 | 110.7 | T116 A118 E119 R123 R124 H126 L129 I150 V153 L155 A170 L172 | T116-F121 HydrophobicContact CG2-CE2 4.27Å; A118-F121 PolarHBondContact O-N 2.71Å; A118-F121 VanDerWaalsContact O-N 3.17Å; E119-F121 PolarHBondContact O-N 3.34Å; E119-F121 VanDerWaalsContact O-N 3.08Å; F121-R123 PolarHBondContact O-N 3.44Å; F121-R124 WeakPolarHBondContact O-CA 3.42Å; F121-R124 WeakPolarHBondContact O-CB 3.21Å; F121-R124 WeakPolarHBondContact O-CG 3.15Å; F121-R124 PolarHBondContact O-N 2.69Å; F121-H126 HydrophobicContact CD1-CB 4.21Å; F121-H126 HydrophobicContact CE1-CB 3.74Å; F121-L129 HydrophobicContact CD1-CD1 3.67Å; F121-L129 HydrophobicContact CE1-CD1 3.55Å; F121-L129 HydrophobicContact CG-CD1 4.31Å; F121-L129 HydrophobicContact CZ-CD1 4.07Å; F121-I150 HydrophobicContact CE1-CD1 4.31Å; F121-I150 HydrophobicContact CZ-CD1 4.32Å; F121-V153 HydrophobicContact CD1-CG1 4.5Å; F121-V153 HydrophobicContact CD1-CG2 4.45Å; F121-V153 HydrophobicContact CD2-CG1 4.29Å; F121-V153 HydrophobicContact CE1-CB 4.47Å; F121-V153 HydrophobicContact CE1-CG1 4.15Å; F121-V153 HydrophobicContact CE1-CG2 3.65Å; F121-V153 HydrophobicContact CE2-CG1 3.96Å; F121-V153 HydrophobicContact CZ-CG1 3.9Å; F121-V153 HydrophobicContact CZ-CG2 3.81Å; F121-L155 HydrophobicContact CD2-CD2 3.83Å; F121-L155 HydrophobicContact CE2-CD2 4.44Å; F121-L155 HydrophobicContact CG-CD2 4.29Å; F121-A170 HydrophobicContact CD2-CB 4.33Å; F121-A170 HydrophobicContact CE2-CB 3.98Å; F121-L172 HydrophobicContact CE1-CD2 4.46Å; F121-L172 HydrophobicContact CE2-CD2 3.52Å; F121-L172 HydrophobicContact CZ-CD1 4.09Å; F121-L172 HydrophobicContact CZ-CD2 3.3Å; F121-L172 HydrophobicContact CZ-CG 4.36Å |
| 122 | G | 83.3 | Confident | 93.5 | Very high | 19 Ų | 19 | 41.7 Ų | 41.7 | 20% | 0.196 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.5 | -127.7 | -168.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | E119 R124 M317 | E119-G122 PolarHBondContact O-N 3.36Å; E119-G122 VanDerWaalsContact O-N 3.07Å; G122-R124 VanDerWaalsContact C-N 3.3Å; G122-R124 PolarHBondContact O-N 3.34Å; G122-M317 WeakPolarHBondContact O-CE 3.28Å |
| 123 | R | 79.8 | Confident | 93.6 | Very high | 162 Ų | 162 | 40.2 Ų | 40.2 | 61% | 0.611 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | 7.7 | 175.1 | -58.2 | -177.2 | -179 | 177.9 | -1.4 | 114.9 | F121 N318 | F121-R123 PolarHBondContact O-N 3.44Å; R123-N318 PolarHBondContact NH2-O 3.45Å |
| 124 | R | 84.9 | Confident | 93.5 | Very high | 110 Ų | 110 | 40.6 Ų | 40.6 | 42% | 0.415 | 18% | 0.184 | S | C | . | . | trans | -91 | 138 | -171.6 | -56.4 | 176.4 | -177.1 | 78.3 | 7.1 | 111.6 | F121 G122 | F121-R124 WeakPolarHBondContact O-CA 3.42Å; F121-R124 WeakPolarHBondContact O-CB 3.21Å; F121-R124 WeakPolarHBondContact O-CG 3.15Å; F121-R124 PolarHBondContact O-N 2.69Å; G122-R124 VanDerWaalsContact C-N 3.3Å; G122-R124 PolarHBondContact O-N 3.34Å | ||
| 125 | K | 89.6 | Confident | 93.4 | Very high | 145 Ų | 145 | 41.7 Ų | 41.7 | 63% | 0.63 | 19% | 0.192 | S | C | * | . | trans | -65.1 | 139.8 | 165.6 | -62.9 | -175.1 | 179.8 | -177.4 | 0 | 110 | S127 R128 | K125-S127 PolarHBondContact O-N 3.15Å; K125-S127 VanDerWaalsContact O-N 3.11Å; K125-R128 WeakPolarHBondContact O-CB 3.36Å; K125-R128 PolarHBondContact O-N 2.78Å | ||
| 126 | H | 90.4 | Very high | 93.2 | Very high | 46 Ų | 46 | 42.7 Ų | 42.7 | 21% | 0.213 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -56.7 | -27.9 | 177.6 | 62.3 | -97.6 | 0 | 0 | 0 | 113.1 | F121 R128 L129 I150 V153 | F121-H126 HydrophobicContact CD1-CB 4.21Å; F121-H126 HydrophobicContact CE1-CB 3.74Å; H126-R128 PolarHBondContact O-N 2.82Å; H126-R128 VanDerWaalsContact O-N 3.14Å; H126-L129 PolarHBondContact O-N 2.64Å; H126-I150 HydrophobicContact CB-CB 4.4Å; H126-I150 HydrophobicContact CB-CG2 4.08Å; H126-V153 HydrophobicContact CB-CG2 3.46Å; H126-V153 VanDerWaalsContact CB-CG2 3.46Å |
| 127 | S | 93.1 | Very high | 93 | Very high | 55 Ų | 55 | 49.4 Ų | 49.4 | 39% | 0.385 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -61.1 | -20.9 | 175.3 | 63.3 | 0 | 0 | 0 | 0 | 113.9 | K125 L129 R130 | K125-S127 PolarHBondContact O-N 3.15Å; K125-S127 VanDerWaalsContact O-N 3.11Å; S127-L129 VanDerWaalsContact C-N 3.34Å; S127-R130 PolarHBondContact O-NH1 3.45Å |
| 128 | R | 95.5 | Very high | 93 | Very high | 163 Ų | 163 | 49.5 Ų | 49.5 | 62% | 0.615 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -86.2 | 0.6 | 174 | -62.6 | -173.9 | 174.4 | 175.9 | -1.5 | 113.4 | R87 K125 H126 | R87-R128 WeakPolarHBondContact CB-O 3.49Å; R87-R128 PolarHBondContact N-O 3.13Å; K125-R128 WeakPolarHBondContact O-CB 3.36Å; K125-R128 PolarHBondContact O-N 2.78Å; H126-R128 PolarHBondContact O-N 2.82Å; H126-R128 VanDerWaalsContact O-N 3.14Å |
| 129 | L | 97.4 | Very high | 93 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 158.3 | 177.6 | -59.7 | -177.8 | 0 | 0 | 0 | 112.2 | I84 T85 T86 F121 H126 S127 I150 | I84-L129 HydrophobicContact CG2-CB 4.29Å; I84-L129 HydrophobicContact CG2-CD1 4Å; T85-L129 CarbonylContact O-C 3.42Å; T85-L129 WeakPolarHBondContact O-CA 3.15Å; T85-L129 WeakPolarHBondContact O-CD2 3.28Å; T86-L129 HydrophobicContact CG2-CD2 4.34Å; F121-L129 HydrophobicContact CD1-CD1 3.67Å; F121-L129 HydrophobicContact CE1-CD1 3.55Å; F121-L129 HydrophobicContact CG-CD1 4.31Å; F121-L129 HydrophobicContact CZ-CD1 4.07Å; H126-L129 PolarHBondContact O-N 2.64Å; S127-L129 VanDerWaalsContact C-N 3.34Å; L129-I150 HydrophobicContact CB-CD1 3.92Å |
| 130 | R | 97.4 | Very high | 92.8 | Very high | 12 Ų | 12 | 52 Ų | 52 | 5% | 0.045 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 146.7 | 174.8 | -68.1 | -63.9 | -179.4 | -86.1 | 4.9 | 110 | I84 T85 R87 S127 Y132 | I84-R130 WeakPolarHBondContact CA-O 3.39Å; T85-R130 PolarHBondContact N-O 3.32Å; T85-R130 PolarHBondContact O-N 2.8Å; T85-R130 PolarHBondContact OG1-O 2.57Å; R87-R130 HydrophobicContact CB-CG 4.36Å; R87-R130 VanDerWaalsContact CD-NH2 3.33Å; R87-R130 HydrophobicContact CG-CG 4.49Å; R87-R130 VanDerWaalsContact NE-NH2 3.18Å; S127-R130 PolarHBondContact O-NH1 3.45Å; R130-Y132 HydrophobicContact CB-CD2 4.44Å; R130-Y132 HydrophobicContact CB-CE2 3.8Å |
| 131 | V | 98.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 133.1 | 175.5 | -178.3 | 0 | 0 | 0 | 0 | 108.3 | V82 I83 I84 K147 V148 I150 L172 L174 | V82-V131 HydrophobicContact CB-CG1 3.68Å; V82-V131 HydrophobicContact CG1-CG1 4.08Å; V82-V131 HydrophobicContact CG2-CG1 3.89Å; I83-V131 WeakPolarHBondContact O-CA 3.27Å; I84-V131 HydrophobicContact CG1-CG2 4.41Å; V131-K147 WeakPolarHBondContact O-CA 2.82Å; V131-V148 PolarHBondContact N-O 3.38Å; V131-V148 VanDerWaalsContact N-O 3.08Å; V131-V148 PolarHBondContact O-N 3.07Å; V131-I150 HydrophobicContact CG2-CD1 4.11Å; V131-I150 HydrophobicContact CG2-CG1 3.83Å; V131-L172 HydrophobicContact CG2-CD1 4.38Å; V131-L174 HydrophobicContact CB-CD2 4.1Å; V131-L174 HydrophobicContact CG1-CD2 4.33Å; V131-L174 HydrophobicContact CG2-CD2 3.78Å |
| 132 | Y | 98 | Very high | 92.3 | Very high | 7 Ų | 7 | 67.9 Ų | 67.9 | 3% | 0.027 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 140.7 | 171.8 | -67.5 | -97.3 | 0 | 0 | 0 | 109.2 | V82 I83 T85 R130 F138 R143 A146 K147 | V82-Y132 CarbonylContact C-O 3.54Å; V82-Y132 VanDerWaalsContact CA-O 3.28Å; V82-Y132 WeakPolarHBondContact CA-O 3.23Å; V82-Y132 WeakPolarHBondContact CB-O 3.29Å; I83-Y132 PolarHBondContact N-O 3.03Å; I83-Y132 PolarHBondContact O-N 3.02Å; T85-Y132 HydrophobicContact CG2-CD2 3.95Å; T85-Y132 HydrophobicContact CG2-CE2 4.19Å; T85-Y132 VanDerWaalsContact OG1-CE2 3.28Å; T85-Y132 WeakPolarHBondContact OG1-CE2 3.48Å; R130-Y132 HydrophobicContact CB-CD2 4.44Å; R130-Y132 HydrophobicContact CB-CE2 3.8Å; Y132-F138 HydrophobicContact CD1-CD2 4.32Å; Y132-F138 AromaticContact CD1-CE2 3.67Å; Y132-F138 HydrophobicContact CD1-CE2 3.67Å; Y132-F138 AromaticContact CD2-CE2 3.58Å; Y132-F138 HydrophobicContact CD2-CE2 3.58Å; Y132-F138 AromaticContact CD2-CZ 4Å; Y132-F138 HydrophobicContact CD2-CZ 4Å; Y132-F138 AromaticContact CE1-CE2 3.98Å; Y132-F138 HydrophobicContact CE1-CE2 3.98Å; Y132-F138 AromaticContact CE2-CE2 3.89Å; Y132-F138 HydrophobicContact CE2-CE2 3.89Å; Y132-F138 HydrophobicContact CE2-CZ 4.05Å; Y132-F138 HydrophobicContact CG-CD2 4.08Å; Y132-F138 AromaticContact CG-CE2 3.47Å; Y132-F138 HydrophobicContact CG-CE2 3.47Å; Y132-F138 VanDerWaalsContact CG-CE2 3.47Å; Y132-F138 HydrophobicContact CG-CZ 4.34Å; Y132-R143 HydrophobicContact CD1-CB 4.45Å; Y132-R143 HydrophobicContact CE1-CB 3.71Å; Y132-R143 WeakPolarHBondContact OH-CD 3.26Å; Y132-A146 VanDerWaalsContact CA-O 3.32Å; Y132-A146 WeakPolarHBondContact CA-O 3.36Å; Y132-K147 HydrophobicContact CD1-CB 3.93Å; Y132-K147 HydrophobicContact CD1-CG 4.31Å; Y132-K147 HydrophobicContact CE1-CB 3.57Å; Y132-K147 HydrophobicContact CE1-CD 3.9Å; Y132-K147 HydrophobicContact CE1-CG 3.64Å; Y132-K147 HydrophobicContact CE2-CG 4.38Å; Y132-K147 WeakPolarHBondContact OH-CD 3.2Å; Y132-K147 WeakPolarHBondContact OH-CE 3.41Å |
| 133 | A | 98 | Very high | 92.7 | Very high | 3 Ų | 3 | 71.4 Ų | 71.4 | 3% | 0.025 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 166.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V82 S135 G145 A146 L178 V184 | V82-A133 HydrophobicContact CB-CB 4.49Å; V82-A133 HydrophobicContact CG1-CB 3.86Å; A133-S135 PolarHBondContact O-N 2.81Å; A133-G145 CarbonylContact O-C 3.16Å; A133-G145 WeakPolarHBondContact O-CA 3.43Å; A133-A146 PolarHBondContact N-O 3.13Å; A133-A146 VanDerWaalsContact N-O 3.15Å; A133-A146 PolarHBondContact O-N 3.43Å; A133-L178 HydrophobicContact CB-CD1 3.69Å; A133-V184 HydrophobicContact CB-CG1 3.71Å |
| 134 | G | 96.3 | Very high | 93.3 | Very high | 16 Ų | 16 | 70.6 Ų | 70.6 | 17% | 0.165 | 31% | 0.307 | C | S | . | . | S | Bend | trans | 76.7 | 15.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | M77 | M77-G134 VanDerWaalsContact CE-N 3.32Š|
| 135 | S | 95 | Very high | 93.8 | Very high | 24 Ų | 24 | 67.2 Ų | 67.2 | 17% | 0.168 | 31% | 0.307 | C | S | . | . | trans | -145.8 | 129.9 | 170.4 | -167.3 | 0 | 0 | 0 | 0 | 111.2 | M77 A133 R137 | M77-S135 VanDerWaalsContact SD-O 3.36Å; A133-S135 PolarHBondContact O-N 2.81Å; S135-R137 VanDerWaalsContact C-N 3.27Å; S135-R137 PolarHBondContact O-N 3.18Å; S135-R137 PolarHBondContact OG-O 2.88Å | ||
| 136 | P | 92.8 | Very high | 94.2 | Very high | 22 Ų | 22 | 61.1 Ų | 61.1 | 14% | 0.143 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -68.3 | -30.1 | 175.9 | 27.2 | -33.6 | 0 | 0 | 0 | 111.4 | M77 R213 I214 | M77-P136 HydrophobicContact CB-CB 4.12Å; M77-P136 HydrophobicContact CG-CB 4.18Å; P136-R213 CarbonylContact O-C 3.56Å; P136-R213 WeakPolarHBondContact O-CA 3.44Å; P136-I214 PolarHBondContact O-N 3.37Å |
| 137 | R | 94.1 | Very high | 94.5 | Very high | 141 Ų | 141 | 64 Ų | 64 | 53% | 0.532 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -91.4 | 127.4 | -179.3 | -66 | -174.4 | -177.4 | 176.3 | 2.5 | 111.2 | S135 R144 H212 | S135-R137 VanDerWaalsContact C-N 3.27Å; S135-R137 PolarHBondContact O-N 3.18Å; S135-R137 PolarHBondContact OG-O 2.88Å; R137-R144 WeakPolarHBondContact O-CB 3.44Å; R137-H212 WeakPolarHBondContact CA-O 3.44Å |
| 138 | F | 94.2 | Very high | 94.7 | Very high | 3 Ų | 3 | 61.6 Ų | 61.6 | 1% | 0.013 | 28% | 0.278 | C | S | . | . | trans | -144.8 | 120.3 | 174.7 | -176.7 | -86.5 | 0 | 0 | 0 | 111 | I83 T85 Y132 R143 Y207 H212 | I83-F138 HydrophobicContact CD1-CB 3.26Å; I83-F138 HydrophobicContact CD1-CD1 4.2Å; I83-F138 HydrophobicContact CD1-CD2 4.21Å; I83-F138 HydrophobicContact CD1-CG 3.63Å; I83-F138 HydrophobicContact CG2-CD1 4.19Å; I83-F138 HydrophobicContact CG2-CE1 4.44Å; I83-F138 HydrophobicContact CG2-CG 4.41Å; T85-F138 HydrophobicContact CG2-CE1 3.64Å; T85-F138 HydrophobicContact CG2-CE2 4.34Å; T85-F138 HydrophobicContact CG2-CZ 3.54Å; Y132-F138 HydrophobicContact CD1-CD2 4.32Å; Y132-F138 AromaticContact CD1-CE2 3.67Å; Y132-F138 HydrophobicContact CD1-CE2 3.67Å; Y132-F138 AromaticContact CD2-CE2 3.58Å; Y132-F138 HydrophobicContact CD2-CE2 3.58Å; Y132-F138 AromaticContact CD2-CZ 4Å; Y132-F138 HydrophobicContact CD2-CZ 4Å; Y132-F138 AromaticContact CE1-CE2 3.98Å; Y132-F138 HydrophobicContact CE1-CE2 3.98Å; Y132-F138 AromaticContact CE2-CE2 3.89Å; Y132-F138 HydrophobicContact CE2-CE2 3.89Å; Y132-F138 HydrophobicContact CE2-CZ 4.05Å; Y132-F138 HydrophobicContact CG-CD2 4.08Å; Y132-F138 AromaticContact CG-CE2 3.47Å; Y132-F138 HydrophobicContact CG-CE2 3.47Å; Y132-F138 VanDerWaalsContact CG-CE2 3.47Å; Y132-F138 HydrophobicContact CG-CZ 4.34Å; F138-R143 HydrophobicContact CE2-CB 3.84Å; F138-R143 HydrophobicContact CE2-CG 4.18Å; F138-R143 HydrophobicContact CZ-CB 4.25Å; F138-R143 HydrophobicContact CZ-CG 4.07Å; F138-Y207 HydrophobicContact CB-CE2 4.18Å; F138-Y207 HydrophobicContact CD1-CE2 4.43Å; F138-Y207 WeakPolarHBondContact O-CE2 3.29Å; F138-Y207 PolarHBondContact O-OH 2.89Å; F138-H212 CarbonylContact C-O 3.46Å; F138-H212 PolarHBondContact N-O 2.93Å; F138-H212 WeakPolarHBondContact O-CB 3.45Å | ||
| 139 | S | 93 | Very high | 94.9 | Very high | 20 Ų | 20 | 59 Ų | 59 | 14% | 0.14 | 27% | 0.271 | C | S | . | . | trans | -126.1 | 161.2 | 169.7 | 80.3 | 0 | 0 | 0 | 0 | 110.9 | L141 R142 R143 | S139-L141 PolarHBondContact O-N 2.02Å; S139-R142 PolarHBondContact N-O 2.93Å; S139-R142 VanDerWaalsContact N-O 3.12Å; S139-R142 CarbonylContact O-C 3.16Å; S139-R142 PolarHBondContact O-N 2.68Å; S139-R142 WeakPolarHBondContact OG-CB 3.48Å; S139-R142 PolarHBondContact OG-N 2.93Å; S139-R143 PolarHBondContact O-N 3.04Å | ||
| 140 | R | 89.5 | Confident | 94.9 | Very high | 134 Ų | 134 | 59.5 Ų | 59.5 | 51% | 0.506 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -59 | -34.3 | 178.7 | -61.4 | -178.1 | -170.2 | 169.2 | 5.3 | 111.9 | R143 | R140-R143 PolarHBondContact O-NE 2.92Š|
| 141 | L | 88.2 | Confident | 94.8 | Very high | 161 Ų | 161 | 61.3 Ų | 61.3 | 84% | 0.843 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -79.5 | -41.6 | 178.2 | -60.8 | 175 | 0 | 0 | 0 | 111.7 | S139 | S139-L141 PolarHBondContact O-N 2.02Š|
| 142 | R | 90.1 | Very high | 94.6 | Very high | 181 Ų | 181 | 64 Ų | 64 | 68% | 0.683 | 31% | 0.311 | S | S | * | . | trans | -119.1 | 83.4 | -177 | -58.1 | -62.8 | -175.5 | 172.8 | -0.6 | 109.5 | S139 R144 | S139-R142 PolarHBondContact N-O 2.93Å; S139-R142 VanDerWaalsContact N-O 3.12Å; S139-R142 CarbonylContact O-C 3.16Å; S139-R142 PolarHBondContact O-N 2.68Å; S139-R142 WeakPolarHBondContact OG-CB 3.48Å; S139-R142 PolarHBondContact OG-N 2.93Å; R142-R144 PolarHBondContact O-N 2.8Å | ||
| 143 | R | 91 | Very high | 94.3 | Very high | 94 Ų | 94 | 64.7 Ų | 64.7 | 36% | 0.355 | 32% | 0.316 | S | S | . | . | trans | -80.2 | 63.1 | -177.1 | -56.5 | 175.1 | -171 | 176.3 | -9 | 111.2 | V88 Y132 F138 S139 R140 | V88-R143 PolarHBondContact O-NH2 3.45Å; V88-R143 VanDerWaalsContact O-NH2 3.07Å; Y132-R143 HydrophobicContact CD1-CB 4.45Å; Y132-R143 HydrophobicContact CE1-CB 3.71Å; Y132-R143 WeakPolarHBondContact OH-CD 3.26Å; F138-R143 HydrophobicContact CE2-CB 3.84Å; F138-R143 HydrophobicContact CE2-CG 4.18Å; F138-R143 HydrophobicContact CZ-CB 4.25Å; F138-R143 HydrophobicContact CZ-CG 4.07Å; S139-R143 PolarHBondContact O-N 3.04Å; R140-R143 PolarHBondContact O-NE 2.92Å | ||
| 144 | R | 93 | Very high | 94 | Very high | 144 Ų | 144 | 67.4 Ų | 67.4 | 54% | 0.543 | 33% | 0.329 | S | S | . | . | trans | -65 | 160.4 | -176.1 | -60.2 | 179.4 | 177.8 | -118 | 0.6 | 111.6 | R137 R142 | R137-R144 WeakPolarHBondContact O-CB 3.44Å; R142-R144 PolarHBondContact O-N 2.8Å | ||
| 145 | G | 95.4 | Very high | 93.6 | Very high | 40 Ų | 40 | 67.6 Ų | 67.6 | 41% | 0.412 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 89.5 | 178.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | A133 K147 | A133-G145 CarbonylContact O-C 3.16Å; A133-G145 WeakPolarHBondContact O-CA 3.43Å; G145-K147 PolarHBondContact O-N 2.9Å |
| 146 | A | 97.2 | Very high | 93.2 | Very high | 16 Ų | 16 | 68.3 Ų | 68.3 | 13% | 0.132 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 116.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y132 A133 L178 D182 | Y132-A146 VanDerWaalsContact CA-O 3.32Å; Y132-A146 WeakPolarHBondContact CA-O 3.36Å; A133-A146 PolarHBondContact N-O 3.13Å; A133-A146 VanDerWaalsContact N-O 3.15Å; A133-A146 PolarHBondContact O-N 3.43Å; A146-L178 HydrophobicContact CB-CD2 3.7Å; A146-D182 HydrophobicContact CB-CB 3.79Å; A146-D182 WeakPolarHBondContact CB-OD1 2.94Å |
| 147 | K | 97.2 | Very high | 92.6 | Very high | 108 Ų | 108 | 67.3 Ų | 67.3 | 47% | 0.47 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 127.3 | 176.6 | -178.6 | -175.7 | 179.4 | -177.1 | 0 | 111.1 | V131 Y132 G145 | V131-K147 WeakPolarHBondContact O-CA 2.82Å; Y132-K147 HydrophobicContact CD1-CB 3.93Å; Y132-K147 HydrophobicContact CD1-CG 4.31Å; Y132-K147 HydrophobicContact CE1-CB 3.57Å; Y132-K147 HydrophobicContact CE1-CD 3.9Å; Y132-K147 HydrophobicContact CE1-CG 3.64Å; Y132-K147 HydrophobicContact CE2-CG 4.38Å; Y132-K147 WeakPolarHBondContact OH-CD 3.2Å; Y132-K147 WeakPolarHBondContact OH-CE 3.41Å; G145-K147 PolarHBondContact O-N 2.9Å |
| 148 | V | 98 | Very high | 91.7 | Very high | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.024 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 146.1 | 179.5 | -171.9 | 0 | 0 | 0 | 0 | 111.8 | V131 L174 R176 L178 | V131-V148 PolarHBondContact N-O 3.38Å; V131-V148 VanDerWaalsContact N-O 3.08Å; V131-V148 PolarHBondContact O-N 3.07Å; V148-L174 HydrophobicContact CG1-CB 3.86Å; V148-L174 HydrophobicContact CG1-CD1 4.33Å; V148-L174 HydrophobicContact CG1-CD2 4.42Å; V148-L174 HydrophobicContact CG1-CG 4.43Å; V148-R176 HydrophobicContact CG1-CG 3.73Å; V148-R176 HydrophobicContact CG2-CG 4.08Å; V148-L178 HydrophobicContact CG2-CD2 3.52Å; V148-L178 HydrophobicContact CG2-CG 4.09Å |
| 149 | K | 98 | Very high | 90.3 | Very high | 107 Ų | 107 | 62 Ų | 62 | 47% | 0.465 | 30% | 0.303 | S | S | . | . | trans | -85.3 | 150.2 | 173.1 | -71.9 | 170.8 | 178.2 | 175.2 | 0 | 109.9 | Q175 | K149-Q175 HydrophobicContact CB-CB 4.06Å; K149-Q175 VanDerWaalsContact CB-OE1 3.27Å; K149-Q175 WeakPolarHBondContact O-CB 3.5Å; K149-Q175 PolarHBondContact O-N 3.08Å | ||
| 150 | I | 97.5 | Very high | 88.9 | Confident | 11 Ų | 11 | 63.7 Ų | 63.7 | 6% | 0.056 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 125.5 | 173.6 | -58 | 163.7 | 0 | 0 | 0 | 107.7 | F121 H126 L129 V131 S152 V153 L172 | F121-I150 HydrophobicContact CE1-CD1 4.31Å; F121-I150 HydrophobicContact CZ-CD1 4.32Å; H126-I150 HydrophobicContact CB-CB 4.4Å; H126-I150 HydrophobicContact CB-CG2 4.08Å; L129-I150 HydrophobicContact CB-CD1 3.92Å; V131-I150 HydrophobicContact CG2-CD1 4.11Å; V131-I150 HydrophobicContact CG2-CG1 3.83Å; I150-S152 WeakPolarHBondContact CG2-O 3.27Å; I150-V153 HydrophobicContact CG2-CG2 3.54Å; I150-L172 HydrophobicContact CD1-CD1 4.07Å; I150-L172 HydrophobicContact CG1-CD1 4.41Å; I150-L172 HydrophobicContact CG2-CB 4.28Å |
| 151 | A | 95.5 | Very high | 87.6 | Confident | 51 Ų | 51 | 62.2 Ų | 62.2 | 42% | 0.421 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | -46.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | K173 Q175 | A151-K173 HydrophobicContact CB-CG 4.4Å; A151-K173 PolarHBondContact N-O 3.17Å; A151-Q175 HydrophobicContact CB-CB 4.31Å |
| 152 | S | 94.4 | Very high | 86.3 | Confident | 58 Ų | 58 | 60.8 Ų | 60.8 | 41% | 0.406 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 163.3 | 178.2 | 69.5 | 0 | 0 | 0 | 0 | 111.7 | I150 K173 | I150-S152 WeakPolarHBondContact CG2-O 3.27Å; S152-K173 PolarHBondContact N-O 3.09Å; S152-K173 PolarHBondContact O-N 3.08Å; S152-K173 VanDerWaalsContact OG-CB 3.28Å; S152-K173 WeakPolarHBondContact OG-CB 3.2Å |
| 153 | V | 92.2 | Very high | 85 | Confident | 21 Ų | 21 | 62 Ų | 62 | 13% | 0.127 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 129.3 | -177.3 | -177.2 | 0 | 0 | 0 | 0 | 109.2 | F121 H126 I150 L155 A170 I171 L172 | F121-V153 HydrophobicContact CD1-CG1 4.5Å; F121-V153 HydrophobicContact CD1-CG2 4.45Å; F121-V153 HydrophobicContact CD2-CG1 4.29Å; F121-V153 HydrophobicContact CE1-CB 4.47Å; F121-V153 HydrophobicContact CE1-CG1 4.15Å; F121-V153 HydrophobicContact CE1-CG2 3.65Å; F121-V153 HydrophobicContact CE2-CG1 3.96Å; F121-V153 HydrophobicContact CZ-CG1 3.9Å; F121-V153 HydrophobicContact CZ-CG2 3.81Å; H126-V153 HydrophobicContact CB-CG2 3.46Å; H126-V153 VanDerWaalsContact CB-CG2 3.46Å; I150-V153 HydrophobicContact CG2-CG2 3.54Å; V153-L155 HydrophobicContact CG1-CD2 3.47Å; V153-L155 VanDerWaalsContact CG1-CD2 3.47Å; V153-L155 HydrophobicContact CG1-CG 3.92Å; V153-A170 HydrophobicContact CG1-CB 4.38Å; V153-I171 WeakPolarHBondContact CA-O 3.49Å; V153-L172 HydrophobicContact CB-CD2 4.34Å; V153-L172 HydrophobicContact CG1-CD2 3.73Å; V153-L172 HydrophobicContact CG2-CD2 3.93Å |
| 154 | L | 90.6 | Very high | 83.8 | Confident | 60 Ų | 60 | 64.5 Ų | 64.5 | 31% | 0.314 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 125.6 | 167.2 | -59.5 | 175.7 | 0 | 0 | 0 | 108.1 | Y156 A170 I171 | L154-Y156 HydrophobicContact CB-CE2 3.76Å; L154-A170 VanDerWaalsContact O-CA 3.27Å; L154-A170 WeakPolarHBondContact O-CA 3.36Å; L154-I171 HydrophobicContact CB-CB 4.34Å; L154-I171 PolarHBondContact N-O 3.28Å; L154-I171 PolarHBondContact O-N 3.37Å |
| 155 | L | 89.7 | Confident | 82.8 | Confident | 19 Ų | 19 | 58.9 Ų | 58.9 | 10% | 0.099 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 127 | -178.4 | -61.2 | 179 | 0 | 0 | 0 | 109.5 | A118 F121 V153 A170 L312 M317 | A118-L155 HydrophobicContact CB-CD2 4.05Å; F121-L155 HydrophobicContact CD2-CD2 3.83Å; F121-L155 HydrophobicContact CE2-CD2 4.44Å; F121-L155 HydrophobicContact CG-CD2 4.29Å; V153-L155 HydrophobicContact CG1-CD2 3.47Å; V153-L155 VanDerWaalsContact CG1-CD2 3.47Å; V153-L155 HydrophobicContact CG1-CG 3.92Å; L155-A170 HydrophobicContact CD2-CB 3.66Å; L155-L312 HydrophobicContact CB-CB 4.48Å; L155-L312 PolarHBondContact O-N 2.71Å; L155-M317 HydrophobicContact CD1-CE 4.26Å; L155-M317 HydrophobicContact CD1-SD 3.46Å; L155-M317 WeakPolarHBondContact CD1-SD 3.35Å |
| 156 | Y | 85.2 | Confident | 81.9 | Confident | 40 Ų | 40 | 61.3 Ų | 61.3 | 16% | 0.157 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 127.5 | -178.2 | -68.5 | -81.6 | 0 | 0 | 0 | 109.7 | L154 G168 V169 I171 L309 | L154-Y156 HydrophobicContact CB-CE2 3.76Å; Y156-G168 CarbonylContact O-C 3.54Å; Y156-G168 WeakPolarHBondContact O-CA 3.46Å; Y156-G168 PolarHBondContact O-N 3.46Å; Y156-V169 WeakPolarHBondContact CB-O 3.35Å; Y156-V169 HydrophobicContact CD2-CG2 4.17Å; Y156-V169 HydrophobicContact CG-CG2 4.33Å; Y156-V169 PolarHBondContact N-O 2.93Å; Y156-V169 PolarHBondContact O-N 3.33Å; Y156-I171 HydrophobicContact CD2-CD1 4.42Å; Y156-I171 HydrophobicContact CD2-CG1 4.26Å; Y156-I171 HydrophobicContact CE2-CD1 3.56Å; Y156-I171 HydrophobicContact CE2-CG1 3.74Å; Y156-L309 HydrophobicContact CD1-CB 4.21Å; Y156-L309 HydrophobicContact CD1-CD2 3.9Å; Y156-L309 HydrophobicContact CG-CD2 4.08Å |
| 157 | G | 81.5 | Confident | 81.2 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 155.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R166 L309 L310 | G157-R166 CarbonylContact C-O 3.59Å; G157-R166 VanDerWaalsContact CA-O 3.3Å; G157-R166 WeakPolarHBondContact CA-O 3.33Å; G157-L309 WeakPolarHBondContact O-CD2 3.37Å; G157-L310 PolarHBondContact N-O 3.08Å |
| 158 | L | 73.4 | Confident | 80.8 | Confident | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 123.3 | 165.3 | -59.4 | 179.3 | 0 | 0 | 0 | 108.1 | W160 I165 R166 L273 F290 K292 | L158-W160 PolarHBondContact O-N 2.96Å; L158-I165 CarbonylContact O-C 3.49Å; L158-I165 WeakPolarHBondContact O-CA 3.4Å; L158-I165 WeakPolarHBondContact O-CG2 2.99Å; L158-R166 PolarHBondContact N-O 3.22Å; L158-R166 PolarHBondContact O-N 3.42Å; L158-L273 HydrophobicContact CD1-CD1 3.69Å; L158-F290 HydrophobicContact CD1-CE1 4.29Å; L158-K292 HydrophobicContact CD1-CD 4.29Å; L158-K292 HydrophobicContact CD2-CD 3.58Å; L158-K292 VanDerWaalsContact CD2-CE 3.4Å; L158-K292 HydrophobicContact CD2-CG 4.03Å |
| 159 | P | 65.6 | Low | 80.5 | Confident | 26 Ų | 26 | 56.4 Ų | 56.4 | 17% | 0.169 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 131.7 | 170 | -7.8 | 19.3 | 0 | 0 | 0 | 108.9 | Q237 F238 | P159-Q237 HydrophobicContact CB-CB 4.47Å; P159-Q237 HydrophobicContact CB-CG 3.85Å; P159-Q237 HydrophobicContact CG-CB 3.85Å; P159-Q237 HydrophobicContact CG-CG 3.78Å; P159-F238 WeakPolarHBondContact O-CE1 3.1Å; P159-F238 WeakPolarHBondContact O-CZ 3.19Å |
| 160 | W | 62.8 | Low | 80.3 | Confident | 55 Ų | 55 | 51.3 Ų | 51.3 | 21% | 0.208 | 25% | 0.252 | C | S | . | . | trans | -116.8 | 162.5 | -179.9 | -160.8 | -91.6 | 0 | 0 | 0 | 111.6 | L158 K163 R164 R166 A229 A230 F238 | L158-W160 PolarHBondContact O-N 2.96Å; W160-K163 PolarHBondContact O-N 2.89Å; W160-R164 VanDerWaalsContact CA-O 3.3Å; W160-R164 WeakPolarHBondContact CA-O 3.23Å; W160-R164 HydrophobicContact CB-CB 4.07Å; W160-R164 WeakPolarHBondContact CB-O 3.28Å; W160-R164 PolarHBondContact N-O 3.18Å; W160-R164 PolarHBondContact O-N 2.85Å; W160-R166 HydrophobicContact CB-CG 4.16Å; W160-R166 VanDerWaalsContact CD2-CD 3.45Å; W160-R166 HydrophobicContact CD2-CG 3.87Å; W160-R166 HydrophobicContact CE3-CB 4.37Å; W160-R166 HydrophobicContact CE3-CG 3.74Å; W160-R166 HydrophobicContact CG-CG 4.06Å; W160-R166 HydrophobicContact CZ3-CG 4.39Å; W160-A229 HydrophobicContact CH2-CB 3.98Å; W160-A229 WeakPolarHBondContact CH2-O 3.12Å; W160-A229 HydrophobicContact CZ3-CB 3.51Å; W160-A230 HydrophobicContact CH2-CB 3.75Å; W160-A230 HydrophobicContact CZ2-CB 3.7Å; W160-A230 HydrophobicContact CZ3-CB 4.44Å; W160-F238 VanDerWaalsContact CA-CE1 3.49Å; W160-F238 VanDerWaalsContact CA-CZ 3.44Å; W160-F238 HydrophobicContact CB-CE1 4.25Å; W160-F238 AromaticContact CD2-CE1 3.83Å; W160-F238 HydrophobicContact CD2-CE1 3.83Å; W160-F238 AromaticContact CE3-CD1 3.97Å; W160-F238 HydrophobicContact CE3-CD1 3.97Å; W160-F238 AromaticContact CE3-CE1 3.49Å; W160-F238 HydrophobicContact CE3-CE1 3.49Å; W160-F238 VanDerWaalsContact CE3-CE1 3.49Å; W160-F238 HydrophobicContact CG-CE1 4.18Å; W160-F238 HydrophobicContact CZ3-CD1 4.23Å; W160-F238 HydrophobicContact CZ3-CE1 4.14Å | ||
| 161 | E | 62.2 | Low | 80.1 | Confident | 103 Ų | 103 | 52 Ų | 52 | 48% | 0.481 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -54.9 | 148.9 | 178.3 | -167.8 | 165.9 | -137.5 | 0 | 0 | 110.2 | K163 R164 | E161-K163 PolarHBondContact O-N 2.98Å; E161-R164 PolarHBondContact O-N 2.73Å |
| 162 | N | 62.4 | Low | 80.1 | Confident | 131 Ų | 131 | 49.6 Ų | 49.6 | 70% | 0.701 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | 62.1 | 34.1 | -175.4 | -55.5 | -31.4 | 0 | 0 | 0 | 114.9 | R164 | N162-R164 PolarHBondContact O-N 2.89Å; N162-R164 VanDerWaalsContact O-N 3.08Å |
| 163 | K | 61.7 | Low | 80.2 | Confident | 205 Ų | 205 | 50.5 Ų | 50.5 | 89% | 0.891 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | 60.8 | 14 | -179.2 | -54.5 | 175.7 | 179.6 | 175.6 | 0 | 114 | W160 E161 | W160-K163 PolarHBondContact O-N 2.89Å; E161-K163 PolarHBondContact O-N 2.98Å |
| 164 | R | 67.4 | Low | 80.4 | Confident | 148 Ų | 148 | 49.7 Ų | 49.7 | 56% | 0.558 | 23% | 0.227 | S | C | * | . | trans | -71.7 | 157 | 173.5 | -63.5 | -174.3 | -174.1 | -172.4 | 3.9 | 109.3 | W160 E161 N162 | W160-R164 VanDerWaalsContact CA-O 3.3Å; W160-R164 WeakPolarHBondContact CA-O 3.23Å; W160-R164 HydrophobicContact CB-CB 4.07Å; W160-R164 WeakPolarHBondContact CB-O 3.28Å; W160-R164 PolarHBondContact N-O 3.18Å; W160-R164 PolarHBondContact O-N 2.85Å; E161-R164 PolarHBondContact O-N 2.73Å; N162-R164 PolarHBondContact O-N 2.89Å; N162-R164 VanDerWaalsContact O-N 3.08Å | ||
| 165 | I | 70.7 | Confident | 80.8 | Confident | 26 Ų | 26 | 52.8 Ų | 52.8 | 13% | 0.133 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 120.2 | 174.7 | -52.4 | 172.3 | 0 | 0 | 0 | 107.8 | L158 L310 L312 I320 | L158-I165 CarbonylContact O-C 3.49Å; L158-I165 WeakPolarHBondContact O-CA 3.4Å; L158-I165 WeakPolarHBondContact O-CG2 2.99Å; I165-L310 HydrophobicContact CD1-CB 4.38Å; I165-L310 HydrophobicContact CD1-CD1 3.75Å; I165-L310 HydrophobicContact CG1-CD1 4.44Å; I165-L312 HydrophobicContact CB-CD2 3.99Å; I165-L312 HydrophobicContact CD1-CD2 4.09Å; I165-L312 HydrophobicContact CG2-CD2 3.47Å; I165-L312 VanDerWaalsContact CG2-CD2 3.47Å; I165-L312 HydrophobicContact CG2-CG 4.2Å; I165-I320 WeakPolarHBondContact O-CD1 3.45Å; I165-I320 WeakPolarHBondContact O-CG1 3.12Å |
| 166 | R | 77.3 | Confident | 81.1 | Confident | 91 Ų | 91 | 56.2 Ų | 56.2 | 34% | 0.343 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 154.2 | 170.6 | -72.9 | -170.4 | 79.7 | 111.2 | 3.7 | 110.4 | G157 L158 W160 G168 | G157-R166 CarbonylContact C-O 3.59Å; G157-R166 VanDerWaalsContact CA-O 3.3Å; G157-R166 WeakPolarHBondContact CA-O 3.33Å; L158-R166 PolarHBondContact N-O 3.22Å; L158-R166 PolarHBondContact O-N 3.42Å; W160-R166 HydrophobicContact CB-CG 4.16Å; W160-R166 VanDerWaalsContact CD2-CD 3.45Å; W160-R166 HydrophobicContact CD2-CG 3.87Å; W160-R166 HydrophobicContact CE3-CB 4.37Å; W160-R166 HydrophobicContact CE3-CG 3.74Å; W160-R166 HydrophobicContact CG-CG 4.06Å; W160-R166 HydrophobicContact CZ3-CG 4.39Å; R166-G168 PolarHBondContact O-N 3.28Å |
| 167 | A | 82.9 | Confident | 81.7 | Confident | 11 Ų | 11 | 56.7 Ų | 56.7 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 120.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | A118 E119 | A118-A167 HydrophobicContact CB-CB 3.98Å; E119-A167 HydrophobicContact CB-CB 3.86Å |
| 168 | G | 88.1 | Confident | 82.5 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | -120.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | A118 Y156 R166 L273 | A118-G168 WeakPolarHBondContact CB-O 3.4Å; A118-G168 PolarHBondContact N-O 2.93Å; Y156-G168 CarbonylContact O-C 3.54Å; Y156-G168 WeakPolarHBondContact O-CA 3.46Å; Y156-G168 PolarHBondContact O-N 3.46Å; R166-G168 PolarHBondContact O-N 3.28Å; G168-L273 VanDerWaalsContact O-CD2 3.28Å; G168-L273 WeakPolarHBondContact O-CD2 3.26Å |
| 169 | V | 91.7 | Very high | 83.6 | Confident | 14 Ų | 14 | 58.9 Ų | 58.9 | 9% | 0.085 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 156.5 | -176.9 | -60.1 | 0 | 0 | 0 | 0 | 112 | T116 Y156 V271 K292 | T116-V169 CarbonylContact O-C 3.48Å; T116-V169 WeakPolarHBondContact O-CA 3.04Å; Y156-V169 WeakPolarHBondContact CB-O 3.35Å; Y156-V169 HydrophobicContact CD2-CG2 4.17Å; Y156-V169 HydrophobicContact CG-CG2 4.33Å; Y156-V169 PolarHBondContact N-O 2.93Å; Y156-V169 PolarHBondContact O-N 3.33Å; V169-V271 HydrophobicContact CG1-CB 3.89Å; V169-V271 HydrophobicContact CG1-CG1 4.31Å; V169-V271 HydrophobicContact CG1-CG2 4.06Å; V169-K292 HydrophobicContact CG1-CB 4.03Å; V169-K292 HydrophobicContact CG1-CG 4.17Å |
| 170 | A | 92.8 | Very high | 85 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 139 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | T116 A118 F121 V153 L154 L155 L172 | T116-A170 HydrophobicContact CG2-CB 3.88Å; T116-A170 PolarHBondContact N-O 2.67Å; T116-A170 VanDerWaalsContact N-O 3.08Å; T116-A170 PolarHBondContact O-N 3.39Å; A118-A170 HydrophobicContact CB-CB 4.49Å; F121-A170 HydrophobicContact CD2-CB 4.33Å; F121-A170 HydrophobicContact CE2-CB 3.98Å; V153-A170 HydrophobicContact CG1-CB 4.38Å; L154-A170 VanDerWaalsContact O-CA 3.27Å; L154-A170 WeakPolarHBondContact O-CA 3.36Å; L155-A170 HydrophobicContact CD2-CB 3.66Å; A170-L172 HydrophobicContact CB-CD2 4.04Å |
| 171 | I | 94.2 | Very high | 86.5 | Confident | 24 Ų | 24 | 66.5 Ų | 66.5 | 12% | 0.123 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 120.8 | 171.5 | -51 | -178.3 | 0 | 0 | 0 | 107.5 | V113 L115 V153 L154 Y156 I296 | V113-I171 HydrophobicContact CG1-CG2 3.75Å; L115-I171 HydrophobicContact CD2-CB 4.15Å; L115-I171 HydrophobicContact CD2-CD1 4.39Å; L115-I171 HydrophobicContact CD2-CG1 3.65Å; L115-I171 HydrophobicContact CD2-CG2 4.05Å; V153-I171 WeakPolarHBondContact CA-O 3.49Å; L154-I171 HydrophobicContact CB-CB 4.34Å; L154-I171 PolarHBondContact N-O 3.28Å; L154-I171 PolarHBondContact O-N 3.37Å; Y156-I171 HydrophobicContact CD2-CD1 4.42Å; Y156-I171 HydrophobicContact CD2-CG1 4.26Å; Y156-I171 HydrophobicContact CE2-CD1 3.56Å; Y156-I171 HydrophobicContact CE2-CG1 3.74Å; I171-I296 HydrophobicContact CD1-CD1 3.83Å; I171-I296 HydrophobicContact CD1-CG1 3.73Å |
| 172 | L | 95.4 | Very high | 88.2 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 134.9 | 179.9 | -35.4 | -173.8 | 0 | 0 | 0 | 109 | I84 V113 V114 T116 F121 V131 I150 V153 A170 | I84-L172 HydrophobicContact CD1-CD1 3.96Å; V113-L172 WeakPolarHBondContact CA-O 3.32Å; V114-L172 HydrophobicContact CB-CB 4.1Å; V114-L172 HydrophobicContact CB-CD1 4.21Å; V114-L172 HydrophobicContact CB-CG 4.17Å; V114-L172 HydrophobicContact CG1-CD1 3.94Å; V114-L172 HydrophobicContact CG1-CG 4.2Å; V114-L172 PolarHBondContact N-O 3.41Å; V114-L172 PolarHBondContact O-N 3.27Å; T116-L172 HydrophobicContact CG2-CD1 4.16Å; T116-L172 HydrophobicContact CG2-CD2 4.12Å; T116-L172 HydrophobicContact CG2-CG 4.21Å; F121-L172 HydrophobicContact CE1-CD2 4.46Å; F121-L172 HydrophobicContact CE2-CD2 3.52Å; F121-L172 HydrophobicContact CZ-CD1 4.09Å; F121-L172 HydrophobicContact CZ-CD2 3.3Å; F121-L172 HydrophobicContact CZ-CG 4.36Å; V131-L172 HydrophobicContact CG2-CD1 4.38Å; I150-L172 HydrophobicContact CD1-CD1 4.07Å; I150-L172 HydrophobicContact CG1-CD1 4.41Å; I150-L172 HydrophobicContact CG2-CB 4.28Å; V153-L172 HydrophobicContact CB-CD2 4.34Å; V153-L172 HydrophobicContact CG1-CD2 3.73Å; V153-L172 HydrophobicContact CG2-CD2 3.93Å; A170-L172 HydrophobicContact CB-CD2 4.04Å |
| 173 | K | 96 | Very high | 89.7 | Confident | 77 Ų | 77 | 61.2 Ų | 61.2 | 34% | 0.335 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 121.8 | 163 | -173.9 | 70.6 | 177.3 | -174.7 | 0 | 108.4 | D112 A151 S152 | D112-K173 HydrophobicContact CB-CD 4.47Å; D112-K173 CarbonylContact O-C 3.59Å; D112-K173 WeakPolarHBondContact O-CA 3.03Å; D112-K173 WeakPolarHBondContact OD1-CE 3.44Å; D112-K173 IonicContact OD1-NZ 2.64Å; D112-K173 PolarHBondContact OD1-NZ 2.89Å; D112-K173 WeakPolarHBondContact OD2-CE 3.47Å; D112-K173 IonicContact OD2-NZ 3.34Å; D112-K173 PolarHBondContact OD2-NZ 2.93Å; A151-K173 HydrophobicContact CB-CG 4.4Å; A151-K173 PolarHBondContact N-O 3.17Å; S152-K173 PolarHBondContact N-O 3.09Å; S152-K173 PolarHBondContact O-N 3.08Å; S152-K173 VanDerWaalsContact OG-CB 3.28Å; S152-K173 WeakPolarHBondContact OG-CB 3.2Å |
| 174 | L | 97.7 | Very high | 91.5 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 148.4 | 173.8 | -58.1 | -174.5 | 0 | 0 | 0 | 110.5 | L98 D112 V114 V131 V148 R176 L178 | L98-L174 HydrophobicContact CD1-CD1 4.31Å; D112-L174 HydrophobicContact CB-CB 4.08Å; D112-L174 WeakPolarHBondContact O-CG 3.26Å; D112-L174 PolarHBondContact O-N 2.92Å; V114-L174 HydrophobicContact CG2-CD1 4Å; V114-L174 HydrophobicContact CG2-CD2 4.09Å; V114-L174 HydrophobicContact CG2-CG 4.14Å; V131-L174 HydrophobicContact CB-CD2 4.1Å; V131-L174 HydrophobicContact CG1-CD2 4.33Å; V131-L174 HydrophobicContact CG2-CD2 3.78Å; V148-L174 HydrophobicContact CG1-CB 3.86Å; V148-L174 HydrophobicContact CG1-CD1 4.33Å; V148-L174 HydrophobicContact CG1-CD2 4.42Å; V148-L174 HydrophobicContact CG1-CG 4.43Å; L174-R176 VanDerWaalsContact C-N 3.27Å; L174-R176 VanDerWaalsContact CB-O 3.28Å; L174-R176 WeakPolarHBondContact CB-O 3.49Å; L174-R176 PolarHBondContact O-N 3.46Å; L174-L178 HydrophobicContact CD1-CD1 3.82Å; L174-L178 HydrophobicContact CD1-CG 4.03Å |
| 175 | Q | 97.2 | Very high | 92.9 | Very high | 126 Ų | 126 | 44.5 Ų | 44.5 | 59% | 0.589 | 21% | 0.207 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -70.2 | -25.3 | 178.6 | -172.4 | 169.9 | 17.5 | 0 | 0 | 112.9 | K149 A151 | K149-Q175 HydrophobicContact CB-CB 4.06Å; K149-Q175 VanDerWaalsContact CB-OE1 3.27Å; K149-Q175 WeakPolarHBondContact O-CB 3.5Å; K149-Q175 PolarHBondContact O-N 3.08Å; A151-Q175 HydrophobicContact CB-CB 4.31Å |
| 176 | R | 97.2 | Very high | 94.2 | Very high | 90 Ų | 90 | 43.4 Ų | 43.4 | 34% | 0.34 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 147.4 | 167 | 68 | 172.3 | -172.4 | 88.1 | -11.4 | 108.9 | V148 L174 D182 | V148-R176 HydrophobicContact CG1-CG 3.73Å; V148-R176 HydrophobicContact CG2-CG 4.08Å; L174-R176 VanDerWaalsContact C-N 3.27Å; L174-R176 VanDerWaalsContact CB-O 3.28Å; L174-R176 WeakPolarHBondContact CB-O 3.49Å; L174-R176 PolarHBondContact O-N 3.46Å; R176-D182 IonicContact CZ-OD1 3.53Å; R176-D182 IonicContact CZ-OD2 3.88Å; R176-D182 IonicContact NH1-OD1 3.26Å; R176-D182 PolarHBondContact NH1-OD1 2.81Å; R176-D182 IonicContact NH1-OD2 2.9Å; R176-D182 PolarHBondContact NH1-OD2 3.31Å; R176-D182 IonicContact NH2-OD1 2.87Å; R176-D182 PolarHBondContact NH2-OD1 2.98Å; R176-D182 IonicContact NH2-OD2 3.91Å |
| 177 | P | 97.8 | Very high | 95.1 | Very high | 51 Ų | 51 | 39 Ų | 39 | 33% | 0.331 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 145.7 | 166.8 | 27.8 | -33.2 | 0 | 0 | 0 | 110.4 | S111 D112 L179 | S111-P177 WeakPolarHBondContact O-CA 3.19Å; D112-P177 HydrophobicContact CB-CB 4.16Å; P177-L179 WeakPolarHBondContact O-CD1 3.46Å |
| 178 | L | 98.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 137.4 | 163.1 | -69.2 | 168.5 | 0 | 0 | 0 | 108 | L98 S110 S111 A133 A146 V148 L174 D182 V184 | L98-L178 HydrophobicContact CD1-CD1 4.34Å; L98-L178 HydrophobicContact CD2-CB 4.12Å; S110-L178 VanDerWaalsContact CA-O 3.26Å; S110-L178 WeakPolarHBondContact CA-O 3.34Å; S111-L178 PolarHBondContact N-O 2.93Å; S111-L178 PolarHBondContact O-N 3.28Å; A133-L178 HydrophobicContact CB-CD1 3.69Å; A146-L178 HydrophobicContact CB-CD2 3.7Å; V148-L178 HydrophobicContact CG2-CD2 3.52Å; V148-L178 HydrophobicContact CG2-CG 4.09Å; L174-L178 HydrophobicContact CD1-CD1 3.82Å; L174-L178 HydrophobicContact CD1-CG 4.03Å; L178-D182 WeakPolarHBondContact CA-OD2 3.19Å; L178-D182 HydrophobicContact CD2-CB 3.89Å; L178-V184 HydrophobicContact CB-CG2 3.58Å |
| 179 | L | 96.7 | Very high | 96.1 | Very high | 52 Ų | 52 | 40.4 Ų | 40.4 | 27% | 0.272 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 169.3 | -175 | -60.6 | 96.9 | 0 | 0 | 0 | 110.2 | P177 K181 D182 V184 | P177-L179 WeakPolarHBondContact O-CD1 3.46Å; L179-K181 HydrophobicContact CB-CG 3.99Å; L179-K181 PolarHBondContact O-N 2.8Å; L179-K181 VanDerWaalsContact O-N 3.08Å; L179-D182 PolarHBondContact N-OD2 3.37Å; L179-D182 WeakPolarHBondContact O-CA 3.47Å; L179-D182 WeakPolarHBondContact O-CB 3.27Å; L179-D182 PolarHBondContact O-N 3.45Å; L179-V184 WeakPolarHBondContact O-CG2 3.35Å |
| 180 | R | 95.1 | Very high | 96.2 | Very high | 72 Ų | 72 | 40.7 Ų | 40.7 | 27% | 0.272 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -48.2 | -37.8 | 171.3 | 179 | 156.8 | 176.6 | 54.2 | 27.4 | 114.1 | V53 T60 N109 D182 N183 V184 | V53-R180 HydrophobicContact CG2-CB 4.49Å; T60-R180 VanDerWaalsContact CB-CZ 3.46Å; T60-R180 PolarHBondContact O-NE 3.31Å; T60-R180 PolarHBondContact O-NH2 2.93Å; T60-R180 PolarHBondContact OG1-NE 3.41Å; T60-R180 PolarHBondContact OG1-NH1 2.68Å; N109-R180 PolarHBondContact O-N 2.65Å; R180-D182 PolarHBondContact O-N 3.04Å; R180-N183 WeakPolarHBondContact O-CA 3.34Å; R180-N183 PolarHBondContact O-N 3.01Å; R180-V184 WeakPolarHBondContact CA-O 3.07Å |
| 181 | K | 94.1 | Very high | 96 | Very high | 169 Ų | 169 | 48.4 Ų | 48.4 | 74% | 0.735 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -66.5 | -18.4 | 176.1 | 67.2 | 174.1 | -177.3 | 179.9 | 0 | 114.8 | L179 N183 | L179-K181 HydrophobicContact CB-CG 3.99Å; L179-K181 PolarHBondContact O-N 2.8Å; L179-K181 VanDerWaalsContact O-N 3.08Å; K181-N183 PolarHBondContact O-N 3.15Å |
| 182 | D | 96.5 | Very high | 95.6 | Very high | 26 Ų | 26 | 54.9 Ų | 54.9 | 14% | 0.139 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -83.4 | 12.6 | 170.9 | -64.5 | -72.3 | 0 | 0 | 0 | 111.4 | A146 R176 L178 L179 R180 V184 | A146-D182 HydrophobicContact CB-CB 3.79Å; A146-D182 WeakPolarHBondContact CB-OD1 2.94Å; R176-D182 IonicContact CZ-OD1 3.53Å; R176-D182 IonicContact CZ-OD2 3.88Å; R176-D182 IonicContact NH1-OD1 3.26Å; R176-D182 PolarHBondContact NH1-OD1 2.81Å; R176-D182 IonicContact NH1-OD2 2.9Å; R176-D182 PolarHBondContact NH1-OD2 3.31Å; R176-D182 IonicContact NH2-OD1 2.87Å; R176-D182 PolarHBondContact NH2-OD1 2.98Å; R176-D182 IonicContact NH2-OD2 3.91Å; L178-D182 WeakPolarHBondContact CA-OD2 3.19Å; L178-D182 HydrophobicContact CD2-CB 3.89Å; L179-D182 PolarHBondContact N-OD2 3.37Å; L179-D182 WeakPolarHBondContact O-CA 3.47Å; L179-D182 WeakPolarHBondContact O-CB 3.27Å; L179-D182 PolarHBondContact O-N 3.45Å; R180-D182 PolarHBondContact O-N 3.04Å; D182-V184 HydrophobicContact CB-CG2 4.34Å |
| 183 | N | 95.8 | Very high | 94.8 | Very high | 97 Ų | 97 | 59.7 Ų | 59.7 | 52% | 0.519 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 42.1 | -174.4 | -64.8 | -22.9 | 0 | 0 | 0 | 113.6 | R180 K181 | R180-N183 WeakPolarHBondContact O-CA 3.34Å; R180-N183 PolarHBondContact O-N 3.01Å; K181-N183 PolarHBondContact O-N 3.15Å |
| 184 | V | 97.5 | Very high | 94.5 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.012 | 27% | 0.27 | C | S | . | . | trans | -132.8 | 154.3 | 176.7 | -58.1 | 0 | 0 | 0 | 0 | 113.2 | P79 L98 A133 L178 L179 R180 D182 | P79-V184 WeakPolarHBondContact O-CA 3.16Å; P79-V184 WeakPolarHBondContact O-CB 3.42Å; P79-V184 WeakPolarHBondContact O-CG1 3.38Å; L98-V184 HydrophobicContact CD2-CB 4.15Å; L98-V184 HydrophobicContact CD2-CG2 3.76Å; A133-V184 HydrophobicContact CB-CG1 3.71Å; L178-V184 HydrophobicContact CB-CG2 3.58Å; L179-V184 WeakPolarHBondContact O-CG2 3.35Å; R180-V184 WeakPolarHBondContact CA-O 3.07Å; D182-V184 HydrophobicContact CB-CG2 4.34Å | ||
| 185 | V | 97.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | trans | -138.9 | 143.9 | 161.4 | -66.1 | 0 | 0 | 0 | 0 | 107.7 | V53 D57 F61 P79 W80 | V53-V185 HydrophobicContact CG1-CB 4.24Å; V53-V185 HydrophobicContact CG1-CG1 3.57Å; D57-V185 WeakPolarHBondContact O-CG2 3.24Å; F61-V185 HydrophobicContact CE2-CG1 3.75Å; F61-V185 HydrophobicContact CE2-CG2 4.11Å; F61-V185 HydrophobicContact CZ-CG1 4.28Å; P79-V185 CarbonylContact C-O 3.41Å; P79-V185 HydrophobicContact CB-CG2 3.89Å; P79-V185 HydrophobicContact CG-CG2 3.38Å; P79-V185 PolarHBondContact O-N 3.5Å; W80-V185 WeakPolarHBondContact CA-O 3.46Å; W80-V185 WeakPolarHBondContact CB-O 3.45Å; W80-V185 HydrophobicContact CE3-CG2 4.37Å; W80-V185 PolarHBondContact N-O 3.15Å | ||
| 186 | P | 97.7 | Very high | 94.1 | Very high | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.013 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 149.1 | 179.6 | 28.5 | -33.3 | 0 | 0 | 0 | 111.6 | C55 G56 L98 H100 V108 | C55-P186 CarbonylContact C-O 3.24Å; C55-P186 WeakPolarHBondContact CA-O 3.39Å; C55-P186 HydrophobicContact CB-CG 4.43Å; G56-P186 PolarHBondContact N-O 3.32Å; L98-P186 HydrophobicContact CG-CB 4.36Å; L98-P186 CarbonylContact O-C 3.14Å; L98-P186 VanDerWaalsContact O-CA 3.26Å; L98-P186 WeakPolarHBondContact O-CA 3.46Å; H100-P186 HydrophobicContact CB-CB 4.01Å; H100-P186 HydrophobicContact CB-CG 4.03Å; V108-P186 HydrophobicContact CG1-CG 3.86Å; V108-P186 HydrophobicContact CG2-CG 4Å |
| 187 | V | 97.8 | Very high | 94 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -80.3 | 150.5 | 168.1 | 70.9 | 0 | 0 | 0 | 0 | 110.3 | W80 L98 V99 H100 V259 A266 Q268 | W80-V187 HydrophobicContact CB-CB 4.05Å; W80-V187 HydrophobicContact CB-CG1 4.42Å; W80-V187 HydrophobicContact CD2-CB 3.62Å; W80-V187 HydrophobicContact CD2-CG2 4.02Å; W80-V187 HydrophobicContact CE3-CB 3.92Å; W80-V187 HydrophobicContact CE3-CG2 4.29Å; W80-V187 HydrophobicContact CG-CB 3.68Å; W80-V187 HydrophobicContact CG-CG1 4.27Å; W80-V187 HydrophobicContact CG-CG2 4.44Å; W80-V187 HydrophobicContact CZ2-CG2 4.38Å; L98-V187 PolarHBondContact O-N 2.89Å; V99-V187 HydrophobicContact CG1-CG1 3.81Å; H100-V187 PolarHBondContact N-O 2.88Å; V187-V259 HydrophobicContact CG2-CG1 4.13Å; V187-V259 HydrophobicContact CG2-CG2 4.27Å; V187-A266 HydrophobicContact CG2-CB 4.21Å; V187-A266 WeakPolarHBondContact CG2-O 3.46Å; V187-Q268 HydrophobicContact CG1-CB 3.79Å; V187-Q268 HydrophobicContact CG2-CB 4.27Å |
| 188 | C | 96.8 | Very high | 93.7 | Very high | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.014 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 147.8 | 170.5 | -58.3 | 0 | 0 | 0 | 0 | 110.1 | C55 A266 Y267 Q268 | C55-C188 HydrophobicContact CB-CB 4.07Å; C55-C188 WeakPolarHBondContact CB-SG 3.47Å; C55-C188 PolarHBondContact O-SG 2.88Å; C55-C188 WeakPolarHBondContact SG-CA 3.35Å; C55-C188 WeakPolarHBondContact SG-CB 3.22Å; C55-C188 CovalentContact SG-SG 2.05Å; C55-C188 PolarHBondContact SG-SG 3.04Å; C188-A266 WeakPolarHBondContact CB-O 3.08Å; C188-A266 PolarHBondContact N-O 2.87Å; C188-Y267 HydrophobicContact CB-CD1 3.58Å; C188-Y267 HydrophobicContact CB-CE1 3.83Å; C188-Y267 HydrophobicContact CB-CG 4.31Å; C188-Y267 CarbonylContact O-C 3.52Å; C188-Y267 WeakPolarHBondContact O-CA 3.21Å; C188-Q268 PolarHBondContact O-N 3.38Å |
| 189 | L | 95.5 | Very high | 93.4 | Very high | 38 Ų | 38 | 62 Ų | 62 | 20% | 0.199 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 135.7 | 166.4 | -64.7 | 176.2 | 0 | 0 | 0 | 108.8 | V99 L115 I294 I296 | V99-L189 HydrophobicContact CB-CD2 4.04Å; V99-L189 HydrophobicContact CB-CG 4.39Å; V99-L189 HydrophobicContact CG1-CD2 3.84Å; L115-L189 HydrophobicContact CD1-CD2 3.75Å; L189-I294 HydrophobicContact CD2-CD1 4.12Å; L189-I294 HydrophobicContact CD2-CG2 4.45Å; L189-I296 HydrophobicContact CD1-CD1 4.06Å |
| 190 | A | 93.7 | Very high | 93.4 | Very high | 19 Ų | 19 | 60.3 Ų | 60.3 | 16% | 0.157 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 157.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q268 Y269 | A190-Q268 WeakPolarHBondContact CB-O 3.45Å; A190-Q268 PolarHBondContact N-O 3.26Å; A190-Y269 HydrophobicContact CB-CD1 3.56Å; A190-Y269 HydrophobicContact CB-CD2 4.02Å; A190-Y269 HydrophobicContact CB-CE1 3.66Å; A190-Y269 HydrophobicContact CB-CE2 4.11Å; A190-Y269 HydrophobicContact CB-CG 3.76Å |
| 191 | Q | 89 | Confident | 93.5 | Very high | 163 Ų | 163 | 59.2 Ų | 59.2 | 76% | 0.762 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -58 | 147.9 | 174.5 | -66.9 | -177 | 2.5 | 0 | 0 | 110.6 | E193 S194 | Q191-E193 PolarHBondContact O-N 3.25Å; Q191-S194 PolarHBondContact N-OG 3.16Å; Q191-S194 WeakPolarHBondContact O-CB 3.47Å; Q191-S194 PolarHBondContact O-N 2.68Å; Q191-S194 VanDerWaalsContact O-N 3.09Å; Q191-S194 PolarHBondContact O-OG 3.15Å |
| 192 | R | 83.9 | Confident | 93.6 | Very high | 160 Ų | 160 | 51.3 Ų | 51.3 | 60% | 0.604 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 130.8 | 178.9 | 172.8 | 175.1 | 173.2 | 169.6 | 3.1 | 110.2 | S194 L295 | R192-S194 PolarHBondContact O-N 3.46Å; R192-L295 VanDerWaalsContact CD-CD1 3.42Å; R192-L295 HydrophobicContact CG-CD1 3.59Å |
| 193 | E | 79.5 | Confident | 93.7 | Very high | 102 Ų | 102 | 50.8 Ų | 50.8 | 48% | 0.477 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 10.2 | 175.1 | -65.1 | 172.8 | -143.7 | 0 | 0 | 115.1 | Q191 R226 | Q191-E193 PolarHBondContact O-N 3.25Å; E193-R226 PolarHBondContact O-NH2 3.03Å |
| 194 | S | 89.2 | Confident | 93.7 | Very high | 30 Ų | 30 | 46.2 Ų | 46.2 | 21% | 0.21 | 24% | 0.239 | C | C | . | . | trans | -72.5 | 150.2 | 172.5 | 66.6 | 0 | 0 | 0 | 0 | 111.1 | Q191 R192 Y269 | Q191-S194 PolarHBondContact N-OG 3.16Å; Q191-S194 WeakPolarHBondContact O-CB 3.47Å; Q191-S194 PolarHBondContact O-N 2.68Å; Q191-S194 VanDerWaalsContact O-N 3.09Å; Q191-S194 PolarHBondContact O-OG 3.15Å; R192-S194 PolarHBondContact O-N 3.46Å; S194-Y269 WeakPolarHBondContact OG-CE1 3.44Å | ||
| 195 | V | 92.3 | Very high | 93.7 | Very high | 56 Ų | 56 | 46.1 Ų | 46.1 | 34% | 0.339 | 24% | 0.239 | S | C | . | . | trans | -110.2 | 154 | 167.8 | -64 | 0 | 0 | 0 | 0 | 108.5 | A225 R226 I241 Y269 | V195-A225 HydrophobicContact CB-CB 3.99Å; V195-A225 HydrophobicContact CG1-CB 4Å; V195-A225 HydrophobicContact CG2-CB 4.38Å; V195-R226 HydrophobicContact CG1-CG 4.04Å; V195-I241 HydrophobicContact CG1-CD1 4.42Å; V195-I241 HydrophobicContact CG1-CG1 4.31Å; V195-Y269 WeakPolarHBondContact O-CE1 3.45Å | ||
| 196 | P | 94.7 | Very high | 93.7 | Very high | 8 Ų | 8 | 46.4 Ų | 46.4 | 5% | 0.052 | 24% | 0.24 | C | C | . | . | trans | -56.3 | 135.5 | 175.8 | -23.9 | 33.1 | 0 | 0 | 0 | 110.7 | C202 I221 M258 C260 Y269 | P196-C202 VanDerWaalsContact CB-SG 3.53Å; P196-I221 HydrophobicContact CB-CG1 4.13Å; P196-I221 HydrophobicContact CG-CD1 4.13Å; P196-I221 HydrophobicContact CG-CG1 4.05Å; P196-M258 HydrophobicContact CG-CE 3.98Å; P196-C260 HydrophobicContact CB-CB 4.32Å; P196-C260 WeakPolarHBondContact CG-SG 3.48Å; P196-Y269 HydrophobicContact CB-CD2 4.48Å; P196-Y269 HydrophobicContact CB-CE1 4.46Å; P196-Y269 HydrophobicContact CB-CE2 4.38Å; P196-Y269 HydrophobicContact CG-CD1 3.81Å; P196-Y269 HydrophobicContact CG-CD2 3.95Å; P196-Y269 HydrophobicContact CG-CE1 4.18Å; P196-Y269 HydrophobicContact CG-CE2 4.32Å; P196-Y269 HydrophobicContact CG-CG 3.67Å; P196-Y269 VanDerWaalsContact N-CE1 3.34Å | ||
| 197 | P | 94.2 | Very high | 93.6 | Very high | 28 Ų | 28 | 46.7 Ų | 46.7 | 18% | 0.182 | 24% | 0.241 | C | C | . | . | trans | -68.5 | 153.2 | 176.1 | 29 | -32.8 | 0 | 0 | 0 | 110.2 | Y199 A200 V262 | P197-Y199 HydrophobicContact CB-CD1 3.98Å; P197-Y199 HydrophobicContact CB-CE1 3.51Å; P197-Y199 HydrophobicContact CB-CE2 4.43Å; P197-Y199 HydrophobicContact CG-CD1 4.44Å; P197-Y199 HydrophobicContact CG-CD2 4.49Å; P197-Y199 HydrophobicContact CG-CE1 3.87Å; P197-Y199 HydrophobicContact CG-CE2 3.89Å; P197-Y199 PolarHBondContact O-N 3.29Å; P197-Y199 VanDerWaalsContact O-N 3.07Å; P197-A200 HydrophobicContact CG-CB 3.83Å; P197-A200 WeakPolarHBondContact O-CB 3.46Å; P197-A200 PolarHBondContact O-N 2.9Å; P197-V262 HydrophobicContact CG-CG1 4.32Å; P197-V262 HydrophobicContact CG-CG2 4.12Å | ||
| 198 | P | 91.7 | Very high | 93.5 | Very high | 139 Ų | 139 | 47 Ų | 47 | 90% | 0.903 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -26.1 | -172.1 | -26.6 | 34.9 | 0 | 0 | 0 | 115.5 | ||
| 199 | Y | 93.7 | Very high | 93.4 | Very high | 137 Ų | 137 | 51.8 Ų | 51.8 | 54% | 0.537 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -11.9 | 178.9 | 62.2 | -100.4 | 0 | 0 | 0 | 113.5 | P197 V262 H263 | P197-Y199 HydrophobicContact CB-CD1 3.98Å; P197-Y199 HydrophobicContact CB-CE1 3.51Å; P197-Y199 HydrophobicContact CB-CE2 4.43Å; P197-Y199 HydrophobicContact CG-CD1 4.44Å; P197-Y199 HydrophobicContact CG-CD2 4.49Å; P197-Y199 HydrophobicContact CG-CE1 3.87Å; P197-Y199 HydrophobicContact CG-CE2 3.89Å; P197-Y199 PolarHBondContact O-N 3.29Å; P197-Y199 VanDerWaalsContact O-N 3.07Å; Y199-V262 HydrophobicContact CE2-CG1 4.14Å; Y199-H263 AromaticContact CE2-NE2 3.95Å; Y199-H263 AromaticContact CZ-NE2 3.77Å; Y199-H263 PolarHBondContact OH-CE1 3.15Å; Y199-H263 VanDerWaalsContact OH-CE1 3.24Å; Y199-H263 PolarHBondContact OH-NE2 2.53Å |
| 200 | A | 96.2 | Very high | 93.3 | Very high | 16 Ų | 16 | 56.5 Ų | 56.5 | 13% | 0.132 | 28% | 0.281 | C | S | . | . | trans | -75.1 | 135.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | P197 C260 V262 | P197-A200 HydrophobicContact CG-CB 3.83Å; P197-A200 WeakPolarHBondContact O-CB 3.46Å; P197-A200 PolarHBondContact O-N 2.9Å; A200-C260 HydrophobicContact CB-CB 4.14Å; A200-V262 HydrophobicContact CB-CG2 3.99Å | ||
| 201 | S | 96.4 | Very high | 93.3 | Very high | 49 Ų | 49 | 61.3 Ų | 61.3 | 34% | 0.343 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 117.4 | 169.1 | -61.1 | 0 | 0 | 0 | 0 | 109.3 | C260 I261 | S201-C260 WeakPolarHBondContact O-CA 3.31Å; S201-I261 PolarHBondContact O-N 2.04Å |
| 202 | C | 97.3 | Very high | 93.6 | Very high | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.02 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 141.2 | 179.9 | -64.4 | 0 | 0 | 0 | 0 | 111.2 | P196 I218 V219 I221 V259 C260 | P196-C202 VanDerWaalsContact CB-SG 3.53Å; C202-I218 WeakPolarHBondContact O-CA 3.3Å; C202-V219 HydrophobicContact CB-CG2 3.85Å; C202-V219 PolarHBondContact O-N 2.9Å; C202-I221 HydrophobicContact CB-CD1 4.3Å; C202-I221 HydrophobicContact CB-CG1 4.47Å; C202-V259 CarbonylContact C-O 3.51Å; C202-V259 WeakPolarHBondContact CA-O 3.5Å; C202-C260 HydrophobicContact CB-CB 4.1Å; C202-C260 WeakPolarHBondContact CB-SG 3.34Å; C202-C260 WeakPolarHBondContact SG-CB 3.21Å; C202-C260 CovalentContact SG-SG 2.04Å; C202-C260 PolarHBondContact SG-SG 2.52Å |
| 203 | Y | 97.1 | Very high | 94.1 | Very high | 15 Ų | 15 | 51.7 Ų | 51.7 | 6% | 0.059 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 146.4 | -178.5 | -58.2 | -89.8 | 0 | 0 | 0 | 110 | V69 F78 E217 I218 M258 V259 I261 | V69-Y203 HydrophobicContact CB-CD1 4.34Å; V69-Y203 HydrophobicContact CB-CE1 3.76Å; V69-Y203 HydrophobicContact CG1-CD1 3.75Å; V69-Y203 HydrophobicContact CG1-CE1 3.67Å; V69-Y203 HydrophobicContact CG1-CE2 4.46Å; V69-Y203 HydrophobicContact CG1-CG 4.19Å; V69-Y203 HydrophobicContact CG2-CE1 4.07Å; V69-Y203 HydrophobicContact CG2-CE2 4.38Å; F78-Y203 HydrophobicContact CE2-CD2 4.48Å; F78-Y203 HydrophobicContact CE2-CG 4.31Å; F78-Y203 HydrophobicContact CZ-CD2 4.32Å; F78-Y203 HydrophobicContact CZ-CG 4.48Å; Y203-E217 CarbonylContact C-O 3.56Å; Y203-E217 VanDerWaalsContact CA-O 3.23Å; Y203-E217 WeakPolarHBondContact CA-O 3.43Å; Y203-I218 HydrophobicContact CD1-CB 4.07Å; Y203-I218 HydrophobicContact CE1-CB 3.91Å; Y203-I218 HydrophobicContact CE1-CD1 4.49Å; Y203-I218 HydrophobicContact CE1-CG1 4.17Å; Y203-M258 WeakPolarHBondContact O-CA 3.45Å; Y203-V259 PolarHBondContact N-O 2.84Å; Y203-V259 PolarHBondContact O-N 2.87Å; Y203-I261 HydrophobicContact CD2-CD1 4.47Å; Y203-I261 HydrophobicContact CE2-CD1 3.88Å; Y203-I261 HydrophobicContact CE2-CG1 4.37Å |
| 204 | V | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 139.7 | 167.5 | 68.9 | 0 | 0 | 0 | 0 | 109.9 | E216 E217 V219 Q253 Y291 | V204-E216 WeakPolarHBondContact O-CA 3.47Å; V204-E217 HydrophobicContact CG1-CB 4.21Å; V204-E217 PolarHBondContact N-O 3.37Å; V204-E217 PolarHBondContact O-N 3.31Å; V204-V219 HydrophobicContact CB-CG1 4.08Å; V204-V219 HydrophobicContact CG1-CG1 3.52Å; V204-Q253 HydrophobicContact CG2-CG 3.84Å; V204-Y291 HydrophobicContact CB-CE1 4.39Å; V204-Y291 WeakPolarHBondContact CB-OH 3.29Å; V204-Y291 HydrophobicContact CG2-CE1 3.87Å; V204-Y291 WeakPolarHBondContact CG2-OH 3.42Å |
| 205 | T | 96.8 | Very high | 95 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 140.7 | 175.9 | -55.4 | 0 | 0 | 0 | 0 | 110.6 | N81 I95 I214 D215 S256 | N81-T205 HydrophobicContact CB-CG2 4.28Å; N81-T205 VanDerWaalsContact ND2-CG2 3.33Å; N81-T205 WeakPolarHBondContact ND2-CG2 3.04Å; N81-T205 PolarHBondContact ND2-OG1 3.36Å; N81-T205 PolarHBondContact OD1-OG1 3.08Å; I95-T205 HydrophobicContact CG2-CG2 3.87Å; T205-I214 HydrophobicContact CG2-CG2 3.31Å; T205-D215 WeakPolarHBondContact CA-O 3.46Å; T205-S256 WeakPolarHBondContact O-CB 3.33Å; T205-S256 PolarHBondContact O-OG 3.33Å |
| 206 | H | 96.4 | Very high | 95.2 | Very high | 7 Ų | 7 | 45.4 Ų | 45.4 | 3% | 0.032 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 157.4 | 169.4 | 62.8 | 36 | 0 | 0 | 0 | 111.1 | I214 D215 E217 Y251 I252 | H206-I214 VanDerWaalsContact O-CA 3.27Å; H206-I214 WeakPolarHBondContact O-CA 3.34Å; H206-D215 IonicContact CE1-OD2 3.78Å; H206-D215 PolarHBondContact N-O 3.06Å; H206-D215 PolarHBondContact ND1-O 2.05Å; H206-D215 PolarHBondContact O-N 3.02Å; H206-E217 IonicContact CD2-OE2 3.72Å; H206-Y251 HydrophobicContact CB-CD2 4.27Å; H206-Y251 HydrophobicContact CB-CG 4.32Å; H206-Y251 AromaticContact CD2-CD2 3.19Å; H206-Y251 WeakPolarHBondContact CD2-CD2 3.39Å; H206-Y251 AromaticContact CD2-CE2 3.1Å; H206-Y251 WeakPolarHBondContact CD2-CE2 3.5Å; H206-Y251 AromaticContact CD2-CG 3.91Å; H206-Y251 AromaticContact CD2-CZ 3.74Å; H206-Y251 AromaticContact CE1-CE2 3.87Å; H206-Y251 AromaticContact CE1-CZ 3.69Å; H206-Y251 AromaticContact CG-CD2 3.8Å; H206-Y251 AromaticContact NE2-CD2 3.62Å; H206-Y251 AromaticContact NE2-CE1 3.98Å; H206-Y251 AromaticContact NE2-CE2 3Å; H206-Y251 WeakPolarHBondContact NE2-CE2 3.43Å; H206-Y251 AromaticContact NE2-CZ 3.19Å; H206-Y251 PolarHBondContact NE2-OH 3.43Å; H206-I252 CarbonylContact C-O 3.57Å; H206-I252 WeakPolarHBondContact CA-O 3.36Å |
| 207 | Y | 97.1 | Very high | 95.1 | Very high | 8 Ų | 8 | 47.5 Ų | 47.5 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 122.7 | 166.2 | 169.5 | -91.3 | 0 | 0 | 0 | 110.6 | I83 T92 F138 R209 H212 R213 I214 Y251 I252 | I83-Y207 HydrophobicContact CD1-CD2 4.25Å; T92-Y207 HydrophobicContact CG2-CD1 3.96Å; T92-Y207 HydrophobicContact CG2-CE1 4.35Å; T92-Y207 HydrophobicContact CG2-CG 4.12Å; F138-Y207 HydrophobicContact CB-CE2 4.18Å; F138-Y207 HydrophobicContact CD1-CE2 4.43Å; F138-Y207 WeakPolarHBondContact O-CE2 3.29Å; F138-Y207 PolarHBondContact O-OH 2.89Å; Y207-R209 HydrophobicContact CD1-CG 4.28Å; Y207-R209 HydrophobicContact CE1-CG 4.08Å; Y207-H212 PolarHBondContact OH-ND1 2.91Å; Y207-H212 VanDerWaalsContact OH-ND1 3.17Å; Y207-R213 CarbonylContact C-O 3.6Å; Y207-R213 WeakPolarHBondContact CA-O 3.13Å; Y207-R213 WeakPolarHBondContact CD2-O 3.37Å; Y207-I214 HydrophobicContact CD2-CG1 4.42Å; Y207-Y251 WeakPolarHBondContact O-CA 3.23Å; Y207-I252 HydrophobicContact CD1-CB 4.39Å; Y207-I252 HydrophobicContact CD1-CD1 3.56Å; Y207-I252 HydrophobicContact CD1-CG1 4.08Å; Y207-I252 HydrophobicContact CE1-CD1 4.11Å; Y207-I252 PolarHBondContact N-O 3.35Å; Y207-I252 PolarHBondContact O-N 3.08Å |
| 208 | D | 95.6 | Very high | 95.1 | Very high | 6 Ų | 6 | 51.4 Ų | 51.4 | 3% | 0.032 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 119.6 | 172.8 | -168.3 | -32.6 | 0 | 0 | 0 | 110.3 | H210 E211 H212 R213 H250 Y251 | D208-H210 WeakPolarHBondContact OD1-CA 3.39Å; D208-H210 WeakPolarHBondContact OD1-CB 3.28Å; D208-H210 IonicContact OD1-CG 3.13Å; D208-H210 PolarHBondContact OD1-N 2.91Å; D208-E211 HydrophobicContact CB-CB 4.12Å; D208-E211 PolarHBondContact OD1-N 2.83Å; D208-E211 VanDerWaalsContact OD1-N 3.16Å; D208-H212 VanDerWaalsContact O-CA 3.28Å; D208-H212 WeakPolarHBondContact O-CA 3.43Å; D208-H212 PolarHBondContact O-N 3.03Å; D208-R213 PolarHBondContact N-O 3.31Å; D208-R213 PolarHBondContact O-N 2.98Å; D208-H250 IonicContact OD1-CD2 2.69Å; D208-H250 PolarHBondContact OD1-CD2 2.93Å; D208-H250 IonicContact OD2-CD2 3.45Å; D208-H250 IonicContact OD2-NE2 3.71Å; D208-Y251 HydrophobicContact CB-CD1 4.28Å; D208-Y251 HydrophobicContact CB-CE1 4.06Å; D208-Y251 WeakPolarHBondContact OD2-CE1 3.3Å |
| 209 | R | 94.5 | Very high | 95.3 | Very high | 103 Ų | 103 | 45 Ų | 45 | 39% | 0.389 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -27.6 | 177.6 | -72.5 | 177 | -174.7 | -77 | 2.4 | 114 | Y207 H212 H250 I252 | Y207-R209 HydrophobicContact CD1-CG 4.28Å; Y207-R209 HydrophobicContact CE1-CG 4.08Å; R209-H212 PolarHBondContact O-CE1 2.77Å; R209-H212 PolarHBondContact O-ND1 2.83Å; R209-H212 VanDerWaalsContact O-ND1 3.12Å; R209-H250 WeakPolarHBondContact CB-O 3.12Å; R209-H250 WeakPolarHBondContact CD-O 3.47Å; R209-H250 WeakPolarHBondContact CG-O 3.17Å; R209-H250 PolarHBondContact N-O 3.18Å; R209-I252 HydrophobicContact CG-CD1 4.1Å; R209-I252 HydrophobicContact CG-CG1 4.12Å; R209-I252 VanDerWaalsContact CZ-CG1 3.47Å; R209-I252 VanDerWaalsContact NH2-CG1 3.33Å |
| 210 | H | 93.9 | Very high | 95.4 | Very high | 136 Ų | 136 | 44.7 Ų | 44.7 | 63% | 0.63 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -48 | 179.2 | -62.5 | -50.5 | 0 | 0 | 0 | 110.4 | D208 H212 H250 | D208-H210 WeakPolarHBondContact OD1-CA 3.39Å; D208-H210 WeakPolarHBondContact OD1-CB 3.28Å; D208-H210 IonicContact OD1-CG 3.13Å; D208-H210 PolarHBondContact OD1-N 2.91Å; H210-H212 VanDerWaalsContact C-N 3.34Å; H210-H250 WeakPolarHBondContact CD2-CB 3.36Å; H210-H250 AromaticContact CD2-CD2 3.57Å; H210-H250 AromaticContact CD2-CG 3.31Å; H210-H250 AromaticContact CD2-ND1 3.78Å; H210-H250 WeakPolarHBondContact NE2-CB 3.31Å; H210-H250 AromaticContact NE2-CG 3.55Å; H210-H250 AromaticContact NE2-ND1 3.86Å |
| 211 | E | 93.7 | Very high | 95.2 | Very high | 121 Ų | 121 | 46.1 Ų | 46.1 | 57% | 0.565 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -9.6 | -178 | -62 | -169.7 | -175.3 | 0 | 0 | 113.6 | D208 R213 | D208-E211 HydrophobicContact CB-CB 4.12Å; D208-E211 PolarHBondContact OD1-N 2.83Å; D208-E211 VanDerWaalsContact OD1-N 3.16Å; E211-R213 VanDerWaalsContact C-N 3.27Å; E211-R213 HydrophobicContact CB-CG 3.72Å; E211-R213 PolarHBondContact O-N 3.15Å; E211-R213 WeakPolarHBondContact OE2-CD 3.37Å |
| 212 | H | 95 | Very high | 94.8 | Very high | 85 Ų | 85 | 45.2 Ų | 45.2 | 39% | 0.394 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 40.3 | -178.9 | -65.5 | -39.1 | 0 | 0 | 0 | 113.3 | R137 F138 Y207 D208 R209 H210 | R137-H212 WeakPolarHBondContact CA-O 3.44Å; F138-H212 CarbonylContact C-O 3.46Å; F138-H212 PolarHBondContact N-O 2.93Å; F138-H212 WeakPolarHBondContact O-CB 3.45Å; Y207-H212 PolarHBondContact OH-ND1 2.91Å; Y207-H212 VanDerWaalsContact OH-ND1 3.17Å; D208-H212 VanDerWaalsContact O-CA 3.28Å; D208-H212 WeakPolarHBondContact O-CA 3.43Å; D208-H212 PolarHBondContact O-N 3.03Å; R209-H212 PolarHBondContact O-CE1 2.77Å; R209-H212 PolarHBondContact O-ND1 2.83Å; R209-H212 VanDerWaalsContact O-ND1 3.12Å; H210-H212 VanDerWaalsContact C-N 3.34Å |
| 213 | R | 94.6 | Very high | 94 | Very high | 35 Ų | 35 | 57.4 Ų | 57.4 | 13% | 0.132 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 159.9 | -177.3 | 65.2 | 179.8 | -66.1 | 164.7 | -10.8 | 112.9 | Q75 P136 Y207 D208 E211 D215 | Q75-R213 VanDerWaalsContact CA-NH2 3.34Å; Q75-R213 PolarHBondContact O-NH2 3.08Å; Q75-R213 VanDerWaalsContact O-NH2 3.15Å; P136-R213 CarbonylContact O-C 3.56Å; P136-R213 WeakPolarHBondContact O-CA 3.44Å; Y207-R213 CarbonylContact C-O 3.6Å; Y207-R213 WeakPolarHBondContact CA-O 3.13Å; Y207-R213 WeakPolarHBondContact CD2-O 3.37Å; D208-R213 PolarHBondContact N-O 3.31Å; D208-R213 PolarHBondContact O-N 2.98Å; E211-R213 VanDerWaalsContact C-N 3.27Å; E211-R213 HydrophobicContact CB-CG 3.72Å; E211-R213 PolarHBondContact O-N 3.15Å; E211-R213 WeakPolarHBondContact OE2-CD 3.37Å; R213-D215 IonicContact CZ-OD1 3.04Å; R213-D215 IonicContact NE-OD1 3.82Å; R213-D215 PolarHBondContact NE-OD1 2.56Å; R213-D215 IonicContact NE-OD2 2.75Å; R213-D215 PolarHBondContact NE-OD2 2.81Å; R213-D215 IonicContact NH2-OD1 2.68Å; R213-D215 PolarHBondContact NH2-OD1 2.8Å |
| 214 | I | 94.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 138.8 | 165.5 | -74.1 | 171.4 | 0 | 0 | 0 | 108.6 | M77 N81 I83 P136 T205 H206 Y207 | M77-I214 HydrophobicContact CB-CB 4.07Å; M77-I214 HydrophobicContact CB-CG2 3.6Å; M77-I214 HydrophobicContact SD-CB 4.2Å; M77-I214 HydrophobicContact SD-CD1 3.53Å; M77-I214 VanDerWaalsContact SD-CD1 3.53Å; M77-I214 HydrophobicContact SD-CG1 4.44Å; M77-I214 HydrophobicContact SD-CG2 4.33Å; N81-I214 HydrophobicContact CB-CD1 4.31Å; I83-I214 HydrophobicContact CD1-CD1 3.58Å; I83-I214 HydrophobicContact CD1-CG1 3.99Å; I83-I214 HydrophobicContact CG1-CD1 3.36Å; I83-I214 HydrophobicContact CG1-CG1 4.13Å; P136-I214 PolarHBondContact O-N 3.37Å; T205-I214 HydrophobicContact CG2-CG2 3.31Å; H206-I214 VanDerWaalsContact O-CA 3.27Å; H206-I214 WeakPolarHBondContact O-CA 3.34Å; Y207-I214 HydrophobicContact CD2-CG1 4.42Å |
| 215 | D | 92.8 | Very high | 92.8 | Very high | 27 Ų | 27 | 63.8 Ų | 63.8 | 14% | 0.144 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 172.6 | 162.5 | -45.8 | -72.4 | 0 | 0 | 0 | 111.2 | T205 H206 R213 | T205-D215 WeakPolarHBondContact CA-O 3.46Å; H206-D215 IonicContact CE1-OD2 3.78Å; H206-D215 PolarHBondContact N-O 3.06Å; H206-D215 PolarHBondContact ND1-O 2.05Å; H206-D215 PolarHBondContact O-N 3.02Å; R213-D215 IonicContact CZ-OD1 3.04Å; R213-D215 IonicContact NE-OD1 3.82Å; R213-D215 PolarHBondContact NE-OD1 2.56Å; R213-D215 IonicContact NE-OD2 2.75Å; R213-D215 PolarHBondContact NE-OD2 2.81Å; R213-D215 IonicContact NH2-OD1 2.68Å; R213-D215 PolarHBondContact NH2-OD1 2.8Å |
| 216 | E | 94.9 | Very high | 92.3 | Very high | 29 Ų | 29 | 69 Ų | 69 | 14% | 0.136 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 128.5 | -176.6 | -70.3 | 65.5 | -157.8 | 0 | 0 | 109.6 | V69 M77 F78 N81 V204 | V69-E216 HydrophobicContact CG1-CB 3.95Å; V69-E216 HydrophobicContact CG1-CG 4.28Å; M77-E216 VanDerWaalsContact CA-OE1 3.23Å; M77-E216 WeakPolarHBondContact CA-OE1 3.49Å; F78-E216 HydrophobicContact CD2-CG 3.38Å; F78-E216 HydrophobicContact CE2-CB 4.29Å; F78-E216 HydrophobicContact CE2-CG 3.43Å; F78-E216 VanDerWaalsContact CE2-CG 3.43Å; F78-E216 HydrophobicContact CG-CG 4.25Å; F78-E216 HydrophobicContact CZ-CG 4.31Å; F78-E216 PolarHBondContact N-OE1 3.26Å; N81-E216 PolarHBondContact ND2-OE1 2.88Å; V204-E216 WeakPolarHBondContact O-CA 3.47Å |
| 217 | E | 93.7 | Very high | 91.8 | Very high | 51 Ų | 51 | 69.8 Ų | 69.8 | 24% | 0.238 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 130.7 | 175.6 | -173.1 | 171.1 | -178.9 | 0 | 0 | 109.2 | Y203 V204 H206 | Y203-E217 CarbonylContact C-O 3.56Å; Y203-E217 VanDerWaalsContact CA-O 3.23Å; Y203-E217 WeakPolarHBondContact CA-O 3.43Å; V204-E217 HydrophobicContact CG1-CB 4.21Å; V204-E217 PolarHBondContact N-O 3.37Å; V204-E217 PolarHBondContact O-N 3.31Å; H206-E217 IonicContact CD2-OE2 3.72Å |
| 218 | I | 94.9 | Very high | 90.9 | Very high | 111 Ų | 111 | 72.2 Ų | 72.2 | 57% | 0.569 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 134 | 173.8 | -170.6 | 169.3 | 0 | 0 | 0 | 109.7 | C202 Y203 | C202-I218 WeakPolarHBondContact O-CA 3.3Å; Y203-I218 HydrophobicContact CD1-CB 4.07Å; Y203-I218 HydrophobicContact CE1-CB 3.91Å; Y203-I218 HydrophobicContact CE1-CD1 4.49Å; Y203-I218 HydrophobicContact CE1-CG1 4.17Å |
| 219 | V | 95.6 | Very high | 89.7 | Confident | 5 Ų | 5 | 72.4 Ų | 72.4 | 3% | 0.03 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 138 | 178.5 | -61 | 0 | 0 | 0 | 0 | 110.7 | C202 V204 A243 E245 M258 | C202-V219 HydrophobicContact CB-CG2 3.85Å; C202-V219 PolarHBondContact O-N 2.9Å; V204-V219 HydrophobicContact CB-CG1 4.08Å; V204-V219 HydrophobicContact CG1-CG1 3.52Å; V219-A243 HydrophobicContact CB-CB 3.85Å; V219-A243 HydrophobicContact CG2-CB 4Å; V219-E245 HydrophobicContact CG1-CB 4.15Å; V219-M258 HydrophobicContact CG2-CG 4.44Å |
| 220 | M | 94.4 | Very high | 88.2 | Confident | 129 Ų | 129 | 68.2 Ų | 68.2 | 64% | 0.635 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 120.9 | 179 | -64.5 | -176.3 | -76.9 | 0 | 0 | 110.2 | A243 V244 | M220-A243 CarbonylContact O-C 3.49Å; M220-A243 VanDerWaalsContact O-CA 3.26Å; M220-A243 WeakPolarHBondContact O-CA 3.48Å; M220-V244 HydrophobicContact CB-CB 4.41Å; M220-V244 HydrophobicContact CE-CG1 4.5Å; M220-V244 PolarHBondContact O-N 3.43Å |
| 221 | I | 93.3 | Very high | 86.5 | Confident | 46 Ų | 46 | 68.6 Ų | 68.6 | 24% | 0.236 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 134.5 | 174.6 | -52.3 | -55.8 | 0 | 0 | 0 | 109.1 | P196 C202 A225 I241 A243 M258 | P196-I221 HydrophobicContact CB-CG1 4.13Å; P196-I221 HydrophobicContact CG-CD1 4.13Å; P196-I221 HydrophobicContact CG-CG1 4.05Å; C202-I221 HydrophobicContact CB-CD1 4.3Å; C202-I221 HydrophobicContact CB-CG1 4.47Å; I221-A225 HydrophobicContact CG2-CB 3.42Å; I221-A225 VanDerWaalsContact CG2-CB 3.42Å; I221-I241 HydrophobicContact CD1-CG2 4.29Å; I221-I241 HydrophobicContact CG2-CG2 4.39Å; I221-A243 HydrophobicContact CD1-CB 4Å; I221-M258 HydrophobicContact CD1-CE 4.29Å; I221-M258 HydrophobicContact CD1-SD 3.62Å |
| 222 | T | 86.7 | Confident | 84.6 | Confident | 31 Ų | 31 | 66.3 Ų | 66.3 | 19% | 0.19 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 151.2 | 177.1 | 47.6 | 0 | 0 | 0 | 0 | 110.9 | N224 A225 C242 V244 L288 | T222-N224 CarbonylContact O-C 3.31Å; T222-N224 VanDerWaalsContact O-C 3.31Å; T222-N224 PolarHBondContact O-N 3.11Å; T222-N224 PolarHBondContact OG1-O 3.19Å; T222-A225 WeakPolarHBondContact O-CA 3.1Å; T222-A225 PolarHBondContact O-N 3.5Å; T222-C242 PolarHBondContact N-O 2.72Å; T222-C242 PolarHBondContact OG1-O 2.96Å; T222-V244 HydrophobicContact CG2-CG2 3.85Å; T222-L288 HydrophobicContact CG2-CD2 4.05Å |
| 223 | R | 81.8 | Confident | 82.7 | Confident | 258 Ų | 258 | 62.6 Ų | 62.6 | 97% | 0.974 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -50.3 | -45.9 | 176.6 | -70.2 | -174.4 | -179 | -134.2 | 1.9 | 111.9 | A225 | R223-A225 PolarHBondContact O-N 3.23Å |
| 224 | N | 82.9 | Confident | 80.6 | Confident | 137 Ų | 137 | 68.6 Ų | 68.6 | 73% | 0.733 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 88.2 | 162.8 | -68.5 | -23.7 | 0 | 0 | 0 | 108 | T222 R226 | T222-N224 CarbonylContact O-C 3.31Å; T222-N224 VanDerWaalsContact O-C 3.31Å; T222-N224 PolarHBondContact O-N 3.11Å; T222-N224 PolarHBondContact OG1-O 3.19Å; N224-R226 PolarHBondContact O-N 3.4Å |
| 225 | A | 84.8 | Confident | 78.8 | Confident | 13 Ų | 13 | 69.8 Ų | 69.8 | 11% | 0.107 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | -33.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112 | V195 I221 T222 R223 I241 C242 | V195-A225 HydrophobicContact CB-CB 3.99Å; V195-A225 HydrophobicContact CG1-CB 4Å; V195-A225 HydrophobicContact CG2-CB 4.38Å; I221-A225 HydrophobicContact CG2-CB 3.42Å; I221-A225 VanDerWaalsContact CG2-CB 3.42Å; T222-A225 WeakPolarHBondContact O-CA 3.1Å; T222-A225 PolarHBondContact O-N 3.5Å; R223-A225 PolarHBondContact O-N 3.23Å; A225-I241 CarbonylContact O-C 3.56Å; A225-I241 VanDerWaalsContact O-CA 3.26Å; A225-I241 WeakPolarHBondContact O-CA 3.35Å; A225-C242 PolarHBondContact O-N 2.89Å |
| 226 | R | 87.9 | Confident | 77.2 | Confident | 109 Ų | 109 | 72.3 Ų | 72.3 | 41% | 0.411 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 131.1 | 178.7 | -66.1 | -172.9 | 175.9 | -133.5 | 10.3 | 110.9 | E193 V195 N224 G240 | E193-R226 PolarHBondContact O-NH2 3.03Å; V195-R226 HydrophobicContact CG1-CG 4.04Å; N224-R226 PolarHBondContact O-N 3.4Å; R226-G240 WeakPolarHBondContact CA-O 3.32Å |
| 227 | C | 84.6 | Confident | 75.5 | Confident | 24 Ų | 24 | 73.3 Ų | 73.3 | 16% | 0.162 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 163.7 | 175.8 | 64.6 | 0 | 0 | 0 | 0 | 110.8 | R239 G240 C242 | C227-R239 WeakPolarHBondContact O-CA 3.49Å; C227-G240 PolarHBondContact N-O 2.94Å; C227-G240 VanDerWaalsContact N-O 3.16Å; C227-G240 PolarHBondContact O-N 3.37Å; C227-C242 HydrophobicContact CB-CB 3.64Å; C227-C242 WeakPolarHBondContact CB-SG 3.29Å; C227-C242 VanDerWaalsContact SG-CA 3.59Å; C227-C242 WeakPolarHBondContact SG-CB 3.23Å; C227-C242 PolarHBondContact SG-N 2.89Å; C227-C242 VanDerWaalsContact SG-N 3.37Å; C227-C242 CovalentContact SG-SG 2.01Å; C227-C242 PolarHBondContact SG-SG 2.96Å |
| 228 | L | 78.4 | Confident | 74 | Confident | 59 Ų | 59 | 71.2 Ų | 71.2 | 31% | 0.309 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 140.1 | 174.6 | -60.4 | 165.9 | 0 | 0 | 0 | 109.1 | A230 S233 F238 R239 | L228-A230 VanDerWaalsContact CB-O 3.26Å; L228-A230 WeakPolarHBondContact CB-O 3.46Å; L228-A230 PolarHBondContact O-N 2.92Å; L228-S233 WeakPolarHBondContact CD1-O 3.33Å; L228-F238 WeakPolarHBondContact CA-O 3.49Å; L228-F238 HydrophobicContact CB-CB 4.34Å; L228-F238 HydrophobicContact CD2-CB 3.7Å; L228-R239 HydrophobicContact CD2-CG 3.98Å |
| 229 | A | 69.6 | Low | 73.2 | Confident | 11 Ų | 11 | 72.1 Ų | 72.1 | 9% | 0.091 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -64.2 | -22.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | W160 F238 L276 F290 | W160-A229 HydrophobicContact CH2-CB 3.98Å; W160-A229 WeakPolarHBondContact CH2-O 3.12Å; W160-A229 HydrophobicContact CZ3-CB 3.51Å; A229-F238 PolarHBondContact N-O 3.45Å; A229-L276 WeakPolarHBondContact O-CD2 3.22Å; A229-F290 HydrophobicContact CB-CD1 4.41Å; A229-F290 HydrophobicContact CB-CD2 4.22Å; A229-F290 HydrophobicContact CB-CE1 4Å; A229-F290 HydrophobicContact CB-CE2 3.77Å; A229-F290 HydrophobicContact CB-CZ 3.66Å |
| 230 | A | 63.9 | Low | 72.9 | Confident | 14 Ų | 14 | 72 Ų | 72 | 12% | 0.116 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -126.7 | 136.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | W160 L228 S233 | W160-A230 HydrophobicContact CH2-CB 3.75Å; W160-A230 HydrophobicContact CZ2-CB 3.7Å; W160-A230 HydrophobicContact CZ3-CB 4.44Å; L228-A230 VanDerWaalsContact CB-O 3.26Å; L228-A230 WeakPolarHBondContact CB-O 3.46Å; L228-A230 PolarHBondContact O-N 2.92Å; A230-S233 PolarHBondContact O-OG 3.35Å |
| 231 | Q | 58.4 | Low | 72.8 | Confident | 145 Ų | 145 | 66 Ų | 66 | 68% | 0.678 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | 137.7 | 168.1 | -73.2 | 179.6 | -30.7 | 0 | 0 | 109.2 | S233 | Q231-S233 PolarHBondContact O-N 3.17Š|
| 232 | G | 54.4 | Low | 72.8 | Confident | 73 Ų | 73 | 63.8 Ų | 63.8 | 75% | 0.753 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.3 | -11.6 | 178 | 0 | 0 | 0 | 0 | 0 | 116 | N234 | G232-N234 PolarHBondContact O-N 2.93Š|
| 233 | S | 53.3 | Low | 73.2 | Confident | 7 Ų | 7 | 62.3 Ų | 62.3 | 5% | 0.049 | 32% | 0.322 | C | S | . | . | trans | -85.4 | 108 | 178.6 | 68.8 | 0 | 0 | 0 | 0 | 111.8 | L228 A230 Q231 A235 F238 | L228-S233 WeakPolarHBondContact CD1-O 3.33Å; A230-S233 PolarHBondContact O-OG 3.35Å; Q231-S233 PolarHBondContact O-N 3.17Å; S233-A235 PolarHBondContact O-N 2.87Å; S233-A235 VanDerWaalsContact O-N 3.09Å; S233-F238 VanDerWaalsContact OG-CD2 3.24Å; S233-F238 WeakPolarHBondContact OG-CD2 3.2Å | ||
| 234 | N | 51.5 | Low | 73.7 | Confident | 161 Ų | 161 | 52 Ų | 52 | 86% | 0.861 | 29% | 0.287 | S | S | * | . | trans | -72.5 | 6.3 | 173.6 | -84 | -18.8 | 0 | 0 | 0 | 114.4 | G232 P236 | G232-N234 PolarHBondContact O-N 2.93Å; N234-P236 WeakPolarHBondContact O-CD 3.48Å | ||
| 235 | A | 57 | Low | 74.1 | Confident | 25 Ų | 25 | 45.8 Ų | 45.8 | 21% | 0.207 | 25% | 0.254 | C | S | . | . | trans | -82.4 | 124.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 112 | S233 Q237 F238 | S233-A235 PolarHBondContact O-N 2.87Å; S233-A235 VanDerWaalsContact O-N 3.09Å; A235-Q237 HydrophobicContact CB-CG 4.13Å; A235-Q237 PolarHBondContact O-N 3.08Å; A235-F238 HydrophobicContact CB-CD2 3.39Å; A235-F238 HydrophobicContact CB-CE2 3.32Å; A235-F238 VanDerWaalsContact O-CD2 3.27Å; A235-F238 WeakPolarHBondContact O-CD2 3Å; A235-F238 PolarHBondContact O-N 3.14Å; A235-F238 VanDerWaalsContact O-N 3.09Å | ||
| 236 | P | 59.1 | Low | 74.1 | Confident | 81 Ų | 81 | 52 Ų | 52 | 53% | 0.526 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -53.7 | -28.5 | -176.2 | -26.1 | 32.7 | 0 | 0 | 0 | 114.5 | N234 F238 R239 | N234-P236 WeakPolarHBondContact O-CD 3.48Å; P236-F238 PolarHBondContact O-N 3.38Å; P236-R239 WeakPolarHBondContact O-CB 3.44Å; P236-R239 WeakPolarHBondContact O-CG 3.4Å; P236-R239 PolarHBondContact O-N 3.16Å |
| 237 | Q | 59.6 | Low | 74.1 | Confident | 50 Ų | 50 | 50.1 Ų | 50.1 | 23% | 0.234 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -63.8 | -23.6 | -179.3 | 62.2 | -97.2 | 38.4 | 0 | 0 | 114.6 | P159 A235 R239 K292 | P159-Q237 HydrophobicContact CB-CB 4.47Å; P159-Q237 HydrophobicContact CB-CG 3.85Å; P159-Q237 HydrophobicContact CG-CB 3.85Å; P159-Q237 HydrophobicContact CG-CG 3.78Å; A235-Q237 HydrophobicContact CB-CG 4.13Å; A235-Q237 PolarHBondContact O-N 3.08Å; Q237-R239 PolarHBondContact O-N 3.44Å; Q237-K292 PolarHBondContact O-NZ 3.28Å |
| 238 | F | 61.5 | Low | 74.3 | Confident | 7 Ų | 7 | 53.7 Ų | 53.7 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -79.6 | -5.7 | -179.3 | -66.4 | -69.8 | 0 | 0 | 0 | 113.6 | P159 W160 L228 A229 S233 A235 P236 G240 | P159-F238 WeakPolarHBondContact O-CE1 3.1Å; P159-F238 WeakPolarHBondContact O-CZ 3.19Å; W160-F238 VanDerWaalsContact CA-CE1 3.49Å; W160-F238 VanDerWaalsContact CA-CZ 3.44Å; W160-F238 HydrophobicContact CB-CE1 4.25Å; W160-F238 AromaticContact CD2-CE1 3.83Å; W160-F238 HydrophobicContact CD2-CE1 3.83Å; W160-F238 AromaticContact CE3-CD1 3.97Å; W160-F238 HydrophobicContact CE3-CD1 3.97Å; W160-F238 AromaticContact CE3-CE1 3.49Å; W160-F238 HydrophobicContact CE3-CE1 3.49Å; W160-F238 VanDerWaalsContact CE3-CE1 3.49Å; W160-F238 HydrophobicContact CG-CE1 4.18Å; W160-F238 HydrophobicContact CZ3-CD1 4.23Å; W160-F238 HydrophobicContact CZ3-CE1 4.14Å; L228-F238 WeakPolarHBondContact CA-O 3.49Å; L228-F238 HydrophobicContact CB-CB 4.34Å; L228-F238 HydrophobicContact CD2-CB 3.7Å; A229-F238 PolarHBondContact N-O 3.45Å; S233-F238 VanDerWaalsContact OG-CD2 3.24Å; S233-F238 WeakPolarHBondContact OG-CD2 3.2Å; A235-F238 HydrophobicContact CB-CD2 3.39Å; A235-F238 HydrophobicContact CB-CE2 3.32Å; A235-F238 VanDerWaalsContact O-CD2 3.27Å; A235-F238 WeakPolarHBondContact O-CD2 3Å; A235-F238 PolarHBondContact O-N 3.14Å; A235-F238 VanDerWaalsContact O-N 3.09Å; P236-F238 PolarHBondContact O-N 3.38Å; F238-G240 PolarHBondContact O-N 2.74Å |
| 239 | R | 79.3 | Confident | 74.9 | Confident | 130 Ų | 130 | 60.8 Ų | 60.8 | 49% | 0.491 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 120.7 | -177.7 | -67.5 | 178.3 | 178.8 | -171.1 | -1.1 | 110 | C227 L228 P236 Q237 K292 | C227-R239 WeakPolarHBondContact O-CA 3.49Å; L228-R239 HydrophobicContact CD2-CG 3.98Å; P236-R239 WeakPolarHBondContact O-CB 3.44Å; P236-R239 WeakPolarHBondContact O-CG 3.4Å; P236-R239 PolarHBondContact O-N 3.16Å; Q237-R239 PolarHBondContact O-N 3.44Å; R239-K292 PolarHBondContact O-NZ 2.86Å |
| 240 | G | 89 | Confident | 76 | Confident | 2 Ų | 2 | 62.6 Ų | 62.6 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | -167.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | R226 C227 F238 Y291 | R226-G240 WeakPolarHBondContact CA-O 3.32Å; C227-G240 PolarHBondContact N-O 2.94Å; C227-G240 VanDerWaalsContact N-O 3.16Å; C227-G240 PolarHBondContact O-N 3.37Å; F238-G240 PolarHBondContact O-N 2.74Å; G240-Y291 CarbonylContact C-O 3.49Å; G240-Y291 VanDerWaalsContact CA-O 3.28Å; G240-Y291 WeakPolarHBondContact CA-O 3Å |
| 241 | I | 92.7 | Very high | 77.5 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 133.5 | 169.5 | -59.8 | 164.5 | 0 | 0 | 0 | 107.3 | V195 I221 A225 M258 Y291 P293 | V195-I241 HydrophobicContact CG1-CD1 4.42Å; V195-I241 HydrophobicContact CG1-CG1 4.31Å; I221-I241 HydrophobicContact CD1-CG2 4.29Å; I221-I241 HydrophobicContact CG2-CG2 4.39Å; A225-I241 CarbonylContact O-C 3.56Å; A225-I241 VanDerWaalsContact O-CA 3.26Å; A225-I241 WeakPolarHBondContact O-CA 3.35Å; I241-M258 HydrophobicContact CB-CE 4.05Å; I241-M258 HydrophobicContact CD1-CE 3.84Å; I241-M258 HydrophobicContact CG2-CE 3.73Å; I241-M258 HydrophobicContact CG2-SD 4.35Å; I241-Y291 PolarHBondContact N-O 3.28Å; I241-Y291 WeakPolarHBondContact O-CB 2.97Å; I241-Y291 PolarHBondContact O-N 3.07Å; I241-P293 HydrophobicContact CD1-CG 4.09Å; I241-P293 HydrophobicContact CG1-CG 4.13Å |
| 242 | C | 92.4 | Very high | 79.4 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 140 | 173.4 | -81.7 | 0 | 0 | 0 | 0 | 111.2 | T222 A225 C227 L288 G289 | T222-C242 PolarHBondContact N-O 2.72Å; T222-C242 PolarHBondContact OG1-O 2.96Å; A225-C242 PolarHBondContact O-N 2.89Å; C227-C242 HydrophobicContact CB-CB 3.64Å; C227-C242 WeakPolarHBondContact CB-SG 3.29Å; C227-C242 VanDerWaalsContact SG-CA 3.59Å; C227-C242 WeakPolarHBondContact SG-CB 3.23Å; C227-C242 PolarHBondContact SG-N 2.89Å; C227-C242 VanDerWaalsContact SG-N 3.37Å; C227-C242 CovalentContact SG-SG 2.01Å; C227-C242 PolarHBondContact SG-SG 2.96Å; C242-L288 HydrophobicContact CB-CB 4.37Å; C242-L288 HydrophobicContact CB-CD1 3.96Å; C242-G289 VanDerWaalsContact CA-O 3.28Å; C242-G289 WeakPolarHBondContact CA-O 3.41Å |
| 243 | A | 94.6 | Very high | 81.4 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 145.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | V219 M220 I221 E245 L288 G289 Y291 | V219-A243 HydrophobicContact CB-CB 3.85Å; V219-A243 HydrophobicContact CG2-CB 4Å; M220-A243 CarbonylContact O-C 3.49Å; M220-A243 VanDerWaalsContact O-CA 3.26Å; M220-A243 WeakPolarHBondContact O-CA 3.48Å; I221-A243 HydrophobicContact CD1-CB 4Å; A243-E245 PolarHBondContact O-N 2.87Å; A243-L288 CarbonylContact O-C 3.53Å; A243-L288 VanDerWaalsContact O-CA 3.27Å; A243-L288 WeakPolarHBondContact O-CA 3.44Å; A243-G289 PolarHBondContact N-O 3.46Å; A243-G289 VanDerWaalsContact N-O 3.15Å; A243-G289 PolarHBondContact O-N 2.79Å; A243-Y291 HydrophobicContact CB-CD2 4.49Å; A243-Y291 HydrophobicContact CB-CE2 3.94Å |
| 244 | V | 92.7 | Very high | 83.5 | Confident | 41 Ų | 41 | 54.1 Ų | 54.1 | 25% | 0.248 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 115.5 | 172.8 | -174.7 | 0 | 0 | 0 | 0 | 107.8 | M220 T222 L288 | M220-V244 HydrophobicContact CB-CB 4.41Å; M220-V244 HydrophobicContact CE-CG1 4.5Å; M220-V244 PolarHBondContact O-N 3.43Å; T222-V244 HydrophobicContact CG2-CG2 3.85Å; V244-L288 HydrophobicContact CB-CD2 4.36Å; V244-L288 HydrophobicContact CG2-CD2 3.9Å |
| 245 | E | 91 | Very high | 85.7 | Confident | 7 Ų | 7 | 46.4 Ų | 46.4 | 3% | 0.033 | 22% | 0.22 | C | C | . | . | trans | -156.8 | 148.8 | 179.6 | 57.3 | 157 | 126.4 | 0 | 0 | 112 | V219 A243 Q253 Y272 Q275 K287 G289 Y291 | V219-E245 HydrophobicContact CG1-CB 4.15Å; A243-E245 PolarHBondContact O-N 2.87Å; E245-Q253 VanDerWaalsContact CD-NE2 3.32Å; E245-Q253 PolarHBondContact OE1-NE2 2.7Å; E245-Q253 VanDerWaalsContact OE1-NE2 3.16Å; E245-Q253 PolarHBondContact OE2-NE2 3.42Å; E245-Q253 PolarHBondContact OE2-OE1 3.32Å; E245-Y272 VanDerWaalsContact OE1-CE2 3.29Å; E245-Y272 WeakPolarHBondContact OE1-CE2 3.46Å; E245-Q275 PolarHBondContact O-NE2 3.09Å; E245-K287 PolarHBondContact N-O 3.5Å; E245-K287 CarbonylContact O-C 3.54Å; E245-K287 WeakPolarHBondContact O-CB 3.33Å; E245-G289 VanDerWaalsContact CG-N 3.29Å; E245-G289 WeakPolarHBondContact OE1-CA 3.26Å; E245-Y291 WeakPolarHBondContact OE1-CE2 3.34Å; E245-Y291 VanDerWaalsContact OE1-CZ 3.23Å; E245-Y291 PolarHBondContact OE1-OH 3Å | ||
| 246 | Q | 85.9 | Confident | 87.6 | Confident | 144 Ų | 144 | 45.2 Ų | 45.2 | 67% | 0.673 | 21% | 0.21 | S | C | * | . | trans | -117.8 | 79.5 | 177.6 | -65.8 | -164.3 | 45.7 | 0 | 0 | 110.9 | K248 | Q246-K248 PolarHBondContact O-N 3.42Š| ||
| 247 | K | 86.6 | Confident | 89.5 | Confident | 69 Ų | 69 | 41.4 Ų | 41.4 | 30% | 0.3 | 19% | 0.185 | S | C | . | . | trans | -52.6 | 123.2 | 174.1 | -179.8 | -175.9 | 168.9 | -163.5 | 0 | 112.4 | Y251 Q253 | K247-Y251 WeakPolarHBondContact CE-O 3.19Å; K247-Q253 HydrophobicContact CD-CB 4.34Å | ||
| 248 | K | 90.4 | Very high | 91.3 | Very high | 99 Ų | 99 | 39 Ų | 39 | 43% | 0.43 | 17% | 0.174 | S | C | . | . | trans | -74.3 | 151.1 | 172.4 | -54.4 | -174 | -165.5 | 163.7 | 0 | 111.7 | Q246 H250 Y251 | Q246-K248 PolarHBondContact O-N 3.42Å; K248-H250 VanDerWaalsContact C-N 3.33Å; K248-H250 PolarHBondContact O-N 2.93Å; K248-Y251 HydrophobicContact CB-CD1 4.25Å; K248-Y251 HydrophobicContact CB-CD2 3.74Å; K248-Y251 HydrophobicContact CB-CE1 4.43Å; K248-Y251 HydrophobicContact CB-CE2 3.95Å; K248-Y251 HydrophobicContact CB-CG 3.92Å; K248-Y251 HydrophobicContact CD-CD2 4.31Å; K248-Y251 HydrophobicContact CD-CE1 4.09Å; K248-Y251 HydrophobicContact CD-CE2 3.62Å; K248-Y251 WeakPolarHBondContact CE-OH 3.48Å; K248-Y251 HydrophobicContact CG-CD2 3.97Å; K248-Y251 HydrophobicContact CG-CE2 3.7Å; K248-Y251 PolarHBondContact NZ-OH 2.54Å; K248-Y251 WeakPolarHBondContact O-CB 3.34Å; K248-Y251 PolarHBondContact O-N 2.87Å; K248-Y251 VanDerWaalsContact O-N 3.15Å | ||
| 249 | K | 89.7 | Confident | 93 | Very high | 208 Ų | 208 | 38.7 Ų | 38.7 | 90% | 0.904 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -36.4 | -176.3 | -172.9 | 177.9 | -179.6 | 179.7 | 0 | 113.5 | Y251 | K249-Y251 VanDerWaalsContact C-N 3.29Å; K249-Y251 PolarHBondContact O-N 3.06Å |
| 250 | H | 93.1 | Very high | 93.9 | Very high | 50 Ų | 50 | 32.5 Ų | 32.5 | 23% | 0.231 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -8.2 | -179.1 | 53.7 | -89.9 | 0 | 0 | 0 | 113.5 | D208 R209 H210 K248 | D208-H250 IonicContact OD1-CD2 2.69Å; D208-H250 PolarHBondContact OD1-CD2 2.93Å; D208-H250 IonicContact OD2-CD2 3.45Å; D208-H250 IonicContact OD2-NE2 3.71Å; R209-H250 WeakPolarHBondContact CB-O 3.12Å; R209-H250 WeakPolarHBondContact CD-O 3.47Å; R209-H250 WeakPolarHBondContact CG-O 3.17Å; R209-H250 PolarHBondContact N-O 3.18Å; H210-H250 WeakPolarHBondContact CD2-CB 3.36Å; H210-H250 AromaticContact CD2-CD2 3.57Å; H210-H250 AromaticContact CD2-CG 3.31Å; H210-H250 AromaticContact CD2-ND1 3.78Å; H210-H250 WeakPolarHBondContact NE2-CB 3.31Å; H210-H250 AromaticContact NE2-CG 3.55Å; H210-H250 AromaticContact NE2-ND1 3.86Å; K248-H250 VanDerWaalsContact C-N 3.33Å; K248-H250 PolarHBondContact O-N 2.93Å |
| 251 | Y | 96.2 | Very high | 94.3 | Very high | 22 Ų | 22 | 33.5 Ų | 33.5 | 9% | 0.086 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 137.4 | 179.5 | -68.1 | -7.4 | 0 | 0 | 0 | 112.7 | H206 Y207 D208 K247 K248 K249 | H206-Y251 HydrophobicContact CB-CD2 4.27Å; H206-Y251 HydrophobicContact CB-CG 4.32Å; H206-Y251 AromaticContact CD2-CD2 3.19Å; H206-Y251 WeakPolarHBondContact CD2-CD2 3.39Å; H206-Y251 AromaticContact CD2-CE2 3.1Å; H206-Y251 WeakPolarHBondContact CD2-CE2 3.5Å; H206-Y251 AromaticContact CD2-CG 3.91Å; H206-Y251 AromaticContact CD2-CZ 3.74Å; H206-Y251 AromaticContact CE1-CE2 3.87Å; H206-Y251 AromaticContact CE1-CZ 3.69Å; H206-Y251 AromaticContact CG-CD2 3.8Å; H206-Y251 AromaticContact NE2-CD2 3.62Å; H206-Y251 AromaticContact NE2-CE1 3.98Å; H206-Y251 AromaticContact NE2-CE2 3Å; H206-Y251 WeakPolarHBondContact NE2-CE2 3.43Å; H206-Y251 AromaticContact NE2-CZ 3.19Å; H206-Y251 PolarHBondContact NE2-OH 3.43Å; Y207-Y251 WeakPolarHBondContact O-CA 3.23Å; D208-Y251 HydrophobicContact CB-CD1 4.28Å; D208-Y251 HydrophobicContact CB-CE1 4.06Å; D208-Y251 WeakPolarHBondContact OD2-CE1 3.3Å; K247-Y251 WeakPolarHBondContact CE-O 3.19Å; K248-Y251 HydrophobicContact CB-CD1 4.25Å; K248-Y251 HydrophobicContact CB-CD2 3.74Å; K248-Y251 HydrophobicContact CB-CE1 4.43Å; K248-Y251 HydrophobicContact CB-CE2 3.95Å; K248-Y251 HydrophobicContact CB-CG 3.92Å; K248-Y251 HydrophobicContact CD-CD2 4.31Å; K248-Y251 HydrophobicContact CD-CE1 4.09Å; K248-Y251 HydrophobicContact CD-CE2 3.62Å; K248-Y251 WeakPolarHBondContact CE-OH 3.48Å; K248-Y251 HydrophobicContact CG-CD2 3.97Å; K248-Y251 HydrophobicContact CG-CE2 3.7Å; K248-Y251 PolarHBondContact NZ-OH 2.54Å; K248-Y251 WeakPolarHBondContact O-CB 3.34Å; K248-Y251 PolarHBondContact O-N 2.87Å; K248-Y251 VanDerWaalsContact O-N 3.15Å; K249-Y251 VanDerWaalsContact C-N 3.29Å; K249-Y251 PolarHBondContact O-N 3.06Å |
| 252 | I | 96.9 | Very high | 94.5 | Very high | 8 Ų | 8 | 34.2 Ų | 34.2 | 4% | 0.041 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 116.1 | 167.2 | -53.3 | 176.5 | 0 | 0 | 0 | 108.2 | T92 K93 H206 Y207 R209 | T92-I252 HydrophobicContact CG2-CD1 3.58Å; T92-I252 HydrophobicContact CG2-CG2 4.45Å; K93-I252 VanDerWaalsContact O-CG2 3.29Å; K93-I252 WeakPolarHBondContact O-CG2 3.45Å; H206-I252 CarbonylContact C-O 3.57Å; H206-I252 WeakPolarHBondContact CA-O 3.36Å; Y207-I252 HydrophobicContact CD1-CB 4.39Å; Y207-I252 HydrophobicContact CD1-CD1 3.56Å; Y207-I252 HydrophobicContact CD1-CG1 4.08Å; Y207-I252 HydrophobicContact CE1-CD1 4.11Å; Y207-I252 PolarHBondContact N-O 3.35Å; Y207-I252 PolarHBondContact O-N 3.08Å; R209-I252 HydrophobicContact CG-CD1 4.1Å; R209-I252 HydrophobicContact CG-CG1 4.12Å; R209-I252 VanDerWaalsContact CZ-CG1 3.47Å; R209-I252 VanDerWaalsContact NH2-CG1 3.33Å |
| 253 | Q | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -131.3 | -3.9 | -176.3 | -167 | 179.4 | -20.5 | 0 | 0 | 112.6 | V204 E245 K247 G255 S256 Y272 Y291 | V204-Q253 HydrophobicContact CG2-CG 3.84Å; E245-Q253 VanDerWaalsContact CD-NE2 3.32Å; E245-Q253 PolarHBondContact OE1-NE2 2.7Å; E245-Q253 VanDerWaalsContact OE1-NE2 3.16Å; E245-Q253 PolarHBondContact OE2-NE2 3.42Å; E245-Q253 PolarHBondContact OE2-OE1 3.32Å; K247-Q253 HydrophobicContact CD-CB 4.34Å; Q253-G255 PolarHBondContact O-N 3.43Å; Q253-S256 VanDerWaalsContact C-OG 3.31Å; Q253-S256 VanDerWaalsContact CA-OG 3.29Å; Q253-S256 WeakPolarHBondContact CA-OG 3.34Å; Q253-S256 WeakPolarHBondContact O-CB 3.18Å; Q253-S256 PolarHBondContact O-N 3.41Å; Q253-S256 PolarHBondContact O-OG 2.78Å; Q253-Y272 HydrophobicContact CB-CD1 4.21Å; Q253-Y272 HydrophobicContact CB-CE1 4.22Å; Q253-Y272 HydrophobicContact CG-CD1 3.99Å; Q253-Y272 HydrophobicContact CG-CD2 4.23Å; Q253-Y272 HydrophobicContact CG-CE1 4.26Å; Q253-Y272 HydrophobicContact CG-CE2 4.46Å; Q253-Y272 HydrophobicContact CG-CG 3.96Å; Q253-Y272 VanDerWaalsContact NE2-CD2 3.35Å; Q253-Y272 WeakPolarHBondContact O-CD1 3.3Å; Q253-Y291 PolarHBondContact NE2-OH 3.49Å | ||
| 254 | L | 97.3 | Very high | 94.5 | Very high | 30 Ų | 30 | 44.7 Ų | 44.7 | 16% | 0.157 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 125.6 | 176.8 | 179.5 | 64.1 | 0 | 0 | 0 | 109.4 | C94 I95 A117 E119 S256 L273 | C94-L254 VanDerWaalsContact CA-O 3.28Å; C94-L254 WeakPolarHBondContact CA-O 3.37Å; C94-L254 VanDerWaalsContact CB-O 3.23Å; C94-L254 WeakPolarHBondContact CB-O 3.28Å; I95-L254 PolarHBondContact N-O 3.48Å; A117-L254 HydrophobicContact CB-CD1 3.46Å; A117-L254 VanDerWaalsContact CB-CD1 3.46Å; A117-L254 HydrophobicContact CB-CG 3.76Å; E119-L254 HydrophobicContact CB-CD1 4.47Å; E119-L254 HydrophobicContact CB-CD2 4.07Å; E119-L254 HydrophobicContact CG-CD2 4.31Å; L254-S256 VanDerWaalsContact C-N 3.29Å; L254-L273 VanDerWaalsContact CD1-O 3.3Å; L254-L273 WeakPolarHBondContact CD1-O 3.36Å |
| 255 | G | 97.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 0.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | I95 Q253 Y272 | I95-G255 CarbonylContact O-C 3.53Å; I95-G255 VanDerWaalsContact O-C 3.24Å; I95-G255 WeakPolarHBondContact O-CA 3.25Å; I95-G255 VanDerWaalsContact O-O 3.12Å; Q253-G255 PolarHBondContact O-N 3.43Å; G255-Y272 PolarHBondContact N-O 2.93Å |
| 256 | S | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -62.3 | 141.2 | -179.9 | -66.6 | 0 | 0 | 0 | 0 | 112.6 | I95 T205 Q253 L254 V271 Y272 | I95-S256 VanDerWaalsContact CB-OG 3.27Å; I95-S256 WeakPolarHBondContact CB-OG 3.44Å; I95-S256 WeakPolarHBondContact CG1-OG 3.28Å; T205-S256 WeakPolarHBondContact O-CB 3.33Å; T205-S256 PolarHBondContact O-OG 3.33Å; Q253-S256 VanDerWaalsContact C-OG 3.31Å; Q253-S256 VanDerWaalsContact CA-OG 3.29Å; Q253-S256 WeakPolarHBondContact CA-OG 3.34Å; Q253-S256 WeakPolarHBondContact O-CB 3.18Å; Q253-S256 PolarHBondContact O-N 3.41Å; Q253-S256 PolarHBondContact O-OG 2.78Å; L254-S256 VanDerWaalsContact C-N 3.29Å; S256-V271 WeakPolarHBondContact O-CA 3.37Å; S256-Y272 PolarHBondContact O-N 2.88Å | ||
| 257 | P | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 138.1 | 172.9 | 34.2 | -37.3 | 0 | 0 | 0 | 110.3 | V259 Q268 | P257-V259 HydrophobicContact CB-CG2 3.79Å; P257-V259 HydrophobicContact CG-CG2 4.07Å; P257-Q268 HydrophobicContact CB-CG 3.97Å |
| 258 | M | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 110.2 | 156.9 | -178.7 | 176.2 | 74.3 | 0 | 0 | 107.7 | P196 Y203 V219 I221 I241 Q268 Y269 G270 Y291 | P196-M258 HydrophobicContact CG-CE 3.98Å; Y203-M258 WeakPolarHBondContact O-CA 3.45Å; V219-M258 HydrophobicContact CG2-CG 4.44Å; I221-M258 HydrophobicContact CD1-CE 4.29Å; I221-M258 HydrophobicContact CD1-SD 3.62Å; I241-M258 HydrophobicContact CB-CE 4.05Å; I241-M258 HydrophobicContact CD1-CE 3.84Å; I241-M258 HydrophobicContact CG2-CE 3.73Å; I241-M258 HydrophobicContact CG2-SD 4.35Å; M258-Q268 WeakPolarHBondContact O-CA 3.34Å; M258-Y269 HydrophobicContact CE-CG 4.47Å; M258-Y269 PolarHBondContact O-N 2.67Å; M258-G270 PolarHBondContact N-O 2.75Å; M258-Y291 HydrophobicContact CB-CD1 3.48Å; M258-Y291 VanDerWaalsContact CB-CD1 3.48Å; M258-Y291 HydrophobicContact CB-CE1 3.6Å; M258-Y291 HydrophobicContact CB-CG 4.11Å; M258-Y291 HydrophobicContact CG-CD1 4.39Å; M258-Y291 HydrophobicContact CG-CE1 4.35Å; M258-Y291 HydrophobicContact SD-CD1 4.29Å; M258-Y291 HydrophobicContact SD-CD2 4.03Å; M258-Y291 HydrophobicContact SD-CE2 4.32Å; M258-Y291 HydrophobicContact SD-CG 4.01Å |
| 259 | V | 97.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 128.1 | -178 | -179.7 | 0 | 0 | 0 | 0 | 109.3 | W80 V187 C202 Y203 P257 A266 Y267 | W80-V259 HydrophobicContact CZ2-CG1 3.78Å; W80-V259 HydrophobicContact CZ2-CG2 4.48Å; V187-V259 HydrophobicContact CG2-CG1 4.13Å; V187-V259 HydrophobicContact CG2-CG2 4.27Å; C202-V259 CarbonylContact C-O 3.51Å; C202-V259 WeakPolarHBondContact CA-O 3.5Å; Y203-V259 PolarHBondContact N-O 2.84Å; Y203-V259 PolarHBondContact O-N 2.87Å; P257-V259 HydrophobicContact CB-CG2 3.79Å; P257-V259 HydrophobicContact CG-CG2 4.07Å; V259-A266 HydrophobicContact CG1-CB 3.67Å; V259-Y267 CarbonylContact C-O 3.58Å; V259-Y267 VanDerWaalsContact CA-O 3.31Å; V259-Y267 WeakPolarHBondContact CA-O 3.49Å |
| 260 | C | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 137.8 | 176.1 | -50.5 | 0 | 0 | 0 | 0 | 110.1 | P196 A200 S201 C202 Y267 Y269 | P196-C260 HydrophobicContact CB-CB 4.32Å; P196-C260 WeakPolarHBondContact CG-SG 3.48Å; A200-C260 HydrophobicContact CB-CB 4.14Å; S201-C260 WeakPolarHBondContact O-CA 3.31Å; C202-C260 HydrophobicContact CB-CB 4.1Å; C202-C260 WeakPolarHBondContact CB-SG 3.34Å; C202-C260 WeakPolarHBondContact SG-CB 3.21Å; C202-C260 CovalentContact SG-SG 2.04Å; C202-C260 PolarHBondContact SG-SG 2.52Å; C260-Y267 PolarHBondContact N-O 3.15Å; C260-Y267 PolarHBondContact O-N 2.84Å; C260-Y269 HydrophobicContact CB-CD2 3.8Å; C260-Y269 HydrophobicContact CB-CE2 3.76Å |
| 261 | I | 97.4 | Very high | 96.7 | Very high | 23 Ų | 23 | 20.4 Ų | 20.4 | 12% | 0.118 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 116.4 | 176.6 | -56.3 | 174.3 | 0 | 0 | 0 | 107.9 | L65 S201 Y203 R265 | L65-I261 HydrophobicContact CB-CD1 3.83Å; L65-I261 HydrophobicContact CB-CG1 4.41Å; L65-I261 HydrophobicContact CD1-CG1 4.24Å; L65-I261 HydrophobicContact CD1-CG2 3.94Å; S201-I261 PolarHBondContact O-N 2.04Å; Y203-I261 HydrophobicContact CD2-CD1 4.47Å; Y203-I261 HydrophobicContact CE2-CD1 3.88Å; Y203-I261 HydrophobicContact CE2-CG1 4.37Å; I261-R265 WeakPolarHBondContact CA-O 3.5Å |
| 262 | V | 96.7 | Very high | 96.7 | Very high | 16 Ų | 16 | 19.6 Ų | 19.6 | 10% | 0.097 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 117.5 | -179.6 | -175.7 | 0 | 0 | 0 | 0 | 107.6 | P197 Y199 A200 G264 R265 Y267 Y269 | P197-V262 HydrophobicContact CG-CG1 4.32Å; P197-V262 HydrophobicContact CG-CG2 4.12Å; Y199-V262 HydrophobicContact CE2-CG1 4.14Å; A200-V262 HydrophobicContact CB-CG2 3.99Å; V262-G264 PolarHBondContact O-N 2.83Å; V262-G264 VanDerWaalsContact O-N 3.15Å; V262-R265 PolarHBondContact N-O 2.95Å; V262-R265 PolarHBondContact O-N 2.82Å; V262-Y267 HydrophobicContact CB-CD2 3.97Å; V262-Y267 HydrophobicContact CB-CE2 3.97Å; V262-Y267 HydrophobicContact CG2-CD2 4.1Å; V262-Y269 HydrophobicContact CG2-CE2 4.44Å |
| 263 | H | 94 | Very high | 96.6 | Very high | 165 Ų | 165 | 19.9 Ų | 19.9 | 76% | 0.764 | 11% | 0.106 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | 43.5 | -178.7 | -54.3 | 138.7 | 0 | 0 | 0 | 113.9 | Y199 R265 | Y199-H263 AromaticContact CE2-NE2 3.95Å; Y199-H263 AromaticContact CZ-NE2 3.77Å; Y199-H263 PolarHBondContact OH-CE1 3.15Å; Y199-H263 VanDerWaalsContact OH-CE1 3.24Å; Y199-H263 PolarHBondContact OH-NE2 2.53Å; H263-R265 VanDerWaalsContact C-N 3.32Å; H263-R265 PolarHBondContact O-N 2.86Å |
| 264 | G | 93.7 | Very high | 96.3 | Very high | 55 Ų | 55 | 21.8 Ų | 21.8 | 57% | 0.567 | 12% | 0.116 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | 7.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | L65 V262 | L65-G264 VanDerWaalsContact CD1-O 3.23Å; L65-G264 WeakPolarHBondContact CD1-O 3.28Å; V262-G264 PolarHBondContact O-N 2.83Å; V262-G264 VanDerWaalsContact O-N 3.15Å |
| 265 | R | 97 | Very high | 95.9 | Very high | 47 Ų | 47 | 23.2 Ų | 23.2 | 18% | 0.177 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 143 | 176.8 | -175.3 | 165.9 | -70.8 | -151.6 | -7.3 | 111.9 | E104 I261 V262 H263 Y267 | E104-R265 VanDerWaalsContact C-NH1 3.27Å; E104-R265 VanDerWaalsContact CB-NH1 3.33Å; E104-R265 PolarHBondContact O-NH1 2.82Å; I261-R265 WeakPolarHBondContact CA-O 3.5Å; V262-R265 PolarHBondContact N-O 2.95Å; V262-R265 PolarHBondContact O-N 2.82Å; H263-R265 VanDerWaalsContact C-N 3.32Å; H263-R265 PolarHBondContact O-N 2.86Å; R265-Y267 HydrophobicContact CB-CE2 3.77Å; R265-Y267 WeakPolarHBondContact CD-OH 3.14Å; R265-Y267 HydrophobicContact CG-CD2 4.48Å; R265-Y267 HydrophobicContact CG-CE2 3.74Å; R265-Y267 WeakPolarHBondContact O-CD2 3.08Å |
| 266 | A | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 128 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G56 L65 W80 V187 C188 V259 | G56-A266 WeakPolarHBondContact CA-O 3.41Å; G56-A266 PolarHBondContact O-N 3.26Å; L65-A266 HydrophobicContact CD1-CB 3.96Å; L65-A266 HydrophobicContact CD2-CB 4.02Å; W80-A266 HydrophobicContact CH2-CB 3.29Å; W80-A266 HydrophobicContact CZ2-CB 3.79Å; W80-A266 HydrophobicContact CZ3-CB 3.99Å; V187-A266 HydrophobicContact CG2-CB 4.21Å; V187-A266 WeakPolarHBondContact CG2-O 3.46Å; C188-A266 WeakPolarHBondContact CB-O 3.08Å; C188-A266 PolarHBondContact N-O 2.87Å; V259-A266 HydrophobicContact CG1-CB 3.67Å |
| 267 | Y | 97.4 | Very high | 94.8 | Very high | 36 Ų | 36 | 27.9 Ų | 27.9 | 14% | 0.141 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 134.3 | 178 | -61.8 | -93.9 | 0 | 0 | 0 | 111 | E104 C188 V259 C260 V262 R265 Y269 | E104-Y267 VanDerWaalsContact CD-OH 3.3Å; E104-Y267 WeakPolarHBondContact OE2-CE1 3.43Å; E104-Y267 VanDerWaalsContact OE2-CZ 3.26Å; E104-Y267 PolarHBondContact OE2-OH 3.2Å; C188-Y267 HydrophobicContact CB-CD1 3.58Å; C188-Y267 HydrophobicContact CB-CE1 3.83Å; C188-Y267 HydrophobicContact CB-CG 4.31Å; C188-Y267 CarbonylContact O-C 3.52Å; C188-Y267 WeakPolarHBondContact O-CA 3.21Å; V259-Y267 CarbonylContact C-O 3.58Å; V259-Y267 VanDerWaalsContact CA-O 3.31Å; V259-Y267 WeakPolarHBondContact CA-O 3.49Å; C260-Y267 PolarHBondContact N-O 3.15Å; C260-Y267 PolarHBondContact O-N 2.84Å; V262-Y267 HydrophobicContact CB-CD2 3.97Å; V262-Y267 HydrophobicContact CB-CE2 3.97Å; V262-Y267 HydrophobicContact CG2-CD2 4.1Å; R265-Y267 HydrophobicContact CB-CE2 3.77Å; R265-Y267 WeakPolarHBondContact CD-OH 3.14Å; R265-Y267 HydrophobicContact CG-CD2 4.48Å; R265-Y267 HydrophobicContact CG-CE2 3.74Å; R265-Y267 WeakPolarHBondContact O-CD2 3.08Å; Y267-Y269 WeakPolarHBondContact O-CD2 3.46Å |
| 268 | Q | 97.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 1% | 0.014 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 115.5 | 171.2 | -177.7 | 175.5 | -2.9 | 0 | 0 | 110.3 | S97 V99 V187 C188 A190 P257 M258 G270 I294 | S97-Q268 PolarHBondContact OG-NE2 2.91Å; S97-Q268 VanDerWaalsContact OG-NE2 3.15Å; S97-Q268 PolarHBondContact OG-OE1 3.32Å; V99-Q268 VanDerWaalsContact CG1-OE1 3.29Å; V187-Q268 HydrophobicContact CG1-CB 3.79Å; V187-Q268 HydrophobicContact CG2-CB 4.27Å; C188-Q268 PolarHBondContact O-N 3.38Å; A190-Q268 WeakPolarHBondContact CB-O 3.45Å; A190-Q268 PolarHBondContact N-O 3.26Å; P257-Q268 HydrophobicContact CB-CG 3.97Å; M258-Q268 WeakPolarHBondContact O-CA 3.34Å; Q268-G270 PolarHBondContact NE2-O 2.89Å; Q268-I294 HydrophobicContact CG-CD1 4Å |
| 269 | Y | 95.4 | Very high | 92.9 | Very high | 22 Ų | 22 | 37.2 Ų | 37.2 | 9% | 0.086 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | -21.6 | 179.1 | -81.2 | -92.2 | 0 | 0 | 0 | 113.3 | A190 S194 V195 P196 M258 C260 V262 Y267 P293 | A190-Y269 HydrophobicContact CB-CD1 3.56Å; A190-Y269 HydrophobicContact CB-CD2 4.02Å; A190-Y269 HydrophobicContact CB-CE1 3.66Å; A190-Y269 HydrophobicContact CB-CE2 4.11Å; A190-Y269 HydrophobicContact CB-CG 3.76Å; S194-Y269 WeakPolarHBondContact OG-CE1 3.44Å; V195-Y269 WeakPolarHBondContact O-CE1 3.45Å; P196-Y269 HydrophobicContact CB-CD2 4.48Å; P196-Y269 HydrophobicContact CB-CE1 4.46Å; P196-Y269 HydrophobicContact CB-CE2 4.38Å; P196-Y269 HydrophobicContact CG-CD1 3.81Å; P196-Y269 HydrophobicContact CG-CD2 3.95Å; P196-Y269 HydrophobicContact CG-CE1 4.18Å; P196-Y269 HydrophobicContact CG-CE2 4.32Å; P196-Y269 HydrophobicContact CG-CG 3.67Å; P196-Y269 VanDerWaalsContact N-CE1 3.34Å; M258-Y269 HydrophobicContact CE-CG 4.47Å; M258-Y269 PolarHBondContact O-N 2.67Å; C260-Y269 HydrophobicContact CB-CD2 3.8Å; C260-Y269 HydrophobicContact CB-CE2 3.76Å; V262-Y269 HydrophobicContact CG2-CE2 4.44Å; Y267-Y269 WeakPolarHBondContact O-CD2 3.46Å; Y269-P293 WeakPolarHBondContact O-CA 3.43Å |
| 270 | G | 94.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.7 | 175.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | M258 Q268 K292 | M258-G270 PolarHBondContact N-O 2.75Å; Q268-G270 PolarHBondContact NE2-O 2.89Å; G270-K292 CarbonylContact C-O 3.54Å; G270-K292 WeakPolarHBondContact CA-O 3.28Å |
| 271 | V | 96 | Very high | 90.8 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 124.3 | 175.6 | 177.6 | 0 | 0 | 0 | 0 | 108.3 | L115 V169 S256 L273 Y291 K292 I294 | L115-V271 HydrophobicContact CB-CG2 4.37Å; V169-V271 HydrophobicContact CG1-CB 3.89Å; V169-V271 HydrophobicContact CG1-CG1 4.31Å; V169-V271 HydrophobicContact CG1-CG2 4.06Å; S256-V271 WeakPolarHBondContact O-CA 3.37Å; V271-L273 HydrophobicContact CG1-CD2 4.21Å; V271-L273 PolarHBondContact O-N 3.39Å; V271-Y291 CarbonylContact O-C 3.52Å; V271-Y291 WeakPolarHBondContact O-CA 3.4Å; V271-K292 PolarHBondContact N-O 3.46Å; V271-K292 PolarHBondContact O-N 2.01Å; V271-I294 HydrophobicContact CG2-CD1 3.88Å; V271-I294 HydrophobicContact CG2-CG1 4.02Å |
| 272 | Y | 96 | Very high | 89.9 | Confident | 5 Ų | 5 | 52.6 Ų | 52.6 | 2% | 0.02 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 127.5 | 176.4 | -178.4 | -87.8 | 0 | 0 | 0 | 110.8 | E245 Q253 G255 S256 Q275 Y291 | E245-Y272 VanDerWaalsContact OE1-CE2 3.29Å; E245-Y272 WeakPolarHBondContact OE1-CE2 3.46Å; Q253-Y272 HydrophobicContact CB-CD1 4.21Å; Q253-Y272 HydrophobicContact CB-CE1 4.22Å; Q253-Y272 HydrophobicContact CG-CD1 3.99Å; Q253-Y272 HydrophobicContact CG-CD2 4.23Å; Q253-Y272 HydrophobicContact CG-CE1 4.26Å; Q253-Y272 HydrophobicContact CG-CE2 4.46Å; Q253-Y272 HydrophobicContact CG-CG 3.96Å; Q253-Y272 VanDerWaalsContact NE2-CD2 3.35Å; Q253-Y272 WeakPolarHBondContact O-CD1 3.3Å; G255-Y272 PolarHBondContact N-O 2.93Å; S256-Y272 PolarHBondContact O-N 2.88Å; Y272-Q275 PolarHBondContact OH-N 3.41Å; Y272-Y291 HydrophobicContact CD2-CD1 4.43Å; Y272-Y291 AromaticContact CD2-CE1 3.84Å; Y272-Y291 HydrophobicContact CD2-CE1 3.84Å; Y272-Y291 HydrophobicContact CD2-CE2 4.15Å; Y272-Y291 AromaticContact CD2-CZ 3.68Å; Y272-Y291 HydrophobicContact CG-CE1 4.23Å |
| 273 | L | 93.2 | Very high | 88.8 | Confident | 14 Ų | 14 | 62.7 Ų | 62.7 | 7% | 0.073 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | -48.7 | 177.6 | -58.5 | -174.5 | 0 | 0 | 0 | 112.2 | A117 L158 G168 L254 V271 F290 K292 | A117-L273 HydrophobicContact CB-CD2 3.75Å; L158-L273 HydrophobicContact CD1-CD1 3.69Å; G168-L273 VanDerWaalsContact O-CD2 3.28Å; G168-L273 WeakPolarHBondContact O-CD2 3.26Å; L254-L273 VanDerWaalsContact CD1-O 3.3Å; L254-L273 WeakPolarHBondContact CD1-O 3.36Å; V271-L273 HydrophobicContact CG1-CD2 4.21Å; V271-L273 PolarHBondContact O-N 3.39Å; L273-F290 HydrophobicContact CB-CD1 4.31Å; L273-F290 HydrophobicContact CD1-CD1 4.4Å; L273-F290 HydrophobicContact CD1-CE1 4.2Å; L273-F290 PolarHBondContact N-O 2.96Å; L273-K292 HydrophobicContact CD1-CB 3.72Å; L273-K292 HydrophobicContact CG-CB 4.23Å |
| 274 | N | 90.7 | Very high | 88.2 | Confident | 41 Ų | 41 | 58.9 Ų | 58.9 | 22% | 0.219 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 168.1 | -175.1 | 62.9 | -50.3 | 0 | 0 | 0 | 112.2 | L276 F290 | N274-L276 WeakPolarHBondContact ND2-CD2 3.37Å; N274-F290 WeakPolarHBondContact O-CB 3.48Å; N274-F290 PolarHBondContact O-N 3.27Å |
| 275 | Q | 90.6 | Very high | 87.7 | Confident | 59 Ų | 59 | 61.5 Ų | 61.5 | 28% | 0.276 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 133.8 | 171.3 | -169.8 | 169 | 58.3 | 0 | 0 | 109.6 | E245 Y272 K287 L288 | E245-Q275 PolarHBondContact O-NE2 3.09Å; Y272-Q275 PolarHBondContact OH-N 3.41Å; Q275-K287 HydrophobicContact CG-CB 4.19Å; Q275-L288 CarbonylContact C-O 3.5Å; Q275-L288 VanDerWaalsContact CA-O 3.31Å; Q275-L288 WeakPolarHBondContact CA-O 3.27Å; Q275-L288 WeakPolarHBondContact CG-O 3.41Å |
| 276 | L | 86.8 | Confident | 87.3 | Confident | 21 Ų | 21 | 62.1 Ų | 62.1 | 11% | 0.11 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 149.3 | 171.1 | -52.8 | 179.5 | 0 | 0 | 0 | 109.3 | A229 N274 K287 L288 F290 | A229-L276 WeakPolarHBondContact O-CD2 3.22Å; N274-L276 WeakPolarHBondContact ND2-CD2 3.37Å; L276-K287 WeakPolarHBondContact O-CA 3.4Å; L276-L288 HydrophobicContact CB-CB 4.41Å; L276-L288 PolarHBondContact N-O 2.91Å; L276-L288 PolarHBondContact O-N 3.32Å; L276-F290 HydrophobicContact CD1-CB 4.01Å; L276-F290 HydrophobicContact CD1-CD2 3.95Å; L276-F290 HydrophobicContact CD1-CG 4.35Å; L276-F290 HydrophobicContact CD2-CB 4.41Å; L276-F290 HydrophobicContact CG-CB 3.97Å |
| 277 | S | 83.7 | Confident | 86.9 | Confident | 78 Ų | 78 | 66.3 Ų | 66.3 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 115.1 | 169.7 | -62.4 | 0 | 0 | 0 | 0 | 108.5 | ||
| 278 | L | 79.7 | Confident | 86.7 | Confident | 55 Ų | 55 | 64.9 Ų | 64.9 | 29% | 0.288 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 128.4 | 172.8 | -65.9 | -171.3 | 0 | 0 | 0 | 109.8 | N285 Q286 L288 | L278-N285 CarbonylContact O-C 3.6Å; L278-N285 WeakPolarHBondContact O-CA 2.96Å; L278-Q286 PolarHBondContact N-O 2.86Å; L278-Q286 PolarHBondContact O-N 3.27Å; L278-L288 HydrophobicContact CD1-CD1 3.23Å; L278-L288 HydrophobicContact CD1-CG 4.17Å; L278-L288 HydrophobicContact CG-CD1 3.73Å; L278-L288 HydrophobicContact CG-CG 4.33Å |
| 279 | K | 77.6 | Confident | 86.5 | Confident | 140 Ų | 140 | 64.7 Ų | 64.7 | 61% | 0.609 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 116 | 168.7 | -72.2 | -177.6 | 177.7 | -174.3 | 0 | 109.4 | V284 N285 | K279-V284 WeakPolarHBondContact CA-O 3.2Å; K279-N285 WeakPolarHBondContact CG-OD1 3.34Å |
| 280 | I | 73.7 | Confident | 86.4 | Confident | 67 Ų | 67 | 63.7 Ų | 63.7 | 34% | 0.344 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 124.7 | 173.5 | -58.9 | 174.2 | 0 | 0 | 0 | 108.3 | N282 R283 V284 Q286 | I280-N282 PolarHBondContact O-N 3.27Å; I280-R283 PolarHBondContact O-N 2.92Å; I280-V284 HydrophobicContact CB-CB 4.39Å; I280-V284 PolarHBondContact N-O 3.09Å; I280-V284 PolarHBondContact O-N 2.96Å; I280-V284 VanDerWaalsContact O-N 3.12Å; I280-Q286 HydrophobicContact CD1-CB 4.02Å; I280-Q286 VanDerWaalsContact CD1-OE1 3.26Å |
| 281 | N | 77.7 | Confident | 86.3 | Confident | 144 Ų | 144 | 63.7 Ų | 63.7 | 77% | 0.77 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 27.8 | 179.5 | -58.8 | -19.2 | 0 | 0 | 0 | 113.7 | R283 | N281-R283 WeakPolarHBondContact O-CG 3.35Å; N281-R283 PolarHBondContact O-N 3Å |
| 282 | N | 77.4 | Confident | 86.1 | Confident | 136 Ų | 136 | 64.9 Ų | 64.9 | 73% | 0.727 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 11.3 | -173.2 | -148.6 | 34.2 | 0 | 0 | 0 | 116 | I280 | I280-N282 PolarHBondContact O-N 3.27Š|
| 283 | R | 74.5 | Confident | 85.8 | Confident | 228 Ų | 228 | 66.2 Ų | 66.2 | 86% | 0.86 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.7 | -32.7 | -174.1 | -70.2 | 177.7 | -172.1 | -176.8 | 2.2 | 113.5 | I280 N281 | I280-R283 PolarHBondContact O-N 2.92Å; N281-R283 WeakPolarHBondContact O-CG 3.35Å; N281-R283 PolarHBondContact O-N 3Å |
| 284 | V | 81.4 | Confident | 85 | Confident | 85 Ų | 85 | 66.9 Ų | 66.9 | 52% | 0.515 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 127.6 | -173.7 | -178.9 | 0 | 0 | 0 | 0 | 109.8 | K279 I280 | K279-V284 WeakPolarHBondContact CA-O 3.2Å; I280-V284 HydrophobicContact CB-CB 4.39Å; I280-V284 PolarHBondContact N-O 3.09Å; I280-V284 PolarHBondContact O-N 2.96Å; I280-V284 VanDerWaalsContact O-N 3.12Å |
| 285 | N | 83.2 | Confident | 83.9 | Confident | 111 Ų | 111 | 67.3 Ų | 67.3 | 59% | 0.594 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 102.8 | 171.6 | -71.2 | -46.9 | 0 | 0 | 0 | 109.2 | L278 K279 | L278-N285 CarbonylContact O-C 3.6Å; L278-N285 WeakPolarHBondContact O-CA 2.96Å; K279-N285 WeakPolarHBondContact CG-OD1 3.34Å |
| 286 | Q | 87.3 | Confident | 82.2 | Confident | 60 Ų | 60 | 66.7 Ų | 66.7 | 28% | 0.28 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 127.7 | 171.7 | -171 | 173.8 | 9 | 0 | 0 | 109.8 | L278 I280 L288 | L278-Q286 PolarHBondContact N-O 2.86Å; L278-Q286 PolarHBondContact O-N 3.27Å; I280-Q286 HydrophobicContact CD1-CB 4.02Å; I280-Q286 VanDerWaalsContact CD1-OE1 3.26Å; Q286-L288 HydrophobicContact CG-CD2 4.11Å |
| 287 | K | 90.9 | Very high | 80.1 | Confident | 88 Ų | 88 | 69.9 Ų | 69.9 | 38% | 0.383 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 131.3 | 173.7 | -67.5 | -178.9 | 177.6 | -177.2 | 0 | 109.9 | E245 Q275 L276 | E245-K287 PolarHBondContact N-O 3.5Å; E245-K287 CarbonylContact O-C 3.54Å; E245-K287 WeakPolarHBondContact O-CB 3.33Å; Q275-K287 HydrophobicContact CG-CB 4.19Å; L276-K287 WeakPolarHBondContact O-CA 3.4Å |
| 288 | L | 91.9 | Very high | 77.9 | Confident | 5 Ų | 5 | 70.1 Ų | 70.1 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 140.4 | 177.1 | -59.6 | -176.7 | 0 | 0 | 0 | 110.2 | T222 C242 A243 V244 Q275 L276 L278 Q286 | T222-L288 HydrophobicContact CG2-CD2 4.05Å; C242-L288 HydrophobicContact CB-CB 4.37Å; C242-L288 HydrophobicContact CB-CD1 3.96Å; A243-L288 CarbonylContact O-C 3.53Å; A243-L288 VanDerWaalsContact O-CA 3.27Å; A243-L288 WeakPolarHBondContact O-CA 3.44Å; V244-L288 HydrophobicContact CB-CD2 4.36Å; V244-L288 HydrophobicContact CG2-CD2 3.9Å; Q275-L288 CarbonylContact C-O 3.5Å; Q275-L288 VanDerWaalsContact CA-O 3.31Å; Q275-L288 WeakPolarHBondContact CA-O 3.27Å; Q275-L288 WeakPolarHBondContact CG-O 3.41Å; L276-L288 HydrophobicContact CB-CB 4.41Å; L276-L288 PolarHBondContact N-O 2.91Å; L276-L288 PolarHBondContact O-N 3.32Å; L278-L288 HydrophobicContact CD1-CD1 3.23Å; L278-L288 HydrophobicContact CD1-CG 4.17Å; L278-L288 HydrophobicContact CG-CD1 3.73Å; L278-L288 HydrophobicContact CG-CG 4.33Å; Q286-L288 HydrophobicContact CG-CD2 4.11Å |
| 289 | G | 93.7 | Very high | 75.8 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 134.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | C242 A243 E245 Y291 | C242-G289 VanDerWaalsContact CA-O 3.28Å; C242-G289 WeakPolarHBondContact CA-O 3.41Å; A243-G289 PolarHBondContact N-O 3.46Å; A243-G289 VanDerWaalsContact N-O 3.15Å; A243-G289 PolarHBondContact O-N 2.79Å; E245-G289 VanDerWaalsContact CG-N 3.29Å; E245-G289 WeakPolarHBondContact OE1-CA 3.26Å; G289-Y291 WeakPolarHBondContact O-CD2 3.26Å |
| 290 | F | 92.8 | Very high | 73.7 | Confident | 1 Ų | 1 | 73.8 Ų | 73.8 | 0% | 0.004 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 120.2 | 172 | -178.4 | -96.9 | 0 | 0 | 0 | 110.7 | L158 A229 L273 N274 L276 | L158-F290 HydrophobicContact CD1-CE1 4.29Å; A229-F290 HydrophobicContact CB-CD1 4.41Å; A229-F290 HydrophobicContact CB-CD2 4.22Å; A229-F290 HydrophobicContact CB-CE1 4Å; A229-F290 HydrophobicContact CB-CE2 3.77Å; A229-F290 HydrophobicContact CB-CZ 3.66Å; L273-F290 HydrophobicContact CB-CD1 4.31Å; L273-F290 HydrophobicContact CD1-CD1 4.4Å; L273-F290 HydrophobicContact CD1-CE1 4.2Å; L273-F290 PolarHBondContact N-O 2.96Å; N274-F290 WeakPolarHBondContact O-CB 3.48Å; N274-F290 PolarHBondContact O-N 3.27Å; L276-F290 HydrophobicContact CD1-CB 4.01Å; L276-F290 HydrophobicContact CD1-CD2 3.95Å; L276-F290 HydrophobicContact CD1-CG 4.35Å; L276-F290 HydrophobicContact CD2-CB 4.41Å; L276-F290 HydrophobicContact CG-CB 3.97Å |
| 291 | Y | 94.1 | Very high | 71.7 | Confident | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 127.1 | -179 | -62.4 | -94.4 | 0 | 0 | 0 | 109.9 | V204 G240 I241 A243 E245 Q253 M258 V271 Y272 G289 P293 | V204-Y291 HydrophobicContact CB-CE1 4.39Å; V204-Y291 WeakPolarHBondContact CB-OH 3.29Å; V204-Y291 HydrophobicContact CG2-CE1 3.87Å; V204-Y291 WeakPolarHBondContact CG2-OH 3.42Å; G240-Y291 CarbonylContact C-O 3.49Å; G240-Y291 VanDerWaalsContact CA-O 3.28Å; G240-Y291 WeakPolarHBondContact CA-O 3Å; I241-Y291 PolarHBondContact N-O 3.28Å; I241-Y291 WeakPolarHBondContact O-CB 2.97Å; I241-Y291 PolarHBondContact O-N 3.07Å; A243-Y291 HydrophobicContact CB-CD2 4.49Å; A243-Y291 HydrophobicContact CB-CE2 3.94Å; E245-Y291 WeakPolarHBondContact OE1-CE2 3.34Å; E245-Y291 VanDerWaalsContact OE1-CZ 3.23Å; E245-Y291 PolarHBondContact OE1-OH 3Å; Q253-Y291 PolarHBondContact NE2-OH 3.49Å; M258-Y291 HydrophobicContact CB-CD1 3.48Å; M258-Y291 VanDerWaalsContact CB-CD1 3.48Å; M258-Y291 HydrophobicContact CB-CE1 3.6Å; M258-Y291 HydrophobicContact CB-CG 4.11Å; M258-Y291 HydrophobicContact CG-CD1 4.39Å; M258-Y291 HydrophobicContact CG-CE1 4.35Å; M258-Y291 HydrophobicContact SD-CD1 4.29Å; M258-Y291 HydrophobicContact SD-CD2 4.03Å; M258-Y291 HydrophobicContact SD-CE2 4.32Å; M258-Y291 HydrophobicContact SD-CG 4.01Å; V271-Y291 CarbonylContact O-C 3.52Å; V271-Y291 WeakPolarHBondContact O-CA 3.4Å; Y272-Y291 HydrophobicContact CD2-CD1 4.43Å; Y272-Y291 AromaticContact CD2-CE1 3.84Å; Y272-Y291 HydrophobicContact CD2-CE1 3.84Å; Y272-Y291 HydrophobicContact CD2-CE2 4.15Å; Y272-Y291 AromaticContact CD2-CZ 3.68Å; Y272-Y291 HydrophobicContact CG-CE1 4.23Å; G289-Y291 WeakPolarHBondContact O-CD2 3.26Å; Y291-P293 WeakPolarHBondContact O-CD 3.34Å |
| 292 | K | 91.4 | Very high | 69.8 | Low | 24 Ų | 24 | 79.8 Ų | 79.8 | 10% | 0.104 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 122.6 | 174.3 | -170.7 | 66.4 | -171.5 | 176.7 | 0 | 110.4 | L158 V169 Q237 R239 G270 V271 L273 | L158-K292 HydrophobicContact CD1-CD 4.29Å; L158-K292 HydrophobicContact CD2-CD 3.58Å; L158-K292 VanDerWaalsContact CD2-CE 3.4Å; L158-K292 HydrophobicContact CD2-CG 4.03Å; V169-K292 HydrophobicContact CG1-CB 4.03Å; V169-K292 HydrophobicContact CG1-CG 4.17Å; Q237-K292 PolarHBondContact O-NZ 3.28Å; R239-K292 PolarHBondContact O-NZ 2.86Å; G270-K292 CarbonylContact C-O 3.54Å; G270-K292 WeakPolarHBondContact CA-O 3.28Å; V271-K292 PolarHBondContact N-O 3.46Å; V271-K292 PolarHBondContact O-N 2.01Å; L273-K292 HydrophobicContact CD1-CB 3.72Å; L273-K292 HydrophobicContact CG-CB 4.23Å |
| 293 | P | 88.7 | Confident | 67.7 | Low | 34 Ų | 34 | 78.2 Ų | 78.2 | 22% | 0.221 | 40% | 0.4 | C | S | . | . | trans | -61.3 | 148.1 | 170.7 | -23.5 | 34.1 | 0 | 0 | 0 | 111.5 | I241 Y269 Y291 | I241-P293 HydrophobicContact CD1-CG 4.09Å; I241-P293 HydrophobicContact CG1-CG 4.13Å; Y269-P293 WeakPolarHBondContact O-CA 3.43Å; Y291-P293 WeakPolarHBondContact O-CD 3.34Å | ||
| 294 | I | 78 | Confident | 65.7 | Low | 27 Ų | 27 | 73.2 Ų | 73.2 | 14% | 0.138 | 39% | 0.39 | C | S | . | . | trans | -91.8 | 111 | 179.5 | -65.9 | 144.5 | 0 | 0 | 0 | 108.1 | L115 L189 Q268 V271 I296 | L115-I294 HydrophobicContact CD1-CB 4.32Å; L115-I294 HydrophobicContact CD1-CD1 3.15Å; L115-I294 HydrophobicContact CD1-CG1 3.7Å; L115-I294 HydrophobicContact CD1-CG2 3.82Å; L115-I294 HydrophobicContact CG-CD1 4.43Å; L189-I294 HydrophobicContact CD2-CD1 4.12Å; L189-I294 HydrophobicContact CD2-CG2 4.45Å; Q268-I294 HydrophobicContact CG-CD1 4Å; V271-I294 HydrophobicContact CG2-CD1 3.88Å; V271-I294 HydrophobicContact CG2-CG1 4.02Å; I294-I296 HydrophobicContact CG2-CB 4.2Å; I294-I296 HydrophobicContact CG2-CD1 3.32Å; I294-I296 HydrophobicContact CG2-CG1 3.4Å; I294-I296 PolarHBondContact O-N 3.37Å | ||
| 295 | L | 67.2 | Low | 63.3 | Low | 51 Ų | 51 | 77.6 Ų | 77.6 | 27% | 0.267 | 40% | 0.402 | S | S | . | . | trans | -98.4 | 73.7 | 171.7 | -174.4 | 64.4 | 0 | 0 | 0 | 108.4 | R192 I306 | R192-L295 VanDerWaalsContact CD-CD1 3.42Å; R192-L295 HydrophobicContact CG-CD1 3.59Å; L295-I306 HydrophobicContact CD2-CG2 3.73Å; L295-I306 WeakPolarHBondContact O-CD1 3.24Å | ||
| 296 | I | 54.9 | Low | 61.1 | Low | 45 Ų | 45 | 74.1 Ų | 74.1 | 23% | 0.231 | 38% | 0.384 | C | S | . | . | trans | -86.7 | 122.2 | 171.3 | -69.6 | 165 | 0 | 0 | 0 | 107.6 | L115 I171 L189 I294 V298 | L115-I296 HydrophobicContact CD1-CD1 4.25Å; L115-I296 HydrophobicContact CD2-CD1 4.08Å; I171-I296 HydrophobicContact CD1-CD1 3.83Å; I171-I296 HydrophobicContact CD1-CG1 3.73Å; L189-I296 HydrophobicContact CD1-CD1 4.06Å; I294-I296 HydrophobicContact CG2-CB 4.2Å; I294-I296 HydrophobicContact CG2-CD1 3.32Å; I294-I296 HydrophobicContact CG2-CG1 3.4Å; I294-I296 PolarHBondContact O-N 3.37Å; I296-V298 HydrophobicContact CB-CG2 4.45Å; I296-V298 HydrophobicContact CG2-CG2 3.81Å; I296-V298 PolarHBondContact O-N 2.91Å | ||
| 297 | L | 41.8 | Very low | 58.6 | Low | 88 Ų | 88 | 81.7 Ų | 81.7 | 46% | 0.461 | 41% | 0.41 | S | S | . | . | trans | -66.8 | 96.9 | 161.6 | -69.1 | 171.6 | 0 | 0 | 0 | 107.6 | Q299 I306 | L297-Q299 PolarHBondContact O-N 3.3Å; L297-I306 HydrophobicContact CD1-CD1 4.1Å; L297-I306 HydrophobicContact CD1-CG1 3.42Å; L297-I306 VanDerWaalsContact CD1-CG1 3.42Å; L297-I306 HydrophobicContact CG-CD1 4.04Å; L297-I306 HydrophobicContact CG-CG1 3.78Å | ||
| 298 | V | 38.6 | Very low | 56.2 | Low | 84 Ų | 84 | 83.4 Ų | 83.4 | 51% | 0.509 | 42% | 0.419 | S | S | . | . | trans | -85.9 | 84.4 | 169.6 | -178.9 | 0 | 0 | 0 | 0 | 107.4 | K101 I296 | K101-V298 WeakPolarHBondContact O-CG1 3.37Å; K101-V298 WeakPolarHBondContact O-CG2 3.12Å; I296-V298 HydrophobicContact CB-CG2 4.45Å; I296-V298 HydrophobicContact CG2-CG2 3.81Å; I296-V298 PolarHBondContact O-N 2.91Å | ||
| 299 | Q | 34.8 | Very low | 53.8 | Low | 178 Ų | 178 | 85 Ų | 85 | 83% | 0.832 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -163.4 | 86.8 | 163.1 | -116.2 | 175.8 | -1.9 | 0 | 0 | 110.4 | L297 R301 | L297-Q299 PolarHBondContact O-N 3.3Å; Q299-R301 PolarHBondContact O-N 3.24Å |
| 300 | G | 34.1 | Very low | 51.4 | Low | 93 Ų | 93 | 89.9 Ų | 89.9 | 96% | 0.959 | 45% | 0.452 | S | S | * | . | S | Bend | trans | 60.4 | -18.6 | 149.9 | 0 | 0 | 0 | 0 | 0 | 121 | ||
| 301 | R | 32.5 | Very low | 49.2 | Very low | 192 Ų | 192 | 93.7 Ų | 93.7 | 73% | 0.725 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -138.5 | 133 | 177.3 | -70.8 | -174.9 | -177 | 175.3 | 0.2 | 107 | Q299 D303 | Q299-R301 PolarHBondContact O-N 3.24Å; R301-D303 HydrophobicContact CB-CB 3.95Å; R301-D303 WeakPolarHBondContact CD-OD2 3.27Å; R301-D303 IonicContact NH1-OD2 2.57Å; R301-D303 PolarHBondContact O-N 3.37Å |
| 302 | I | 36.7 | Very low | 47 | Very low | 146 Ų | 146 | 94.3 Ų | 94.3 | 75% | 0.749 | 48% | 0.476 | S | S | * | . | trans | -70.5 | 64.4 | 155.3 | -61.1 | 165.3 | 0 | 0 | 0 | 104.7 | ||||
| 303 | D | 33.3 | Very low | 44.8 | Very low | 103 Ų | 103 | 96.7 Ų | 96.7 | 55% | 0.551 | 49% | 0.494 | S | S | * | . | trans | -87.4 | 123.9 | 169.4 | -100 | -31.7 | 0 | 0 | 0 | 107 | R301 F305 | R301-D303 HydrophobicContact CB-CB 3.95Å; R301-D303 WeakPolarHBondContact CD-OD2 3.27Å; R301-D303 IonicContact NH1-OD2 2.57Å; R301-D303 PolarHBondContact O-N 3.37Å; D303-F305 VanDerWaalsContact C-N 3.29Å; D303-F305 PolarHBondContact O-N 3.5Å | ||
| 304 | L | 33.7 | Very low | 42.7 | Very low | 122 Ų | 122 | 102.7 Ų | 102.7 | 64% | 0.639 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -84.6 | 62.7 | -150.8 | -162.7 | 114.3 | 0 | 0 | 0 | 110 | L311 | L304-L311 HydrophobicContact CD1-CD1 3.61Å; L304-L311 HydrophobicContact CG-CD1 4.28Å |
| 305 | F | 30.5 | Very low | 41 | Very low | 177 Ų | 177 | 104.9 Ų | 104.9 | 78% | 0.776 | 53% | 0.534 | S | S | * | . | trans | -144.9 | 75.8 | 176.1 | -100.7 | -86.1 | 0 | 0 | 0 | 112.6 | D303 | D303-F305 VanDerWaalsContact C-N 3.29Å; D303-F305 PolarHBondContact O-N 3.5Å | ||
| 306 | I | 37.6 | Very low | 39.8 | Very low | 39 Ų | 39 | 107.1 Ų | 107.1 | 20% | 0.2 | 54% | 0.543 | C | S | . | . | trans | -95.9 | 103.9 | 150.6 | -60.1 | 178.2 | 0 | 0 | 0 | 106.1 | L295 L297 H308 L309 | L295-I306 HydrophobicContact CD2-CG2 3.73Å; L295-I306 WeakPolarHBondContact O-CD1 3.24Å; L297-I306 HydrophobicContact CD1-CD1 4.1Å; L297-I306 HydrophobicContact CD1-CG1 3.42Å; L297-I306 VanDerWaalsContact CD1-CG1 3.42Å; L297-I306 HydrophobicContact CG-CD1 4.04Å; L297-I306 HydrophobicContact CG-CG1 3.78Å; I306-H308 PolarHBondContact O-N 3.19Å; I306-L309 HydrophobicContact CG2-CB 4.19Å; I306-L309 HydrophobicContact CG2-CD1 3.95Å; I306-L309 PolarHBondContact O-N 3.16Å | ||
| 307 | R | 34.1 | Very low | 39.1 | Very low | 219 Ų | 219 | 105.5 Ų | 105.5 | 83% | 0.826 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | 112.6 | 161.1 | -77.9 | -174.4 | 177.3 | -152.5 | 0.5 | 106.9 | ||
| 308 | H | 40.8 | Very low | 39 | Very low | 124 Ų | 124 | 106.1 Ų | 106.1 | 57% | 0.574 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.3 | 19.3 | 169.9 | -49.5 | -11 | 0 | 0 | 0 | 119.6 | I306 | I306-H308 PolarHBondContact O-N 3.19Š|
| 309 | L | 41.5 | Very low | 38.9 | Very low | 38 Ų | 38 | 106.9 Ų | 106.9 | 20% | 0.199 | 55% | 0.547 | C | S | . | . | trans | -124.4 | 102.1 | 157.9 | -89 | 122.9 | 0 | 0 | 0 | 110.1 | Y156 G157 I306 L311 | Y156-L309 HydrophobicContact CD1-CB 4.21Å; Y156-L309 HydrophobicContact CD1-CD2 3.9Å; Y156-L309 HydrophobicContact CG-CD2 4.08Å; G157-L309 WeakPolarHBondContact O-CD2 3.37Å; I306-L309 HydrophobicContact CG2-CB 4.19Å; I306-L309 HydrophobicContact CG2-CD1 3.95Å; I306-L309 PolarHBondContact O-N 3.16Å; L309-L311 PolarHBondContact O-N 3.09Å | ||
| 310 | L | 43 | Very low | 39.2 | Very low | 102 Ų | 102 | 100.8 Ų | 100.8 | 53% | 0.534 | 52% | 0.52 | S | S | . | . | trans | -63.5 | 117.9 | 169.3 | -78.7 | 150 | 0 | 0 | 0 | 107.9 | G157 I165 L312 | G157-L310 PolarHBondContact N-O 3.08Å; I165-L310 HydrophobicContact CD1-CB 4.38Å; I165-L310 HydrophobicContact CD1-CD1 3.75Å; I165-L310 HydrophobicContact CG1-CD1 4.44Å; L310-L312 PolarHBondContact O-N 2.85Å | ||
| 311 | L | 46.8 | Very low | 39 | Very low | 82 Ų | 82 | 99.8 Ų | 99.8 | 43% | 0.429 | 50% | 0.498 | S | S | . | . | B | Isolated β-bridge | trans | -51.7 | 109.6 | 156.5 | -86.9 | 156.6 | 0 | 0 | 0 | 105.9 | L304 L309 P313 | L304-L311 HydrophobicContact CD1-CD1 3.61Å; L304-L311 HydrophobicContact CG-CD1 4.28Å; L309-L311 PolarHBondContact O-N 3.09Å; L311-P313 WeakPolarHBondContact O-CD 3.48Å; L311-P313 VanDerWaalsContact O-N 3.08Å |
| 312 | L | 46.2 | Very low | 38.8 | Very low | 13 Ų | 13 | 97.5 Ų | 97.5 | 7% | 0.068 | 50% | 0.5 | C | S | . | . | trans | -63.4 | 113 | -178.4 | -85.8 | 167.9 | 0 | 0 | 0 | 108.1 | L155 I165 L310 R314 H316 I320 | L155-L312 HydrophobicContact CB-CB 4.48Å; L155-L312 PolarHBondContact O-N 2.71Å; I165-L312 HydrophobicContact CB-CD2 3.99Å; I165-L312 HydrophobicContact CD1-CD2 4.09Å; I165-L312 HydrophobicContact CG2-CD2 3.47Å; I165-L312 VanDerWaalsContact CG2-CD2 3.47Å; I165-L312 HydrophobicContact CG2-CG 4.2Å; L310-L312 PolarHBondContact O-N 2.85Å; L312-R314 PolarHBondContact O-N 3.36Å; L312-H316 HydrophobicContact CD2-CB 4.28Å; L312-I320 HydrophobicContact CD1-CD1 4.47Å; L312-I320 HydrophobicContact CD2-CD1 4.2Å | ||
| 313 | P | 45.9 | Very low | 38.5 | Very low | 74 Ų | 74 | 101.5 Ų | 101.5 | 48% | 0.481 | 52% | 0.516 | S | S | . | . | trans | -60.7 | 131.1 | 166.6 | -14.4 | 30.1 | 0 | 0 | 0 | 106.3 | L311 A315 H316 | L311-P313 WeakPolarHBondContact O-CD 3.48Å; L311-P313 VanDerWaalsContact O-N 3.08Å; P313-A315 PolarHBondContact O-N 3.18Å; P313-H316 PolarHBondContact O-N 3.21Å | ||
| 314 | R | 44 | Very low | 38.8 | Very low | 159 Ų | 159 | 101.4 Ų | 101.4 | 60% | 0.6 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -51.6 | -27.9 | -177.5 | -78.1 | -178.5 | -179 | 158.2 | 5.8 | 113 | L312 H316 M317 | L312-R314 PolarHBondContact O-N 3.36Å; R314-H316 VanDerWaalsContact C-N 3.26Å; R314-H316 PolarHBondContact O-N 3.03Å; R314-M317 PolarHBondContact O-N 2.69Å; R314-M317 VanDerWaalsContact O-N 3.16Å |
| 315 | A | 43 | Very low | 39 | Very low | 73 Ų | 73 | 100.3 Ų | 100.3 | 60% | 0.603 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -56.9 | -34.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | P313 M317 N318 | P313-A315 PolarHBondContact O-N 3.18Å; A315-M317 VanDerWaalsContact C-N 3.35Å; A315-M317 PolarHBondContact O-N 3.4Å; A315-N318 WeakPolarHBondContact O-CB 3.44Å; A315-N318 PolarHBondContact O-N 3.12Å |
| 316 | H | 42.2 | Very low | 39.5 | Very low | 98 Ų | 98 | 96.1 Ų | 96.1 | 45% | 0.454 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -74.6 | -19.2 | 178.3 | -101.1 | -77.1 | 0 | 0 | 0 | 113.8 | L312 P313 R314 N318 S319 I320 | L312-H316 HydrophobicContact CD2-CB 4.28Å; P313-H316 PolarHBondContact O-N 3.21Å; R314-H316 VanDerWaalsContact C-N 3.26Å; R314-H316 PolarHBondContact O-N 3.03Å; H316-N318 PolarHBondContact O-N 2.97Å; H316-S319 PolarHBondContact O-N 3.01Å; H316-I320 WeakPolarHBondContact O-CG1 3.48Å |
| 317 | M | 40.8 | Very low | 39.6 | Very low | 12 Ų | 12 | 99.4 Ų | 99.4 | 6% | 0.059 | 51% | 0.51 | C | S | . | . | G | 310 helix | trans | -66.6 | -17 | 171.9 | -66.8 | -166.9 | 91.4 | 0 | 0 | 112.8 | G122 L155 R314 A315 S319 I320 | G122-M317 WeakPolarHBondContact O-CE 3.28Å; L155-M317 HydrophobicContact CD1-CE 4.26Å; L155-M317 HydrophobicContact CD1-SD 3.46Å; L155-M317 WeakPolarHBondContact CD1-SD 3.35Å; R314-M317 PolarHBondContact O-N 2.69Å; R314-M317 VanDerWaalsContact O-N 3.16Å; A315-M317 VanDerWaalsContact C-N 3.35Å; A315-M317 PolarHBondContact O-N 3.4Å; M317-S319 PolarHBondContact O-N 2.96Å; M317-I320 HydrophobicContact CG-CD1 4.4Å; M317-I320 PolarHBondContact O-N 2.83Å |
| 318 | N | 38.3 | Very low | 40 | Very low | 100 Ų | 100 | 91.9 Ų | 91.9 | 54% | 0.535 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -66.9 | -28.5 | 175.1 | -67.2 | -19.2 | 0 | 0 | 0 | 112 | R123 A315 H316 | R123-N318 PolarHBondContact NH2-O 3.45Å; A315-N318 WeakPolarHBondContact O-CB 3.44Å; A315-N318 PolarHBondContact O-N 3.12Å; H316-N318 PolarHBondContact O-N 2.97Å |
| 319 | S | 38.1 | Very low | 39.9 | Very low | 100 Ų | 100 | 89.8 Ų | 89.8 | 70% | 0.699 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -94.5 | 0.2 | -179.3 | -171.9 | 0 | 0 | 0 | 0 | 114.4 | H316 M317 | H316-S319 PolarHBondContact O-N 3.01Å; M317-S319 PolarHBondContact O-N 2.96Å |
| 320 | I | 39.5 | Very low | 39.8 | Very low | 51 Ų | 51 | 93.5 Ų | 93.5 | 26% | 0.262 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -91.8 | -0.9 | -172.7 | -64.5 | 173.1 | 0 | 0 | 0 | 112.6 | I165 L312 H316 M317 | I165-I320 WeakPolarHBondContact O-CD1 3.45Å; I165-I320 WeakPolarHBondContact O-CG1 3.12Å; L312-I320 HydrophobicContact CD1-CD1 4.47Å; L312-I320 HydrophobicContact CD2-CD1 4.2Å; H316-I320 WeakPolarHBondContact O-CG1 3.48Å; M317-I320 HydrophobicContact CG-CD1 4.4Å; M317-I320 PolarHBondContact O-N 2.83Å |
| 321 | S | 31.3 | Very low | 39.6 | Very low | 71 Ų | 71 | 92.8 Ų | 92.8 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | trans | -109.1 | 68.1 | 177.3 | -62.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 322 | D | 26.9 | Very low | 39 | Very low | 145 Ų | 145 | 93.8 Ų | 93.8 | 78% | 0.775 | 51% | 0.509 | S | S | * | . | trans | -152.9 | 121.6 | 152.1 | -87.3 | -36.9 | 0 | 0 | 0 | 107.6 | ||||
| 323 | Q | 31.3 | Very low | 38.3 | Very low | 229 Ų | 229 | 101.1 Ų | 101.1 | 100% | 1.07 | 55% | 0.549 | S | S | * | . | trans | 92.1 | 0 | 175.1 | -55.3 | 171.1 | 0 | 0 | 0 | 117.6 |
Retrieved 323 of 323 residues in 333.4 ms
(Link to these results)