| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.5 | Very low | 46.2 | Very low | 240 Ų | 240 | 142.2 Ų | 142.2 | 100% | 1.182 | 83% | 0.833 | S | S | * | * | 0 | 92.2 | 0 | -60.1 | -128.4 | 171 | 0 | 0 | 105 | |||||
| 2 | A | 43.1 | Very low | 45.4 | Very low | 93 Ų | 93 | 143.1 Ų | 143.1 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | 66.5 | 128.4 | 96 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 3 | D | 39.8 | Very low | 45.1 | Very low | 149 Ų | 149 | 138.2 Ų | 138.2 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | cis | -176 | 174.7 | -0.8 | -138.7 | -46.6 | 0 | 0 | 0 | 106.3 | ||||
| 4 | S | 50.6 | Low | 45.1 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | trans | 85.5 | 96.2 | 156.9 | -55 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 5 | S | 49.2 | Very low | 45.4 | Very low | 114 Ų | 114 | 136.3 Ų | 136.3 | 80% | 0.797 | 83% | 0.825 | S | S | * | * | trans | -65.3 | 168.5 | 142.3 | -46.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 6 | P | 59.5 | Low | 45.6 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 79% | 0.792 | 83% | 0.832 | S | S | * | * | trans | -123.8 | 119 | 140.8 | 25.7 | -9.2 | 0 | 0 | 0 | 110.4 | ||||
| 7 | A | 43.9 | Very low | 46.3 | Very low | 88 Ų | 88 | 139.8 Ų | 139.8 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | 65.8 | 94.4 | 95.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 8 | L | 43.5 | Very low | 46.9 | Very low | 173 Ų | 173 | 138.9 Ų | 138.9 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | 60.8 | 102.7 | 96.1 | -65.9 | -166.6 | 0 | 0 | 0 | 115.2 | |||||
| 9 | S | 47.4 | Very low | 47.6 | Very low | 124 Ų | 124 | 144.2 Ų | 144.2 | 87% | 0.867 | 83% | 0.827 | S | S | * | * | trans | -108.2 | 102.2 | 150.4 | 20.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 10 | L | 47.4 | Very low | 47.7 | Very low | 163 Ų | 163 | 143.5 Ų | 143.5 | 85% | 0.853 | 83% | 0.828 | S | S | * | * | trans | -52.8 | 142.7 | 153.3 | -102 | 145.8 | 0 | 0 | 0 | 109.9 | ||||
| 11 | R | 42.8 | Very low | 48.1 | Very low | 190 Ų | 190 | 142.1 Ų | 142.1 | 72% | 0.717 | 83% | 0.826 | S | S | * | * | 165.1 | 127.8 | 115.4 | -171.6 | 71 | 178.2 | 176.7 | 12.5 | 111.9 | |||||
| 12 | E | 37.2 | Very low | 48.9 | Very low | 153 Ų | 153 | 135 Ų | 135 | 72% | 0.715 | 81% | 0.805 | S | S | * | * | trans | 53.4 | 133.5 | 154.6 | -76.8 | 168.5 | 145 | 0 | 0 | 119.3 | ||||
| 13 | G | 41.9 | Very low | 49.4 | Very low | 80 Ų | 80 | 136.6 Ų | 136.6 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | cis | 121.6 | 103.4 | 37.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 14 | G | 44 | Very low | 50.2 | Low | 73 Ų | 73 | 134.5 Ų | 134.5 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | trans | -167.4 | 65.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R16 | G14-R16 PolarHBondContact O-N 3.21Š| ||
| 15 | L | 49.8 | Very low | 50.7 | Low | 175 Ų | 175 | 134.9 Ų | 134.9 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | trans | 13.9 | 99.7 | 152.7 | -56.8 | 173.1 | 0 | 0 | 0 | 117 | A17 | L15-A17 PolarHBondContact O-N 3.45Å; L15-A17 VanDerWaalsContact O-N 3.09Å | ||
| 16 | R | 49.3 | Very low | 51.2 | Low | 248 Ų | 248 | 134.6 Ų | 134.6 | 94% | 0.936 | 80% | 0.801 | S | S | * | * | trans | -66.9 | 100.3 | 161.7 | -174.8 | -179.9 | -178.5 | -174.5 | 0.8 | 108.6 | G14 | G14-R16 PolarHBondContact O-N 3.21Š| ||
| 17 | A | 57.4 | Low | 50.9 | Low | 83 Ų | 83 | 134.7 Ų | 134.7 | 69% | 0.686 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -59 | 132.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L15 | L15-A17 PolarHBondContact O-N 3.45Å; L15-A17 VanDerWaalsContact O-N 3.09Å |
| 18 | P | 56.1 | Low | 51.3 | Low | 125 Ų | 125 | 141.4 Ų | 141.4 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 135.3 | 173.1 | 28.8 | -31.6 | 0 | 0 | 0 | 110.2 | ||
| 19 | R | 60.6 | Low | 51.3 | Low | 239 Ų | 239 | 138.7 Ų | 138.7 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 137.5 | 173.9 | -65.7 | 179.1 | 173.7 | -160 | -2.5 | 109.5 | S21 | R19-S21 PolarHBondContact O-N 3.28Š|
| 20 | P | 50.6 | Low | 51.9 | Low | 130 Ų | 130 | 144.8 Ų | 144.8 | 84% | 0.844 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 123.6 | 175.8 | 27 | -31.8 | 0 | 0 | 0 | 110.1 | A22 | P20-A22 PolarHBondContact O-N 3.24Š|
| 21 | S | 56.2 | Low | 51.9 | Low | 114 Ų | 114 | 142 Ų | 142 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 120.3 | 167.1 | 49 | 0 | 0 | 0 | 0 | 109.4 | R19 | R19-S21 PolarHBondContact O-N 3.28Š|
| 22 | A | 57.7 | Low | 52.4 | Low | 90 Ų | 90 | 135.7 Ų | 135.7 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 140.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | P20 S24 | P20-A22 PolarHBondContact O-N 3.24Å; A22-S24 PolarHBondContact O-N 3.38Å |
| 23 | P | 53 | Low | 53.3 | Low | 128 Ų | 128 | 133.6 Ų | 133.6 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 131.2 | 177.3 | 28.1 | -32.5 | 0 | 0 | 0 | 110.6 | ||
| 24 | S | 56.6 | Low | 53.9 | Low | 105 Ų | 105 | 135.7 Ų | 135.7 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 137.4 | 167.5 | 45.1 | 0 | 0 | 0 | 0 | 110.6 | A22 | A22-S24 PolarHBondContact O-N 3.38Š|
| 25 | P | 60.1 | Low | 54.5 | Low | 116 Ų | 116 | 136.7 Ų | 136.7 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 146.7 | 179.4 | 28.6 | -33.4 | 0 | 0 | 0 | 111.3 | ||
| 26 | P | 60.4 | Low | 54.9 | Low | 108 Ų | 108 | 135.8 Ų | 135.8 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 149.4 | 178.7 | 29.4 | -34.2 | 0 | 0 | 0 | 111 | R28 | P26-R28 PolarHBondContact O-N 2.74Š|
| 27 | P | 53.1 | Low | 55.3 | Low | 124 Ų | 124 | 129.6 Ų | 129.6 | 81% | 0.805 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 119.3 | 170.9 | 28.1 | -31.4 | 0 | 0 | 0 | 108.6 | S29 | P27-S29 PolarHBondContact O-N 3.13Å; P27-S29 VanDerWaalsContact O-N 3.14Å |
| 28 | R | 51.7 | Low | 55.4 | Low | 228 Ų | 228 | 127.6 Ų | 127.6 | 86% | 0.86 | 74% | 0.738 | S | S | * | * | trans | -64.8 | 113.4 | 174.2 | -81.2 | -177.1 | 168.2 | -138 | -0.7 | 109.1 | P26 R30 | P26-R28 PolarHBondContact O-N 2.74Å; R28-R30 PolarHBondContact O-N 2.99Å | ||
| 29 | S | 45.1 | Very low | 55.5 | Low | 116 Ų | 116 | 128.4 Ų | 128.4 | 81% | 0.811 | 73% | 0.731 | S | S | * | * | trans | -60.5 | 120.7 | 163.6 | -63.1 | 0 | 0 | 0 | 0 | 109.1 | P27 S31 | P27-S29 PolarHBondContact O-N 3.13Å; P27-S29 VanDerWaalsContact O-N 3.14Å; S29-S31 PolarHBondContact O-N 3.24Å | ||
| 30 | R | 58.9 | Low | 55.3 | Low | 253 Ų | 253 | 122.6 Ų | 122.6 | 96% | 0.955 | 72% | 0.716 | S | S | * | * | trans | -48.1 | 123.1 | 163.8 | -114.1 | 175.2 | 168.9 | -176.6 | -3.9 | 109.7 | R28 | R28-R30 PolarHBondContact O-N 2.99Š| ||
| 31 | S | 47.4 | Very low | 55.8 | Low | 103 Ų | 103 | 120.1 Ų | 120.1 | 72% | 0.72 | 70% | 0.703 | S | S | * | * | trans | -159.1 | 106.9 | 157.7 | -173.6 | 0 | 0 | 0 | 0 | 110.5 | S29 | S29-S31 PolarHBondContact O-N 3.24Š| ||
| 32 | G | 53.2 | Low | 56.2 | Low | 58 Ų | 58 | 119.7 Ų | 119.7 | 60% | 0.598 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 65 | 116.3 | 144.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 33 | S | 57.1 | Low | 56.3 | Low | 109 Ų | 109 | 118 Ų | 118 | 76% | 0.762 | 67% | 0.673 | S | S | * | * | trans | 72.3 | 67 | 153.1 | -39.8 | 0 | 0 | 0 | 0 | 115 | E37 | S33-E37 VanDerWaalsContact O-OE1 3.09Š| ||
| 34 | E | 54 | Low | 56.6 | Low | 125 Ų | 125 | 117.6 Ų | 117.6 | 58% | 0.584 | 66% | 0.664 | S | S | * | * | trans | -128 | 18.6 | 179.6 | -49 | -177.7 | 123.4 | 0 | 0 | 112.6 | A38 | E34-A38 WeakPolarHBondContact O-CB 3.49Š| ||
| 35 | S | 57.1 | Low | 56.8 | Low | 93 Ų | 93 | 116.3 Ų | 116.3 | 65% | 0.65 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -89.6 | -36.4 | -171.8 | -55.8 | 0 | 0 | 0 | 0 | 112.6 | E39 | S35-E39 WeakPolarHBondContact O-CG 3.06Å; S35-E39 PolarHBondContact O-N 2.81Å |
| 36 | E | 57.6 | Low | 56.9 | Low | 156 Ų | 156 | 121.1 Ų | 121.1 | 73% | 0.729 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -87.9 | -39.2 | -174.1 | -56.5 | -166.3 | 139.5 | 0 | 0 | 112.1 | A38 E39 L40 | E36-A38 PolarHBondContact O-N 3.02Å; E36-E39 PolarHBondContact O-N 2.79Å; E36-L40 WeakPolarHBondContact O-CG 3Å; E36-L40 PolarHBondContact O-N 3.36Å; E36-L40 VanDerWaalsContact O-N 3.1Å |
| 37 | E | 56.8 | Low | 56.8 | Low | 119 Ų | 119 | 120.1 Ų | 120.1 | 56% | 0.556 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.7 | -28.4 | 174.8 | 56.4 | -118.2 | 91.2 | 0 | 0 | 113.9 | S33 S41 | S33-E37 VanDerWaalsContact O-OE1 3.09Å; E37-S41 VanDerWaalsContact O-CB 3.25Å; E37-S41 WeakPolarHBondContact O-CB 3.48Å; E37-S41 PolarHBondContact O-N 3.13Å; E37-S41 PolarHBondContact O-OG 2.88Å |
| 38 | A | 60 | Low | 57.3 | Low | 41 Ų | 41 | 123.5 Ų | 123.5 | 34% | 0.339 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -71.5 | -38.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | E34 E36 S41 L42 | E34-A38 WeakPolarHBondContact O-CB 3.49Å; E36-A38 PolarHBondContact O-N 3.02Å; A38-S41 PolarHBondContact O-N 3.25Å; A38-L42 VanDerWaalsContact O-CB 3.26Å; A38-L42 WeakPolarHBondContact O-CB 3.27Å; A38-L42 VanDerWaalsContact O-CD1 3.31Å; A38-L42 WeakPolarHBondContact O-CD1 3.47Å; A38-L42 VanDerWaalsContact O-CG 3.24Å; A38-L42 WeakPolarHBondContact O-CG 3.22Å; A38-L42 PolarHBondContact O-N 3.29Å |
| 39 | E | 59 | Low | 57.9 | Low | 142 Ų | 142 | 118.3 Ų | 118.3 | 66% | 0.664 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67 | -38.9 | 174.7 | -76.9 | -164.3 | 165.5 | 0 | 0 | 112.4 | S35 E36 L42 S43 | S35-E39 WeakPolarHBondContact O-CG 3.06Å; S35-E39 PolarHBondContact O-N 2.81Å; E36-E39 PolarHBondContact O-N 2.79Å; E39-L42 PolarHBondContact O-N 3.01Å; E39-S43 WeakPolarHBondContact O-CB 3.28Å; E39-S43 PolarHBondContact O-N 3.23Å; E39-S43 PolarHBondContact O-OG 3.45Å |
| 40 | L | 56.2 | Low | 58.8 | Low | 116 Ų | 116 | 121.7 Ų | 121.7 | 61% | 0.607 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -67.4 | -37.2 | 173.6 | -66.6 | 174.9 | 0 | 0 | 0 | 112.1 | E36 S43 L44 | E36-L40 WeakPolarHBondContact O-CG 3Å; E36-L40 PolarHBondContact O-N 3.36Å; E36-L40 VanDerWaalsContact O-N 3.1Å; L40-S43 VanDerWaalsContact CA-OG 3.29Å; L40-S43 WeakPolarHBondContact CA-OG 3.3Å; L40-S43 PolarHBondContact O-OG 3.04Å; L40-L44 PolarHBondContact O-N 2.89Å |
| 41 | S | 61.1 | Low | 59.5 | Low | 79 Ų | 79 | 113.6 Ų | 113.6 | 55% | 0.552 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.9 | -37.2 | 175.5 | -63.1 | 0 | 0 | 0 | 0 | 112.6 | E37 A38 A45 | E37-S41 VanDerWaalsContact O-CB 3.25Å; E37-S41 WeakPolarHBondContact O-CB 3.48Å; E37-S41 PolarHBondContact O-N 3.13Å; E37-S41 PolarHBondContact O-OG 2.88Å; A38-S41 PolarHBondContact O-N 3.25Å; S41-A45 VanDerWaalsContact O-CB 3.24Å; S41-A45 WeakPolarHBondContact O-CB 3.46Å; S41-A45 PolarHBondContact O-N 3.43Å |
| 42 | L | 63.3 | Low | 60.5 | Low | 105 Ų | 105 | 119.7 Ų | 119.7 | 55% | 0.55 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -71.5 | -33.9 | 175.5 | -78.8 | 157.8 | 0 | 0 | 0 | 112.1 | A38 E39 R46 | A38-L42 VanDerWaalsContact O-CB 3.26Å; A38-L42 WeakPolarHBondContact O-CB 3.27Å; A38-L42 VanDerWaalsContact O-CD1 3.31Å; A38-L42 WeakPolarHBondContact O-CD1 3.47Å; A38-L42 VanDerWaalsContact O-CG 3.24Å; A38-L42 WeakPolarHBondContact O-CG 3.22Å; A38-L42 PolarHBondContact O-N 3.29Å; E39-L42 PolarHBondContact O-N 3.01Å; L42-R46 WeakPolarHBondContact O-CG 3.31Å; L42-R46 PolarHBondContact O-N 3.4Å |
| 43 | S | 60.1 | Low | 61.5 | Low | 54 Ų | 54 | 120 Ų | 120 | 38% | 0.378 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -73.2 | -38.8 | 174.7 | 54.8 | 0 | 0 | 0 | 0 | 112.2 | E39 L40 R46 T47 | E39-S43 WeakPolarHBondContact O-CB 3.28Å; E39-S43 PolarHBondContact O-N 3.23Å; E39-S43 PolarHBondContact O-OG 3.45Å; L40-S43 VanDerWaalsContact CA-OG 3.29Å; L40-S43 WeakPolarHBondContact CA-OG 3.3Å; L40-S43 PolarHBondContact O-OG 3.04Å; S43-R46 PolarHBondContact O-N 3.14Å; S43-T47 PolarHBondContact O-N 3.14Å |
| 44 | L | 59.6 | Low | 62.3 | Low | 120 Ų | 120 | 117.2 Ų | 117.2 | 63% | 0.628 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.7 | -32.1 | 169.5 | -103.4 | 72.4 | 0 | 0 | 0 | 113.1 | L40 R46 T47 | L40-L44 PolarHBondContact O-N 2.89Å; L44-R46 PolarHBondContact O-N 2.91Å; L44-T47 CarbonylContact O-C 3.51Å; L44-T47 PolarHBondContact O-N 3.09Å; L44-T47 VanDerWaalsContact O-N 3.16Å; L44-T47 VanDerWaalsContact O-O 3.08Å; L44-T47 PolarHBondContact O-OG1 3.23Å; L44-T47 VanDerWaalsContact O-OG1 3.12Å |
| 45 | A | 60.4 | Low | 63 | Low | 78 Ų | 78 | 117.7 Ų | 117.7 | 65% | 0.645 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.3 | -23.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | S41 | S41-A45 VanDerWaalsContact O-CB 3.24Å; S41-A45 WeakPolarHBondContact O-CB 3.46Å; S41-A45 PolarHBondContact O-N 3.43Å |
| 46 | R | 61.9 | Low | 63.1 | Low | 217 Ų | 217 | 116.3 Ų | 116.3 | 82% | 0.819 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -79.7 | -27.6 | 173.5 | -70.1 | 172.5 | -175.3 | -170.7 | 3.1 | 112.4 | L42 S43 L44 K48 | L42-R46 WeakPolarHBondContact O-CG 3.31Å; L42-R46 PolarHBondContact O-N 3.4Å; S43-R46 PolarHBondContact O-N 3.14Å; L44-R46 PolarHBondContact O-N 2.91Å; R46-K48 PolarHBondContact O-N 2.96Å |
| 47 | T | 59.3 | Low | 62.8 | Low | 87 Ų | 87 | 113.3 Ų | 113.3 | 53% | 0.534 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -88.5 | 85.2 | 173.3 | 58.4 | 0 | 0 | 0 | 0 | 108.6 | S43 L44 T49 | S43-T47 PolarHBondContact O-N 3.14Å; L44-T47 CarbonylContact O-C 3.51Å; L44-T47 PolarHBondContact O-N 3.09Å; L44-T47 VanDerWaalsContact O-N 3.16Å; L44-T47 VanDerWaalsContact O-O 3.08Å; L44-T47 PolarHBondContact O-OG1 3.23Å; L44-T47 VanDerWaalsContact O-OG1 3.12Å; T47-T49 VanDerWaalsContact C-N 3.3Å; T47-T49 PolarHBondContact O-N 3.23Å |
| 48 | K | 64.1 | Low | 62.7 | Low | 195 Ų | 195 | 114.8 Ų | 114.8 | 85% | 0.848 | 64% | 0.639 | S | S | * | * | trans | -55.3 | 96.5 | 172.5 | -173.4 | 171 | -179.7 | 176.5 | 0 | 108.6 | R46 R50 | R46-K48 PolarHBondContact O-N 2.96Å; K48-R50 PolarHBondContact O-N 2.98Å | ||
| 49 | T | 63.1 | Low | 62.5 | Low | 119 Ų | 119 | 121 Ų | 121 | 73% | 0.73 | 65% | 0.653 | S | S | * | * | trans | -55.5 | 115.8 | 173.9 | 51.6 | 0 | 0 | 0 | 0 | 105.9 | T47 S51 | T47-T49 VanDerWaalsContact C-N 3.3Å; T47-T49 PolarHBondContact O-N 3.23Å; T49-S51 VanDerWaalsContact C-N 3.34Å; T49-S51 PolarHBondContact O-N 3.4Å | ||
| 50 | R | 65.4 | Low | 62.2 | Low | 187 Ų | 187 | 117.5 Ų | 117.5 | 71% | 0.706 | 65% | 0.649 | S | S | * | * | trans | -63.2 | 103.5 | 177.8 | -128.8 | 174.3 | -178.2 | -101.1 | 0.5 | 104.9 | K48 Y52 | K48-R50 PolarHBondContact O-N 2.98Å; R50-Y52 PolarHBondContact O-N 3.03Å | ||
| 51 | S | 73.8 | Confident | 62.1 | Low | 82 Ų | 82 | 116.9 Ų | 116.9 | 57% | 0.573 | 65% | 0.652 | S | S | * | * | trans | -53.8 | 129.8 | 178 | 177 | 0 | 0 | 0 | 0 | 108.4 | T49 G53 S54 | T49-S51 VanDerWaalsContact C-N 3.34Å; T49-S51 PolarHBondContact O-N 3.4Å; S51-G53 PolarHBondContact O-N 3.23Å; S51-S54 VanDerWaalsContact O-CB 3.32Å; S51-S54 WeakPolarHBondContact O-CB 3.28Å; S51-S54 PolarHBondContact O-N 3.23Å; S51-S54 PolarHBondContact O-OG 3.15Å | ||
| 52 | Y | 68.6 | Low | 61.8 | Low | 232 Ų | 232 | 120 Ų | 120 | 91% | 0.91 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.8 | 127.2 | 175 | -174.5 | -96.5 | 0 | 0 | 0 | 109 | R50 | R50-Y52 PolarHBondContact O-N 3.03Š|
| 53 | G | 73.3 | Confident | 61.3 | Low | 64 Ų | 64 | 117.4 Ų | 117.4 | 66% | 0.66 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.7 | 5.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | S51 T55 | S51-G53 PolarHBondContact O-N 3.23Å; G53-T55 PolarHBondContact O-N 2.73Å |
| 54 | S | 74.7 | Confident | 61.1 | Low | 51 Ų | 51 | 120.6 Ų | 120.6 | 36% | 0.357 | 69% | 0.69 | S | S | . | * | trans | -63.8 | 98.7 | 169.1 | -66.9 | 0 | 0 | 0 | 0 | 110.9 | S51 A56 | S51-S54 VanDerWaalsContact O-CB 3.32Å; S51-S54 WeakPolarHBondContact O-CB 3.28Å; S51-S54 PolarHBondContact O-N 3.23Å; S51-S54 PolarHBondContact O-OG 3.15Å; S54-A56 PolarHBondContact O-N 2.87Å | ||
| 55 | T | 68.8 | Low | 61 | Low | 134 Ų | 134 | 115.6 Ų | 115.6 | 82% | 0.822 | 67% | 0.668 | S | S | * | * | trans | -78 | 15.6 | 171 | 58.7 | 0 | 0 | 0 | 0 | 112.8 | G53 S57 | G53-T55 PolarHBondContact O-N 2.73Å; T55-S57 WeakPolarHBondContact O-CA 3.34Å; T55-S57 PolarHBondContact O-N 3.06Å | ||
| 56 | A | 57.9 | Low | 61.3 | Low | 65 Ų | 65 | 113.8 Ų | 113.8 | 54% | 0.537 | 65% | 0.648 | S | S | . | * | trans | -51.7 | 106.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | S54 | S54-A56 PolarHBondContact O-N 2.87Š| ||
| 57 | S | 52.3 | Low | 62 | Low | 92 Ų | 92 | 106.8 Ų | 106.8 | 64% | 0.643 | 63% | 0.626 | S | S | * | * | trans | -18.7 | 123.9 | -163.3 | -161.8 | 0 | 0 | 0 | 0 | 116.2 | T55 R59 | T55-S57 WeakPolarHBondContact O-CA 3.34Å; T55-S57 PolarHBondContact O-N 3.06Å; S57-R59 PolarHBondContact O-N 2.83Å | ||
| 58 | V | 53.5 | Low | 63 | Low | 150 Ų | 150 | 107 Ų | 107 | 91% | 0.909 | 62% | 0.621 | S | S | * | * | trans | -65.3 | 62.9 | 156.6 | -173.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 59 | R | 56.1 | Low | 64.2 | Low | 172 Ų | 172 | 105 Ų | 105 | 65% | 0.649 | 61% | 0.609 | S | S | * | * | trans | -115.2 | 44.3 | 158.8 | -143.3 | 175.9 | -175 | 171.8 | -1.6 | 106.9 | S57 E68 | S57-R59 PolarHBondContact O-N 2.83Å; R59-E68 IonicContact CZ-OE2 3.9Å; R59-E68 IonicContact NE-OE2 3.93Å; R59-E68 IonicContact NH2-OE2 3.02Å; R59-E68 PolarHBondContact NH2-OE2 3.18Å | ||
| 60 | A | 53.7 | Low | 65.5 | Low | 69 Ų | 69 | 104.2 Ų | 104.2 | 57% | 0.57 | 60% | 0.596 | S | S | * | * | trans | -61.4 | 125.1 | 157.5 | 0 | 0 | 0 | 0 | 0 | 105.3 | L62 | A60-L62 PolarHBondContact O-N 2.76Å; A60-L62 VanDerWaalsContact O-N 3.07Å | ||
| 61 | P | 53 | Low | 66.7 | Low | 102 Ų | 102 | 97.7 Ų | 97.7 | 66% | 0.662 | 58% | 0.577 | S | S | * | * | trans | -57 | 121.5 | 171.4 | 25.1 | -30.6 | 0 | 0 | 0 | 106.2 | G63 | P61-G63 VanDerWaalsContact C-N 3.28Å; P61-G63 PolarHBondContact O-N 3.42Å | ||
| 62 | L | 54.3 | Low | 67.7 | Low | 144 Ų | 144 | 100.4 Ų | 100.4 | 75% | 0.754 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -57.2 | 98 | 170.9 | -83.9 | 83.5 | 0 | 0 | 0 | 106.9 | A60 V66 | A60-L62 PolarHBondContact O-N 2.76Å; A60-L62 VanDerWaalsContact O-N 3.07Å; L62-V66 HydrophobicContact CB-CG2 4.27Å; L62-V66 VanDerWaalsContact O-CB 3.3Å; L62-V66 WeakPolarHBondContact O-CB 3.46Å; L62-V66 WeakPolarHBondContact O-CG2 3.12Å |
| 63 | G | 52.8 | Low | 68.9 | Low | 52 Ų | 52 | 90.1 Ų | 90.1 | 54% | 0.536 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 150.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | P61 G65 | P61-G63 VanDerWaalsContact C-N 3.28Å; P61-G63 PolarHBondContact O-N 3.42Å; G63-G65 PolarHBondContact O-N 3.48Å |
| 64 | A | 55.8 | Low | 69.9 | Low | 120 Ų | 120 | 96.1 Ų | 96.1 | 99% | 0.992 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | 20.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 65 | G | 58.7 | Low | 70.8 | Confident | 16 Ų | 16 | 94.8 Ų | 94.8 | 17% | 0.165 | 53% | 0.533 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.4 | -6.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | G63 K121 | G63-G65 PolarHBondContact O-N 3.48Å; G65-K121 PolarHBondContact O-N 2.98Å |
| 66 | V | 66.5 | Low | 71.8 | Confident | 39 Ų | 39 | 97.3 Ų | 97.3 | 24% | 0.236 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 108.3 | -179 | 179.8 | 0 | 0 | 0 | 0 | 109.9 | L62 I118 E120 | L62-V66 HydrophobicContact CB-CG2 4.27Å; L62-V66 VanDerWaalsContact O-CB 3.3Å; L62-V66 WeakPolarHBondContact O-CB 3.46Å; L62-V66 WeakPolarHBondContact O-CG2 3.12Å; V66-I118 HydrophobicContact CG1-CG2 3.21Å; V66-E120 HydrophobicContact CG2-CG 4.21Å |
| 67 | I | 75.9 | Confident | 73.3 | Confident | 70 Ų | 70 | 99.3 Ų | 99.3 | 36% | 0.359 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 106.9 | 177.5 | -53.8 | 175.3 | 0 | 0 | 0 | 107.9 | R69 S119 K121 | I67-R69 HydrophobicContact CG2-CG 3.79Å; I67-R69 PolarHBondContact O-N 2.64Å; I67-S119 PolarHBondContact N-O 3.49Å; I67-S119 PolarHBondContact O-N 3.03Å; I67-K121 HydrophobicContact CD1-CD 3.99Å; I67-K121 HydrophobicContact CD1-CG 4.11Å |
| 68 | E | 81.6 | Confident | 75 | Confident | 92 Ų | 92 | 98 Ų | 98 | 43% | 0.43 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 108.5 | 167 | -69.7 | -172.6 | 177.8 | 0 | 0 | 108.8 | R59 | R59-E68 IonicContact CZ-OE2 3.9Å; R59-E68 IonicContact NE-OE2 3.93Å; R59-E68 IonicContact NH2-OE2 3.02Å; R59-E68 PolarHBondContact NH2-OE2 3.18Å |
| 69 | R | 87.7 | Confident | 76.7 | Confident | 154 Ų | 154 | 92.9 Ų | 92.9 | 58% | 0.581 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 139.3 | 171 | -65 | -158.8 | -64.6 | 165.2 | -2.7 | 110.3 | I67 P116 V117 | I67-R69 HydrophobicContact CG2-CG 3.79Å; I67-R69 PolarHBondContact O-N 2.64Å; R69-P116 CarbonylContact O-C 3.4Å; R69-V117 PolarHBondContact N-O 3.25Å; R69-V117 WeakPolarHBondContact O-CA 3.5Å; R69-V117 PolarHBondContact O-N 2.94Å |
| 70 | H | 90.4 | Very high | 78.5 | Confident | 102 Ų | 102 | 88.3 Ų | 88.3 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 119.5 | 176.5 | -73.7 | 90.4 | 0 | 0 | 0 | 109.1 | N114 I115 | H70-N114 VanDerWaalsContact CB-OD1 3.23Å; H70-N114 WeakPolarHBondContact CB-OD1 3.24Å; H70-N114 PolarHBondContact CD2-OD1 3.35Å; H70-I115 WeakPolarHBondContact CA-O 3.46Å |
| 71 | V | 92.3 | Very high | 80.3 | Confident | 50 Ų | 50 | 86.1 Ų | 86.1 | 30% | 0.303 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 127.7 | 177.5 | -179.5 | 0 | 0 | 0 | 0 | 109 | Y88 I115 V117 | V71-Y88 HydrophobicContact CB-CE1 4.43Å; V71-Y88 HydrophobicContact CG1-CE1 3.89Å; V71-I115 PolarHBondContact N-O 3.38Å; V71-I115 PolarHBondContact O-N 3.49Å; V71-V117 HydrophobicContact CB-CG2 4.18Å; V71-V117 HydrophobicContact CG2-CB 4.34Å; V71-V117 HydrophobicContact CG2-CG2 3.68Å |
| 72 | E | 94.5 | Very high | 82.1 | Confident | 139 Ų | 139 | 87 Ų | 87 | 65% | 0.65 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 119.8 | 173.2 | -170.2 | 172.6 | -169.9 | 0 | 0 | 110.2 | T112 L113 | E72-T112 HydrophobicContact CG-CG2 4.11Å; E72-T112 WeakPolarHBondContact OE1-CB 3.42Å; E72-T112 VanDerWaalsContact OE1-CG2 3.27Å; E72-T112 WeakPolarHBondContact OE1-CG2 3.49Å; E72-T112 PolarHBondContact OE1-OG1 3.15Å; E72-L113 WeakPolarHBondContact CA-O 3.47Å |
| 73 | H | 93.9 | Very high | 84 | Confident | 15 Ų | 15 | 81.7 Ų | 81.7 | 7% | 0.069 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 123.4 | 178.3 | 179.4 | 80.2 | 0 | 0 | 0 | 110.5 | D79 Y88 T112 L113 I115 | H73-D79 IonicContact NE2-OD2 3.45Å; H73-D79 PolarHBondContact NE2-OD2 3.33Å; H73-Y88 HydrophobicContact CB-CE2 4.17Å; H73-Y88 AromaticContact CG-CE2 3.91Å; H73-Y88 AromaticContact ND1-CE2 3.51Å; H73-Y88 AromaticContact ND1-CZ 3.62Å; H73-Y88 PolarHBondContact ND1-OH 2.88Å; H73-T112 CarbonylContact O-C 3.47Å; H73-T112 WeakPolarHBondContact O-CA 3.49Å; H73-L113 PolarHBondContact N-O 2.86Å; H73-L113 PolarHBondContact O-N 3.29Å; H73-I115 HydrophobicContact CB-CD1 3.46Å; H73-I115 VanDerWaalsContact CB-CD1 3.46Å; H73-I115 HydrophobicContact CB-CG1 4.24Å |
| 74 | R | 94.1 | Very high | 85.9 | Confident | 191 Ų | 191 | 79.3 Ų | 79.3 | 72% | 0.721 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 119.3 | 176.1 | -171.9 | 176.8 | 178.7 | -179 | -1.2 | 110.6 | K111 T112 | R74-K111 WeakPolarHBondContact CA-O 3.25Å; R74-K111 WeakPolarHBondContact CG-O 3.4Å; R74-T112 HydrophobicContact CB-CG2 4.3Å; R74-T112 HydrophobicContact CG-CG2 4.38Å |
| 75 | V | 92.3 | Very high | 87.7 | Confident | 22 Ų | 22 | 73.9 Ų | 73.9 | 13% | 0.133 | 39% | 0.388 | C | S | . | . | trans | -72.9 | 131.3 | -177.7 | -175.2 | 0 | 0 | 0 | 0 | 110 | D79 F108 K111 L113 | V75-D79 HydrophobicContact CG1-CB 4.36Å; V75-F108 HydrophobicContact CG1-CD1 4.04Å; V75-K111 PolarHBondContact N-O 2.91Å; V75-L113 HydrophobicContact CG2-CD1 3.86Å; V75-L113 HydrophobicContact CG2-CG 3.7Å | ||
| 76 | R | 91.6 | Very high | 89.3 | Confident | 188 Ų | 188 | 79.4 Ų | 79.4 | 71% | 0.709 | 41% | 0.413 | S | S | * | . | trans | -114.5 | 161.8 | 175.5 | -59.9 | -175.1 | 178.3 | -158 | -0.3 | 110.8 | G78 D79 | R76-G78 PolarHBondContact O-N 2.68Å; R76-D79 WeakPolarHBondContact CB-OD2 3.49Å; R76-D79 PolarHBondContact N-OD2 2.68Å; R76-D79 PolarHBondContact O-N 3.21Å; R76-D79 VanDerWaalsContact O-N 3.13Å | ||
| 77 | A | 88.3 | Confident | 90.5 | Very high | 107 Ų | 107 | 84.3 Ų | 84.3 | 88% | 0.884 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 121.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 78 | G | 87.6 | Confident | 91.3 | Very high | 65 Ų | 65 | 83.6 Ų | 83.6 | 67% | 0.67 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.2 | -11.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115 | R76 | R76-G78 PolarHBondContact O-N 2.68Š|
| 79 | D | 90.6 | Very high | 91.7 | Very high | 42 Ų | 42 | 82.8 Ų | 82.8 | 23% | 0.225 | 44% | 0.44 | C | S | . | . | trans | -67.4 | 137.7 | 171 | -71.5 | -27.2 | 0 | 0 | 0 | 110 | H73 V75 R76 I84 I107 F108 | H73-D79 IonicContact NE2-OD2 3.45Å; H73-D79 PolarHBondContact NE2-OD2 3.33Å; V75-D79 HydrophobicContact CG1-CB 4.36Å; R76-D79 WeakPolarHBondContact CB-OD2 3.49Å; R76-D79 PolarHBondContact N-OD2 2.68Å; R76-D79 PolarHBondContact O-N 3.21Å; R76-D79 VanDerWaalsContact O-N 3.13Å; D79-I84 HydrophobicContact CB-CD1 4.09Å; D79-I84 HydrophobicContact CB-CG1 4.38Å; D79-I107 WeakPolarHBondContact O-CD1 3.26Å; D79-F108 WeakPolarHBondContact O-CE1 3.49Å; D79-F108 WeakPolarHBondContact O-CZ 3.44Å | ||
| 80 | T | 92.3 | Very high | 91.9 | Very high | 76 Ų | 76 | 76.1 Ų | 76.1 | 47% | 0.466 | 42% | 0.417 | S | S | . | . | trans | -116.8 | 149.9 | 172.9 | 64.7 | 0 | 0 | 0 | 0 | 109.3 | Q82 G83 I84 | T80-Q82 PolarHBondContact O-N 2.86Å; T80-G83 PolarHBondContact O-N 3.32Å; T80-G83 VanDerWaalsContact O-N 3.09Å; T80-G83 PolarHBondContact OG1-N 2.73Å; T80-I84 VanDerWaalsContact O-CG1 3.31Å; T80-I84 WeakPolarHBondContact O-CG1 3.13Å; T80-I84 PolarHBondContact O-N 3.03Å | ||
| 81 | L | 91.2 | Very high | 92 | Very high | 22 Ų | 22 | 74.2 Ų | 74.2 | 12% | 0.115 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59.5 | -35.9 | 179.5 | -178 | 64.9 | 0 | 0 | 0 | 111.1 | A85 M92 I95 K96 I107 | L81-A85 VanDerWaalsContact O-CB 3.28Å; L81-A85 WeakPolarHBondContact O-CB 3.43Å; L81-A85 PolarHBondContact O-N 3.25Å; L81-M92 HydrophobicContact CB-CE 4.25Å; L81-M92 HydrophobicContact CD2-CB 4.25Å; L81-M92 HydrophobicContact CD2-CE 3.82Å; L81-M92 HydrophobicContact CG-CB 4.39Å; L81-M92 HydrophobicContact CG-CE 4.09Å; L81-M92 HydrophobicContact CG-CG 4.29Å; L81-I95 HydrophobicContact CD1-CB 3.94Å; L81-I95 HydrophobicContact CD1-CD1 4.14Å; L81-I95 HydrophobicContact CD1-CG2 3.52Å; L81-K96 HydrophobicContact CD2-CD 4.16Å; L81-K96 HydrophobicContact CD2-CG 3.83Å; L81-I107 HydrophobicContact CB-CD1 4.36Å; L81-I107 HydrophobicContact CB-CG2 4.01Å; L81-I107 HydrophobicContact CD1-CG2 3.99Å; L81-I107 HydrophobicContact CG-CG2 4.41Å |
| 82 | Q | 92.6 | Very high | 92 | Very high | 121 Ų | 121 | 74.8 Ų | 74.8 | 57% | 0.565 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -66.3 | -45.7 | 174.3 | -173.2 | 179.2 | -0.3 | 0 | 0 | 111.8 | T80 I84 A85 L86 M92 | T80-Q82 PolarHBondContact O-N 2.86Å; Q82-I84 VanDerWaalsContact C-N 3.32Å; Q82-I84 PolarHBondContact O-N 3Å; Q82-A85 WeakPolarHBondContact O-CB 3.28Å; Q82-A85 PolarHBondContact O-N 2.86Å; Q82-L86 HydrophobicContact CG-CD1 4.37Å; Q82-L86 WeakPolarHBondContact O-CG 3.46Å; Q82-L86 PolarHBondContact O-N 3.31Å; Q82-M92 HydrophobicContact CB-SD 4.05Å; Q82-M92 HydrophobicContact CG-SD 4.37Å |
| 83 | G | 93.8 | Very high | 91.9 | Very high | 32 Ų | 32 | 73.1 Ų | 73.1 | 33% | 0.33 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T80 K87 | T80-G83 PolarHBondContact O-N 3.32Å; T80-G83 VanDerWaalsContact O-N 3.09Å; T80-G83 PolarHBondContact OG1-N 2.73Å; G83-K87 VanDerWaalsContact O-CB 3.3Å; G83-K87 WeakPolarHBondContact O-CB 3.41Å; G83-K87 PolarHBondContact O-N 2.98Å |
| 84 | I | 92.9 | Very high | 91.7 | Very high | 3 Ų | 3 | 74.6 Ų | 74.6 | 2% | 0.015 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.3 | -46 | 174.1 | -64.2 | 171 | 0 | 0 | 0 | 110.3 | D79 T80 Q82 L86 K87 Y88 I95 I107 L113 I115 | D79-I84 HydrophobicContact CB-CD1 4.09Å; D79-I84 HydrophobicContact CB-CG1 4.38Å; T80-I84 VanDerWaalsContact O-CG1 3.31Å; T80-I84 WeakPolarHBondContact O-CG1 3.13Å; T80-I84 PolarHBondContact O-N 3.03Å; Q82-I84 VanDerWaalsContact C-N 3.32Å; Q82-I84 PolarHBondContact O-N 3Å; I84-L86 VanDerWaalsContact C-N 3.34Å; I84-L86 PolarHBondContact O-N 3.33Å; I84-K87 PolarHBondContact O-N 3.44Å; I84-Y88 HydrophobicContact CG2-CD2 3.84Å; I84-Y88 HydrophobicContact CG2-CE2 4.05Å; I84-Y88 VanDerWaalsContact O-CD2 3.28Å; I84-Y88 WeakPolarHBondContact O-CD2 3.23Å; I84-Y88 PolarHBondContact O-N 3.24Å; I84-Y88 VanDerWaalsContact O-N 3.13Å; I84-I95 HydrophobicContact CG2-CD1 3.96Å; I84-I107 HydrophobicContact CD1-CD1 4.07Å; I84-L113 HydrophobicContact CD1-CD1 3.88Å; I84-I115 HydrophobicContact CG2-CD1 3.36Å; I84-I115 HydrophobicContact CG2-CG1 4.39Å |
| 85 | A | 92.7 | Very high | 91.6 | Very high | 6 Ų | 6 | 65.5 Ų | 65.5 | 5% | 0.05 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -54 | -50.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | L81 Q82 Y88 G89 V90 M92 I95 | L81-A85 VanDerWaalsContact O-CB 3.28Å; L81-A85 WeakPolarHBondContact O-CB 3.43Å; L81-A85 PolarHBondContact O-N 3.25Å; Q82-A85 WeakPolarHBondContact O-CB 3.28Å; Q82-A85 PolarHBondContact O-N 2.86Å; A85-Y88 PolarHBondContact O-N 2.92Å; A85-G89 PolarHBondContact O-N 2.89Å; A85-V90 CarbonylContact C-O 3.52Å; A85-V90 WeakPolarHBondContact CA-O 3.3Å; A85-V90 VanDerWaalsContact CB-O 3.28Å; A85-V90 WeakPolarHBondContact CB-O 3.39Å; A85-V90 PolarHBondContact O-N 2.72Å; A85-V90 VanDerWaalsContact O-O 3.13Å; A85-M92 HydrophobicContact CB-CG 3.93Å; A85-I95 HydrophobicContact CB-CD1 3.89Å |
| 86 | L | 92.6 | Very high | 91.6 | Very high | 131 Ų | 131 | 66.6 Ų | 66.6 | 69% | 0.686 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62 | -44.5 | 177.2 | -67.9 | 171.7 | 0 | 0 | 0 | 112.4 | Q82 I84 Y88 G89 | Q82-L86 HydrophobicContact CG-CD1 4.37Å; Q82-L86 WeakPolarHBondContact O-CG 3.46Å; Q82-L86 PolarHBondContact O-N 3.31Å; I84-L86 VanDerWaalsContact C-N 3.34Å; I84-L86 PolarHBondContact O-N 3.33Å; L86-Y88 PolarHBondContact O-N 2.64Å; L86-G89 PolarHBondContact O-N 3.27Å |
| 87 | K | 92.4 | Very high | 91.5 | Very high | 143 Ų | 143 | 66.2 Ų | 66.2 | 62% | 0.622 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -58.4 | -35.8 | 180 | 179.6 | 177.2 | -179.2 | 177.3 | 0 | 113.1 | G83 I84 | G83-K87 VanDerWaalsContact O-CB 3.3Å; G83-K87 WeakPolarHBondContact O-CB 3.41Å; G83-K87 PolarHBondContact O-N 2.98Å; I84-K87 PolarHBondContact O-N 3.44Å |
| 88 | Y | 91.2 | Very high | 91.6 | Very high | 55 Ų | 55 | 63 Ų | 63 | 22% | 0.216 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -102.9 | 0.3 | -175.9 | -70.3 | -81.3 | 0 | 0 | 0 | 113.6 | V71 H73 I84 A85 L86 V90 I115 V117 | V71-Y88 HydrophobicContact CB-CE1 4.43Å; V71-Y88 HydrophobicContact CG1-CE1 3.89Å; H73-Y88 HydrophobicContact CB-CE2 4.17Å; H73-Y88 AromaticContact CG-CE2 3.91Å; H73-Y88 AromaticContact ND1-CE2 3.51Å; H73-Y88 AromaticContact ND1-CZ 3.62Å; H73-Y88 PolarHBondContact ND1-OH 2.88Å; I84-Y88 HydrophobicContact CG2-CD2 3.84Å; I84-Y88 HydrophobicContact CG2-CE2 4.05Å; I84-Y88 VanDerWaalsContact O-CD2 3.28Å; I84-Y88 WeakPolarHBondContact O-CD2 3.23Å; I84-Y88 PolarHBondContact O-N 3.24Å; I84-Y88 VanDerWaalsContact O-N 3.13Å; A85-Y88 PolarHBondContact O-N 2.92Å; L86-Y88 PolarHBondContact O-N 2.64Å; Y88-V90 VanDerWaalsContact C-N 3.32Å; Y88-V90 PolarHBondContact O-N 3.31Å; Y88-I115 HydrophobicContact CD1-CD1 4.36Å; Y88-I115 HydrophobicContact CD1-CG2 4.41Å; Y88-I115 HydrophobicContact CD2-CD1 3.26Å; Y88-I115 HydrophobicContact CD2-CG2 4.33Å; Y88-I115 HydrophobicContact CE1-CD1 4.39Å; Y88-I115 HydrophobicContact CE2-CD1 3.31Å; Y88-I115 HydrophobicContact CG-CD1 3.84Å; Y88-I115 HydrophobicContact CG-CG2 3.92Å; Y88-V117 HydrophobicContact CD1-CG2 4Å |
| 89 | G | 90.8 | Very high | 91.9 | Very high | 74 Ų | 74 | 60.6 Ų | 60.6 | 76% | 0.763 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 32.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A85 L86 | A85-G89 PolarHBondContact O-N 2.89Å; L86-G89 PolarHBondContact O-N 3.27Å |
| 90 | V | 92.3 | Very high | 91.9 | Very high | 15 Ų | 15 | 67.3 Ų | 67.3 | 9% | 0.091 | 35% | 0.351 | C | S | . | . | trans | -122 | 163.9 | -178.1 | -60.8 | 0 | 0 | 0 | 0 | 110.3 | A85 Y88 I95 I115 P116 | A85-V90 CarbonylContact C-O 3.52Å; A85-V90 WeakPolarHBondContact CA-O 3.3Å; A85-V90 VanDerWaalsContact CB-O 3.28Å; A85-V90 WeakPolarHBondContact CB-O 3.39Å; A85-V90 PolarHBondContact O-N 2.72Å; A85-V90 VanDerWaalsContact O-O 3.13Å; Y88-V90 VanDerWaalsContact C-N 3.32Å; Y88-V90 PolarHBondContact O-N 3.31Å; V90-I95 HydrophobicContact CG2-CD1 3.56Å; V90-I95 HydrophobicContact CG2-CG1 3.58Å; V90-I115 HydrophobicContact CG1-CG2 4.2Å; V90-I115 HydrophobicContact CG2-CG2 3.78Å; V90-P116 WeakPolarHBondContact CG1-O 3.44Å | ||
| 91 | T | 92.8 | Very high | 91.7 | Very high | 62 Ų | 62 | 64.5 Ų | 64.5 | 38% | 0.38 | 33% | 0.333 | S | S | . | . | trans | -86.3 | 156 | 175.6 | 89.7 | 0 | 0 | 0 | 0 | 112.3 | E93 Q94 I95 | T91-E93 WeakPolarHBondContact CB-OE2 3.47Å; T91-E93 PolarHBondContact O-N 3.39Å; T91-E93 PolarHBondContact OG1-N 2.92Å; T91-E93 PolarHBondContact OG1-OE2 3.43Å; T91-Q94 WeakPolarHBondContact O-CB 3.45Å; T91-Q94 PolarHBondContact O-N 2.9Å; T91-Q94 VanDerWaalsContact O-N 3.16Å; T91-Q94 WeakPolarHBondContact OG1-CG 3.46Å; T91-Q94 PolarHBondContact OG1-N 2.86Å; T91-I95 PolarHBondContact O-N 3.37Å; T91-I95 VanDerWaalsContact O-N 3.16Å | ||
| 92 | M | 92.4 | Very high | 91.5 | Very high | 61 Ų | 61 | 70.8 Ų | 70.8 | 30% | 0.3 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60 | -37 | 176.7 | -66.9 | 176.2 | 63.5 | 0 | 0 | 111.4 | L81 Q82 A85 Q94 I95 K96 | L81-M92 HydrophobicContact CB-CE 4.25Å; L81-M92 HydrophobicContact CD2-CB 4.25Å; L81-M92 HydrophobicContact CD2-CE 3.82Å; L81-M92 HydrophobicContact CG-CB 4.39Å; L81-M92 HydrophobicContact CG-CE 4.09Å; L81-M92 HydrophobicContact CG-CG 4.29Å; Q82-M92 HydrophobicContact CB-SD 4.05Å; Q82-M92 HydrophobicContact CG-SD 4.37Å; A85-M92 HydrophobicContact CB-CG 3.93Å; M92-Q94 VanDerWaalsContact C-N 3.35Å; M92-I95 PolarHBondContact O-N 3.16Å; M92-K96 WeakPolarHBondContact O-CB 3.46Å; M92-K96 VanDerWaalsContact O-CG 3.27Å; M92-K96 WeakPolarHBondContact O-CG 3.4Å; M92-K96 PolarHBondContact O-N 3.23Å |
| 93 | E | 91.4 | Very high | 91.1 | Very high | 105 Ų | 105 | 70.7 Ų | 70.7 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.4 | -36.3 | 178.5 | -57 | 66.3 | -138.6 | 0 | 0 | 111.3 | T91 R97 | T91-E93 WeakPolarHBondContact CB-OE2 3.47Å; T91-E93 PolarHBondContact O-N 3.39Å; T91-E93 PolarHBondContact OG1-N 2.92Å; T91-E93 PolarHBondContact OG1-OE2 3.43Å; E93-R97 VanDerWaalsContact O-CB 3.28Å; E93-R97 WeakPolarHBondContact O-CB 3.23Å; E93-R97 VanDerWaalsContact O-CG 3.23Å; E93-R97 WeakPolarHBondContact O-CG 3.28Å; E93-R97 PolarHBondContact O-N 3.16Å; E93-R97 PolarHBondContact O-NE 3.49Å |
| 94 | Q | 90.9 | Very high | 90.5 | Very high | 46 Ų | 46 | 76.3 Ų | 76.3 | 22% | 0.215 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.4 | -46.7 | 174.6 | -71.8 | 172.3 | -27 | 0 | 0 | 110.7 | T91 M92 R97 A98 P116 | T91-Q94 WeakPolarHBondContact O-CB 3.45Å; T91-Q94 PolarHBondContact O-N 2.9Å; T91-Q94 VanDerWaalsContact O-N 3.16Å; T91-Q94 WeakPolarHBondContact OG1-CG 3.46Å; T91-Q94 PolarHBondContact OG1-N 2.86Å; M92-Q94 VanDerWaalsContact C-N 3.35Å; Q94-R97 PolarHBondContact O-N 3.32Å; Q94-A98 VanDerWaalsContact O-CB 3.3Å; Q94-A98 WeakPolarHBondContact O-CB 3.21Å; Q94-A98 PolarHBondContact O-N 3.2Å; Q94-P116 HydrophobicContact CB-CG 4.09Å |
| 95 | I | 91.5 | Very high | 90 | Very high | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 175.9 | -60.7 | 169.6 | 0 | 0 | 0 | 110.7 | L81 I84 A85 V90 T91 M92 R97 A98 N99 L113 I115 | L81-I95 HydrophobicContact CD1-CB 3.94Å; L81-I95 HydrophobicContact CD1-CD1 4.14Å; L81-I95 HydrophobicContact CD1-CG2 3.52Å; I84-I95 HydrophobicContact CG2-CD1 3.96Å; A85-I95 HydrophobicContact CB-CD1 3.89Å; V90-I95 HydrophobicContact CG2-CD1 3.56Å; V90-I95 HydrophobicContact CG2-CG1 3.58Å; T91-I95 PolarHBondContact O-N 3.37Å; T91-I95 VanDerWaalsContact O-N 3.16Å; M92-I95 PolarHBondContact O-N 3.16Å; I95-R97 PolarHBondContact O-N 3.31Å; I95-A98 PolarHBondContact O-N 2.85Å; I95-N99 WeakPolarHBondContact O-CB 2.96Å; I95-N99 PolarHBondContact O-N 2.83Å; I95-N99 PolarHBondContact O-ND2 2.77Å; I95-L113 HydrophobicContact CG2-CD1 4.44Å; I95-I115 HydrophobicContact CG1-CG2 4.38Å |
| 96 | K | 91.7 | Very high | 89.5 | Confident | 45 Ų | 45 | 82.7 Ų | 82.7 | 20% | 0.196 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -59.1 | -48.3 | 178.3 | -77 | 175.1 | -179.6 | -179.7 | 0 | 111.5 | L81 M92 N99 K100 L101 | L81-K96 HydrophobicContact CD2-CD 4.16Å; L81-K96 HydrophobicContact CD2-CG 3.83Å; M92-K96 WeakPolarHBondContact O-CB 3.46Å; M92-K96 VanDerWaalsContact O-CG 3.27Å; M92-K96 WeakPolarHBondContact O-CG 3.4Å; M92-K96 PolarHBondContact O-N 3.23Å; K96-N99 CarbonylContact O-C 3.53Å; K96-N99 PolarHBondContact O-N 3.11Å; K96-K100 WeakPolarHBondContact O-CA 3.27Å; K96-K100 PolarHBondContact O-N 3.02Å; K96-L101 HydrophobicContact CB-CB 4.33Å; K96-L101 HydrophobicContact CG-CB 4.21Å; K96-L101 PolarHBondContact O-N 2.74Å |
| 97 | R | 90.8 | Very high | 89.2 | Confident | 180 Ų | 180 | 77 Ų | 77 | 68% | 0.679 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -62.7 | -46.2 | 177.9 | -75.4 | -176 | -66.7 | 168.4 | -2.8 | 112.1 | E93 Q94 I95 N99 K100 | E93-R97 VanDerWaalsContact O-CB 3.28Å; E93-R97 WeakPolarHBondContact O-CB 3.23Å; E93-R97 VanDerWaalsContact O-CG 3.23Å; E93-R97 WeakPolarHBondContact O-CG 3.28Å; E93-R97 PolarHBondContact O-N 3.16Å; E93-R97 PolarHBondContact O-NE 3.49Å; Q94-R97 PolarHBondContact O-N 3.32Å; I95-R97 PolarHBondContact O-N 3.31Å; R97-N99 PolarHBondContact O-N 3.19Å; R97-K100 PolarHBondContact O-N 3.37Å |
| 98 | A | 90.4 | Very high | 88.8 | Confident | 38 Ų | 38 | 75.8 Ų | 75.8 | 31% | 0.314 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.2 | -34.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q94 I95 P116 | Q94-A98 VanDerWaalsContact O-CB 3.3Å; Q94-A98 WeakPolarHBondContact O-CB 3.21Å; Q94-A98 PolarHBondContact O-N 3.2Å; I95-A98 PolarHBondContact O-N 2.85Å; A98-P116 HydrophobicContact CB-CG 4.07Å |
| 99 | N | 91.9 | Very high | 88.4 | Confident | 16 Ų | 16 | 80.1 Ų | 80.1 | 9% | 0.086 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -98 | 2.3 | -179 | -69.7 | -76.9 | 0 | 0 | 0 | 114.4 | I95 K96 R97 L101 K110 L113 N114 | I95-N99 WeakPolarHBondContact O-CB 2.96Å; I95-N99 PolarHBondContact O-N 2.83Å; I95-N99 PolarHBondContact O-ND2 2.77Å; K96-N99 CarbonylContact O-C 3.53Å; K96-N99 PolarHBondContact O-N 3.11Å; R97-N99 PolarHBondContact O-N 3.19Å; N99-L101 HydrophobicContact CB-CD1 3.87Å; N99-L101 HydrophobicContact CB-CG 3.77Å; N99-L101 PolarHBondContact O-N 3.43Å; N99-K110 PolarHBondContact O-NZ 3.09Å; N99-L113 HydrophobicContact CB-CD2 4.2Å; N99-L113 WeakPolarHBondContact OD1-CA 3.35Å; N99-N114 PolarHBondContact ND2-N 3.07Å; N99-N114 PolarHBondContact ND2-O 2.79Å; N99-N114 PolarHBondContact OD1-N 2.76Å |
| 100 | K | 91 | Very high | 88.1 | Confident | 183 Ų | 183 | 80.3 Ų | 80.3 | 80% | 0.796 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 42.9 | -173.2 | -51.1 | 177.6 | -178.4 | -178.4 | 0 | 112.4 | K96 R97 | K96-K100 WeakPolarHBondContact O-CA 3.27Å; K96-K100 PolarHBondContact O-N 3.02Å; R97-K100 PolarHBondContact O-N 3.37Å |
| 101 | L | 89.6 | Confident | 87.9 | Confident | 17 Ų | 17 | 88.1 Ų | 88.1 | 9% | 0.089 | 43% | 0.432 | C | S | . | . | trans | -91.9 | 132.9 | 175.6 | -64.2 | 171.3 | 0 | 0 | 0 | 109.7 | K96 N99 D105 I107 K110 L113 | K96-L101 HydrophobicContact CB-CB 4.33Å; K96-L101 HydrophobicContact CG-CB 4.21Å; K96-L101 PolarHBondContact O-N 2.74Å; N99-L101 HydrophobicContact CB-CD1 3.87Å; N99-L101 HydrophobicContact CB-CG 3.77Å; N99-L101 PolarHBondContact O-N 3.43Å; L101-D105 HydrophobicContact CB-CB 4.45Å; L101-D105 HydrophobicContact CD2-CB 4.08Å; L101-I107 HydrophobicContact CD1-CG2 4.13Å; L101-K110 HydrophobicContact CD2-CD 3.96Å; L101-L113 HydrophobicContact CD1-CD2 3.93Å | ||
| 102 | F | 87 | Confident | 87.9 | Confident | 154 Ų | 154 | 87.7 Ų | 87.7 | 68% | 0.675 | 43% | 0.429 | S | S | * | . | trans | -83.4 | 167.5 | 170.4 | -64.4 | -79.9 | 0 | 0 | 0 | 111.3 | N104 D105 | F102-N104 PolarHBondContact O-N 2.79Å; F102-D105 WeakPolarHBondContact CD2-OD2 3.3Å; F102-D105 PolarHBondContact N-OD2 3.07Å; F102-D105 PolarHBondContact O-N 2.81Å; F102-D105 VanDerWaalsContact O-N 3.11Å | ||
| 103 | T | 82.6 | Confident | 87.9 | Confident | 118 Ų | 118 | 84.8 Ų | 84.8 | 72% | 0.724 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -31.4 | -177.6 | -51.8 | 0 | 0 | 0 | 0 | 113.1 | ||
| 104 | N | 81.4 | Confident | 88 | Confident | 150 Ų | 150 | 82.7 Ų | 82.7 | 80% | 0.802 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -6.3 | -178.4 | -59.8 | -44.5 | 0 | 0 | 0 | 113.6 | F102 C106 | F102-N104 PolarHBondContact O-N 2.79Å; N104-C106 PolarHBondContact O-N 3.03Å |
| 105 | D | 82.3 | Confident | 88.1 | Confident | 73 Ų | 73 | 80.5 Ų | 80.5 | 39% | 0.39 | 40% | 0.397 | S | S | . | . | trans | -78.4 | 126.9 | -175 | -67.1 | -14.1 | 0 | 0 | 0 | 110.7 | L101 F102 | L101-D105 HydrophobicContact CB-CB 4.45Å; L101-D105 HydrophobicContact CD2-CB 4.08Å; F102-D105 WeakPolarHBondContact CD2-OD2 3.3Å; F102-D105 PolarHBondContact N-OD2 3.07Å; F102-D105 PolarHBondContact O-N 2.81Å; F102-D105 VanDerWaalsContact O-N 3.11Å | ||
| 106 | C | 83.4 | Confident | 88.1 | Confident | 71 Ų | 71 | 81.2 Ų | 81.2 | 48% | 0.48 | 40% | 0.401 | S | S | . | . | trans | -80.2 | 130.2 | 173.6 | -46.1 | 0 | 0 | 0 | 0 | 110.5 | N104 F108 L109 | N104-C106 PolarHBondContact O-N 3.03Å; C106-F108 HydrophobicContact CB-CD2 4.37Å; C106-F108 PolarHBondContact O-N 3.49Å; C106-F108 VanDerWaalsContact O-N 3.14Å; C106-L109 HydrophobicContact CB-CD1 3.73Å; C106-L109 PolarHBondContact O-N 3.28Å; C106-L109 VanDerWaalsContact O-N 3.14Å | ||
| 107 | I | 85.9 | Confident | 88.1 | Confident | 10 Ų | 10 | 80.4 Ų | 80.4 | 5% | 0.051 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -60.6 | -25.6 | 179.1 | 58.2 | 169.2 | 0 | 0 | 0 | 113.4 | D79 L81 I84 L101 L109 K110 L113 | D79-I107 WeakPolarHBondContact O-CD1 3.26Å; L81-I107 HydrophobicContact CB-CD1 4.36Å; L81-I107 HydrophobicContact CB-CG2 4.01Å; L81-I107 HydrophobicContact CD1-CG2 3.99Å; L81-I107 HydrophobicContact CG-CG2 4.41Å; I84-I107 HydrophobicContact CD1-CD1 4.07Å; L101-I107 HydrophobicContact CD1-CG2 4.13Å; I107-L109 PolarHBondContact O-N 3.48Å; I107-K110 PolarHBondContact O-N 3.25Å; I107-L113 HydrophobicContact CB-CD1 4.25Å; I107-L113 HydrophobicContact CG2-CD1 4.18Å |
| 108 | F | 84.1 | Confident | 87.8 | Confident | 118 Ų | 118 | 75.3 Ų | 75.3 | 52% | 0.518 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -67 | -16.5 | 179.7 | -52.7 | -67.1 | 0 | 0 | 0 | 113.6 | V75 D79 C106 K110 | V75-F108 HydrophobicContact CG1-CD1 4.04Å; D79-F108 WeakPolarHBondContact O-CE1 3.49Å; D79-F108 WeakPolarHBondContact O-CZ 3.44Å; C106-F108 HydrophobicContact CB-CD2 4.37Å; C106-F108 PolarHBondContact O-N 3.49Å; C106-F108 VanDerWaalsContact O-N 3.14Å; F108-K110 PolarHBondContact O-N 2.88Å |
| 109 | L | 83.3 | Confident | 87.1 | Confident | 146 Ų | 146 | 75.7 Ų | 75.7 | 76% | 0.764 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -69.9 | -20.5 | 172.7 | -83.6 | 73.4 | 0 | 0 | 0 | 111.6 | C106 I107 | C106-L109 HydrophobicContact CB-CD1 3.73Å; C106-L109 PolarHBondContact O-N 3.28Å; C106-L109 VanDerWaalsContact O-N 3.14Å; I107-L109 PolarHBondContact O-N 3.48Å |
| 110 | K | 84.4 | Confident | 86.1 | Confident | 78 Ų | 78 | 80.2 Ų | 80.2 | 34% | 0.339 | 41% | 0.407 | S | S | . | . | trans | -103 | 137.6 | 178.6 | -67.5 | -168.3 | 173.4 | -179.1 | 0 | 111 | N99 L101 I107 F108 L113 | N99-K110 PolarHBondContact O-NZ 3.09Å; L101-K110 HydrophobicContact CD2-CD 3.96Å; I107-K110 PolarHBondContact O-N 3.25Å; F108-K110 PolarHBondContact O-N 2.88Å; K110-L113 HydrophobicContact CB-CD2 4.31Å; K110-L113 HydrophobicContact CD-CD2 4.13Å | ||
| 111 | K | 87.6 | Confident | 84.4 | Confident | 179 Ų | 179 | 77.7 Ų | 77.7 | 78% | 0.778 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -72.1 | -35 | 174.3 | -63.9 | -179.4 | -178.5 | 175.5 | 0 | 111.5 | R74 V75 | R74-K111 WeakPolarHBondContact CA-O 3.25Å; R74-K111 WeakPolarHBondContact CG-O 3.4Å; V75-K111 PolarHBondContact N-O 2.91Å |
| 112 | T | 92.8 | Very high | 82.7 | Confident | 54 Ų | 54 | 82.1 Ų | 82.1 | 33% | 0.331 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 151.1 | -178.6 | 61.1 | 0 | 0 | 0 | 0 | 111.6 | E72 H73 R74 | E72-T112 HydrophobicContact CG-CG2 4.11Å; E72-T112 WeakPolarHBondContact OE1-CB 3.42Å; E72-T112 VanDerWaalsContact OE1-CG2 3.27Å; E72-T112 WeakPolarHBondContact OE1-CG2 3.49Å; E72-T112 PolarHBondContact OE1-OG1 3.15Å; H73-T112 CarbonylContact O-C 3.47Å; H73-T112 WeakPolarHBondContact O-CA 3.49Å; R74-T112 HydrophobicContact CB-CG2 4.3Å; R74-T112 HydrophobicContact CG-CG2 4.38Å |
| 113 | L | 92.3 | Very high | 81.2 | Confident | 0 Ų | 0 | 80.4 Ų | 80.4 | 0% | 0 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 135.6 | 176.1 | -67 | 178.4 | 0 | 0 | 0 | 109.8 | E72 H73 V75 I84 I95 N99 L101 I107 K110 | E72-L113 WeakPolarHBondContact CA-O 3.47Å; H73-L113 PolarHBondContact N-O 2.86Å; H73-L113 PolarHBondContact O-N 3.29Å; V75-L113 HydrophobicContact CG2-CD1 3.86Å; V75-L113 HydrophobicContact CG2-CG 3.7Å; I84-L113 HydrophobicContact CD1-CD1 3.88Å; I95-L113 HydrophobicContact CG2-CD1 4.44Å; N99-L113 HydrophobicContact CB-CD2 4.2Å; N99-L113 WeakPolarHBondContact OD1-CA 3.35Å; L101-L113 HydrophobicContact CD1-CD2 3.93Å; I107-L113 HydrophobicContact CB-CD1 4.25Å; I107-L113 HydrophobicContact CG2-CD1 4.18Å; K110-L113 HydrophobicContact CB-CD2 4.31Å; K110-L113 HydrophobicContact CD-CD2 4.13Å |
| 114 | N | 93.4 | Very high | 79.7 | Confident | 60 Ų | 60 | 83 Ų | 83 | 32% | 0.321 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 117.7 | 173 | -172.3 | 0.7 | 0 | 0 | 0 | 110.4 | H70 N99 | H70-N114 VanDerWaalsContact CB-OD1 3.23Å; H70-N114 WeakPolarHBondContact CB-OD1 3.24Å; H70-N114 PolarHBondContact CD2-OD1 3.35Å; N99-N114 PolarHBondContact ND2-N 3.07Å; N99-N114 PolarHBondContact ND2-O 2.79Å; N99-N114 PolarHBondContact OD1-N 2.76Å |
| 115 | I | 93.8 | Very high | 78.3 | Confident | 0 Ų | 0 | 84.8 Ų | 84.8 | 0% | 0 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 116.7 | -173.1 | -56.7 | -179.7 | 0 | 0 | 0 | 109.3 | H70 V71 H73 I84 Y88 V90 I95 V117 | H70-I115 WeakPolarHBondContact CA-O 3.46Å; V71-I115 PolarHBondContact N-O 3.38Å; V71-I115 PolarHBondContact O-N 3.49Å; H73-I115 HydrophobicContact CB-CD1 3.46Å; H73-I115 VanDerWaalsContact CB-CD1 3.46Å; H73-I115 HydrophobicContact CB-CG1 4.24Å; I84-I115 HydrophobicContact CG2-CD1 3.36Å; I84-I115 HydrophobicContact CG2-CG1 4.39Å; Y88-I115 HydrophobicContact CD1-CD1 4.36Å; Y88-I115 HydrophobicContact CD1-CG2 4.41Å; Y88-I115 HydrophobicContact CD2-CD1 3.26Å; Y88-I115 HydrophobicContact CD2-CG2 4.33Å; Y88-I115 HydrophobicContact CE1-CD1 4.39Å; Y88-I115 HydrophobicContact CE2-CD1 3.31Å; Y88-I115 HydrophobicContact CG-CD1 3.84Å; Y88-I115 HydrophobicContact CG-CG2 3.92Å; V90-I115 HydrophobicContact CG1-CG2 4.2Å; V90-I115 HydrophobicContact CG2-CG2 3.78Å; I95-I115 HydrophobicContact CG1-CG2 4.38Å; I115-V117 HydrophobicContact CG2-CG2 4.04Å; I115-V117 PolarHBondContact O-N 3.03Å |
| 116 | P | 91.6 | Very high | 76.7 | Confident | 15 Ų | 15 | 86.2 Ų | 86.2 | 10% | 0.097 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 89.6 | 177.1 | 32.5 | -33.5 | 0 | 0 | 0 | 109.8 | R69 V90 Q94 A98 I118 | R69-P116 CarbonylContact O-C 3.4Å; V90-P116 WeakPolarHBondContact CG1-O 3.44Å; Q94-P116 HydrophobicContact CB-CG 4.09Å; A98-P116 HydrophobicContact CB-CG 4.07Å; P116-I118 PolarHBondContact O-N 2.9Å |
| 117 | V | 90.8 | Very high | 75.3 | Confident | 28 Ų | 28 | 86.7 Ų | 86.7 | 17% | 0.17 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 114 | 175.2 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | R69 V71 Y88 I115 S119 | R69-V117 PolarHBondContact N-O 3.25Å; R69-V117 WeakPolarHBondContact O-CA 3.5Å; R69-V117 PolarHBondContact O-N 2.94Å; V71-V117 HydrophobicContact CB-CG2 4.18Å; V71-V117 HydrophobicContact CG2-CB 4.34Å; V71-V117 HydrophobicContact CG2-CG2 3.68Å; Y88-V117 HydrophobicContact CD1-CG2 4Å; I115-V117 HydrophobicContact CG2-CG2 4.04Å; I115-V117 PolarHBondContact O-N 3.03Å; V117-S119 PolarHBondContact O-N 3.36Å |
| 118 | I | 84.8 | Confident | 73.8 | Confident | 74 Ų | 74 | 93.6 Ų | 93.6 | 38% | 0.379 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 102.6 | 175.4 | -55.8 | 176.7 | 0 | 0 | 0 | 106.5 | V66 P116 | V66-I118 HydrophobicContact CG1-CG2 3.21Å; P116-I118 PolarHBondContact O-N 2.9Å |
| 119 | S | 75.9 | Confident | 71.9 | Confident | 45 Ų | 45 | 93.7 Ų | 93.7 | 32% | 0.315 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 105.8 | 174.4 | -172.9 | 0 | 0 | 0 | 0 | 107.6 | I67 V117 K121 | I67-S119 PolarHBondContact N-O 3.49Å; I67-S119 PolarHBondContact O-N 3.03Å; V117-S119 PolarHBondContact O-N 3.36Å; S119-K121 PolarHBondContact O-N 3.21Å |
| 120 | E | 69.8 | Low | 70.3 | Confident | 111 Ų | 111 | 92.2 Ų | 92.2 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 122.5 | 160.6 | -49.5 | -166.3 | 161.7 | 0 | 0 | 105.7 | V66 P122 | V66-E120 HydrophobicContact CG2-CG 4.21Å; E120-P122 WeakPolarHBondContact O-CD 3.48Å |
| 121 | K | 55.9 | Low | 68.5 | Low | 131 Ų | 131 | 97 Ų | 97 | 57% | 0.57 | 53% | 0.528 | S | S | * | . | trans | -58.3 | 127.1 | 156.4 | -88.2 | 174.4 | 175.6 | 169.4 | 0 | 104.3 | G65 I67 S119 L123 | G65-K121 PolarHBondContact O-N 2.98Å; I67-K121 HydrophobicContact CD1-CD 3.99Å; I67-K121 HydrophobicContact CD1-CG 4.11Å; S119-K121 PolarHBondContact O-N 3.21Å; K121-L123 HydrophobicContact CB-CD2 4.22Å; K121-L123 PolarHBondContact O-N 2.82Å | ||
| 122 | P | 54.8 | Low | 66.6 | Low | 110 Ų | 110 | 95.3 Ų | 95.3 | 71% | 0.714 | 53% | 0.528 | S | S | * | . | trans | -64.7 | 92.4 | 172.2 | 27.1 | -31 | 0 | 0 | 0 | 105.6 | E120 L124 | E120-P122 WeakPolarHBondContact O-CD 3.48Å; P122-L124 PolarHBondContact O-N 3.44Å; P122-L124 VanDerWaalsContact O-N 3.15Å | ||
| 123 | L | 55.6 | Low | 64.2 | Low | 118 Ų | 118 | 97.3 Ų | 97.3 | 62% | 0.618 | 54% | 0.543 | S | S | * | . | trans | -63.7 | 117.2 | 159.4 | -57.6 | -158.9 | 0 | 0 | 0 | 102.4 | K121 F125 | K121-L123 HydrophobicContact CB-CD2 4.22Å; K121-L123 PolarHBondContact O-N 2.82Å; L123-F125 PolarHBondContact O-N 3.18Å | ||
| 124 | L | 50.8 | Low | 62.3 | Low | 171 Ų | 171 | 103.5 Ų | 103.5 | 90% | 0.895 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -68.1 | 50.7 | -177.8 | -63.1 | 174.2 | 0 | 0 | 0 | 110.9 | P122 | P122-L124 PolarHBondContact O-N 3.44Å; P122-L124 VanDerWaalsContact O-N 3.15Å |
| 125 | F | 52 | Low | 59.6 | Low | 189 Ų | 189 | 109.4 Ų | 109.4 | 83% | 0.829 | 61% | 0.61 | S | S | * | * | trans | -157.8 | 68.3 | 173.1 | -158.1 | -94.1 | 0 | 0 | 0 | 108.2 | L123 | L123-F125 PolarHBondContact O-N 3.18Š| ||
| 126 | N | 47.9 | Very low | 57.3 | Low | 103 Ų | 103 | 115.3 Ų | 115.3 | 55% | 0.551 | 64% | 0.641 | S | S | * | * | trans | -132 | 79.1 | 167.5 | -135.1 | 45 | 0 | 0 | 0 | 109 | L128 N129 | N126-L128 PolarHBondContact O-N 3.48Å; N126-N129 PolarHBondContact ND2-ND2 2.97Å | ||
| 127 | G | 53.3 | Low | 54.8 | Low | 80 Ų | 80 | 122.7 Ų | 122.7 | 83% | 0.825 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 34.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 128 | L | 54.3 | Low | 52.7 | Low | 155 Ų | 155 | 127.6 Ų | 127.6 | 81% | 0.812 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.2 | 12.1 | -177 | -77.5 | -179.4 | 0 | 0 | 0 | 115.5 | N126 | N126-L128 PolarHBondContact O-N 3.48Š|
| 129 | N | 45.2 | Very low | 50.5 | Low | 121 Ų | 121 | 130.7 Ų | 130.7 | 65% | 0.647 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -126.5 | 47.8 | 174.5 | -75.9 | -6.1 | 0 | 0 | 0 | 112.7 | N126 | N126-N129 PolarHBondContact ND2-ND2 2.97Š|
| 130 | S | 49.1 | Very low | 48.4 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | trans | -146.9 | 68.9 | 173.8 | -162.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 131 | I | 46.6 | Very low | 47.2 | Very low | 177 Ų | 177 | 133.8 Ų | 133.8 | 91% | 0.908 | 75% | 0.752 | S | S | * | * | trans | -156.9 | 71.1 | 155 | 29.8 | 165 | 0 | 0 | 0 | 108 | ||||
| 132 | D | 48.3 | Very low | 46.1 | Very low | 145 Ų | 145 | 132.9 Ų | 132.9 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -148.5 | 123.7 | 135.3 | -167.9 | 72.6 | 0 | 0 | 0 | 108.6 | ||
| 133 | S | 42.2 | Very low | 44.8 | Very low | 95 Ų | 95 | 136.2 Ų | 136.2 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | trans | 69.8 | 124 | 163.8 | -63.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 134 | P | 52.7 | Low | 43.7 | Very low | 131 Ų | 131 | 136.5 Ų | 136.5 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | -145.9 | 125.9 | 71.3 | 35.3 | -16.3 | 0 | 0 | 0 | 114.7 | |||||
| 135 | E | 36.7 | Very low | 42.7 | Very low | 184 Ų | 184 | 136.2 Ų | 136.2 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -134.2 | 121.9 | 141.3 | 61.3 | -167.8 | 150.3 | 0 | 0 | 110.6 | ||||
| 136 | N | 45.1 | Very low | 42.1 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 66% | 0.663 | 77% | 0.771 | S | S | * | * | trans | -98.4 | 95.3 | 179.9 | 170.9 | 62.5 | 0 | 0 | 0 | 106 | ||||
| 137 | E | 39.2 | Very low | 41.4 | Very low | 170 Ų | 170 | 140 Ų | 140 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | -106.5 | 91.5 | 165.7 | -75.8 | -65.8 | 130.9 | 0 | 0 | 108.6 | ||||
| 138 | I | 45.7 | Very low | 40.4 | Very low | 131 Ų | 131 | 144.8 Ų | 144.8 | 67% | 0.672 | 79% | 0.789 | S | S | * | * | trans | -69 | 115.2 | 155.9 | -68.4 | 160.2 | 0 | 0 | 0 | 106.5 | ||||
| 139 | V | 38.5 | Very low | 39.9 | Very low | 138 Ų | 138 | 141.7 Ų | 141.7 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | trans | 171.2 | 122.5 | 146.1 | 167.5 | 0 | 0 | 0 | 0 | 102.7 | ||||
| 140 | G | 33.9 | Very low | 39.2 | Very low | 64 Ų | 64 | 142.6 Ų | 142.6 | 66% | 0.66 | 79% | 0.788 | S | S | * | * | cis | 150.5 | 130.6 | 46.5 | 0 | 0 | 0 | 0 | 0 | 105.2 | S142 | G140-S142 PolarHBondContact O-N 2.91Š| ||
| 141 | N | 42.5 | Very low | 38.4 | Very low | 157 Ų | 157 | 143 Ų | 143 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | trans | -44.2 | 120.8 | 167 | 175 | 83.3 | 0 | 0 | 0 | 111.6 | ||||
| 142 | S | 34.5 | Very low | 37.8 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | -154.8 | 103.2 | 153.5 | -80 | 0 | 0 | 0 | 0 | 111 | G140 | G140-S142 PolarHBondContact O-N 2.91Š| ||
| 143 | F | 27.1 | Very low | 37.1 | Very low | 180 Ų | 180 | 135.9 Ų | 135.9 | 79% | 0.789 | 78% | 0.78 | S | S | * | * | trans | -52.5 | 125.5 | 159.3 | -156.5 | -103.4 | 0 | 0 | 0 | 109 | Q145 | F143-Q145 PolarHBondContact O-N 3.47Š| ||
| 144 | S | 32.5 | Very low | 36.9 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | -67.4 | 113 | 172.9 | -58.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 145 | Q | 29.4 | Very low | 36 | Very low | 165 Ų | 165 | 140.8 Ų | 140.8 | 77% | 0.771 | 79% | 0.785 | S | S | * | * | trans | -134.6 | 111.9 | 160.7 | -166.2 | 168.7 | -5.9 | 0 | 0 | 109.7 | F143 | F143-Q145 PolarHBondContact O-N 3.47Š| ||
| 146 | E | 40 | Very low | 36.3 | Very low | 177 Ų | 177 | 139.9 Ų | 139.9 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | -16.3 | 127 | 153.2 | -30.6 | -161.7 | 156.5 | 0 | 0 | 115.1 | ||||
| 147 | E | 33.5 | Very low | 36.5 | Very low | 194 Ų | 194 | 139 Ų | 139 | 91% | 0.907 | 79% | 0.787 | S | S | * | * | 174.9 | 136.7 | 119.2 | -91.1 | -167.1 | 145.7 | 0 | 0 | 111.4 | |||||
| 148 | E | 30.8 | Very low | 37 | Very low | 181 Ų | 181 | 136.4 Ų | 136.4 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | -74.2 | -166.5 | 169.1 | -88 | -141 | 133 | 0 | 0 | 112 | ||||
| 149 | P | 45.5 | Very low | 36.7 | Very low | 90 Ų | 90 | 136.5 Ų | 136.5 | 58% | 0.584 | 79% | 0.794 | S | S | * | * | -134 | 154.6 | -68.6 | 39.3 | -23.2 | 0 | 0 | 0 | 111.6 | |||||
| 150 | V | 28.8 | Very low | 36.5 | Very low | 141 Ų | 141 | 135 Ų | 135 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | trans | -164.1 | 125.4 | 156.9 | -106.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 151 | V | 32.8 | Very low | 37.2 | Very low | 124 Ų | 124 | 137 Ų | 137 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | 82.5 | 101 | 133.7 | -176.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 152 | A | 33.6 | Very low | 36.8 | Very low | 102 Ų | 102 | 138.9 Ų | 138.9 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | 56 | 129 | 124.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 153 | G | 33.5 | Very low | 37.2 | Very low | 69 Ų | 69 | 142.4 Ų | 142.4 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | 137.6 | 99.9 | 137.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 154 | E | 38.6 | Very low | 38 | Very low | 184 Ų | 184 | 139 Ų | 139 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | 92.4 | 114.5 | 143.1 | -50.5 | -150.8 | 126.5 | 0 | 0 | 120.9 | ||||
| 155 | D | 34 | Very low | 38.3 | Very low | 145 Ų | 145 | 140.3 Ų | 140.3 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | trans | 46 | 107.5 | 141.2 | -84.1 | -53.9 | 0 | 0 | 0 | 121 | ||||
| 156 | L | 42.5 | Very low | 39 | Very low | 165 Ų | 165 | 137.6 Ų | 137.6 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | -177.9 | 143.7 | 112.8 | -89.5 | 165.2 | 0 | 0 | 0 | 110.2 | |||||
| 157 | P | 50.7 | Low | 38.9 | Very low | 106 Ų | 106 | 137 Ų | 137 | 69% | 0.688 | 79% | 0.786 | S | S | * | * | trans | -77.6 | 157.5 | -170 | 30.9 | -35.1 | 0 | 0 | 0 | 114.2 | ||||
| 158 | P | 47.9 | Very low | 39.4 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | trans | -79.8 | 137.5 | -179 | 32.4 | -33.2 | 0 | 0 | 0 | 111.6 | S160 | P158-S160 PolarHBondContact O-N 2.91Š| ||
| 159 | P | 40.3 | Very low | 39.9 | Very low | 134 Ų | 134 | 130.4 Ų | 130.4 | 87% | 0.87 | 77% | 0.773 | S | S | * | * | trans | -88.6 | 98.1 | 158.5 | 32.4 | -27.4 | 0 | 0 | 0 | 109.3 | ||||
| 160 | S | 34 | Very low | 39.7 | Very low | 105 Ų | 105 | 132.5 Ų | 132.5 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -98.3 | 162.3 | 151 | -64 | 0 | 0 | 0 | 0 | 108 | P158 | P158-S160 PolarHBondContact O-N 2.91Š| ||
| 161 | P | 48.6 | Very low | 40.7 | Very low | 108 Ų | 108 | 130.2 Ų | 130.2 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | cis | -125.7 | 129.7 | -42 | 31.3 | -15.2 | 0 | 0 | 0 | 109.5 | E163 | P161-E163 PolarHBondContact O-N 3.31Š| ||
| 162 | Q | 33.8 | Very low | 41.8 | Very low | 195 Ų | 195 | 133.1 Ų | 133.1 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | trans | -92.6 | 92.7 | 166.5 | -71.1 | -167.6 | -47 | 0 | 0 | 108.9 | S164 | Q162-S164 PolarHBondContact O-N 3.42Š| ||
| 163 | E | 42.7 | Very low | 42.9 | Very low | 187 Ų | 187 | 135.8 Ų | 135.8 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | -55.5 | 117.1 | 156 | -72.1 | -178.2 | 117.8 | 0 | 0 | 108 | P161 | P161-E163 PolarHBondContact O-N 3.31Š| ||
| 164 | S | 44.3 | Very low | 44.3 | Very low | 109 Ų | 109 | 137.7 Ų | 137.7 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | trans | -133.2 | 84.9 | 162.9 | -61.4 | 0 | 0 | 0 | 0 | 106.4 | Q162 | Q162-S164 PolarHBondContact O-N 3.42Š| ||
| 165 | D | 38.7 | Very low | 46.5 | Very low | 150 Ų | 150 | 132 Ų | 132 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | trans | 2.7 | 111.1 | 146.9 | -153.6 | 21.8 | 0 | 0 | 0 | 115.7 | ||||
| 166 | V | 43.4 | Very low | 48.9 | Very low | 108 Ų | 108 | 128.6 Ų | 128.6 | 66% | 0.655 | 73% | 0.734 | S | S | * | * | trans | 36 | 119.6 | 138.8 | -170 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 167 | Q | 38.9 | Very low | 50.9 | Low | 164 Ų | 164 | 130.4 Ų | 130.4 | 77% | 0.766 | 73% | 0.729 | S | S | * | * | 178.5 | 114.5 | 117.3 | -89 | -87 | -31.4 | 0 | 0 | 108.9 | V169 | Q167-V169 PolarHBondContact O-N 3.4Š| |||
| 168 | P | 43.5 | Very low | 52.8 | Low | 96 Ų | 96 | 129 Ų | 129 | 62% | 0.623 | 72% | 0.715 | S | S | * | * | trans | -69.4 | 115.1 | 168.6 | 28 | -29.6 | 0 | 0 | 0 | 108.5 | Q170 | P168-Q170 VanDerWaalsContact C-N 3.26Å; P168-Q170 PolarHBondContact O-N 2.75Å | ||
| 169 | V | 42.5 | Very low | 54.7 | Low | 141 Ų | 141 | 129.6 Ų | 129.6 | 86% | 0.855 | 71% | 0.707 | S | S | * | * | trans | -67.3 | 90.9 | 170.3 | 179.2 | 0 | 0 | 0 | 0 | 107.3 | Q167 | Q167-V169 PolarHBondContact O-N 3.4Š| ||
| 170 | Q | 40 | Very low | 57.3 | Low | 135 Ų | 135 | 127.9 Ų | 127.9 | 63% | 0.631 | 69% | 0.69 | S | S | * | * | trans | -61.7 | 126.6 | 164.9 | -65.8 | -76.6 | -12.8 | 0 | 0 | 106.6 | P168 E172 | P168-Q170 VanDerWaalsContact C-N 3.26Å; P168-Q170 PolarHBondContact O-N 2.75Å; Q170-E172 PolarHBondContact O-N 2.91Å | ||
| 171 | P | 50.1 | Low | 60.1 | Low | 93 Ų | 93 | 129.1 Ų | 129.1 | 60% | 0.604 | 68% | 0.684 | S | S | * | * | trans | -58.1 | 125.9 | 161.2 | 26.4 | -29 | 0 | 0 | 0 | 105.7 | E173 | P171-E173 PolarHBondContact O-N 3.35Š| ||
| 172 | E | 55.7 | Low | 62.3 | Low | 184 Ų | 184 | 132.6 Ų | 132.6 | 86% | 0.86 | 68% | 0.683 | S | S | * | * | trans | -64.6 | 74 | 179.5 | -149.4 | 91.8 | -176.6 | 0 | 0 | 109 | Q170 V174 | Q170-E172 PolarHBondContact O-N 2.91Å; E172-V174 PolarHBondContact O-N 2.93Å | ||
| 173 | E | 56.4 | Low | 65.3 | Low | 158 Ų | 158 | 126.8 Ų | 126.8 | 74% | 0.738 | 66% | 0.658 | S | S | * | * | trans | -53.9 | 117.9 | 160.4 | -68 | 179.3 | 175 | 0 | 0 | 105.2 | P171 S175 | P171-E173 PolarHBondContact O-N 3.35Å; E173-S175 WeakPolarHBondContact O-CA 3.45Å; E173-S175 PolarHBondContact O-N 2.8Å | ||
| 174 | V | 64.1 | Low | 67.8 | Low | 109 Ų | 109 | 122 Ų | 122 | 66% | 0.661 | 64% | 0.639 | S | S | * | * | trans | -37.6 | 108.6 | -178.7 | -157.2 | 0 | 0 | 0 | 0 | 109 | E172 A176 D178 | E172-V174 PolarHBondContact O-N 2.93Å; V174-A176 PolarHBondContact O-N 3.16Å; V174-D178 HydrophobicContact CG1-CB 3.97Å; V174-D178 VanDerWaalsContact CG1-OD2 3.26Å; V174-D178 WeakPolarHBondContact CG1-OD2 3.39Å | ||
| 175 | S | 83.6 | Confident | 70.3 | Confident | 65 Ų | 65 | 121.4 Ų | 121.4 | 46% | 0.455 | 63% | 0.626 | S | S | . | * | trans | -42.6 | 135 | -165.3 | -178 | 0 | 0 | 0 | 0 | 110.7 | E173 R177 D178 | E173-S175 WeakPolarHBondContact O-CA 3.45Å; E173-S175 PolarHBondContact O-N 2.8Å; S175-R177 CarbonylContact O-C 3.55Å; S175-R177 PolarHBondContact O-N 3.22Å; S175-D178 WeakPolarHBondContact O-CB 3.47Å; S175-D178 PolarHBondContact O-N 2.71Å | ||
| 176 | A | 84.4 | Confident | 73 | Confident | 73 Ų | 73 | 120.5 Ų | 120.5 | 60% | 0.603 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -46.8 | -27.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V174 L180 | V174-A176 PolarHBondContact O-N 3.16Å; A176-L180 WeakPolarHBondContact O-CB 3.26Å; A176-L180 VanDerWaalsContact O-CG 3.25Å; A176-L180 WeakPolarHBondContact O-CG 3.35Å; A176-L180 PolarHBondContact O-N 3.3Å; A176-L180 VanDerWaalsContact O-N 3.09Å |
| 177 | R | 86.4 | Confident | 75.5 | Confident | 203 Ų | 203 | 120.3 Ų | 120.3 | 77% | 0.766 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -58 | -46.3 | 171.6 | -63.3 | -178.1 | 175.3 | 179.9 | -0.2 | 113.7 | S175 Q181 | S175-R177 CarbonylContact O-C 3.55Å; S175-R177 PolarHBondContact O-N 3.22Å; R177-Q181 VanDerWaalsContact O-CB 3.24Å; R177-Q181 WeakPolarHBondContact O-CB 3.47Å; R177-Q181 PolarHBondContact O-N 3.01Å |
| 178 | D | 88.8 | Confident | 78.3 | Confident | 76 Ų | 76 | 119.5 Ų | 119.5 | 41% | 0.406 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.1 | -42.3 | -179.4 | -173.8 | 63.3 | 0 | 0 | 0 | 111.6 | V174 S175 L180 Q181 R182 | V174-D178 HydrophobicContact CG1-CB 3.97Å; V174-D178 VanDerWaalsContact CG1-OD2 3.26Å; V174-D178 WeakPolarHBondContact CG1-OD2 3.39Å; S175-D178 WeakPolarHBondContact O-CB 3.47Å; S175-D178 PolarHBondContact O-N 2.71Å; D178-L180 PolarHBondContact O-N 3.5Å; D178-Q181 PolarHBondContact O-N 3.12Å; D178-R182 WeakPolarHBondContact O-CB 3.42Å; D178-R182 PolarHBondContact O-N 3.4Å |
| 179 | F | 88.8 | Confident | 80.8 | Confident | 128 Ų | 128 | 119.7 Ų | 119.7 | 56% | 0.561 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -59.4 | -48.3 | 175 | 176.6 | -101 | 0 | 0 | 0 | 112 | Q181 R182 L183 | F179-Q181 VanDerWaalsContact C-N 3.35Å; F179-Q181 PolarHBondContact O-N 3.02Å; F179-R182 PolarHBondContact O-N 3.5Å; F179-L183 HydrophobicContact CD1-CD1 4.07Å; F179-L183 HydrophobicContact CE1-CD1 3.38Å; F179-L183 HydrophobicContact CE1-CG 4.13Å; F179-L183 HydrophobicContact CE2-CD1 4.5Å; F179-L183 HydrophobicContact CZ-CD1 3.64Å; F179-L183 HydrophobicContact CZ-CD2 4.43Å; F179-L183 HydrophobicContact CZ-CG 4.1Å; F179-L183 PolarHBondContact O-N 3.46Å |
| 180 | L | 93.8 | Very high | 83.3 | Confident | 98 Ų | 98 | 116.9 Ų | 116.9 | 51% | 0.513 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.4 | -41.7 | 177.1 | -69.4 | 173.5 | 0 | 0 | 0 | 111.6 | A176 D178 R182 L183 D184 | A176-L180 WeakPolarHBondContact O-CB 3.26Å; A176-L180 VanDerWaalsContact O-CG 3.25Å; A176-L180 WeakPolarHBondContact O-CG 3.35Å; A176-L180 PolarHBondContact O-N 3.3Å; A176-L180 VanDerWaalsContact O-N 3.09Å; D178-L180 PolarHBondContact O-N 3.5Å; L180-R182 VanDerWaalsContact C-N 3.28Å; L180-R182 PolarHBondContact O-N 2.86Å; L180-L183 PolarHBondContact O-N 3.26Å; L180-D184 WeakPolarHBondContact O-CB 3.46Å; L180-D184 PolarHBondContact O-N 2.86Å |
| 181 | Q | 93.4 | Very high | 85.9 | Confident | 132 Ų | 132 | 114.6 Ų | 114.6 | 62% | 0.617 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.3 | -37.8 | 176.6 | -176 | 174.3 | -15.3 | 0 | 0 | 111.9 | R177 D178 F179 L185 | R177-Q181 VanDerWaalsContact O-CB 3.24Å; R177-Q181 WeakPolarHBondContact O-CB 3.47Å; R177-Q181 PolarHBondContact O-N 3.01Å; D178-Q181 PolarHBondContact O-N 3.12Å; F179-Q181 VanDerWaalsContact C-N 3.35Å; F179-Q181 PolarHBondContact O-N 3.02Å; Q181-L185 WeakPolarHBondContact O-CB 3.44Å; Q181-L185 PolarHBondContact O-N 2.94Å |
| 182 | R | 95.1 | Very high | 87.9 | Confident | 181 Ų | 181 | 116.6 Ų | 116.6 | 68% | 0.683 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68 | -42.6 | 176.4 | -164.2 | 175.9 | -142.1 | 170 | 7.1 | 112.2 | D178 F179 L180 L185 Q186 | D178-R182 WeakPolarHBondContact O-CB 3.42Å; D178-R182 PolarHBondContact O-N 3.4Å; F179-R182 PolarHBondContact O-N 3.5Å; L180-R182 VanDerWaalsContact C-N 3.28Å; L180-R182 PolarHBondContact O-N 2.86Å; R182-L185 PolarHBondContact O-N 3.28Å; R182-Q186 PolarHBondContact O-N 3.42Å |
| 183 | L | 96.8 | Very high | 89.6 | Confident | 72 Ų | 72 | 110.4 Ų | 110.4 | 38% | 0.377 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.5 | -46.6 | 174.4 | -73.4 | -177.6 | 0 | 0 | 0 | 111.4 | F179 L180 L185 Q186 I187 | F179-L183 HydrophobicContact CD1-CD1 4.07Å; F179-L183 HydrophobicContact CE1-CD1 3.38Å; F179-L183 HydrophobicContact CE1-CG 4.13Å; F179-L183 HydrophobicContact CE2-CD1 4.5Å; F179-L183 HydrophobicContact CZ-CD1 3.64Å; F179-L183 HydrophobicContact CZ-CD2 4.43Å; F179-L183 HydrophobicContact CZ-CG 4.1Å; F179-L183 PolarHBondContact O-N 3.46Å; L180-L183 PolarHBondContact O-N 3.26Å; L183-L185 VanDerWaalsContact C-N 3.29Å; L183-L185 PolarHBondContact O-N 2.95Å; L183-Q186 PolarHBondContact O-N 2.91Å; L183-Q186 VanDerWaalsContact O-N 3.15Å; L183-I187 WeakPolarHBondContact O-CG1 3.32Å; L183-I187 PolarHBondContact O-N 3Å |
| 184 | D | 96.3 | Very high | 91.2 | Very high | 88 Ų | 88 | 105.7 Ų | 105.7 | 47% | 0.471 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.1 | -40.2 | 178.5 | -77.2 | -12.3 | 0 | 0 | 0 | 111.8 | L180 I187 K188 | L180-D184 WeakPolarHBondContact O-CB 3.46Å; L180-D184 PolarHBondContact O-N 2.86Å; D184-I187 PolarHBondContact O-N 3.01Å; D184-K188 WeakPolarHBondContact O-CB 3.38Å; D184-K188 VanDerWaalsContact O-CG 3.26Å; D184-K188 WeakPolarHBondContact O-CG 3.47Å; D184-K188 PolarHBondContact O-N 3.12Å |
| 185 | L | 96.6 | Very high | 92.5 | Very high | 96 Ų | 96 | 107.4 Ų | 107.4 | 50% | 0.503 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.9 | -46.8 | 175.8 | -162.1 | 172.7 | 0 | 0 | 0 | 110.6 | Q181 R182 L183 I187 K188 L189 | Q181-L185 WeakPolarHBondContact O-CB 3.44Å; Q181-L185 PolarHBondContact O-N 2.94Å; R182-L185 PolarHBondContact O-N 3.28Å; L183-L185 VanDerWaalsContact C-N 3.29Å; L183-L185 PolarHBondContact O-N 2.95Å; L185-I187 PolarHBondContact O-N 3.26Å; L185-K188 WeakPolarHBondContact O-CB 3.35Å; L185-K188 PolarHBondContact O-N 3.32Å; L185-L189 HydrophobicContact CD2-CD1 3.38Å; L185-L189 HydrophobicContact CD2-CG 3.77Å; L185-L189 WeakPolarHBondContact O-CG 3.42Å; L185-L189 PolarHBondContact O-N 3.31Å |
| 186 | Q | 94.9 | Very high | 92.7 | Very high | 131 Ų | 131 | 111.1 Ų | 111.1 | 61% | 0.612 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.4 | -39.6 | -179.5 | -169.5 | 161.6 | -8.9 | 0 | 0 | 112.4 | R182 L183 L189 S190 | R182-Q186 PolarHBondContact O-N 3.42Å; L183-Q186 PolarHBondContact O-N 2.91Å; L183-Q186 VanDerWaalsContact O-N 3.15Å; Q186-L189 PolarHBondContact O-N 3.31Å; Q186-S190 WeakPolarHBondContact O-CB 3.49Å; Q186-S190 PolarHBondContact O-N 3.34Å |
| 187 | I | 95.8 | Very high | 92.6 | Very high | 104 Ų | 104 | 113.1 Ų | 113.1 | 53% | 0.533 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.8 | -43.7 | 174.1 | -67.1 | 165.7 | 0 | 0 | 0 | 110.7 | L183 D184 L185 S190 T191 | L183-I187 WeakPolarHBondContact O-CG1 3.32Å; L183-I187 PolarHBondContact O-N 3Å; D184-I187 PolarHBondContact O-N 3.01Å; L185-I187 PolarHBondContact O-N 3.26Å; I187-S190 PolarHBondContact O-N 2.89Å; I187-T191 WeakPolarHBondContact O-CB 3.48Å; I187-T191 PolarHBondContact O-N 3.01Å; I187-T191 PolarHBondContact O-OG1 2.93Å |
| 188 | K | 97.3 | Very high | 92.4 | Very high | 147 Ų | 147 | 111 Ų | 111 | 64% | 0.639 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -59.7 | -47.8 | 177.3 | -77.4 | 170.9 | -176.9 | 172.2 | 0 | 112 | D184 L185 T191 Q192 | D184-K188 WeakPolarHBondContact O-CB 3.38Å; D184-K188 VanDerWaalsContact O-CG 3.26Å; D184-K188 WeakPolarHBondContact O-CG 3.47Å; D184-K188 PolarHBondContact O-N 3.12Å; L185-K188 WeakPolarHBondContact O-CB 3.35Å; L185-K188 PolarHBondContact O-N 3.32Å; K188-T191 PolarHBondContact O-N 2.84Å; K188-Q192 WeakPolarHBondContact O-CB 3.37Å; K188-Q192 PolarHBondContact O-N 3.25Å |
| 189 | L | 95.5 | Very high | 91.8 | Very high | 100 Ų | 100 | 112.8 Ų | 112.8 | 52% | 0.524 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.3 | -45.3 | 178.4 | -69.8 | 176.8 | 0 | 0 | 0 | 111.8 | L185 Q186 T191 Q192 A193 | L185-L189 HydrophobicContact CD2-CD1 3.38Å; L185-L189 HydrophobicContact CD2-CG 3.77Å; L185-L189 WeakPolarHBondContact O-CG 3.42Å; L185-L189 PolarHBondContact O-N 3.31Å; Q186-L189 PolarHBondContact O-N 3.31Å; L189-T191 VanDerWaalsContact C-N 3.31Å; L189-T191 PolarHBondContact O-N 3.3Å; L189-Q192 PolarHBondContact O-N 2.99Å; L189-A193 WeakPolarHBondContact O-CB 3.24Å; L189-A193 PolarHBondContact O-N 3.16Å |
| 190 | S | 95.4 | Very high | 91.1 | Very high | 81 Ų | 81 | 112.1 Ų | 112.1 | 57% | 0.566 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61 | -41.6 | 177.1 | -173.4 | 0 | 0 | 0 | 0 | 111.8 | Q186 I187 A193 A194 | Q186-S190 WeakPolarHBondContact O-CB 3.49Å; Q186-S190 PolarHBondContact O-N 3.34Å; I187-S190 PolarHBondContact O-N 2.89Å; S190-A193 PolarHBondContact O-N 3.46Å; S190-A194 WeakPolarHBondContact O-CB 3.24Å; S190-A194 PolarHBondContact O-N 2.94Å |
| 191 | T | 94.6 | Very high | 89.7 | Confident | 88 Ų | 88 | 111.4 Ų | 111.4 | 54% | 0.54 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.1 | -42.9 | 179.3 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | I187 K188 L189 A194 K195 | I187-T191 WeakPolarHBondContact O-CB 3.48Å; I187-T191 PolarHBondContact O-N 3.01Å; I187-T191 PolarHBondContact O-OG1 2.93Å; K188-T191 PolarHBondContact O-N 2.84Å; L189-T191 VanDerWaalsContact C-N 3.31Å; L189-T191 PolarHBondContact O-N 3.3Å; T191-A194 PolarHBondContact O-N 2.85Å; T191-K195 WeakPolarHBondContact O-CB 3.31Å; T191-K195 PolarHBondContact O-N 3.46Å |
| 192 | Q | 93.1 | Very high | 88.2 | Confident | 134 Ų | 134 | 114.7 Ų | 114.7 | 63% | 0.626 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.9 | -43.1 | 176.6 | -174.6 | -178.9 | 18.3 | 0 | 0 | 111.6 | K188 L189 A194 K195 K196 | K188-Q192 WeakPolarHBondContact O-CB 3.37Å; K188-Q192 PolarHBondContact O-N 3.25Å; L189-Q192 PolarHBondContact O-N 2.99Å; Q192-A194 PolarHBondContact O-N 2.92Å; Q192-K195 PolarHBondContact O-N 3.38Å; Q192-K196 WeakPolarHBondContact O-CB 3.26Å; Q192-K196 PolarHBondContact O-N 3.11Å |
| 193 | A | 90.8 | Very high | 86.4 | Confident | 54 Ų | 54 | 111.6 Ų | 111.6 | 45% | 0.446 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.5 | -45.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L189 S190 K195 K196 L197 | L189-A193 WeakPolarHBondContact O-CB 3.24Å; L189-A193 PolarHBondContact O-N 3.16Å; S190-A193 PolarHBondContact O-N 3.46Å; A193-K195 VanDerWaalsContact C-N 3.35Å; A193-K195 PolarHBondContact O-N 2.82Å; A193-K196 PolarHBondContact O-N 3.36Å; A193-L197 WeakPolarHBondContact O-CG 3.29Å; A193-L197 PolarHBondContact O-N 3.25Å |
| 194 | A | 89.6 | Confident | 84.4 | Confident | 59 Ų | 59 | 116.1 Ų | 116.1 | 49% | 0.488 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.3 | -40.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S190 T191 Q192 K198 | S190-A194 WeakPolarHBondContact O-CB 3.24Å; S190-A194 PolarHBondContact O-N 2.94Å; T191-A194 PolarHBondContact O-N 2.85Å; Q192-A194 PolarHBondContact O-N 2.92Å; A194-K198 PolarHBondContact O-N 3.1Å; A194-K198 VanDerWaalsContact O-N 3.12Å |
| 195 | K | 90.7 | Very high | 82.5 | Confident | 146 Ų | 146 | 119.8 Ų | 119.8 | 64% | 0.635 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.1 | -44.3 | 175.7 | -174.9 | -178.7 | 174.2 | -173.5 | 0 | 111.6 | T191 Q192 A193 L197 K198 E199 | T191-K195 WeakPolarHBondContact O-CB 3.31Å; T191-K195 PolarHBondContact O-N 3.46Å; Q192-K195 PolarHBondContact O-N 3.38Å; A193-K195 VanDerWaalsContact C-N 3.35Å; A193-K195 PolarHBondContact O-N 2.82Å; K195-L197 PolarHBondContact O-N 2.9Å; K195-K198 PolarHBondContact O-N 3.44Å; K195-K198 VanDerWaalsContact O-N 3.16Å; K195-E199 PolarHBondContact O-N 3.11Å |
| 196 | K | 88.9 | Confident | 80.3 | Confident | 143 Ų | 143 | 118.2 Ų | 118.2 | 62% | 0.622 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.2 | -44.8 | 179.1 | -171.8 | -176.4 | 175.8 | -171.5 | 0 | 111.5 | Q192 A193 K198 E199 E200 | Q192-K196 WeakPolarHBondContact O-CB 3.26Å; Q192-K196 PolarHBondContact O-N 3.11Å; A193-K196 PolarHBondContact O-N 3.36Å; K196-K198 VanDerWaalsContact C-N 3.27Å; K196-K198 PolarHBondContact O-N 3.4Å; K196-E199 PolarHBondContact O-N 3.39Å; K196-E200 WeakPolarHBondContact O-CB 3.45Å; K196-E200 PolarHBondContact O-N 3.48Å |
| 197 | L | 82.3 | Confident | 78.3 | Confident | 115 Ų | 115 | 117.5 Ų | 117.5 | 60% | 0.602 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61.5 | -36.5 | 175.3 | -72.8 | 172.6 | 0 | 0 | 0 | 112.4 | A193 K195 S201 | A193-L197 WeakPolarHBondContact O-CG 3.29Å; A193-L197 PolarHBondContact O-N 3.25Å; K195-L197 PolarHBondContact O-N 2.9Å; L197-S201 WeakPolarHBondContact O-CB 3.09Å; L197-S201 PolarHBondContact O-N 2.77Å; L197-S201 PolarHBondContact O-OG 2.91Å |
| 198 | K | 81.4 | Confident | 76.3 | Confident | 159 Ų | 159 | 121.6 Ų | 121.6 | 69% | 0.691 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70 | -34.7 | 177.4 | -174.4 | 162.5 | -177.8 | 169.2 | 0 | 112.9 | A194 K195 K196 S201 R202 | A194-K198 PolarHBondContact O-N 3.1Å; A194-K198 VanDerWaalsContact O-N 3.12Å; K195-K198 PolarHBondContact O-N 3.44Å; K195-K198 VanDerWaalsContact O-N 3.16Å; K196-K198 VanDerWaalsContact C-N 3.27Å; K196-K198 PolarHBondContact O-N 3.4Å; K198-S201 WeakPolarHBondContact CA-OG 3.25Å; K198-S201 PolarHBondContact O-OG 3.49Å; K198-R202 PolarHBondContact O-N 3.3Å |
| 199 | E | 77.3 | Confident | 74.1 | Confident | 113 Ų | 113 | 118.8 Ų | 118.8 | 53% | 0.528 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -71.6 | -45.4 | 175.2 | -166.7 | 165.5 | -172 | 0 | 0 | 110.9 | K195 K196 S201 R202 D203 | K195-E199 PolarHBondContact O-N 3.11Å; K196-E199 PolarHBondContact O-N 3.39Å; E199-S201 VanDerWaalsContact C-N 3.33Å; E199-S201 PolarHBondContact O-N 3.44Å; E199-R202 WeakPolarHBondContact O-CA 3.37Å; E199-R202 WeakPolarHBondContact O-CB 3.37Å; E199-R202 PolarHBondContact O-N 3.39Å; E199-D203 PolarHBondContact O-N 3.09Å; E199-D203 VanDerWaalsContact O-N 3.11Å |
| 200 | E | 73 | Confident | 72 | Confident | 114 Ų | 114 | 120.1 Ų | 120.1 | 53% | 0.533 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -59.3 | -40 | 175.1 | -174.1 | 163.1 | -137.6 | 0 | 0 | 112.4 | K196 R202 D203 | K196-E200 WeakPolarHBondContact O-CB 3.45Å; K196-E200 PolarHBondContact O-N 3.48Å; E200-R202 PolarHBondContact O-N 3.46Å; E200-D203 PolarHBondContact O-N 3.32Å |
| 201 | S | 64.8 | Low | 69.9 | Low | 83 Ų | 83 | 120.6 Ų | 120.6 | 58% | 0.58 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.1 | -18.2 | 173.8 | 66.1 | 0 | 0 | 0 | 0 | 114.5 | L197 K198 E199 | L197-S201 WeakPolarHBondContact O-CB 3.09Å; L197-S201 PolarHBondContact O-N 2.77Å; L197-S201 PolarHBondContact O-OG 2.91Å; K198-S201 WeakPolarHBondContact CA-OG 3.25Å; K198-S201 PolarHBondContact O-OG 3.49Å; E199-S201 VanDerWaalsContact C-N 3.33Å; E199-S201 PolarHBondContact O-N 3.44Å |
| 202 | R | 61.4 | Low | 68 | Low | 200 Ų | 200 | 123.5 Ų | 123.5 | 76% | 0.755 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -93.5 | -25.5 | -177.6 | -154.3 | 177.1 | -174.2 | -172 | -1 | 112.1 | K198 E199 E200 | K198-R202 PolarHBondContact O-N 3.3Å; E199-R202 WeakPolarHBondContact O-CA 3.37Å; E199-R202 WeakPolarHBondContact O-CB 3.37Å; E199-R202 PolarHBondContact O-N 3.39Å; E200-R202 PolarHBondContact O-N 3.46Å |
| 203 | D | 57.1 | Low | 66 | Low | 116 Ų | 116 | 127.7 Ų | 127.7 | 62% | 0.62 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -81.8 | -21.4 | 177.4 | -67.5 | -36.6 | 0 | 0 | 0 | 113 | E199 E200 E205 | E199-D203 PolarHBondContact O-N 3.09Å; E199-D203 VanDerWaalsContact O-N 3.11Å; E200-D203 PolarHBondContact O-N 3.32Å; D203-E205 PolarHBondContact O-N 3.14Å |
| 204 | E | 56.6 | Low | 64.2 | Low | 167 Ų | 167 | 133.9 Ų | 133.9 | 78% | 0.78 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -74.6 | -11.8 | 171.6 | -69.7 | -69.3 | 124.8 | 0 | 0 | 113.1 | S206 | E204-S206 PolarHBondContact O-N 3.36Å; E204-S206 VanDerWaalsContact O-N 3.11Å |
| 205 | E | 56.4 | Low | 62.4 | Low | 165 Ų | 165 | 140.6 Ų | 140.6 | 77% | 0.771 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -88.3 | 61 | 172.1 | -151.4 | 167 | -169.9 | 0 | 0 | 109.8 | D203 | D203-E205 PolarHBondContact O-N 3.14Š|
| 206 | S | 49.1 | Very low | 61 | Low | 64 Ų | 64 | 140.4 Ų | 140.4 | 45% | 0.448 | 72% | 0.724 | S | S | . | * | trans | -66.4 | 135.1 | 176.9 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | E204 Y208 | E204-S206 PolarHBondContact O-N 3.36Å; E204-S206 VanDerWaalsContact O-N 3.11Å; S206-Y208 PolarHBondContact O-N 3.36Å | ||
| 207 | P | 54.2 | Low | 59.6 | Low | 116 Ų | 116 | 140.2 Ų | 140.2 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -68.9 | 10 | 179.3 | 28.7 | -35.1 | 0 | 0 | 0 | 114.8 | ||
| 208 | Y | 52.7 | Low | 58.3 | Low | 189 Ų | 189 | 141.6 Ų | 141.6 | 74% | 0.741 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -80.9 | -10.8 | 177.6 | -92.7 | -85 | 0 | 0 | 0 | 114.7 | S206 T210 | S206-Y208 PolarHBondContact O-N 3.36Å; Y208-T210 VanDerWaalsContact C-N 3.27Å; Y208-T210 PolarHBondContact O-N 3.2Å |
| 209 | A | 50.9 | Low | 56.9 | Low | 89 Ų | 89 | 140.6 Ų | 140.6 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -72.5 | -17.4 | -180 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 210 | T | 51.3 | Low | 55.7 | Low | 127 Ų | 127 | 142.3 Ų | 142.3 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -99.9 | -4.3 | -171.7 | -21.3 | 0 | 0 | 0 | 0 | 114.9 | Y208 | Y208-T210 VanDerWaalsContact C-N 3.27Å; Y208-T210 PolarHBondContact O-N 3.2Å |
| 211 | S | 52.6 | Low | 54.5 | Low | 92 Ų | 92 | 144.2 Ų | 144.2 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -99.1 | 9.7 | -174.6 | 99.5 | 0 | 0 | 0 | 0 | 115.7 | ||
| 212 | L | 53.8 | Low | 53.8 | Low | 149 Ų | 149 | 148.6 Ų | 148.6 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -106.3 | 17.4 | -174.5 | -127.5 | 140.5 | 0 | 0 | 0 | 114.6 | ||
| 213 | Y | 52.3 | Low | 53.2 | Low | 221 Ų | 221 | 144.6 Ų | 144.6 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -130.9 | 48.5 | 173.5 | -74.5 | -80.2 | 0 | 0 | 0 | 112.5 | ||
| 214 | H | 53.1 | Low | 52.9 | Low | 184 Ų | 184 | 147 Ų | 147 | 85% | 0.852 | 80% | 0.796 | S | S | * | * | trans | -137 | 93.7 | 160.7 | -129.7 | 62.7 | 0 | 0 | 0 | 110.8 | ||||
| 215 | S | 51.6 | Low | 52.5 | Low | 201 Ų | 201 | 145.2 Ų | 145.2 | 100% | 1.406 | 80% | 0.798 | S | S | * | * | trans | -161 | 0 | 149.9 | -74.6 | 0 | 0 | 0 | 0 | 108.3 |
Retrieved 215 of 215 residues in 95 ms
(Link to these results)