| 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 | 36.6 | Very low | 50.8 | Low | 228 Ų | 228 | 142.7 Ų | 142.7 | 100% | 1.123 | 69% | 0.694 | S | S | * | * | 0 | 87.7 | 0 | -53.7 | -57.6 | 166.5 | 0 | 0 | 104 | |||||
| 2 | D | 43 | Very low | 51.5 | Low | 151 Ų | 151 | 142.1 Ų | 142.1 | 81% | 0.807 | 69% | 0.688 | S | S | * | * | -139.9 | 127.5 | 61.1 | -58.2 | -43.6 | 0 | 0 | 0 | 111.6 | Y4 | D2-Y4 PolarHBondContact O-N 3.1Å; D2-Y4 VanDerWaalsContact O-N 3.09Å | |||
| 3 | S | 43.6 | Very low | 51.7 | Low | 103 Ų | 103 | 139.3 Ų | 139.3 | 72% | 0.72 | 68% | 0.678 | S | S | * | * | trans | -71.2 | 96.8 | 165.9 | 165.1 | 0 | 0 | 0 | 0 | 107.3 | N5 | S3-N5 PolarHBondContact O-N 3.04Š| ||
| 4 | Y | 43.4 | Very low | 51.9 | Low | 219 Ų | 219 | 139 Ų | 139 | 86% | 0.859 | 68% | 0.675 | S | S | * | * | trans | -60.7 | 102.6 | 172.5 | -131.3 | -94 | 0 | 0 | 0 | 108.2 | D2 E6 | D2-Y4 PolarHBondContact O-N 3.1Å; D2-Y4 VanDerWaalsContact O-N 3.09Å; Y4-E6 PolarHBondContact O-N 3.36Å | ||
| 5 | N | 47.4 | Very low | 52.3 | Low | 104 Ų | 104 | 137.4 Ų | 137.4 | 56% | 0.556 | 67% | 0.669 | S | S | * | * | trans | -81.1 | 112.4 | -178.1 | -104.4 | -24.8 | 0 | 0 | 0 | 108.9 | S3 H7 D8 | S3-N5 PolarHBondContact O-N 3.04Å; N5-H7 PolarHBondContact O-N 2.8Å; N5-D8 PolarHBondContact O-N 2.84Å; N5-D8 VanDerWaalsContact O-N 3.17Å | ||
| 6 | E | 51.2 | Low | 52.4 | Low | 170 Ų | 170 | 134.9 Ų | 134.9 | 79% | 0.794 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | -11.9 | 171.2 | -74.8 | 179.1 | 151.3 | 0 | 0 | 113.7 | Y4 D8 | Y4-E6 PolarHBondContact O-N 3.36Å; E6-D8 VanDerWaalsContact C-N 3.31Å; E6-D8 PolarHBondContact O-N 3.04Å |
| 7 | H | 55.9 | Low | 52.5 | Low | 125 Ų | 125 | 132.9 Ų | 132.9 | 58% | 0.579 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69.5 | -21 | 176 | -101.7 | 60.2 | 0 | 0 | 0 | 114.8 | N5 | N5-H7 PolarHBondContact O-N 2.8Å |
| 8 | D | 58.2 | Low | 52.8 | Low | 91 Ų | 91 | 132.4 Ų | 132.4 | 49% | 0.487 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -76.3 | -29.1 | 180 | -74.9 | -23.2 | 0 | 0 | 0 | 112.2 | N5 E6 Q10 R11 E12 | N5-D8 PolarHBondContact O-N 2.84Å; N5-D8 VanDerWaalsContact O-N 3.17Å; E6-D8 VanDerWaalsContact C-N 3.31Å; E6-D8 PolarHBondContact O-N 3.04Å; D8-Q10 VanDerWaalsContact C-N 3.33Å; D8-Q10 PolarHBondContact O-N 3.22Å; D8-R11 PolarHBondContact O-N 3.37Å; D8-R11 IonicContact OD1-NE 3.55Å; D8-R11 IonicContact OD1-NH2 3.93Å; D8-R11 PolarHBondContact OD1-NH2 3.49Å; D8-E12 PolarHBondContact O-N 2.89Å |
| 9 | D | 60.5 | Low | 52.8 | Low | 103 Ų | 103 | 133.6 Ų | 133.6 | 55% | 0.551 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -66.6 | -34.1 | 174.8 | -72.4 | -7.6 | 0 | 0 | 0 | 111.9 | L13 | D9-L13 WeakPolarHBondContact O-CG 3.31Å; D9-L13 PolarHBondContact O-N 3.33Å; D9-L13 VanDerWaalsContact O-N 3.17Å |
| 10 | Q | 57.7 | Low | 52.5 | Low | 123 Ų | 123 | 133.6 Ų | 133.6 | 58% | 0.575 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -68.7 | -34.7 | 176.9 | -82.6 | 175.9 | -19.3 | 0 | 0 | 112.4 | D8 L13 E14 | D8-Q10 VanDerWaalsContact C-N 3.33Å; D8-Q10 PolarHBondContact O-N 3.22Å; Q10-L13 PolarHBondContact O-N 3.18Å; Q10-E14 PolarHBondContact O-N 2.99Å; Q10-E14 VanDerWaalsContact O-N 3.13Å |
| 11 | R | 61.2 | Low | 52.4 | Low | 153 Ų | 153 | 133.4 Ų | 133.4 | 58% | 0.577 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -71 | -38.2 | 176.3 | -104.5 | -170.3 | -67.9 | -127 | 1.5 | 112.8 | D8 L13 I15 | D8-R11 PolarHBondContact O-N 3.37Å; D8-R11 IonicContact OD1-NE 3.55Å; D8-R11 IonicContact OD1-NH2 3.93Å; D8-R11 PolarHBondContact OD1-NH2 3.49Å; R11-L13 VanDerWaalsContact C-N 3.34Å; R11-I15 WeakPolarHBondContact O-CD1 3.39Å; R11-I15 VanDerWaalsContact O-CG1 3.29Å; R11-I15 WeakPolarHBondContact O-CG1 3.49Å; R11-I15 PolarHBondContact O-N 3.43Å |
| 12 | E | 59.7 | Low | 52.9 | Low | 135 Ų | 135 | 128.5 Ų | 128.5 | 63% | 0.631 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -66 | -37.5 | 175 | -84.8 | -162.7 | 154.6 | 0 | 0 | 112 | D8 I15 I16 | D8-E12 PolarHBondContact O-N 2.89Å; E12-I15 PolarHBondContact O-N 3.17Å; E12-I16 VanDerWaalsContact O-CG1 3.31Å; E12-I16 WeakPolarHBondContact O-CG1 3.44Å; E12-I16 PolarHBondContact O-N 3.33Å; E12-I16 VanDerWaalsContact O-N 3.14Å |
| 13 | L | 53.9 | Low | 53 | Low | 106 Ų | 106 | 128.8 Ų | 128.8 | 56% | 0.555 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.6 | -40.6 | 177.5 | -76.6 | 168.4 | 0 | 0 | 0 | 113 | D9 Q10 R11 I15 I16 I17 | D9-L13 WeakPolarHBondContact O-CG 3.31Å; D9-L13 PolarHBondContact O-N 3.33Å; D9-L13 VanDerWaalsContact O-N 3.17Å; Q10-L13 PolarHBondContact O-N 3.18Å; R11-L13 VanDerWaalsContact C-N 3.34Å; L13-I15 VanDerWaalsContact C-N 3.33Å; L13-I15 PolarHBondContact O-N 3.46Å; L13-I16 PolarHBondContact O-N 3.29Å; L13-I17 WeakPolarHBondContact O-CG1 3.48Å; L13-I17 PolarHBondContact O-N 2.9Å; L13-I17 VanDerWaalsContact O-N 3.07Å |
| 14 | E | 54.8 | Low | 53.1 | Low | 135 Ų | 135 | 131.6 Ų | 131.6 | 63% | 0.631 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -63.5 | -37.9 | 175.1 | -81.3 | -175.5 | 162.7 | 0 | 0 | 112.4 | Q10 I16 I17 H18 | Q10-E14 PolarHBondContact O-N 2.99Å; Q10-E14 VanDerWaalsContact O-N 3.13Å; E14-I16 VanDerWaalsContact C-N 3.3Å; E14-I16 PolarHBondContact O-N 3.02Å; E14-I17 PolarHBondContact O-N 3Å; E14-H18 PolarHBondContact O-N 3.06Å; E14-H18 VanDerWaalsContact O-N 3.09Å |
| 15 | I | 56.9 | Low | 53.1 | Low | 115 Ų | 115 | 128.7 Ų | 128.7 | 59% | 0.59 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.7 | -35.7 | 176 | -67.7 | 167.7 | 0 | 0 | 0 | 111.1 | R11 E12 L13 K19 | R11-I15 WeakPolarHBondContact O-CD1 3.39Å; R11-I15 VanDerWaalsContact O-CG1 3.29Å; R11-I15 WeakPolarHBondContact O-CG1 3.49Å; R11-I15 PolarHBondContact O-N 3.43Å; E12-I15 PolarHBondContact O-N 3.17Å; L13-I15 VanDerWaalsContact C-N 3.33Å; L13-I15 PolarHBondContact O-N 3.46Å; I15-K19 PolarHBondContact O-N 3Å |
| 16 | I | 54.3 | Low | 52.5 | Low | 97 Ų | 97 | 127 Ų | 127 | 50% | 0.497 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -70.6 | -41.6 | 178.2 | -67.5 | 166.2 | 0 | 0 | 0 | 111.1 | E12 L13 E14 K19 Q20 | E12-I16 VanDerWaalsContact O-CG1 3.31Å; E12-I16 WeakPolarHBondContact O-CG1 3.44Å; E12-I16 PolarHBondContact O-N 3.33Å; E12-I16 VanDerWaalsContact O-N 3.14Å; L13-I16 PolarHBondContact O-N 3.29Å; E14-I16 VanDerWaalsContact C-N 3.3Å; E14-I16 PolarHBondContact O-N 3.02Å; I16-K19 PolarHBondContact O-N 3.35Å; I16-Q20 PolarHBondContact O-N 3.46Å |
| 17 | I | 54.8 | Low | 51.6 | Low | 102 Ų | 102 | 125 Ų | 125 | 52% | 0.523 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -64.1 | -45.9 | 179.2 | -65.1 | 169 | 0 | 0 | 0 | 110.6 | L13 E14 K19 Q20 E21 | L13-I17 WeakPolarHBondContact O-CG1 3.48Å; L13-I17 PolarHBondContact O-N 2.9Å; L13-I17 VanDerWaalsContact O-N 3.07Å; E14-I17 PolarHBondContact O-N 3Å; I17-K19 PolarHBondContact O-N 2.93Å; I17-Q20 PolarHBondContact O-N 2.86Å; I17-Q20 VanDerWaalsContact O-N 3.16Å; I17-E21 PolarHBondContact O-N 3.31Å |
| 18 | H | 56.5 | Low | 50.6 | Low | 123 Ų | 123 | 125.1 Ų | 125.1 | 57% | 0.569 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.8 | -22.9 | 179.4 | -105.2 | -52.1 | 0 | 0 | 0 | 114.1 | E14 E21 N22 | E14-H18 PolarHBondContact O-N 3.06Å; E14-H18 VanDerWaalsContact O-N 3.09Å; H18-E21 IonicContact ND1-OE2 3.58Å; H18-N22 PolarHBondContact O-ND2 3.19Å |
| 19 | K | 52.8 | Low | 49.4 | Very low | 155 Ų | 155 | 131 Ų | 131 | 67% | 0.674 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -77.8 | -24 | 177 | -138.3 | 175.6 | -173.3 | 178.5 | 0 | 112.7 | I15 I16 I17 | I15-K19 PolarHBondContact O-N 3Å; I16-K19 PolarHBondContact O-N 3.35Å; I17-K19 PolarHBondContact O-N 2.93Å |
| 20 | Q | 47.7 | Very low | 48.2 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 63% | 0.626 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -81.2 | -34.4 | 177.4 | -72.3 | -171.8 | -19.2 | 0 | 0 | 112.5 | I16 I17 N22 Q23 | I16-Q20 PolarHBondContact O-N 3.46Å; I17-Q20 PolarHBondContact O-N 2.86Å; I17-Q20 VanDerWaalsContact O-N 3.16Å; Q20-N22 VanDerWaalsContact C-N 3.26Å; Q20-N22 PolarHBondContact O-N 3.14Å; Q20-Q23 PolarHBondContact O-N 3.41Å |
| 21 | E | 50.3 | Low | 46.9 | Very low | 129 Ų | 129 | 136.7 Ų | 136.7 | 60% | 0.603 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -66 | -27.4 | 179.7 | -69.9 | -175 | 156.1 | 0 | 0 | 113.2 | I17 H18 Q23 | I17-E21 PolarHBondContact O-N 3.31Å; H18-E21 IonicContact ND1-OE2 3.58Å; E21-Q23 PolarHBondContact O-N 3.43Å |
| 22 | N | 46.8 | Very low | 45.6 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 67% | 0.668 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | 6.2 | -179.5 | -70.9 | -46.4 | 0 | 0 | 0 | 114.9 | H18 Q20 | H18-N22 PolarHBondContact O-ND2 3.19Å; Q20-N22 VanDerWaalsContact C-N 3.26Å; Q20-N22 PolarHBondContact O-N 3.14Å |
| 23 | Q | 44.5 | Very low | 44.1 | Very low | 157 Ų | 157 | 140 Ų | 140 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | 2.8 | 178 | -73.3 | -170.5 | -4.5 | 0 | 0 | 114.6 | Q20 E21 | Q20-Q23 PolarHBondContact O-N 3.41Å; E21-Q23 PolarHBondContact O-N 3.43Å |
| 24 | H | 47.1 | Very low | 43 | Very low | 162 Ų | 162 | 140.6 Ų | 140.6 | 75% | 0.75 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -98.6 | -3.8 | -175.1 | -81.4 | -68.9 | 0 | 0 | 0 | 116.9 | G26 | H24-G26 PolarHBondContact O-N 2.94Š|
| 25 | D | 43 | Very low | 42 | Very low | 159 Ų | 159 | 139.6 Ų | 139.6 | 85% | 0.85 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | 21.3 | -175 | -73.8 | -27.7 | 0 | 0 | 0 | 115.7 | ||
| 26 | G | 34.4 | Very low | 40.7 | Very low | 67 Ų | 67 | 139.4 Ų | 139.4 | 69% | 0.691 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | -1.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | H24 V28 | H24-G26 PolarHBondContact O-N 2.94Å; G26-V28 PolarHBondContact O-N 2.92Å |
| 27 | C | 32 | Very low | 39.7 | Very low | 128 Ų | 128 | 141.2 Ų | 141.2 | 87% | 0.865 | 75% | 0.75 | S | S | * | * | trans | -89.7 | 84.2 | -178 | -84.2 | 0 | 0 | 0 | 0 | 111.6 | R29 | C27-R29 PolarHBondContact O-N 3.45Å; C27-R29 VanDerWaalsContact O-N 3.11Å | ||
| 28 | V | 34.9 | Very low | 38.6 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | -65.5 | 107.8 | 168.4 | 178.4 | 0 | 0 | 0 | 0 | 109 | G26 M30 | G26-V28 PolarHBondContact O-N 2.92Å; V28-M30 PolarHBondContact O-N 3.26Å | ||
| 29 | R | 33.8 | Very low | 37.5 | Very low | 216 Ų | 216 | 143.2 Ų | 143.2 | 82% | 0.815 | 77% | 0.774 | S | S | * | * | trans | -66.4 | 105.4 | 174.5 | -174.8 | 178 | 171.5 | 97 | -1.2 | 109.3 | C27 E31 | C27-R29 PolarHBondContact O-N 3.45Å; C27-R29 VanDerWaalsContact O-N 3.11Å; R29-E31 PolarHBondContact O-N 2.97Å | ||
| 30 | M | 34.2 | Very low | 36.4 | Very low | 174 Ų | 174 | 141.5 Ų | 141.5 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | trans | -73.8 | 104.8 | 172.6 | -69.7 | -82.2 | -117 | 0 | 0 | 109.1 | V28 S32 | V28-M30 PolarHBondContact O-N 3.26Å; M30-S32 PolarHBondContact O-N 2.7Å | ||
| 31 | E | 30.7 | Very low | 35.8 | Very low | 170 Ų | 170 | 142 Ų | 142 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | -75.7 | 97.9 | 172.8 | -65.4 | -172.8 | 158 | 0 | 0 | 110 | R29 R33 | R29-E31 PolarHBondContact O-N 2.97Å; E31-R33 PolarHBondContact O-N 2.98Å | ||
| 32 | S | 34.4 | Very low | 34.8 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | -75.7 | 105.7 | 168.2 | 53 | 0 | 0 | 0 | 0 | 109.4 | M30 S34 | M30-S32 PolarHBondContact O-N 2.7Å; S32-S34 PolarHBondContact O-N 2.89Å | ||
| 33 | R | 28.8 | Very low | 33.9 | Very low | 243 Ų | 243 | 142 Ų | 142 | 92% | 0.917 | 80% | 0.795 | S | S | * | * | trans | -55 | 114.7 | 170.3 | -83.3 | 168.3 | 166.4 | 159.6 | -4.5 | 110.4 | E31 S35 | E31-R33 PolarHBondContact O-N 2.98Å; R33-S35 PolarHBondContact O-N 3.4Å | ||
| 34 | S | 30.2 | Very low | 33.4 | Very low | 117 Ų | 117 | 141.6 Ų | 141.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -68.1 | 112.1 | 168.8 | 52.1 | 0 | 0 | 0 | 0 | 110.3 | S32 | S32-S34 PolarHBondContact O-N 2.89Š| ||
| 35 | S | 33.6 | Very low | 32.6 | Very low | 114 Ų | 114 | 142 Ų | 142 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -86.5 | 112.8 | 161.6 | 44.6 | 0 | 0 | 0 | 0 | 108.9 | R33 | R33-S35 PolarHBondContact O-N 3.4Š| ||
| 36 | S | 29 | Very low | 32.1 | Very low | 111 Ų | 111 | 141.5 Ų | 141.5 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -62.8 | 119.7 | 171.6 | 51.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 37 | T | 34.9 | Very low | 32 | Very low | 136 Ų | 136 | 145.8 Ų | 145.8 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | -140.6 | 103.4 | 146.9 | 52.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 38 | S | 31.6 | Very low | 32 | Very low | 100 Ų | 100 | 147.3 Ų | 147.3 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | trans | -54.4 | 126.5 | 162.4 | 48.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 39 | D | 33.9 | Very low | 31.8 | Very low | 166 Ų | 166 | 145.6 Ų | 145.6 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | -144 | 117.9 | 139.4 | -88.1 | -37 | 0 | 0 | 0 | 108.1 | ||||
| 40 | V | 28.4 | Very low | 31.5 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | trans | -89.3 | 110.7 | -175.6 | 171.7 | 0 | 0 | 0 | 0 | 106.7 | T42 | V40-T42 HydrophobicContact CG1-CG2 4.15Š| ||
| 41 | T | 35 | Very low | 31.1 | Very low | 144 Ų | 144 | 142 Ų | 142 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -123 | 105.1 | 156 | 49.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 42 | T | 29.8 | Very low | 31 | Very low | 106 Ų | 106 | 142.1 Ų | 142.1 | 65% | 0.65 | 81% | 0.809 | S | S | * | * | trans | -73.9 | 142.9 | 174.6 | 34 | 0 | 0 | 0 | 0 | 111.9 | V40 | V40-T42 HydrophobicContact CG1-CG2 4.15Š| ||
| 43 | I | 28.4 | Very low | 30.7 | Very low | 149 Ų | 149 | 145.3 Ų | 145.3 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | trans | 77.6 | 111 | 149.9 | -54.2 | 149.2 | 0 | 0 | 0 | 115.7 | ||||
| 44 | D | 32.3 | Very low | 30.5 | Very low | 148 Ų | 148 | 141.1 Ų | 141.1 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | -160.1 | 125.6 | 90.2 | -137.8 | -15.6 | 0 | 0 | 0 | 110.3 | |||||
| 45 | E | 30.7 | Very low | 30.5 | Very low | 172 Ų | 172 | 143.9 Ų | 143.9 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -91.8 | 131.7 | 171.2 | -73.9 | 179.1 | 156.9 | 0 | 0 | 107 | ||||
| 46 | N | 33.7 | Very low | 30.3 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | trans | 90.9 | 83 | 179.3 | -47.9 | -33 | 0 | 0 | 0 | 114.3 | ||||
| 47 | D | 31.6 | Very low | 30.3 | Very low | 158 Ų | 158 | 146.1 Ų | 146.1 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | -167 | 146.9 | 126.2 | -95.3 | -26.7 | 0 | 0 | 0 | 110.7 | |||||
| 48 | I | 32.1 | Very low | 30 | Very low | 159 Ų | 159 | 145.2 Ų | 145.2 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | trans | 91.3 | 83.3 | 171.2 | -46.2 | 159.4 | 0 | 0 | 0 | 114.3 | ||||
| 49 | A | 31.3 | Very low | 29.8 | Very low | 92 Ų | 92 | 148 Ų | 148 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | -50.5 | 135.5 | 158.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E51 | A49-E51 PolarHBondContact O-N 3.44Å; A49-E51 VanDerWaalsContact O-N 3.14Å | ||
| 50 | C | 26.3 | Very low | 29.5 | Very low | 132 Ų | 132 | 146.3 Ų | 146.3 | 89% | 0.892 | 79% | 0.793 | S | S | * | * | trans | -67 | 98.9 | 177.2 | -58 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 51 | E | 26.3 | Very low | 29.6 | Very low | 182 Ų | 182 | 147.8 Ų | 147.8 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -140.6 | 84 | 159 | -76.6 | -172.4 | 170.8 | 0 | 0 | 109 | A49 | A49-E51 PolarHBondContact O-N 3.44Å; A49-E51 VanDerWaalsContact O-N 3.14Å | ||
| 52 | I | 29.3 | Very low | 29.3 | Very low | 173 Ų | 173 | 152.7 Ų | 152.7 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | -128.4 | 108.6 | 160 | -59.5 | -178.8 | 0 | 0 | 0 | 107.8 | ||||
| 53 | E | 27 | Very low | 29.2 | Very low | 184 Ų | 184 | 153.3 Ų | 153.3 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -62.1 | 149.3 | 177.6 | -67.9 | 178.2 | 145.6 | 0 | 0 | 112.2 | H55 | E53-H55 PolarHBondContact O-N 3.05Š| ||
| 54 | I | 24.2 | Very low | 29.1 | Very low | 155 Ų | 155 | 153.7 Ų | 153.7 | 80% | 0.795 | 80% | 0.797 | S | S | * | * | trans | -60.3 | 118.7 | -177.9 | -61.6 | 155.9 | 0 | 0 | 0 | 110.1 | ||||
| 55 | H | 31.6 | Very low | 28.9 | Very low | 174 Ų | 174 | 153.5 Ų | 153.5 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | -127.9 | 110.4 | 152.6 | -112.7 | -68.1 | 0 | 0 | 0 | 110 | E53 Q57 | E53-H55 PolarHBondContact O-N 3.05Å; H55-Q57 PolarHBondContact O-N 3.39Å | ||
| 56 | P | 27.8 | Very low | 28.7 | Very low | 105 Ų | 105 | 150 Ų | 150 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | trans | -78.2 | 109 | 178 | 30.1 | -28.2 | 0 | 0 | 0 | 108.7 | ||||
| 57 | Q | 30.7 | Very low | 28.3 | Very low | 167 Ų | 167 | 152.3 Ų | 152.3 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | trans | -97.8 | 120.9 | 167.4 | -74.7 | -107.8 | -5.6 | 0 | 0 | 108.5 | H55 L59 | H55-Q57 PolarHBondContact O-N 3.39Å; Q57-L59 PolarHBondContact O-N 3.08Å | ||
| 58 | P | 28.9 | Very low | 28 | Very low | 118 Ų | 118 | 149.2 Ų | 149.2 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | trans | -75.6 | 111.8 | 175.1 | 28.4 | -29.2 | 0 | 0 | 0 | 109.4 | D60 | P58-D60 PolarHBondContact O-N 2.99Š| ||
| 59 | L | 26.7 | Very low | 27.7 | Very low | 158 Ų | 158 | 147.6 Ų | 147.6 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -81.8 | 105.9 | 169 | -105.9 | 108.9 | 0 | 0 | 0 | 109.5 | Q57 | Q57-L59 PolarHBondContact O-N 3.08Š| ||
| 60 | D | 26.7 | Very low | 27.5 | Very low | 130 Ų | 130 | 148.8 Ų | 148.8 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | trans | -76.6 | 143.4 | 172.5 | -128.9 | -7 | 0 | 0 | 0 | 109.6 | P58 | P58-D60 PolarHBondContact O-N 2.99Š| ||
| 61 | H | 30.8 | Very low | 27.5 | Very low | 151 Ų | 151 | 147.4 Ų | 147.4 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | trans | 75.5 | 84.3 | 168.2 | -48.6 | 84.5 | 0 | 0 | 0 | 118.5 | ||||
| 62 | W | 28.3 | Very low | 27.5 | Very low | 246 Ų | 246 | 149.2 Ų | 149.2 | 93% | 0.932 | 77% | 0.768 | S | S | * | * | trans | -98.6 | 107.9 | 150.7 | -77 | 15.4 | 0 | 0 | 0 | 108.8 | ||||
| 63 | V | 28.3 | Very low | 27.4 | Very low | 120 Ų | 120 | 149.3 Ų | 149.3 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -70.7 | 136 | 176.2 | 171.5 | 0 | 0 | 0 | 0 | 109.2 | D65 | V63-D65 PolarHBondContact O-N 3.49Š| ||
| 64 | E | 26 | Very low | 27.4 | Very low | 156 Ų | 156 | 146.6 Ų | 146.6 | 73% | 0.729 | 76% | 0.76 | S | S | * | * | trans | -60.9 | 114 | 172.4 | -62.8 | -175.2 | 165.8 | 0 | 0 | 111.1 | ||||
| 65 | D | 28.2 | Very low | 27.6 | Very low | 145 Ų | 145 | 144.7 Ų | 144.7 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | trans | -114.2 | 108.8 | 165.1 | -91.2 | -22.2 | 0 | 0 | 0 | 110.9 | V63 | V63-D65 PolarHBondContact O-N 3.49Š| ||
| 66 | S | 27.6 | Very low | 27.3 | Very low | 98 Ų | 98 | 142.8 Ų | 142.8 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | trans | 62.9 | 97.5 | 140.7 | 48.6 | 0 | 0 | 0 | 0 | 120 | A68 | S66-A68 PolarHBondContact O-N 2.95Š| ||
| 67 | Y | 24.1 | Very low | 27.3 | Very low | 195 Ų | 195 | 145.4 Ų | 145.4 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | trans | -44.1 | 119.1 | 152.9 | -43.4 | -90.7 | 0 | 0 | 0 | 112.9 | ||||
| 68 | A | 26.3 | Very low | 27.1 | Very low | 94 Ų | 94 | 142.6 Ų | 142.6 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | trans | -95.8 | 99 | 170 | 0 | 0 | 0 | 0 | 0 | 110.4 | S66 V70 | S66-A68 PolarHBondContact O-N 2.95Å; A68-V70 PolarHBondContact O-N 2.81Å | ||
| 69 | T | 25 | Very low | 27 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | trans | -71.1 | 104.9 | 175.8 | -55 | 0 | 0 | 0 | 0 | 110.7 | V71 | T69-V71 HydrophobicContact CG2-CG2 4.17Å; T69-V71 PolarHBondContact O-N 3.46Å | ||
| 70 | V | 28.4 | Very low | 26.9 | Very low | 118 Ų | 118 | 141.5 Ų | 141.5 | 72% | 0.715 | 76% | 0.759 | S | S | * | * | trans | -86.4 | 97.1 | 172 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | A68 R72 | A68-V70 PolarHBondContact O-N 2.81Å; V70-R72 HydrophobicContact CG1-CG 4.28Å; V70-R72 PolarHBondContact O-N 2.87Å | ||
| 71 | V | 25.4 | Very low | 26.8 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 62% | 0.624 | 76% | 0.764 | S | S | * | * | trans | -68.4 | 103.6 | 172.8 | 179.3 | 0 | 0 | 0 | 0 | 108.9 | T69 | T69-V71 HydrophobicContact CG2-CG2 4.17Å; T69-V71 PolarHBondContact O-N 3.46Å | ||
| 72 | R | 25.5 | Very low | 26.6 | Very low | 220 Ų | 220 | 140.5 Ų | 140.5 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | trans | -94.8 | 108.3 | 168.5 | -72.4 | -171.8 | 176.8 | 177.7 | 0.1 | 109.1 | V70 T74 | V70-R72 HydrophobicContact CG1-CG 4.28Å; V70-R72 PolarHBondContact O-N 2.87Å; R72-T74 PolarHBondContact O-N 2.84Å | ||
| 73 | H | 28 | Very low | 26.5 | Very low | 175 Ų | 175 | 134.1 Ų | 134.1 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | trans | -63.6 | 111.1 | 173.4 | -69.2 | -85.4 | 0 | 0 | 0 | 110.5 | ||||
| 74 | T | 26.2 | Very low | 26.4 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | -91 | 126.3 | 166.6 | 42.6 | 0 | 0 | 0 | 0 | 109.8 | R72 | R72-T74 PolarHBondContact O-N 2.84Š| ||
| 75 | P | 29 | Very low | 26.4 | Very low | 116 Ų | 116 | 133 Ų | 133 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | trans | -75.3 | 135.6 | -174.2 | 28.9 | -32.2 | 0 | 0 | 0 | 112.1 | I77 | P75-I77 PolarHBondContact O-N 3.48Š| ||
| 76 | V | 26 | Very low | 26.5 | Very low | 134 Ų | 134 | 133.8 Ų | 133.8 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | trans | -70.7 | 112.7 | 177.5 | 177.9 | 0 | 0 | 0 | 0 | 109.2 | T78 | V76-T78 HydrophobicContact CG1-CG2 4.39Š| ||
| 77 | I | 27.7 | Very low | 26.5 | Very low | 159 Ų | 159 | 135.2 Ų | 135.2 | 82% | 0.815 | 77% | 0.772 | S | S | * | * | trans | -107.6 | 117.8 | 165.8 | -58 | 178.3 | 0 | 0 | 0 | 107.1 | P75 | P75-I77 PolarHBondContact O-N 3.48Š| ||
| 78 | T | 27.1 | Very low | 26.6 | Very low | 108 Ų | 108 | 130.2 Ų | 130.2 | 66% | 0.663 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 152.6 | -176.5 | 41.6 | 0 | 0 | 0 | 0 | 112.1 | V76 | V76-T78 HydrophobicContact CG1-CG2 4.39Š|
| 79 | P | 25.2 | Very low | 26.9 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 130.5 | -164.9 | 18.8 | -6.3 | 0 | 0 | 0 | 111.7 | ||
| 80 | T | 26 | Very low | 27.2 | Very low | 132 Ų | 132 | 135 Ų | 135 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 116.3 | 170.7 | -32.6 | 0 | 0 | 0 | 0 | 109.5 | V82 | T80-V82 PolarHBondContact O-N 2.95Š|
| 81 | T | 24.4 | Very low | 27.4 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | -59.1 | 111.8 | 175.4 | -43.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 82 | V | 26.4 | Very low | 27.9 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | trans | -115.3 | 120.9 | 166.7 | -176.6 | 0 | 0 | 0 | 0 | 107.9 | T80 | T80-V82 PolarHBondContact O-N 2.95Š| ||
| 83 | T | 26.1 | Very low | 28.4 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | trans | -70.3 | 150.9 | -178.7 | 41.7 | 0 | 0 | 0 | 0 | 111.6 | V85 | T83-V85 PolarHBondContact O-N 3.01Š| ||
| 84 | P | 26.3 | Very low | 28.7 | Very low | 129 Ų | 129 | 133.2 Ų | 133.2 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | trans | -83.3 | 121.5 | -168.8 | 19.3 | -6.9 | 0 | 0 | 0 | 110.9 | ||||
| 85 | V | 26.4 | Very low | 29.1 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 76% | 0.758 | 77% | 0.767 | S | S | * | * | trans | -88.4 | 112.9 | 168 | 177.2 | 0 | 0 | 0 | 0 | 108.3 | T83 T87 | T83-V85 PolarHBondContact O-N 3.01Å; V85-T87 PolarHBondContact O-N 3.02Å; V85-T87 PolarHBondContact O-OG1 3.47Å | ||
| 86 | N | 28.4 | Very low | 29.2 | Very low | 160 Ų | 160 | 133.7 Ų | 133.7 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | trans | -47.4 | 107.6 | 168.3 | -91.5 | -33.4 | 0 | 0 | 0 | 111 | ||||
| 87 | T | 27.5 | Very low | 29.5 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | -126.1 | 69.6 | 163.5 | 22.8 | 0 | 0 | 0 | 0 | 108.4 | V85 N89 | V85-T87 PolarHBondContact O-N 3.02Å; V85-T87 PolarHBondContact O-OG1 3.47Å; T87-N89 PolarHBondContact O-N 3.01Å | ||
| 88 | A | 27.4 | Very low | 29.6 | Very low | 89 Ų | 89 | 132.9 Ų | 132.9 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | trans | -69.7 | 103 | 155.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 89 | N | 31.5 | Very low | 29.8 | Very low | 146 Ų | 146 | 136.2 Ų | 136.2 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 171.6 | 24.8 | 151.5 | -90.8 | 2.3 | 0 | 0 | 0 | 117.1 | T87 | T87-N89 PolarHBondContact O-N 3.01Š|
| 90 | H | 33.3 | Very low | 30.3 | Very low | 172 Ų | 172 | 137.8 Ų | 137.8 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -137.2 | 20 | 179.9 | -98.4 | -68.6 | 0 | 0 | 0 | 119 | ||
| 91 | N | 31 | Very low | 30.7 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | trans | -109 | 8.3 | -178.7 | -69.5 | -0.4 | 0 | 0 | 0 | 116.2 | E93 | N91-E93 VanDerWaalsContact C-N 3.29Å; N91-E93 PolarHBondContact O-N 3.44Å | ||
| 92 | T | 36.8 | Very low | 31.2 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 77% | 0.767 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 1.2 | -179.8 | 25.6 | 0 | 0 | 0 | 0 | 115.6 | ||
| 93 | E | 35.4 | Very low | 31.5 | Very low | 172 Ų | 172 | 141.7 Ų | 141.7 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | -4 | -177.5 | -141.3 | 171.3 | -168.2 | 0 | 0 | 114.9 | N91 | N91-E93 VanDerWaalsContact C-N 3.29Å; N91-E93 PolarHBondContact O-N 3.44Å |
| 94 | M | 34.6 | Very low | 32.3 | Very low | 146 Ų | 146 | 142 Ų | 142 | 72% | 0.719 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.1 | -22.5 | 175.1 | -82.4 | -70.7 | -165.5 | 0 | 0 | 114.2 | N96 | M94-N96 VanDerWaalsContact C-N 3.34Å; M94-N96 PolarHBondContact O-N 2.94Å |
| 95 | D | 35.1 | Very low | 32.5 | Very low | 114 Ų | 114 | 145.3 Ų | 145.3 | 61% | 0.61 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -79.7 | -13.5 | -177.5 | -73.2 | -22.7 | 0 | 0 | 0 | 113.8 | ||
| 96 | N | 31.1 | Very low | 32.9 | Very low | 137 Ų | 137 | 143.9 Ų | 143.9 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -90.9 | -2.8 | 177.9 | -77.4 | -17.3 | 0 | 0 | 0 | 114.8 | M94 | M94-N96 VanDerWaalsContact C-N 3.34Å; M94-N96 PolarHBondContact O-N 2.94Å |
| 97 | L | 31.8 | Very low | 33 | Very low | 137 Ų | 137 | 140.1 Ų | 140.1 | 72% | 0.717 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -93.7 | -0.3 | 177.4 | -85.8 | 159.4 | 0 | 0 | 0 | 114 | ||
| 98 | I | 30.8 | Very low | 33.3 | Very low | 140 Ų | 140 | 141.2 Ų | 141.2 | 72% | 0.718 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -97.1 | -1.7 | -176.4 | -62 | 179.2 | 0 | 0 | 0 | 112.8 | ||
| 99 | Q | 30.7 | Very low | 33.5 | Very low | 178 Ų | 178 | 144 Ų | 144 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -124 | 13.6 | -173.4 | -113.1 | 151.3 | -23.6 | 0 | 0 | 117.1 | ||
| 100 | E | 35.2 | Very low | 33.6 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 72% | 0.724 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -111.5 | 110.1 | 169.7 | -105.1 | -179.7 | 159.2 | 0 | 0 | 111.1 | ||
| 101 | N | 35.6 | Very low | 33.5 | Very low | 133 Ų | 133 | 143.4 Ų | 143.4 | 71% | 0.711 | 71% | 0.713 | S | S | * | * | trans | 69.4 | 44.3 | 150.7 | -52.8 | -35.1 | 0 | 0 | 0 | 119.1 | E103 | N101-E103 PolarHBondContact O-N 2.83Š| ||
| 102 | L | 33.8 | Very low | 33.5 | Very low | 163 Ų | 163 | 140 Ų | 140 | 85% | 0.853 | 70% | 0.704 | S | S | * | * | trans | -77.6 | 63.6 | 150.1 | -103.4 | 94.7 | 0 | 0 | 0 | 110.1 | V104 | L102-V104 VanDerWaalsContact C-N 3.29Å; L102-V104 PolarHBondContact O-N 2.99Å; L102-V104 VanDerWaalsContact O-N 3.07Å | ||
| 103 | E | 33.8 | Very low | 33.2 | Very low | 176 Ų | 176 | 142.4 Ų | 142.4 | 82% | 0.822 | 70% | 0.704 | S | S | * | * | trans | -70 | 98.4 | 153.7 | -75.8 | -172.5 | 165 | 0 | 0 | 106.2 | N101 Y105 | N101-E103 PolarHBondContact O-N 2.83Å; E103-Y105 VanDerWaalsContact C-N 3.35Å; E103-Y105 PolarHBondContact O-N 2.72Å | ||
| 104 | V | 41.1 | Very low | 33 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | trans | -59.6 | 101.6 | 172.8 | 176.1 | 0 | 0 | 0 | 0 | 106.8 | L102 N106 | L102-V104 VanDerWaalsContact C-N 3.29Å; L102-V104 PolarHBondContact O-N 2.99Å; L102-V104 VanDerWaalsContact O-N 3.07Å; V104-N106 VanDerWaalsContact C-N 3.31Å; V104-N106 PolarHBondContact O-N 2.89Å | ||
| 105 | Y | 32 | Very low | 32.7 | Very low | 198 Ų | 198 | 141.9 Ų | 141.9 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | trans | -58 | 97.3 | 171.8 | 178.5 | -101.8 | 0 | 0 | 0 | 108.1 | E103 P107 | E103-Y105 VanDerWaalsContact C-N 3.35Å; E103-Y105 PolarHBondContact O-N 2.72Å; Y105-P107 HydrophobicContact CD1-CG 4.46Å; Y105-P107 HydrophobicContact CE1-CB 3.89Å; Y105-P107 HydrophobicContact CE1-CG 4.17Å; Y105-P107 WeakPolarHBondContact O-CD 3.44Å | ||
| 106 | N | 34.3 | Very low | 32.3 | Very low | 95 Ų | 95 | 145.1 Ų | 145.1 | 51% | 0.508 | 71% | 0.706 | S | S | . | * | trans | -99.4 | 94.6 | 175.2 | -173.1 | -5.8 | 0 | 0 | 0 | 107.7 | V104 H108 E109 | V104-N106 VanDerWaalsContact C-N 3.31Å; V104-N106 PolarHBondContact O-N 2.89Å; N106-H108 PolarHBondContact O-N 3.23Å; N106-H108 WeakPolarHBondContact OD1-CB 3.39Å; N106-H108 PolarHBondContact OD1-N 3.23Å; N106-E109 PolarHBondContact O-N 3.3Å | ||
| 107 | P | 31.3 | Very low | 32.1 | Very low | 80 Ų | 80 | 145 Ų | 145 | 52% | 0.519 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -62.7 | -6.7 | -176.3 | 23.3 | -32.5 | 0 | 0 | 0 | 113.8 | Y105 | Y105-P107 HydrophobicContact CD1-CG 4.46Å; Y105-P107 HydrophobicContact CE1-CB 3.89Å; Y105-P107 HydrophobicContact CE1-CG 4.17Å; Y105-P107 WeakPolarHBondContact O-CD 3.44Å |
| 108 | H | 32.1 | Very low | 32 | Very low | 153 Ų | 153 | 143.5 Ų | 143.5 | 71% | 0.708 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -78.7 | -24.7 | -179.6 | -132.1 | -87.8 | 0 | 0 | 0 | 113.8 | N106 | N106-H108 PolarHBondContact O-N 3.23Å; N106-H108 WeakPolarHBondContact OD1-CB 3.39Å; N106-H108 PolarHBondContact OD1-N 3.23Å |
| 109 | E | 32.9 | Very low | 32 | Very low | 147 Ų | 147 | 147 Ų | 147 | 69% | 0.687 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -84 | -30.4 | -172.5 | -119.3 | -175.7 | 172.1 | 0 | 0 | 113.9 | N106 | N106-E109 PolarHBondContact O-N 3.3Å |
| 110 | E | 32.4 | Very low | 32.1 | Very low | 136 Ų | 136 | 144.8 Ų | 144.8 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -84.4 | -27.3 | 177 | -143.7 | -174.1 | 170 | 0 | 0 | 112.6 | A112 K113 | E110-A112 VanDerWaalsContact C-N 3.34Å; E110-A112 PolarHBondContact O-N 3.3Å; E110-K113 PolarHBondContact O-N 3.38Å |
| 111 | Y | 31.3 | Very low | 31.8 | Very low | 170 Ų | 170 | 140.4 Ų | 140.4 | 67% | 0.667 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -66.7 | -36.7 | 178.3 | -157.6 | -96.2 | 0 | 0 | 0 | 112.1 | K113 K114 | Y111-K113 VanDerWaalsContact C-N 3.3Å; Y111-K113 PolarHBondContact O-N 3.24Å; Y111-K114 PolarHBondContact O-N 3.34Å |
| 112 | A | 30.7 | Very low | 31.6 | Very low | 65 Ų | 65 | 138.3 Ų | 138.3 | 54% | 0.537 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -67.8 | -26.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | E110 K114 | E110-A112 VanDerWaalsContact C-N 3.34Å; E110-A112 PolarHBondContact O-N 3.3Å; A112-K114 VanDerWaalsContact C-N 3.34Å; A112-K114 PolarHBondContact O-N 3.26Å |
| 113 | K | 32.4 | Very low | 31.4 | Very low | 176 Ų | 176 | 132.7 Ų | 132.7 | 77% | 0.765 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -78.1 | -13.3 | -178.1 | -81.3 | 178.9 | 179.1 | 170.3 | 0 | 114.5 | E110 Y111 | E110-K113 PolarHBondContact O-N 3.38Å; Y111-K113 VanDerWaalsContact C-N 3.3Å; Y111-K113 PolarHBondContact O-N 3.24Å |
| 114 | K | 30.8 | Very low | 31.1 | Very low | 156 Ų | 156 | 133 Ų | 133 | 68% | 0.678 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 6.5 | 179 | -74 | -177.6 | -178.9 | 169.6 | 0 | 114.3 | Y111 A112 F116 | Y111-K114 PolarHBondContact O-N 3.34Å; A112-K114 VanDerWaalsContact C-N 3.34Å; A112-K114 PolarHBondContact O-N 3.26Å; K114-F116 PolarHBondContact O-N 3.2Å |
| 115 | Q | 27.6 | Very low | 30.4 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 71% | 0.706 | 66% | 0.662 | S | S | * | * | trans | -79.8 | 19.1 | -174.7 | -152.8 | 152.9 | -17.2 | 0 | 0 | 114.6 | ||||
| 116 | F | 26.7 | Very low | 30.1 | Very low | 182 Ų | 182 | 131.8 Ų | 131.8 | 80% | 0.798 | 66% | 0.66 | S | S | * | * | trans | -90.4 | 116.1 | 174.9 | -110.7 | -92.4 | 0 | 0 | 0 | 111.3 | K114 | K114-F116 PolarHBondContact O-N 3.2Š| ||
| 117 | D | 26.1 | Very low | 29.7 | Very low | 133 Ų | 133 | 135.5 Ų | 135.5 | 71% | 0.711 | 67% | 0.668 | S | S | * | * | trans | 62 | 95.8 | 153.5 | -59.4 | -22.6 | 0 | 0 | 0 | 120.5 | ||||
| 118 | S | 30 | Very low | 29.4 | Very low | 107 Ų | 107 | 138.3 Ų | 138.3 | 75% | 0.748 | 68% | 0.679 | S | S | * | * | 174.5 | 143.1 | 111.2 | 50.8 | 0 | 0 | 0 | 0 | 112 | L120 | S118-L120 PolarHBondContact O-N 3.28Š| |||
| 119 | K | 32.1 | Very low | 29.1 | Very low | 213 Ų | 213 | 139.8 Ų | 139.8 | 93% | 0.926 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -76.4 | 26.9 | -166.4 | -132.5 | 173.4 | -174.6 | 178.7 | 0 | 115.1 | ||
| 120 | L | 32.3 | Very low | 28.7 | Very low | 132 Ų | 132 | 137.1 Ų | 137.1 | 69% | 0.691 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -141.1 | 110.9 | 174.8 | -70.7 | 169.8 | 0 | 0 | 0 | 106.5 | S118 I122 | S118-L120 PolarHBondContact O-N 3.28Å; L120-I122 HydrophobicContact CB-CD1 4.47Å; L120-I122 HydrophobicContact CB-CG1 4.35Å; L120-I122 PolarHBondContact O-N 3.43Å |
| 121 | G | 27.9 | Very low | 28.5 | Very low | 62 Ų | 62 | 136.5 Ų | 136.5 | 64% | 0.639 | 69% | 0.691 | S | S | * | * | trans | -67.8 | 60.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G123 | G121-G123 VanDerWaalsContact C-N 3.34Å; G121-G123 PolarHBondContact O-N 2.78Å; G121-G123 VanDerWaalsContact O-N 3.13Å | ||
| 122 | I | 31.1 | Very low | 28.1 | Very low | 90 Ų | 90 | 136.9 Ų | 136.9 | 46% | 0.462 | 70% | 0.699 | S | S | . | * | trans | -76.6 | 93.3 | 168.1 | -54.2 | 170.9 | 0 | 0 | 0 | 104.7 | L120 Y124 | L120-I122 HydrophobicContact CB-CD1 4.47Å; L120-I122 HydrophobicContact CB-CG1 4.35Å; L120-I122 PolarHBondContact O-N 3.43Å; I122-Y124 VanDerWaalsContact C-N 3.29Å; I122-Y124 HydrophobicContact CB-CD2 4.45Å; I122-Y124 HydrophobicContact CB-CE2 4.09Å; I122-Y124 HydrophobicContact CG2-CD2 4.23Å; I122-Y124 HydrophobicContact CG2-CE1 4.41Å; I122-Y124 HydrophobicContact CG2-CE2 3.98Å; I122-Y124 VanDerWaalsContact O-CD2 3.23Å; I122-Y124 WeakPolarHBondContact O-CD2 3.24Å; I122-Y124 PolarHBondContact O-N 2.86Å | ||
| 123 | G | 30.7 | Very low | 27.9 | Very low | 44 Ų | 44 | 141.1 Ų | 141.1 | 45% | 0.454 | 71% | 0.711 | S | S | . | * | trans | -62.6 | 94.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | G121 N125 | G121-G123 VanDerWaalsContact C-N 3.34Å; G121-G123 PolarHBondContact O-N 2.78Å; G121-G123 VanDerWaalsContact O-N 3.13Å; G123-N125 PolarHBondContact O-N 2.83Å | ||
| 124 | Y | 26.9 | Very low | 27.6 | Very low | 184 Ų | 184 | 141 Ų | 141 | 72% | 0.722 | 71% | 0.713 | S | S | * | * | trans | -68.1 | 100.1 | 170.6 | -72.9 | -86.5 | 0 | 0 | 0 | 108.4 | I122 | I122-Y124 VanDerWaalsContact C-N 3.29Å; I122-Y124 HydrophobicContact CB-CD2 4.45Å; I122-Y124 HydrophobicContact CB-CE2 4.09Å; I122-Y124 HydrophobicContact CG2-CD2 4.23Å; I122-Y124 HydrophobicContact CG2-CE1 4.41Å; I122-Y124 HydrophobicContact CG2-CE2 3.98Å; I122-Y124 VanDerWaalsContact O-CD2 3.23Å; I122-Y124 WeakPolarHBondContact O-CD2 3.24Å; I122-Y124 PolarHBondContact O-N 2.86Å | ||
| 125 | N | 27.4 | Very low | 27.3 | Very low | 104 Ų | 104 | 142.5 Ų | 142.5 | 56% | 0.556 | 72% | 0.723 | S | S | * | * | trans | -89.5 | 122.8 | 155.8 | -88.6 | -36.6 | 0 | 0 | 0 | 108.2 | G123 Y127 Y281 | G123-N125 PolarHBondContact O-N 2.83Å; N125-Y127 PolarHBondContact O-N 3.4Å; N125-Y281 PolarHBondContact ND2-O 3.01Å | ||
| 126 | Y | 24.6 | Very low | 27.3 | Very low | 188 Ų | 188 | 145 Ų | 145 | 74% | 0.737 | 73% | 0.732 | S | S | * | * | trans | -52.7 | 110.3 | -177.5 | -91.1 | -104.6 | 0 | 0 | 0 | 112.4 | N128 | Y126-N128 WeakPolarHBondContact CD1-ND2 3.33Å; Y126-N128 PolarHBondContact O-N 2.85Å | ||
| 127 | Y | 26.6 | Very low | 27.2 | Very low | 172 Ų | 172 | 144.1 Ų | 144.1 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | trans | -85.5 | 81.3 | 156 | -83.6 | -82.5 | 0 | 0 | 0 | 108.8 | N125 | N125-Y127 PolarHBondContact O-N 3.4Š| ||
| 128 | N | 25.8 | Very low | 27.1 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | trans | -95.4 | 73.3 | 159 | -78.4 | -24.6 | 0 | 0 | 0 | 108.1 | Y126 | Y126-N128 WeakPolarHBondContact CD1-ND2 3.33Å; Y126-N128 PolarHBondContact O-N 2.85Å | ||
| 129 | K | 24.9 | Very low | 27.1 | Very low | 184 Ų | 184 | 147.6 Ų | 147.6 | 80% | 0.8 | 74% | 0.739 | S | S | * | * | trans | -101.3 | 102.2 | 159.8 | -155.1 | 170.4 | -173 | 176.2 | 0 | 105.5 | V131 | K129-V131 PolarHBondContact O-N 3.22Š| ||
| 130 | A | 25.2 | Very low | 26.7 | Very low | 91 Ų | 91 | 144.7 Ų | 144.7 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | trans | -51.3 | 113.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | E132 | A130-E132 PolarHBondContact O-N 3.27Š| ||
| 131 | V | 26.8 | Very low | 26.6 | Very low | 123 Ų | 123 | 146 Ų | 146 | 75% | 0.745 | 74% | 0.742 | S | S | * | * | trans | -76 | 104.2 | 165.6 | 174 | 0 | 0 | 0 | 0 | 104.3 | K129 I133 | K129-V131 PolarHBondContact O-N 3.22Å; V131-I133 WeakPolarHBondContact O-CG1 3.42Å; V131-I133 PolarHBondContact O-N 2.92Å | ||
| 132 | E | 24.3 | Very low | 26.4 | Very low | 177 Ų | 177 | 146.5 Ų | 146.5 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | trans | -61.7 | 107.3 | 166.2 | -70.3 | 176.4 | 176.2 | 0 | 0 | 106.5 | A130 E134 | A130-E132 PolarHBondContact O-N 3.27Å; E132-E134 PolarHBondContact O-N 3Å | ||
| 133 | I | 24.9 | Very low | 26.4 | Very low | 154 Ų | 154 | 148.4 Ų | 148.4 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | -81.8 | 100.5 | 177.4 | -35.8 | 173.3 | 0 | 0 | 0 | 104.5 | V131 E135 | V131-I133 WeakPolarHBondContact O-CG1 3.42Å; V131-I133 PolarHBondContact O-N 2.92Å; I133-E135 PolarHBondContact O-N 3.14Å | ||
| 134 | E | 26.7 | Very low | 26.2 | Very low | 175 Ų | 175 | 154 Ų | 154 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -61.2 | 116.7 | 171.3 | -71.3 | -178.2 | 157.5 | 0 | 0 | 108.3 | E132 F136 | E132-E134 PolarHBondContact O-N 3Å; E134-F136 PolarHBondContact O-N 3.29Å | ||
| 135 | E | 25.4 | Very low | 26.4 | Very low | 186 Ų | 186 | 153.7 Ų | 153.7 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | -58 | 106.8 | 174.6 | -85 | 173.7 | 146.5 | 0 | 0 | 109.4 | I133 E137 | I133-E135 PolarHBondContact O-N 3.14Å; E135-E137 PolarHBondContact O-N 3.44Å; E135-E137 VanDerWaalsContact O-N 3.14Å | ||
| 136 | F | 26.5 | Very low | 26.4 | Very low | 205 Ų | 205 | 157.3 Ų | 157.3 | 90% | 0.899 | 80% | 0.801 | S | S | * | * | trans | -77.6 | 92.6 | 166.3 | -118.6 | -94.1 | 0 | 0 | 0 | 108.1 | E134 D138 | E134-F136 PolarHBondContact O-N 3.29Å; F136-D138 PolarHBondContact O-N 2.86Å | ||
| 137 | E | 24.2 | Very low | 26.3 | Very low | 162 Ų | 162 | 156.2 Ų | 156.2 | 76% | 0.757 | 81% | 0.807 | S | S | * | * | trans | -66.5 | 117.7 | 156.2 | -69.2 | -176 | 151.4 | 0 | 0 | 107.8 | E135 | E135-E137 PolarHBondContact O-N 3.44Å; E135-E137 VanDerWaalsContact O-N 3.14Å | ||
| 138 | D | 24.1 | Very low | 26.3 | Very low | 150 Ų | 150 | 153.7 Ų | 153.7 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | trans | 164.2 | 151.2 | 132.5 | -84.4 | -31 | 0 | 0 | 0 | 113 | F136 | F136-D138 PolarHBondContact O-N 2.86Š| ||
| 139 | L | 31.1 | Very low | 26.3 | Very low | 163 Ų | 163 | 151.9 Ų | 151.9 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | trans | 91.5 | 66.1 | 166.7 | -55.6 | 167.5 | 0 | 0 | 0 | 117.4 | ||||
| 140 | N | 24.2 | Very low | 26.3 | Very low | 152 Ų | 152 | 151.6 Ų | 151.6 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | 20.9 | 103.3 | 110.9 | -147.6 | 9.1 | 0 | 0 | 0 | 116.5 | |||||
| 141 | N | 29.9 | Very low | 26.4 | Very low | 160 Ų | 160 | 153.6 Ų | 153.6 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | -154.4 | 102.3 | 144 | -97.8 | -24.5 | 0 | 0 | 0 | 108.9 | T143 | N141-T143 PolarHBondContact O-N 3.32Š| ||
| 142 | G | 24 | Very low | 26.2 | Very low | 73 Ų | 73 | 158.1 Ų | 158.1 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | trans | -67.2 | 119.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 143 | T | 30.8 | Very low | 26 | Very low | 129 Ų | 129 | 157.9 Ų | 157.9 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | trans | -130.6 | 104.9 | 154.2 | 37.5 | 0 | 0 | 0 | 0 | 108.3 | N141 H145 | N141-T143 PolarHBondContact O-N 3.32Å; T143-H145 PolarHBondContact O-N 2.91Å; T143-H145 VanDerWaalsContact O-N 3.15Å | ||
| 144 | N | 25.8 | Very low | 25.9 | Very low | 162 Ų | 162 | 161.4 Ų | 161.4 | 87% | 0.866 | 83% | 0.825 | S | S | * | * | trans | -51.3 | 108.7 | 167 | -81.1 | -59.4 | 0 | 0 | 0 | 110.4 | ||||
| 145 | H | 32.3 | Very low | 25.7 | Very low | 178 Ų | 178 | 159.5 Ų | 159.5 | 82% | 0.824 | 83% | 0.825 | S | S | * | * | trans | -136.5 | 95 | 152.8 | -90.9 | -67 | 0 | 0 | 0 | 109.4 | T143 L147 | T143-H145 PolarHBondContact O-N 2.91Å; T143-H145 VanDerWaalsContact O-N 3.15Å; H145-L147 PolarHBondContact O-N 2.68Å | ||
| 146 | Q | 26.2 | Very low | 25.6 | Very low | 180 Ų | 180 | 157.5 Ų | 157.5 | 84% | 0.841 | 82% | 0.819 | S | S | * | * | trans | 9.6 | 105.2 | 150.5 | -143.3 | 102.2 | -7.2 | 0 | 0 | 115.9 | P148 | Q146-P148 WeakPolarHBondContact O-CD 3.35Š| ||
| 147 | L | 22.8 | Very low | 25.6 | Very low | 165 Ų | 165 | 152.6 Ų | 152.6 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -57.5 | 125.8 | 163.9 | -102.6 | 79.3 | 0 | 0 | 0 | 110.1 | H145 S149 | H145-L147 PolarHBondContact O-N 2.68Å; L147-S149 PolarHBondContact O-N 2.88Å | ||
| 148 | P | 26.5 | Very low | 25.6 | Very low | 119 Ų | 119 | 153.6 Ų | 153.6 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | -73.4 | 125.4 | 161.2 | -8.7 | 26.2 | 0 | 0 | 0 | 108.8 | Q146 E150 | Q146-P148 WeakPolarHBondContact O-CD 3.35Å; P148-E150 PolarHBondContact O-N 3.18Å | ||
| 149 | S | 26.5 | Very low | 25.7 | Very low | 101 Ų | 101 | 154.9 Ų | 154.9 | 71% | 0.706 | 82% | 0.819 | S | S | * | * | trans | -40.7 | 127.1 | 175.1 | 48.2 | 0 | 0 | 0 | 0 | 115.1 | L147 T151 | L147-S149 PolarHBondContact O-N 2.88Å; S149-T151 PolarHBondContact O-N 2.84Å; S149-T151 VanDerWaalsContact O-N 3.15Å | ||
| 150 | E | 24.9 | Very low | 25.3 | Very low | 178 Ų | 178 | 157.8 Ų | 157.8 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | 4.3 | 92.4 | 144.4 | -61.7 | -177.6 | 158.4 | 0 | 0 | 116 | P148 R152 | P148-E150 PolarHBondContact O-N 3.18Å; E150-R152 PolarHBondContact O-N 2.9Å | ||
| 151 | T | 25.9 | Very low | 25.3 | Very low | 133 Ų | 133 | 160.4 Ų | 160.4 | 82% | 0.816 | 82% | 0.823 | S | S | * | * | trans | -95 | 87.7 | 160.7 | -44.5 | 0 | 0 | 0 | 0 | 107.7 | S149 L153 | S149-T151 PolarHBondContact O-N 2.84Å; S149-T151 VanDerWaalsContact O-N 3.15Å; T151-L153 PolarHBondContact O-N 3.33Å | ||
| 152 | R | 23.3 | Very low | 25 | Very low | 218 Ų | 218 | 160.7 Ų | 160.7 | 82% | 0.823 | 82% | 0.823 | S | S | * | * | trans | -49.3 | 111.3 | 171.7 | -93 | 174.1 | 145.3 | 143.1 | -6.9 | 109.6 | E150 R154 | E150-R152 PolarHBondContact O-N 2.9Å; R152-R154 PolarHBondContact O-N 3.48Å | ||
| 153 | L | 20.7 | Very low | 25 | Very low | 172 Ų | 172 | 162.7 Ų | 162.7 | 90% | 0.901 | 82% | 0.82 | S | S | * | * | trans | -58.4 | 104.1 | 168.2 | -70.3 | 165.4 | 0 | 0 | 0 | 108 | T151 T155 | T151-L153 PolarHBondContact O-N 3.33Å; L153-T155 PolarHBondContact O-N 2.88Å | ||
| 154 | R | 22.4 | Very low | 24.8 | Very low | 228 Ų | 228 | 165.2 Ų | 165.2 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | trans | -70.5 | 111.9 | 169.7 | -73.3 | -176 | -177.6 | -123 | 2.6 | 107.5 | R152 I156 | R152-R154 PolarHBondContact O-N 3.48Å; R154-I156 PolarHBondContact O-N 3.14Å; R154-I156 VanDerWaalsContact O-N 3.1Å | ||
| 155 | T | 22.4 | Very low | 24.9 | Very low | 135 Ų | 135 | 166 Ų | 166 | 83% | 0.828 | 82% | 0.821 | S | S | * | * | trans | -56.7 | 108.1 | 163.7 | -50.9 | 0 | 0 | 0 | 0 | 108.2 | L153 P157 | L153-T155 PolarHBondContact O-N 2.88Å; T155-P157 WeakPolarHBondContact O-CD 3.37Å | ||
| 156 | I | 23.5 | Very low | 24.6 | Very low | 145 Ų | 145 | 165.6 Ų | 165.6 | 74% | 0.744 | 82% | 0.82 | S | S | * | * | trans | -88.2 | 115.4 | 174.1 | -64.4 | 168.6 | 0 | 0 | 0 | 106.9 | R154 L158 | R154-I156 PolarHBondContact O-N 3.14Å; R154-I156 VanDerWaalsContact O-N 3.1Å; I156-L158 PolarHBondContact O-N 3.2Å | ||
| 157 | P | 26.7 | Very low | 24.9 | Very low | 102 Ų | 102 | 165.3 Ų | 165.3 | 66% | 0.662 | 82% | 0.818 | S | S | * | * | trans | -68.4 | 125.6 | 177.2 | -14.6 | 29.8 | 0 | 0 | 0 | 110 | T155 E159 | T155-P157 WeakPolarHBondContact O-CD 3.37Å; P157-E159 PolarHBondContact O-N 3.31Å | ||
| 158 | L | 23.3 | Very low | 25 | Very low | 183 Ų | 183 | 164.1 Ų | 164.1 | 96% | 0.958 | 81% | 0.811 | S | S | * | * | trans | -74.7 | 72.8 | 170.9 | -74.6 | 164.5 | 0 | 0 | 0 | 109.4 | I156 | I156-L158 PolarHBondContact O-N 3.2Š| ||
| 159 | E | 25.9 | Very low | 25 | Very low | 177 Ų | 177 | 164 Ų | 164 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | -106.6 | 133.9 | 158.3 | -73.6 | -165.5 | 157.6 | 0 | 0 | 108.5 | P157 | P157-E159 PolarHBondContact O-N 3.31Š| ||
| 160 | R | 24 | Very low | 25.3 | Very low | 223 Ų | 223 | 164.8 Ų | 164.8 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | trans | 95.7 | 73.9 | 159.6 | -149 | 179.1 | -157.2 | 158.5 | 4.5 | 117.5 | ||||
| 161 | F | 23.2 | Very low | 25.7 | Very low | 208 Ų | 208 | 163.6 Ų | 163.6 | 91% | 0.912 | 80% | 0.799 | S | S | * | * | trans | -141.9 | 78.9 | 137.3 | -80.3 | -76.5 | 0 | 0 | 0 | 108.9 | ||||
| 162 | I | 23.3 | Very low | 25.8 | Very low | 166 Ų | 166 | 164.2 Ų | 164.2 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | -106.8 | 95 | 160.9 | -58.1 | 172.9 | 0 | 0 | 0 | 105 | ||||
| 163 | T | 24.3 | Very low | 26 | Very low | 114 Ų | 114 | 160.4 Ų | 160.4 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | trans | -151.5 | 138.7 | 163.1 | 43.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 164 | E | 27 | Very low | 26.4 | Very low | 183 Ų | 183 | 161 Ų | 161 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | 97.4 | 80.6 | 171.1 | -56.2 | -176 | 175.7 | 0 | 0 | 115.8 | Q166 | E164-Q166 PolarHBondContact O-N 2.86Š| ||
| 165 | E | 27.4 | Very low | 26.8 | Very low | 177 Ų | 177 | 157.9 Ų | 157.9 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -47.6 | 90.4 | 157.5 | -62.6 | 167.8 | 147.1 | 0 | 0 | 111.6 | H167 | E165-H167 PolarHBondContact O-N 3.07Š| ||
| 166 | Q | 27.4 | Very low | 27 | Very low | 170 Ų | 170 | 160 Ų | 160 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | -86.5 | 96.4 | 154.3 | -68.2 | -151.1 | -24.6 | 0 | 0 | 108.2 | E164 I168 | E164-Q166 PolarHBondContact O-N 2.86Å; Q166-I168 PolarHBondContact O-N 3.38Å | ||
| 167 | H | 31.9 | Very low | 27 | Very low | 175 Ų | 175 | 157.8 Ų | 157.8 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | -52.3 | 85.1 | 165.2 | -89.1 | -92.2 | 0 | 0 | 0 | 110.5 | E165 | E165-H167 PolarHBondContact O-N 3.07Š| ||
| 168 | I | 25.5 | Very low | 26.9 | Very low | 140 Ų | 140 | 161.2 Ų | 161.2 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | trans | -87 | 109.7 | 161.4 | -61.4 | 173.1 | 0 | 0 | 0 | 105.8 | Q166 V170 | Q166-I168 PolarHBondContact O-N 3.38Å; I168-V170 WeakPolarHBondContact O-CG2 3.32Å; I168-V170 PolarHBondContact O-N 3.04Å | ||
| 169 | N | 26.5 | Very low | 27.1 | Very low | 117 Ų | 117 | 158.1 Ų | 158.1 | 63% | 0.626 | 78% | 0.778 | S | S | * | * | trans | -60.9 | 105.8 | -179.8 | -174.9 | -13.3 | 0 | 0 | 0 | 110.4 | E171 | N169-E171 PolarHBondContact O-N 3.45Å; N169-E171 VanDerWaalsContact OD1-CB 3.28Å; N169-E171 WeakPolarHBondContact OD1-CB 3.02Å; N169-E171 WeakPolarHBondContact OD1-CG 3.48Å; N169-E171 PolarHBondContact OD1-N 3.08Å | ||
| 170 | V | 31.7 | Very low | 26.9 | Very low | 116 Ų | 116 | 158.1 Ų | 158.1 | 70% | 0.703 | 78% | 0.781 | S | S | * | * | G | 310 helix | trans | -77.3 | 1 | -178.5 | -171.9 | 0 | 0 | 0 | 0 | 112.3 | I168 N172 | I168-V170 WeakPolarHBondContact O-CG2 3.32Å; I168-V170 PolarHBondContact O-N 3.04Å; V170-N172 PolarHBondContact O-N 3.47Å |
| 171 | E | 33.8 | Very low | 27 | Very low | 153 Ų | 153 | 157.9 Ų | 157.9 | 72% | 0.715 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -71.5 | -12.2 | -175.3 | -68.7 | -171.3 | 146.4 | 0 | 0 | 114.6 | N169 | N169-E171 PolarHBondContact O-N 3.45Å; N169-E171 VanDerWaalsContact OD1-CB 3.28Å; N169-E171 WeakPolarHBondContact OD1-CB 3.02Å; N169-E171 WeakPolarHBondContact OD1-CG 3.48Å; N169-E171 PolarHBondContact OD1-N 3.08Å |
| 172 | N | 28.1 | Very low | 27.3 | Very low | 146 Ų | 146 | 155.5 Ų | 155.5 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -97.6 | 3.1 | -178.9 | -96.7 | -26.4 | 0 | 0 | 0 | 116.7 | V170 | V170-N172 PolarHBondContact O-N 3.47Š|
| 173 | L | 26.9 | Very low | 27.5 | Very low | 138 Ų | 138 | 157.1 Ų | 157.1 | 72% | 0.723 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -107.6 | 0.1 | 178.1 | -76.6 | 165.3 | 0 | 0 | 0 | 114.8 | H175 | L173-H175 VanDerWaalsContact C-N 3.26Å; L173-H175 PolarHBondContact O-N 2.95Å |
| 174 | K | 29 | Very low | 27.7 | Very low | 184 Ų | 184 | 156.2 Ų | 156.2 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -1.1 | 177.9 | -111.4 | 179.2 | -178.6 | 178.9 | 0 | 115.2 | ||
| 175 | H | 30.3 | Very low | 27.8 | Very low | 164 Ų | 164 | 153.5 Ų | 153.5 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | 5.7 | -176.6 | -71.6 | -59 | 0 | 0 | 0 | 115.9 | L173 | L173-H175 VanDerWaalsContact C-N 3.26Å; L173-H175 PolarHBondContact O-N 2.95Å |
| 176 | Q | 26.9 | Very low | 28.1 | Very low | 178 Ų | 178 | 150.2 Ų | 150.2 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -119.7 | -0.2 | -177.7 | -86.6 | -177.7 | -6.9 | 0 | 0 | 117.1 | ||
| 177 | S | 24.1 | Very low | 28.4 | Very low | 100 Ų | 100 | 151 Ų | 151 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | trans | -103.5 | 69 | 173.4 | 66.9 | 0 | 0 | 0 | 0 | 111 | P179 | S177-P179 WeakPolarHBondContact O-CD 3.32Š| ||
| 178 | Q | 24.4 | Very low | 28.5 | Very low | 174 Ų | 174 | 145.9 Ų | 145.9 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | trans | -77.2 | 116.4 | 158.7 | -79.5 | -169 | -5.4 | 0 | 0 | 107.4 | M180 | Q178-M180 PolarHBondContact O-N 3.42Å; Q178-M180 VanDerWaalsContact O-N 3.17Å | ||
| 179 | P | 27.7 | Very low | 28.8 | Very low | 117 Ų | 117 | 144.1 Ų | 144.1 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | trans | -62 | 121.9 | 176.3 | 25.4 | -30.6 | 0 | 0 | 0 | 107.4 | S177 R181 | S177-P179 WeakPolarHBondContact O-CD 3.32Å; P179-R181 PolarHBondContact O-N 3.23Å | ||
| 180 | M | 22.2 | Very low | 29.4 | Very low | 177 Ų | 177 | 143 Ų | 143 | 87% | 0.872 | 74% | 0.735 | S | S | * | * | trans | -52.5 | 111.7 | 174.9 | -81.5 | 175.2 | 64.5 | 0 | 0 | 107.8 | Q178 N182 | Q178-M180 PolarHBondContact O-N 3.42Å; Q178-M180 VanDerWaalsContact O-N 3.17Å; M180-N182 PolarHBondContact O-N 3.45Å | ||
| 181 | R | 26.6 | Very low | 29.5 | Very low | 218 Ų | 218 | 145.8 Ų | 145.8 | 82% | 0.823 | 74% | 0.738 | S | S | * | * | trans | -56.7 | 114 | 167.9 | -97.1 | 178 | -106.2 | 176.9 | -5.2 | 106 | P179 Y183 | P179-R181 PolarHBondContact O-N 3.23Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 3.08Å | ||
| 182 | N | 28.9 | Very low | 29.5 | Very low | 159 Ų | 159 | 145.7 Ų | 145.7 | 85% | 0.85 | 74% | 0.739 | S | S | * | * | trans | -54.1 | 98.4 | 168.1 | -68.6 | -21.5 | 0 | 0 | 0 | 107.4 | M180 C184 | M180-N182 PolarHBondContact O-N 3.45Å; N182-C184 PolarHBondContact O-N 3.07Å | ||
| 183 | Y | 28.2 | Very low | 29.6 | Very low | 200 Ų | 200 | 145.2 Ų | 145.2 | 78% | 0.784 | 74% | 0.736 | S | S | * | * | trans | -66.1 | 112.8 | 165.8 | -112.6 | -103 | 0 | 0 | 0 | 104.8 | R181 D185 | R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 3.08Å; Y183-D185 VanDerWaalsContact C-N 3.32Å; Y183-D185 PolarHBondContact O-N 3.28Å | ||
| 184 | C | 27.5 | Very low | 29.8 | Very low | 95 Ų | 95 | 145.7 Ų | 145.7 | 64% | 0.642 | 74% | 0.738 | S | S | * | * | trans | -69.4 | 101.2 | 171.1 | 69.6 | 0 | 0 | 0 | 0 | 106.7 | N182 | N182-C184 PolarHBondContact O-N 3.07Š| ||
| 185 | D | 28.5 | Very low | 30.1 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 67% | 0.674 | 74% | 0.735 | S | S | * | * | trans | -63.5 | 138.3 | 174.4 | -67.3 | -39.1 | 0 | 0 | 0 | 109.2 | Y183 | Y183-D185 VanDerWaalsContact C-N 3.32Å; Y183-D185 PolarHBondContact O-N 3.28Å | ||
| 186 | S | 33.9 | Very low | 30.5 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -6.3 | 126.7 | 169.1 | 53.1 | 0 | 0 | 0 | 0 | 116.8 | ||
| 187 | E | 33.7 | Very low | 31 | Very low | 186 Ų | 186 | 138.7 Ų | 138.7 | 87% | 0.869 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89.2 | 1.2 | 166.4 | -50.5 | -173 | 170.6 | 0 | 0 | 118.1 | L189 | E187-L189 PolarHBondContact O-N 3.1Š|
| 188 | S | 34.5 | Very low | 31.8 | Very low | 69 Ų | 69 | 142.1 Ų | 142.1 | 48% | 0.483 | 74% | 0.744 | S | S | . | * | trans | -74 | 83.2 | 168.3 | 69.8 | 0 | 0 | 0 | 0 | 110.5 | V190 | S188-V190 PolarHBondContact O-N 3.23Š| ||
| 189 | L | 31.5 | Very low | 32.5 | Very low | 102 Ų | 102 | 139.9 Ų | 139.9 | 53% | 0.534 | 74% | 0.737 | S | S | . | * | trans | -63.1 | 98.5 | 165.7 | -72.3 | 167.7 | 0 | 0 | 0 | 108.6 | E187 K191 W206 | E187-L189 PolarHBondContact O-N 3.1Å; L189-K191 PolarHBondContact O-N 3.06Å; L189-W206 HydrophobicContact CB-CD2 4.14Å; L189-W206 HydrophobicContact CB-CE3 3.45Å; L189-W206 VanDerWaalsContact CB-CE3 3.45Å; L189-W206 HydrophobicContact CB-CH2 3.68Å; L189-W206 HydrophobicContact CB-CZ2 4.37Å; L189-W206 HydrophobicContact CB-CZ3 3.22Å; L189-W206 HydrophobicContact CD1-CD2 3.68Å; L189-W206 HydrophobicContact CD1-CE3 3.91Å; L189-W206 HydrophobicContact CD1-CG 4.2Å; L189-W206 HydrophobicContact CD1-CH2 3.96Å; L189-W206 HydrophobicContact CD1-CZ2 3.79Å; L189-W206 HydrophobicContact CD1-CZ3 4.07Å; L189-W206 HydrophobicContact CD2-CB 3.95Å; L189-W206 HydrophobicContact CD2-CD2 3.83Å; L189-W206 HydrophobicContact CD2-CE3 3.7Å; L189-W206 HydrophobicContact CD2-CG 4Å; L189-W206 HydrophobicContact CD2-CZ3 4.38Å; L189-W206 HydrophobicContact CG-CD2 4.11Å; L189-W206 HydrophobicContact CG-CE3 3.89Å; L189-W206 HydrophobicContact CG-CH2 4.41Å; L189-W206 HydrophobicContact CG-CZ3 4.08Å | ||
| 190 | V | 38.9 | Very low | 33.3 | Very low | 95 Ų | 95 | 142 Ų | 142 | 58% | 0.576 | 74% | 0.741 | S | S | * | * | trans | -70.9 | 113.5 | -178 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | S188 M192 | S188-V190 PolarHBondContact O-N 3.23Å; V190-M192 VanDerWaalsContact C-N 3.31Å; V190-M192 HydrophobicContact CG1-CG 4.18Å; V190-M192 HydrophobicContact CG1-SD 4.41Å; V190-M192 PolarHBondContact O-N 3.2Å | ||
| 191 | K | 34.5 | Very low | 34.3 | Very low | 173 Ų | 173 | 141.4 Ų | 141.4 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | trans | -73.9 | 85 | 173.5 | -158.4 | 177.1 | -170.7 | 178.5 | 0 | 108.7 | L189 N193 | L189-K191 PolarHBondContact O-N 3.06Å; K191-N193 PolarHBondContact O-N 3.48Å | ||
| 192 | M | 32.5 | Very low | 34.8 | Very low | 151 Ų | 151 | 136 Ų | 136 | 74% | 0.744 | 72% | 0.724 | S | S | * | * | trans | -68.3 | 117 | 173.9 | -69.9 | -85.2 | -84.7 | 0 | 0 | 108.6 | V190 I194 | V190-M192 VanDerWaalsContact C-N 3.31Å; V190-M192 HydrophobicContact CG1-CG 4.18Å; V190-M192 HydrophobicContact CG1-SD 4.41Å; V190-M192 PolarHBondContact O-N 3.2Å; M192-I194 VanDerWaalsContact C-N 3.3Å; M192-I194 HydrophobicContact CB-CG1 4.43Å; M192-I194 PolarHBondContact O-N 2.99Å | ||
| 193 | N | 30.8 | Very low | 35.5 | Very low | 136 Ų | 136 | 138.4 Ų | 138.4 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | trans | -68.7 | 89.8 | 167.4 | -91.3 | -11.8 | 0 | 0 | 0 | 108 | K191 V195 | K191-N193 PolarHBondContact O-N 3.48Å; N193-V195 PolarHBondContact O-N 3.39Å | ||
| 194 | I | 31.8 | Very low | 35.9 | Very low | 148 Ų | 148 | 134.7 Ų | 134.7 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | trans | -76.4 | 120.7 | 171.2 | -58.8 | 175.9 | 0 | 0 | 0 | 107.5 | M192 S196 | M192-I194 VanDerWaalsContact C-N 3.3Å; M192-I194 HydrophobicContact CB-CG1 4.43Å; M192-I194 PolarHBondContact O-N 2.99Å; I194-S196 PolarHBondContact O-N 3.03Å | ||
| 195 | V | 35.8 | Very low | 36.6 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | trans | -58 | 124.4 | 173.1 | 172.3 | 0 | 0 | 0 | 0 | 109.2 | N193 D197 | N193-V195 PolarHBondContact O-N 3.39Å; V195-D197 PolarHBondContact O-N 3.46Å | ||
| 196 | S | 38 | Very low | 37 | Very low | 106 Ų | 106 | 140.6 Ų | 140.6 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | trans | 23.8 | 87.6 | 154.8 | -43.6 | 0 | 0 | 0 | 0 | 117.6 | I194 | I194-S196 PolarHBondContact O-N 3.03Š| ||
| 197 | D | 37 | Very low | 37.3 | Very low | 154 Ų | 154 | 144.7 Ų | 144.7 | 82% | 0.824 | 72% | 0.718 | S | S | * | * | trans | -133 | 126.4 | 152 | -113.5 | -28.6 | 0 | 0 | 0 | 107.8 | V195 N199 | V195-D197 PolarHBondContact O-N 3.46Å; D197-N199 PolarHBondContact O-N 2.91Å | ||
| 198 | D | 40.2 | Very low | 37.7 | Very low | 171 Ų | 171 | 141 Ų | 141 | 91% | 0.914 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -71.6 | 49 | -163.2 | -73.4 | -42.5 | 0 | 0 | 0 | 114.7 | ||
| 199 | N | 40.8 | Very low | 37.6 | Very low | 127 Ų | 127 | 141 Ų | 141 | 68% | 0.679 | 71% | 0.707 | S | S | * | * | trans | -132.5 | 94.2 | 173.6 | -138.9 | -15.8 | 0 | 0 | 0 | 111 | D197 E201 | D197-N199 PolarHBondContact O-N 2.91Å; N199-E201 PolarHBondContact O-N 3.23Å | ||
| 200 | L | 43.8 | Very low | 38.2 | Very low | 161 Ų | 161 | 141 Ų | 141 | 84% | 0.843 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -11.2 | -167.1 | -175.1 | 59.9 | 0 | 0 | 0 | 115.1 | ||
| 201 | E | 43 | Very low | 38.4 | Very low | 166 Ų | 166 | 141.6 Ų | 141.6 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -10.2 | -167.9 | -71.7 | 168.7 | 163.3 | 0 | 0 | 115.2 | N199 | N199-E201 PolarHBondContact O-N 3.23Š|
| 202 | D | 38.1 | Very low | 38.6 | Very low | 105 Ų | 105 | 140.2 Ų | 140.2 | 56% | 0.561 | 72% | 0.722 | S | S | * | * | trans | -97.6 | 8 | -172.7 | -142.3 | 12.3 | 0 | 0 | 0 | 114.8 | T204 | D202-T204 VanDerWaalsContact C-N 3.28Å; D202-T204 PolarHBondContact O-N 3.01Å | ||
| 203 | R | 42 | Very low | 38.7 | Very low | 208 Ų | 208 | 140.1 Ų | 140.1 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -9.1 | -178.1 | -99 | -178.1 | 136.9 | -174 | -2.3 | 115.5 | ||
| 204 | T | 37.5 | Very low | 38.8 | Very low | 123 Ų | 123 | 136.5 Ų | 136.5 | 76% | 0.755 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | 0.1 | -175.4 | 30.7 | 0 | 0 | 0 | 0 | 114.5 | D202 W206 | D202-T204 VanDerWaalsContact C-N 3.28Å; D202-T204 PolarHBondContact O-N 3.01Å; T204-W206 PolarHBondContact O-N 2.76Å |
| 205 | R | 41 | Very low | 39.1 | Very low | 183 Ų | 183 | 135.7 Ų | 135.7 | 69% | 0.691 | 73% | 0.726 | S | S | * | * | trans | -91.8 | 95.2 | -179.8 | -155.4 | 169.7 | -160 | 145.7 | 3.9 | 111.7 | R207 | R205-R207 PolarHBondContact O-N 3.4Å; R205-R207 VanDerWaalsContact O-N 3.09Å | ||
| 206 | W | 38.8 | Very low | 39 | Very low | 162 Ų | 162 | 139.6 Ų | 139.6 | 61% | 0.614 | 73% | 0.733 | S | S | * | * | trans | -53.9 | 113.6 | 162.5 | -57.7 | 107.8 | 0 | 0 | 0 | 109.1 | L189 T204 | L189-W206 HydrophobicContact CB-CD2 4.14Å; L189-W206 HydrophobicContact CB-CE3 3.45Å; L189-W206 VanDerWaalsContact CB-CE3 3.45Å; L189-W206 HydrophobicContact CB-CH2 3.68Å; L189-W206 HydrophobicContact CB-CZ2 4.37Å; L189-W206 HydrophobicContact CB-CZ3 3.22Å; L189-W206 HydrophobicContact CD1-CD2 3.68Å; L189-W206 HydrophobicContact CD1-CE3 3.91Å; L189-W206 HydrophobicContact CD1-CG 4.2Å; L189-W206 HydrophobicContact CD1-CH2 3.96Å; L189-W206 HydrophobicContact CD1-CZ2 3.79Å; L189-W206 HydrophobicContact CD1-CZ3 4.07Å; L189-W206 HydrophobicContact CD2-CB 3.95Å; L189-W206 HydrophobicContact CD2-CD2 3.83Å; L189-W206 HydrophobicContact CD2-CE3 3.7Å; L189-W206 HydrophobicContact CD2-CG 4Å; L189-W206 HydrophobicContact CD2-CZ3 4.38Å; L189-W206 HydrophobicContact CG-CD2 4.11Å; L189-W206 HydrophobicContact CG-CE3 3.89Å; L189-W206 HydrophobicContact CG-CH2 4.41Å; L189-W206 HydrophobicContact CG-CZ3 4.08Å; T204-W206 PolarHBondContact O-N 2.76Å | ||
| 207 | R | 39 | Very low | 38.7 | Very low | 192 Ų | 192 | 142.4 Ų | 142.4 | 73% | 0.725 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 137 | 172.6 | -64.7 | -159.3 | -171.3 | -139.4 | 5.5 | 109.7 | R205 | R205-R207 PolarHBondContact O-N 3.4Å; R205-R207 VanDerWaalsContact O-N 3.09Å |
| 208 | T | 41.5 | Very low | 38.7 | Very low | 108 Ų | 108 | 143 Ų | 143 | 66% | 0.663 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 137.7 | 173.9 | -44.1 | 0 | 0 | 0 | 0 | 110.3 | L212 | T208-L212 HydrophobicContact CG2-CD1 3.98Š|
| 209 | C | 32.4 | Very low | 38.4 | Very low | 69 Ų | 69 | 144.4 Ų | 144.4 | 47% | 0.466 | 74% | 0.737 | S | S | . | * | P | Polyproline II helix | trans | -48.1 | 127.8 | -179.2 | -105.5 | 0 | 0 | 0 | 0 | 111.7 | S211 L212 | C209-S211 PolarHBondContact O-N 3.43Å; C209-L212 PolarHBondContact O-N 3.42Å |
| 210 | P | 44.5 | Very low | 37.8 | Very low | 102 Ų | 102 | 145.4 Ų | 145.4 | 66% | 0.662 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -57.2 | -12.6 | -179.8 | -28.5 | 35.6 | 0 | 0 | 0 | 115.6 | L212 I213 | P210-L212 PolarHBondContact O-N 2.94Å; P210-I213 PolarHBondContact O-N 2.77Å |
| 211 | S | 43.5 | Very low | 37.1 | Very low | 109 Ų | 109 | 145.5 Ų | 145.5 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -58.5 | -11.7 | 173.7 | -17.8 | 0 | 0 | 0 | 0 | 114 | C209 | C209-S211 PolarHBondContact O-N 3.43Š|
| 212 | L | 39.1 | Very low | 36.3 | Very low | 144 Ų | 144 | 148.1 Ų | 148.1 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -99.5 | -1.5 | 173.1 | -66.6 | 174.5 | 0 | 0 | 0 | 114.3 | T208 C209 P210 | T208-L212 HydrophobicContact CG2-CD1 3.98Å; C209-L212 PolarHBondContact O-N 3.42Å; P210-L212 PolarHBondContact O-N 2.94Å |
| 213 | I | 34.6 | Very low | 35.9 | Very low | 148 Ų | 148 | 151 Ų | 151 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | trans | -110.8 | 72.6 | 179.5 | -54 | 170.3 | 0 | 0 | 0 | 108.1 | P210 | P210-I213 PolarHBondContact O-N 2.77Š| ||
| 214 | G | 32.6 | Very low | 35.4 | Very low | 61 Ų | 61 | 147.7 Ų | 147.7 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | trans | -136.1 | 117.2 | 175 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 215 | S | 37 | Very low | 35.2 | Very low | 130 Ų | 130 | 146.9 Ų | 146.9 | 91% | 0.909 | 76% | 0.756 | S | S | * | * | trans | 81.7 | 63.9 | 153.9 | -44.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 216 | K | 34.4 | Very low | 34.9 | Very low | 203 Ų | 203 | 144.6 Ų | 144.6 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | trans | -87.4 | 102.6 | 144.1 | -89.9 | -178.1 | 176.7 | 175 | 0 | 108.1 | ||||
| 217 | M | 32.7 | Very low | 34.7 | Very low | 165 Ų | 165 | 141.6 Ų | 141.6 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | 155.6 | 83.9 | 125.4 | 63.2 | -159.2 | 154.5 | 0 | 0 | 113.1 | |||||
| 218 | D | 36 | Very low | 34.6 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | -126.8 | 100 | 146.8 | -81.4 | -45.8 | 0 | 0 | 0 | 107.4 | N220 | D218-N220 VanDerWaalsContact C-N 3.27Å; D218-N220 PolarHBondContact O-N 3.3Å | ||
| 219 | K | 33.5 | Very low | 34.5 | Very low | 199 Ų | 199 | 140.9 Ų | 140.9 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | trans | -81 | 72.9 | -179.5 | -64.4 | 179.7 | -176.7 | 177.2 | 0 | 109.2 | ||||
| 220 | N | 28.3 | Very low | 34.6 | Very low | 148 Ų | 148 | 143.6 Ų | 143.6 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -172.3 | 108.5 | 159.3 | -105.6 | -16.8 | 0 | 0 | 0 | 108.4 | D218 | D218-N220 VanDerWaalsContact C-N 3.27Å; D218-N220 PolarHBondContact O-N 3.3Å | ||
| 221 | I | 28.7 | Very low | 34.5 | Very low | 164 Ų | 164 | 145.9 Ų | 145.9 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | trans | 145.3 | 65.7 | 164.3 | -69.9 | 149.9 | 0 | 0 | 0 | 104.4 | ||||
| 222 | Y | 27.5 | Very low | 34.6 | Very low | 221 Ų | 221 | 146.3 Ų | 146.3 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | -126.3 | 99 | 167.9 | -144.1 | -88 | 0 | 0 | 0 | 102.9 | ||||
| 223 | M | 29.3 | Very low | 34.9 | Very low | 164 Ų | 164 | 145.1 Ų | 145.1 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 160.7 | 72 | 158.2 | -86 | -40.6 | 170.1 | 0 | 0 | 109.5 | ||
| 224 | N | 31 | Very low | 35.7 | Very low | 140 Ų | 140 | 148.7 Ų | 148.7 | 75% | 0.749 | 80% | 0.803 | S | S | * | * | trans | 161.6 | 73.9 | 156.4 | 46.7 | -5.2 | 0 | 0 | 0 | 112.5 | ||||
| 225 | S | 34.1 | Very low | 36.8 | Very low | 106 Ų | 106 | 153.9 Ų | 153.9 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | trans | -159.7 | 89.3 | 153.8 | -77.2 | 0 | 0 | 0 | 0 | 109.6 | T227 | S225-T227 PolarHBondContact O-N 3.31Š| ||
| 226 | S | 34.5 | Very low | 37.9 | Very low | 135 Ų | 135 | 152.4 Ų | 152.4 | 94% | 0.944 | 80% | 0.8 | S | S | * | * | trans | -71.1 | 49.2 | 156.7 | -52.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 227 | T | 34.9 | Very low | 39.3 | Very low | 98 Ų | 98 | 149.9 Ų | 149.9 | 60% | 0.601 | 80% | 0.795 | S | S | * | * | trans | -102.4 | 93.1 | 178.2 | -46.4 | 0 | 0 | 0 | 0 | 105.8 | S225 M229 | S225-T227 PolarHBondContact O-N 3.31Å; T227-M229 PolarHBondContact O-N 3.46Å | ||
| 228 | S | 36.3 | Very low | 41.5 | Very low | 108 Ų | 108 | 150.3 Ų | 150.3 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -49.4 | 112.2 | 171.9 | -168.3 | 0 | 0 | 0 | 0 | 108.4 | T230 | S228-T230 PolarHBondContact O-N 2.9Š| ||
| 229 | M | 38.8 | Very low | 43.8 | Very low | 178 Ų | 178 | 147.3 Ų | 147.3 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | -69.7 | 95.8 | 178.1 | -69.2 | -72.4 | -161.7 | 0 | 0 | 107.5 | T227 L231 | T227-M229 PolarHBondContact O-N 3.46Å; M229-L231 PolarHBondContact O-N 3.48Å; M229-L231 VanDerWaalsContact O-N 3.1Å | ||
| 230 | T | 36 | Very low | 46.4 | Very low | 125 Ų | 125 | 140.8 Ų | 140.8 | 77% | 0.767 | 75% | 0.754 | S | S | * | * | trans | -58 | 112.9 | 169.3 | -22.9 | 0 | 0 | 0 | 0 | 107.5 | S228 | S228-T230 PolarHBondContact O-N 2.9Š| ||
| 231 | L | 41.8 | Very low | 49.5 | Very low | 151 Ų | 151 | 142.3 Ų | 142.3 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | trans | -48.5 | 137.5 | 166.7 | -87 | 149.8 | 0 | 0 | 0 | 108.1 | M229 T233 | M229-L231 PolarHBondContact O-N 3.48Å; M229-L231 VanDerWaalsContact O-N 3.1Å; L231-T233 PolarHBondContact O-N 2.82Å | ||
| 232 | P | 46.4 | Very low | 52.7 | Low | 118 Ų | 118 | 134.6 Ų | 134.6 | 77% | 0.766 | 71% | 0.709 | S | S | * | * | trans | -52 | 116.7 | -179 | 9.7 | -15.2 | 0 | 0 | 0 | 107.5 | R234 | P232-R234 PolarHBondContact O-N 2.92Š| ||
| 233 | T | 44.7 | Very low | 55.7 | Low | 118 Ų | 118 | 128.4 Ų | 128.4 | 72% | 0.724 | 69% | 0.688 | S | S | * | * | trans | -52.5 | 108 | 176.1 | 36.2 | 0 | 0 | 0 | 0 | 105.7 | L231 E235 | L231-T233 PolarHBondContact O-N 2.82Å; T233-E235 VanDerWaalsContact C-N 3.28Å; T233-E235 PolarHBondContact O-N 3.41Å | ||
| 234 | R | 51.3 | Low | 58.7 | Low | 223 Ų | 223 | 123.2 Ų | 123.2 | 84% | 0.842 | 67% | 0.671 | S | S | * | * | trans | -39.4 | 98 | 177 | -177.5 | 179.5 | 173.9 | 148.2 | -0.7 | 107.1 | P232 S236 | P232-R234 PolarHBondContact O-N 2.92Å; R234-S236 PolarHBondContact O-N 3.48Å | ||
| 235 | E | 56.3 | Low | 61.7 | Low | 171 Ų | 171 | 118.8 Ų | 118.8 | 80% | 0.799 | 65% | 0.651 | S | S | * | * | trans | -52.7 | 119.5 | 177.8 | -77.7 | 179.4 | 165.5 | 0 | 0 | 103.9 | T233 I237 | T233-E235 VanDerWaalsContact C-N 3.28Å; T233-E235 PolarHBondContact O-N 3.41Å; E235-I237 PolarHBondContact O-N 3.36Å | ||
| 236 | S | 60.3 | Low | 64.5 | Low | 99 Ų | 99 | 117.2 Ų | 117.2 | 69% | 0.692 | 64% | 0.644 | S | S | * | * | trans | -64.5 | 89.8 | -170.5 | 47.9 | 0 | 0 | 0 | 0 | 107.3 | R234 E238 | R234-S236 PolarHBondContact O-N 3.48Å; S236-E238 VanDerWaalsContact C-N 3.29Å; S236-E238 PolarHBondContact O-N 3.3Å | ||
| 237 | I | 63.7 | Low | 67.3 | Low | 149 Ų | 149 | 116.8 Ų | 116.8 | 76% | 0.764 | 63% | 0.627 | S | S | * | * | trans | -57.6 | 102.6 | 171.1 | -62.1 | 172.7 | 0 | 0 | 0 | 104.4 | E235 Q239 | E235-I237 PolarHBondContact O-N 3.36Å; I237-Q239 PolarHBondContact O-N 3.19Å | ||
| 238 | E | 77.5 | Confident | 70 | Confident | 175 Ų | 175 | 114.5 Ų | 114.5 | 82% | 0.818 | 61% | 0.613 | S | S | * | * | trans | -65.5 | 103.2 | 179.6 | -67.4 | -170.3 | 169.8 | 0 | 0 | 107.2 | S236 | S236-E238 VanDerWaalsContact C-N 3.29Å; S236-E238 PolarHBondContact O-N 3.3Å | ||
| 239 | Q | 84.5 | Confident | 72.7 | Confident | 103 Ų | 103 | 109.6 Ų | 109.6 | 48% | 0.481 | 58% | 0.578 | S | S | . | * | trans | -65.7 | 130.4 | 178.6 | -68.9 | 179.9 | -20.6 | 0 | 0 | 109 | I237 R241 V248 | I237-Q239 PolarHBondContact O-N 3.19Å; Q239-R241 PolarHBondContact O-N 3.43Å; Q239-V248 HydrophobicContact CB-CB 4.38Å; Q239-V248 HydrophobicContact CB-CG1 4.04Å | ||
| 240 | P | 89 | Confident | 75.2 | Confident | 63 Ų | 63 | 108 Ų | 108 | 41% | 0.409 | 56% | 0.563 | S | S | . | * | trans | -61.7 | 135.7 | 179.4 | 25.5 | -33.2 | 0 | 0 | 0 | 110 | V249 V261 | P240-V249 PolarHBondContact O-N 3.31Å; P240-V261 HydrophobicContact CB-CB 4.33Å; P240-V261 HydrophobicContact CB-CG1 4.34Å; P240-V261 HydrophobicContact CB-CG2 3.98Å | ||
| 241 | R | 93.4 | Very high | 77.6 | Confident | 179 Ų | 179 | 107.8 Ų | 107.8 | 68% | 0.675 | 56% | 0.564 | S | S | * | * | B | Isolated β-bridge | trans | -106.1 | 144.5 | 178.8 | -64.6 | -179.1 | -173.1 | 152.7 | 2.9 | 111.1 | Q239 H243 E247 V248 | Q239-R241 PolarHBondContact O-N 3.43Å; R241-H243 PolarHBondContact O-N 3.21Å; R241-E247 CarbonylContact C-O 3.5Å; R241-E247 VanDerWaalsContact CA-O 3.29Å; R241-E247 WeakPolarHBondContact CA-O 3.41Å; R241-V248 HydrophobicContact CG-CG1 4.18Å |
| 242 | C | 95.4 | Very high | 79.9 | Confident | 2 Ų | 2 | 107.6 Ų | 107.6 | 1% | 0.014 | 56% | 0.563 | C | S | . | * | B | Isolated β-bridge | trans | -65.5 | 128.1 | 177.3 | -178.8 | 0 | 0 | 0 | 0 | 109.3 | A244 C245 A246 E247 V249 V261 H263 C266 | C242-A244 PolarHBondContact O-N 2.95Å; C242-A244 PolarHBondContact SG-N 3.22Å; C242-C245 WeakPolarHBondContact CB-SG 3.29Å; C242-A246 WeakPolarHBondContact O-CA 3.34Å; C242-A246 PolarHBondContact O-N 3.02Å; C242-E247 PolarHBondContact N-O 3.37Å; C242-V249 HydrophobicContact CB-CG2 3.45Å; C242-V249 VanDerWaalsContact CB-CG2 3.45Å; C242-V249 VanDerWaalsContact N-CG2 3.31Å; C242-V261 CarbonylContact C-O 3.46Å; C242-V261 VanDerWaalsContact CA-O 3.27Å; C242-V261 WeakPolarHBondContact CA-O 3.49Å; C242-H263 VanDerWaalsContact CB-CE1 3.48Å; C242-H263 WeakPolarHBondContact CB-CE1 3.46Å; C242-H263 VanDerWaalsContact CB-ND1 3.29Å; C242-H263 WeakPolarHBondContact CB-ND1 3.47Å; C242-H263 PolarHBondContact SG-N 3.05Å; C242-H263 PolarHBondContact SG-ND1 2.76Å; C242-C266 VanDerWaalsContact SG-CB 3.59Å |
| 243 | H | 91 | Very high | 81.8 | Confident | 91 Ų | 91 | 106.5 Ų | 106.5 | 42% | 0.421 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -23.6 | 178.8 | -173 | 70.8 | 0 | 0 | 0 | 112.8 | R241 R260 V261 Y262 | R241-H243 PolarHBondContact O-N 3.21Å; H243-R260 HydrophobicContact CB-CB 4.32Å; H243-R260 PolarHBondContact CE1-NH1 3.39Å; H243-R260 PolarHBondContact NE2-NH1 3.23Å; H243-V261 PolarHBondContact N-O 3.2Å; H243-Y262 HydrophobicContact CB-CD1 4.21Å; H243-Y262 HydrophobicContact CB-CE1 3.67Å; H243-Y262 HydrophobicContact CB-CE2 4.26Å; H243-Y262 AromaticContact CD2-CZ 3.93Å; H243-Y262 PolarHBondContact CD2-OH 3.37Å; H243-Y262 VanDerWaalsContact CD2-OH 3.3Å |
| 244 | A | 91.8 | Very high | 83.9 | Confident | 56 Ų | 56 | 102.6 Ų | 102.6 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -38.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | C242 Y262 C266 | C242-A244 PolarHBondContact O-N 2.95Å; C242-A244 PolarHBondContact SG-N 3.22Å; A244-Y262 HydrophobicContact CB-CD1 3.88Å; A244-Y262 HydrophobicContact CB-CE1 4.1Å; A244-C266 HydrophobicContact CB-CB 4Å |
| 245 | C | 94.1 | Very high | 85.8 | Confident | 47 Ų | 47 | 93.2 Ų | 93.2 | 32% | 0.318 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -4.4 | 179.3 | 66.6 | 0 | 0 | 0 | 0 | 114.4 | C242 E247 H263 | C242-C245 WeakPolarHBondContact CB-SG 3.29Å; C245-E247 PolarHBondContact O-N 2.92Å; C245-H263 PolarHBondContact SG-CE1 3.14Å; C245-H263 PolarHBondContact SG-ND1 3.31Å |
| 246 | A | 91.8 | Very high | 87.4 | Confident | 72 Ų | 72 | 92 Ų | 92 | 60% | 0.595 | 49% | 0.488 | S | S | * | . | trans | 61.8 | 4.6 | -177 | 0 | 0 | 0 | 0 | 0 | 116 | C242 | C242-A246 WeakPolarHBondContact O-CA 3.34Å; C242-A246 PolarHBondContact O-N 3.02Å | ||
| 247 | E | 93.7 | Very high | 88.5 | Confident | 126 Ų | 126 | 87.5 Ų | 87.5 | 59% | 0.589 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -81.6 | 157.2 | 175.9 | -65.3 | 175.4 | 178.9 | 0 | 0 | 112.1 | R241 C242 C245 | R241-E247 CarbonylContact C-O 3.5Å; R241-E247 VanDerWaalsContact CA-O 3.29Å; R241-E247 WeakPolarHBondContact CA-O 3.41Å; C242-E247 PolarHBondContact N-O 3.37Å; C245-E247 PolarHBondContact O-N 2.92Å |
| 248 | V | 92.4 | Very high | 89.5 | Confident | 51 Ų | 51 | 84 Ų | 84 | 31% | 0.309 | 44% | 0.438 | S | S | . | . | B | Isolated β-bridge | trans | -63.2 | 136.6 | 175.7 | -65.6 | 0 | 0 | 0 | 0 | 110.6 | Q239 R241 H263 | Q239-V248 HydrophobicContact CB-CB 4.38Å; Q239-V248 HydrophobicContact CB-CG1 4.04Å; R241-V248 HydrophobicContact CG-CG1 4.18Å; V248-H263 PolarHBondContact O-NE2 3.15Å |
| 249 | V | 92.1 | Very high | 89.8 | Confident | 4 Ų | 4 | 78.9 Ų | 78.9 | 2% | 0.024 | 43% | 0.433 | C | S | . | . | trans | -109.2 | 118.8 | 179.9 | -170 | 0 | 0 | 0 | 0 | 108.3 | P240 C242 E253 A254 V261 | P240-V249 PolarHBondContact O-N 3.31Å; C242-V249 HydrophobicContact CB-CG2 3.45Å; C242-V249 VanDerWaalsContact CB-CG2 3.45Å; C242-V249 VanDerWaalsContact N-CG2 3.31Å; V249-E253 HydrophobicContact CG1-CB 4.36Å; V249-A254 VanDerWaalsContact CG1-CA 3.41Å; V249-A254 HydrophobicContact CG1-CB 3.79Å; V249-V261 HydrophobicContact CB-CG1 3.96Å; V249-V261 HydrophobicContact CG1-CG1 4.13Å; V249-V261 HydrophobicContact CG2-CG1 4.04Å | ||
| 250 | Y | 91.1 | Very high | 90 | Very high | 146 Ų | 146 | 78.8 Ų | 78.8 | 57% | 0.573 | 43% | 0.428 | S | S | * | . | trans | -70.1 | 146.6 | 174.3 | -68 | -78 | 0 | 0 | 0 | 110.3 | L252 E253 A254 | Y250-L252 PolarHBondContact O-N 3.13Å; Y250-E253 PolarHBondContact O-N 3.13Å; Y250-A254 PolarHBondContact O-N 3.14Å | ||
| 251 | P | 88.1 | Confident | 90.1 | Very high | 120 Ų | 120 | 76.8 Ų | 76.8 | 78% | 0.779 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -31.8 | -178.2 | -30 | 35.6 | 0 | 0 | 0 | 114.8 | E253 | P251-E253 VanDerWaalsContact C-N 3.34Å; P251-E253 PolarHBondContact O-N 3.48Å |
| 252 | L | 89.1 | Confident | 90.2 | Very high | 147 Ų | 147 | 68.6 Ų | 68.6 | 77% | 0.77 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -29 | 178.8 | -173.6 | 62.3 | 0 | 0 | 0 | 113.8 | Y250 K264 | Y250-L252 PolarHBondContact O-N 3.13Å; L252-K264 WeakPolarHBondContact O-CE 3.35Å; L252-K264 PolarHBondContact O-NZ 3.45Å |
| 253 | E | 87.2 | Confident | 90.2 | Very high | 95 Ų | 95 | 69.2 Ų | 69.2 | 44% | 0.444 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -3.8 | -178.4 | -61.2 | -166.1 | 158.9 | 0 | 0 | 113.4 | V249 Y250 P251 L255 H263 K264 | V249-E253 HydrophobicContact CG1-CB 4.36Å; Y250-E253 PolarHBondContact O-N 3.13Å; P251-E253 VanDerWaalsContact C-N 3.34Å; P251-E253 PolarHBondContact O-N 3.48Å; E253-L255 PolarHBondContact O-N 3.42Å; E253-H263 IonicContact OE2-CD2 3.25Å; E253-K264 PolarHBondContact O-N 3.35Å |
| 254 | A | 88.8 | Confident | 90.2 | Very high | 35 Ų | 35 | 70.1 Ų | 70.1 | 29% | 0.289 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 118.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V249 Y250 V261 | V249-A254 VanDerWaalsContact CG1-CA 3.41Å; V249-A254 HydrophobicContact CG1-CB 3.79Å; Y250-A254 PolarHBondContact O-N 3.14Å; A254-V261 HydrophobicContact CB-CG1 3.99Å |
| 255 | L | 90.4 | Very high | 90.2 | Very high | 26 Ų | 26 | 72.4 Ų | 72.4 | 14% | 0.136 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 113.1 | 164.1 | -66.7 | -169.8 | 0 | 0 | 0 | 109.1 | E253 V261 Y262 K264 F267 L278 | E253-L255 PolarHBondContact O-N 3.42Å; L255-V261 CarbonylContact O-C 3.52Å; L255-V261 WeakPolarHBondContact O-CA 3.5Å; L255-Y262 WeakPolarHBondContact CB-O 3.23Å; L255-Y262 PolarHBondContact N-O 3.16Å; L255-Y262 PolarHBondContact O-N 2.98Å; L255-K264 HydrophobicContact CD1-CB 4.21Å; L255-K264 HydrophobicContact CD1-CG 3.92Å; L255-K264 HydrophobicContact CD2-CG 3.83Å; L255-K264 HydrophobicContact CG-CB 4.37Å; L255-K264 HydrophobicContact CG-CG 3.64Å; L255-F267 HydrophobicContact CD1-CB 3.95Å; L255-F267 HydrophobicContact CD1-CD1 4.39Å; L255-F267 HydrophobicContact CD1-CG 4.36Å; L255-L278 HydrophobicContact CD2-CD1 4.13Å; L255-L278 HydrophobicContact CD2-CG 4.45Å |
| 256 | Q | 89.2 | Confident | 90.3 | Very high | 145 Ų | 145 | 71 Ų | 71 | 68% | 0.678 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 122.7 | 176.4 | -163.2 | 168.7 | 30 | 0 | 0 | 110.4 | R260 V261 | Q256-R260 CarbonylContact C-O 3.54Å; Q256-R260 WeakPolarHBondContact CA-O 3.25Å; Q256-V261 HydrophobicContact CG-CG2 4.37Å |
| 257 | T | 85.1 | Confident | 90.5 | Very high | 5 Ų | 5 | 67.6 Ų | 67.6 | 3% | 0.031 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 127.8 | 179.6 | 60.6 | 0 | 0 | 0 | 0 | 110 | G259 R260 Y262 F267 L278 Y281 | T257-G259 PolarHBondContact O-N 3.39Å; T257-G259 VanDerWaalsContact O-N 3.08Å; T257-R260 PolarHBondContact N-O 3.15Å; T257-R260 WeakPolarHBondContact O-CA 3.38Å; T257-R260 WeakPolarHBondContact O-CB 3.33Å; T257-R260 PolarHBondContact O-N 3.3Å; T257-R260 VanDerWaalsContact O-O 3.11Å; T257-Y262 WeakPolarHBondContact OG1-CD2 3.48Å; T257-Y262 WeakPolarHBondContact OG1-CE2 3.43Å; T257-F267 HydrophobicContact CG2-CD2 4.32Å; T257-F267 HydrophobicContact CG2-CE1 4.42Å; T257-F267 HydrophobicContact CG2-CE2 3.67Å; T257-F267 HydrophobicContact CG2-CZ 3.73Å; T257-L278 HydrophobicContact CG2-CD2 3.37Å; T257-Y281 WeakPolarHBondContact CB-OH 3.42Å; T257-Y281 HydrophobicContact CG2-CE1 4.32Å; T257-Y281 HydrophobicContact CG2-CE2 4.41Å; T257-Y281 WeakPolarHBondContact CG2-OH 3.43Å |
| 258 | I | 83.3 | Confident | 90.6 | Very high | 75 Ų | 75 | 65.4 Ų | 65.4 | 39% | 0.385 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 41.8 | 50.1 | 178.1 | -41.7 | -172.6 | 0 | 0 | 0 | 112.5 | R260 V283 | I258-R260 VanDerWaalsContact C-N 3.26Å; I258-R260 PolarHBondContact O-N 3.41Å; I258-V283 HydrophobicContact CD1-CB 3.67Å; I258-V283 HydrophobicContact CD1-CG1 4.3Å; I258-V283 HydrophobicContact CD1-CG2 3.46Å; I258-V283 VanDerWaalsContact CD1-CG2 3.46Å; I258-V283 HydrophobicContact CG1-CG2 4.33Å |
| 259 | G | 84.4 | Confident | 90.7 | Very high | 69 Ų | 69 | 63 Ų | 63 | 71% | 0.711 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 7.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | T257 | T257-G259 PolarHBondContact O-N 3.39Å; T257-G259 VanDerWaalsContact O-N 3.08Å |
| 260 | R | 89.1 | Confident | 90.8 | Very high | 100 Ų | 100 | 67.4 Ų | 67.4 | 38% | 0.377 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 148.5 | 177.5 | -61.9 | -177.5 | -177.1 | -153.3 | -2.3 | 110.6 | H243 Q256 T257 I258 Y262 G286 | H243-R260 HydrophobicContact CB-CB 4.32Å; H243-R260 PolarHBondContact CE1-NH1 3.39Å; H243-R260 PolarHBondContact NE2-NH1 3.23Å; Q256-R260 CarbonylContact C-O 3.54Å; Q256-R260 WeakPolarHBondContact CA-O 3.25Å; T257-R260 PolarHBondContact N-O 3.15Å; T257-R260 WeakPolarHBondContact O-CA 3.38Å; T257-R260 WeakPolarHBondContact O-CB 3.33Å; T257-R260 PolarHBondContact O-N 3.3Å; T257-R260 VanDerWaalsContact O-O 3.11Å; I258-R260 VanDerWaalsContact C-N 3.26Å; I258-R260 PolarHBondContact O-N 3.41Å; R260-Y262 HydrophobicContact CB-CD2 4.45Å; R260-Y262 HydrophobicContact CB-CE2 3.68Å; R260-G286 PolarHBondContact NH1-O 3.49Å |
| 261 | V | 91.7 | Very high | 90.9 | Very high | 22 Ų | 22 | 66.1 Ų | 66.1 | 13% | 0.133 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 139.2 | 178.3 | -175.2 | 0 | 0 | 0 | 0 | 109.2 | P240 C242 H243 V249 A254 L255 Q256 | P240-V261 HydrophobicContact CB-CB 4.33Å; P240-V261 HydrophobicContact CB-CG1 4.34Å; P240-V261 HydrophobicContact CB-CG2 3.98Å; C242-V261 CarbonylContact C-O 3.46Å; C242-V261 VanDerWaalsContact CA-O 3.27Å; C242-V261 WeakPolarHBondContact CA-O 3.49Å; H243-V261 PolarHBondContact N-O 3.2Å; V249-V261 HydrophobicContact CB-CG1 3.96Å; V249-V261 HydrophobicContact CG1-CG1 4.13Å; V249-V261 HydrophobicContact CG2-CG1 4.04Å; A254-V261 HydrophobicContact CB-CG1 3.99Å; L255-V261 CarbonylContact O-C 3.52Å; L255-V261 WeakPolarHBondContact O-CA 3.5Å; Q256-V261 HydrophobicContact CG-CG2 4.37Å |
| 262 | Y | 94.9 | Very high | 91.3 | Very high | 7 Ų | 7 | 63.1 Ų | 63.1 | 3% | 0.027 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 153.7 | 175.8 | -63 | -96.7 | 0 | 0 | 0 | 109.3 | H243 A244 L255 T257 R260 F267 | H243-Y262 HydrophobicContact CB-CD1 4.21Å; H243-Y262 HydrophobicContact CB-CE1 3.67Å; H243-Y262 HydrophobicContact CB-CE2 4.26Å; H243-Y262 AromaticContact CD2-CZ 3.93Å; H243-Y262 PolarHBondContact CD2-OH 3.37Å; H243-Y262 VanDerWaalsContact CD2-OH 3.3Å; A244-Y262 HydrophobicContact CB-CD1 3.88Å; A244-Y262 HydrophobicContact CB-CE1 4.1Å; L255-Y262 WeakPolarHBondContact CB-O 3.23Å; L255-Y262 PolarHBondContact N-O 3.16Å; L255-Y262 PolarHBondContact O-N 2.98Å; T257-Y262 WeakPolarHBondContact OG1-CD2 3.48Å; T257-Y262 WeakPolarHBondContact OG1-CE2 3.43Å; R260-Y262 HydrophobicContact CB-CD2 4.45Å; R260-Y262 HydrophobicContact CB-CE2 3.68Å; Y262-F267 HydrophobicContact CD1-CD2 4.36Å; Y262-F267 AromaticContact CD2-CD2 3.9Å; Y262-F267 HydrophobicContact CD2-CD2 3.9Å; Y262-F267 HydrophobicContact CD2-CE2 4.38Å; Y262-F267 HydrophobicContact CE2-CD2 4.33Å; Y262-F267 HydrophobicContact CE2-CE2 4.47Å; Y262-F267 AromaticContact CG-CD2 3.93Å; Y262-F267 HydrophobicContact CG-CD2 3.93Å |
| 263 | H | 95.2 | Very high | 91.5 | Very high | 14 Ų | 14 | 61.7 Ų | 61.7 | 7% | 0.065 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 153.1 | 160.1 | -56.1 | 92.2 | 0 | 0 | 0 | 110.3 | C242 C245 V248 E253 T265 C266 F267 | C242-H263 VanDerWaalsContact CB-CE1 3.48Å; C242-H263 WeakPolarHBondContact CB-CE1 3.46Å; C242-H263 VanDerWaalsContact CB-ND1 3.29Å; C242-H263 WeakPolarHBondContact CB-ND1 3.47Å; C242-H263 PolarHBondContact SG-N 3.05Å; C242-H263 PolarHBondContact SG-ND1 2.76Å; C245-H263 PolarHBondContact SG-CE1 3.14Å; C245-H263 PolarHBondContact SG-ND1 3.31Å; V248-H263 PolarHBondContact O-NE2 3.15Å; E253-H263 IonicContact OE2-CD2 3.25Å; H263-T265 PolarHBondContact O-N 3.08Å; H263-C266 HydrophobicContact CB-CB 3.85Å; H263-C266 PolarHBondContact O-N 3.15Å; H263-F267 PolarHBondContact O-N 2.93Å |
| 264 | K | 91.3 | Very high | 91.8 | Very high | 111 Ų | 111 | 66.1 Ų | 66.1 | 48% | 0.483 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -40.3 | 172.4 | -69.2 | 174.1 | -174.7 | 169.1 | 0 | 113.4 | L252 E253 L255 V275 | L252-K264 WeakPolarHBondContact O-CE 3.35Å; L252-K264 PolarHBondContact O-NZ 3.45Å; E253-K264 PolarHBondContact O-N 3.35Å; L255-K264 HydrophobicContact CD1-CB 4.21Å; L255-K264 HydrophobicContact CD1-CG 3.92Å; L255-K264 HydrophobicContact CD2-CG 3.83Å; L255-K264 HydrophobicContact CG-CB 4.37Å; L255-K264 HydrophobicContact CG-CG 3.64Å; K264-V275 WeakPolarHBondContact O-CG1 3.49Å |
| 265 | T | 92.3 | Very high | 92 | Very high | 103 Ų | 103 | 68.6 Ų | 68.6 | 63% | 0.632 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -23.7 | 178.4 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | H263 | H263-T265 PolarHBondContact O-N 3.08Š|
| 266 | C | 95.2 | Very high | 92.1 | Very high | 19 Ų | 19 | 67.9 Ų | 67.9 | 13% | 0.128 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -19.5 | -177.6 | -76.7 | 0 | 0 | 0 | 0 | 113.4 | C242 A244 H263 K268 | C242-C266 VanDerWaalsContact SG-CB 3.59Å; A244-C266 HydrophobicContact CB-CB 4Å; H263-C266 HydrophobicContact CB-CB 3.85Å; H263-C266 PolarHBondContact O-N 3.15Å; C266-K268 VanDerWaalsContact C-N 3.27Å; C266-K268 PolarHBondContact O-N 3.18Å |
| 267 | F | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.34 | C | S | . | . | trans | -75.7 | 78.9 | 177.4 | -168.5 | -114.7 | 0 | 0 | 0 | 110.6 | L255 T257 Y262 H263 L276 Y281 P288 | L255-F267 HydrophobicContact CD1-CB 3.95Å; L255-F267 HydrophobicContact CD1-CD1 4.39Å; L255-F267 HydrophobicContact CD1-CG 4.36Å; T257-F267 HydrophobicContact CG2-CD2 4.32Å; T257-F267 HydrophobicContact CG2-CE1 4.42Å; T257-F267 HydrophobicContact CG2-CE2 3.67Å; T257-F267 HydrophobicContact CG2-CZ 3.73Å; Y262-F267 HydrophobicContact CD1-CD2 4.36Å; Y262-F267 AromaticContact CD2-CD2 3.9Å; Y262-F267 HydrophobicContact CD2-CD2 3.9Å; Y262-F267 HydrophobicContact CD2-CE2 4.38Å; Y262-F267 HydrophobicContact CE2-CD2 4.33Å; Y262-F267 HydrophobicContact CE2-CE2 4.47Å; Y262-F267 AromaticContact CG-CD2 3.93Å; Y262-F267 HydrophobicContact CG-CD2 3.93Å; H263-F267 PolarHBondContact O-N 2.93Å; F267-L276 HydrophobicContact CD1-CB 3.62Å; F267-L276 WeakPolarHBondContact CD1-O 3.24Å; F267-L276 HydrophobicContact CE1-CB 3.55Å; F267-L276 HydrophobicContact CE1-CD1 4.49Å; F267-L276 HydrophobicContact CZ-CB 4.44Å; F267-L276 PolarHBondContact O-N 3.49Å; F267-Y281 AromaticContact CE1-CD1 3.91Å; F267-Y281 HydrophobicContact CE1-CD1 3.91Å; F267-Y281 HydrophobicContact CE1-CD2 4.37Å; F267-Y281 HydrophobicContact CE1-CE1 4.36Å; F267-Y281 AromaticContact CE1-CG 3.91Å; F267-Y281 HydrophobicContact CE1-CG 3.91Å; F267-Y281 HydrophobicContact CE2-CD2 4.34Å; F267-Y281 HydrophobicContact CE2-CE2 4.36Å; F267-Y281 AromaticContact CZ-CD1 3.75Å; F267-Y281 HydrophobicContact CZ-CD1 3.75Å; F267-Y281 AromaticContact CZ-CD2 3.5Å; F267-Y281 HydrophobicContact CZ-CD2 3.5Å; F267-Y281 AromaticContact CZ-CE1 3.98Å; F267-Y281 HydrophobicContact CZ-CE1 3.98Å; F267-Y281 AromaticContact CZ-CE2 3.72Å; F267-Y281 HydrophobicContact CZ-CE2 3.72Å; F267-Y281 AromaticContact CZ-CG 3.5Å; F267-Y281 HydrophobicContact CZ-CG 3.5Å; F267-Y281 AromaticContact CZ-CZ 3.96Å; F267-P288 HydrophobicContact CD2-CB 4.3Å; F267-P288 HydrophobicContact CD2-CG 4.22Å; F267-P288 HydrophobicContact CE2-CB 3.68Å; F267-P288 HydrophobicContact CE2-CG 4.05Å; F267-P288 HydrophobicContact CZ-CB 4.1Å | ||
| 268 | K | 95.4 | Very high | 92 | Very high | 79 Ų | 79 | 69.4 Ų | 69.4 | 34% | 0.343 | 36% | 0.362 | S | S | . | . | B | Isolated β-bridge | trans | -125.6 | 151 | -174 | 64.1 | 179.3 | 177 | -89.1 | 0 | 112.1 | C266 H270 H273 R274 | C266-K268 VanDerWaalsContact C-N 3.27Å; C266-K268 PolarHBondContact O-N 3.18Å; K268-H270 PolarHBondContact O-N 2.85Å; K268-H273 HydrophobicContact CD-CB 4.07Å; K268-R274 CarbonylContact C-O 3.54Å; K268-R274 VanDerWaalsContact CA-O 3.24Å; K268-R274 WeakPolarHBondContact CA-O 3.29Å; K268-R274 WeakPolarHBondContact CB-O 3.49Å |
| 269 | C | 96 | Very high | 92.1 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 38% | 0.375 | C | S | . | . | trans | -58.3 | 131.4 | 176 | 177.6 | 0 | 0 | 0 | 0 | 110.5 | Q271 C272 H273 R274 L276 P288 C290 | C269-Q271 PolarHBondContact O-N 3.23Å; C269-Q271 PolarHBondContact SG-N 2.93Å; C269-Q271 VanDerWaalsContact SG-N 3.38Å; C269-C272 VanDerWaalsContact CB-SG 3.52Å; C269-C272 VanDerWaalsContact SG-SG 3.62Å; C269-H273 WeakPolarHBondContact O-CA 3.17Å; C269-H273 PolarHBondContact O-N 3.18Å; C269-H273 PolarHBondContact O-ND1 3.41Å; C269-R274 PolarHBondContact N-O 3.26Å; C269-L276 HydrophobicContact CB-CD1 4.17Å; C269-L276 HydrophobicContact CB-CD2 4.21Å; C269-L276 HydrophobicContact CB-CG 4.31Å; C269-P288 CarbonylContact C-O 3.56Å; C269-P288 WeakPolarHBondContact CA-O 3.35Å; C269-C290 HydrophobicContact CB-CB 4.33Å; C269-C290 PolarHBondContact SG-N 3.14Å; C269-C290 VanDerWaalsContact SG-N 3.37Å; C269-C290 VanDerWaalsContact SG-SG 3.68Å | ||
| 270 | H | 93.1 | Very high | 92.2 | Very high | 98 Ų | 98 | 73 Ų | 73 | 45% | 0.454 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -29 | 178.3 | -167.6 | 80.2 | 0 | 0 | 0 | 112.6 | K268 H273 N287 P288 Y289 | K268-H270 PolarHBondContact O-N 2.85Å; H270-H273 PolarHBondContact O-CE1 3.25Å; H270-N287 HydrophobicContact CB-CB 4.23Å; H270-P288 PolarHBondContact N-O 3.46Å; H270-Y289 HydrophobicContact CB-CD1 4.29Å; H270-Y289 HydrophobicContact CB-CE1 3.68Å; H270-Y289 HydrophobicContact CB-CE2 4.31Å |
| 271 | Q | 93.8 | Very high | 92.3 | Very high | 119 Ų | 119 | 70 Ų | 70 | 56% | 0.556 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -45.5 | -178.9 | -171.1 | 65.9 | 18.3 | 0 | 0 | 114.2 | C269 Y289 H293 | C269-Q271 PolarHBondContact O-N 3.23Å; C269-Q271 PolarHBondContact SG-N 2.93Å; C269-Q271 VanDerWaalsContact SG-N 3.38Å; Q271-Y289 HydrophobicContact CB-CD1 4.08Å; Q271-Y289 HydrophobicContact CB-CE1 4.07Å; Q271-H293 HydrophobicContact CB-CB 3.96Å; Q271-H293 HydrophobicContact CG-CB 4.3Å |
| 272 | C | 96 | Very high | 92.3 | Very high | 57 Ų | 57 | 70.1 Ų | 70.1 | 39% | 0.385 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | -1.8 | -177.7 | 62.1 | 0 | 0 | 0 | 0 | 115.3 | C269 R274 H293 | C269-C272 VanDerWaalsContact CB-SG 3.52Å; C269-C272 VanDerWaalsContact SG-SG 3.62Å; C272-R274 PolarHBondContact O-N 2.91Å; C272-H293 WeakPolarHBondContact CB-CE1 3.42Å; C272-H293 PolarHBondContact SG-CE1 3.48Å; C272-H293 PolarHBondContact SG-ND1 2.87Å |
| 273 | H | 93.4 | Very high | 92.1 | Very high | 117 Ų | 117 | 71 Ų | 71 | 54% | 0.542 | 37% | 0.37 | S | S | . | . | trans | 58.2 | 11.8 | 178.4 | -53.2 | -45.2 | 0 | 0 | 0 | 115.5 | K268 C269 H270 | K268-H273 HydrophobicContact CD-CB 4.07Å; C269-H273 WeakPolarHBondContact O-CA 3.17Å; C269-H273 PolarHBondContact O-N 3.18Å; C269-H273 PolarHBondContact O-ND1 3.41Å; H270-H273 PolarHBondContact O-CE1 3.25Å | ||
| 274 | R | 94 | Very high | 91.8 | Very high | 188 Ų | 188 | 72.4 Ų | 72.4 | 71% | 0.709 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 133.4 | 169.4 | 179 | 176.7 | -93.6 | -140.3 | -1.5 | 109.6 | K268 C269 C272 L276 | K268-R274 CarbonylContact C-O 3.54Å; K268-R274 VanDerWaalsContact CA-O 3.24Å; K268-R274 WeakPolarHBondContact CA-O 3.29Å; K268-R274 WeakPolarHBondContact CB-O 3.49Å; C269-R274 PolarHBondContact N-O 3.26Å; C272-R274 PolarHBondContact O-N 2.91Å; R274-L276 PolarHBondContact O-N 2.87Å |
| 275 | V | 92.8 | Very high | 91.6 | Very high | 86 Ų | 86 | 74.9 Ų | 74.9 | 52% | 0.521 | 39% | 0.388 | S | S | . | . | B | Isolated β-bridge | trans | -60 | 126.8 | 172.9 | -178.3 | 0 | 0 | 0 | 0 | 109 | K264 | K264-V275 WeakPolarHBondContact O-CG1 3.49Å |
| 276 | L | 93 | Very high | 91.4 | Very high | 12 Ų | 12 | 70.7 Ų | 70.7 | 6% | 0.063 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -95 | 152.7 | -178 | -64.5 | 170.7 | 0 | 0 | 0 | 109.9 | F267 C269 R274 P288 C290 | F267-L276 HydrophobicContact CD1-CB 3.62Å; F267-L276 WeakPolarHBondContact CD1-O 3.24Å; F267-L276 HydrophobicContact CE1-CB 3.55Å; F267-L276 HydrophobicContact CE1-CD1 4.49Å; F267-L276 HydrophobicContact CZ-CB 4.44Å; F267-L276 PolarHBondContact O-N 3.49Å; C269-L276 HydrophobicContact CB-CD1 4.17Å; C269-L276 HydrophobicContact CB-CD2 4.21Å; C269-L276 HydrophobicContact CB-CG 4.31Å; R274-L276 PolarHBondContact O-N 2.87Å; L276-P288 HydrophobicContact CD1-CB 3.8Å; L276-C290 HydrophobicContact CD2-CB 3.63Å |
| 277 | S | 88.2 | Confident | 91.2 | Very high | 85 Ų | 85 | 72.1 Ų | 72.1 | 59% | 0.594 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -103.7 | 150.5 | 172 | -49.9 | 0 | 0 | 0 | 0 | 109.7 | G279 K280 | S277-G279 PolarHBondContact O-N 3.5Å; S277-K280 PolarHBondContact O-N 3.27Å; S277-K280 VanDerWaalsContact O-N 3.08Å |
| 278 | L | 84.1 | Confident | 91.1 | Very high | 96 Ų | 96 | 72.6 Ų | 72.6 | 50% | 0.503 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -15.8 | -179.5 | -68 | 177.1 | 0 | 0 | 0 | 114.4 | L255 T257 Y281 | L255-L278 HydrophobicContact CD2-CD1 4.13Å; L255-L278 HydrophobicContact CD2-CG 4.45Å; T257-L278 HydrophobicContact CG2-CD2 3.37Å; L278-Y281 VanDerWaalsContact O-CE1 3.29Å; L278-Y281 WeakPolarHBondContact O-CE1 3.21Å |
| 279 | G | 84.6 | Confident | 91 | Very high | 62 Ų | 62 | 69.6 Ų | 69.6 | 64% | 0.639 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -19.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | S277 | S277-G279 PolarHBondContact O-N 3.5Š|
| 280 | K | 86 | Confident | 91 | Very high | 159 Ų | 159 | 70.3 Ų | 70.3 | 69% | 0.691 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -135.1 | 64.5 | -171.2 | -65.3 | -173.6 | -177.9 | -178.3 | 0 | 111.7 | S277 | S277-K280 PolarHBondContact O-N 3.27Å; S277-K280 VanDerWaalsContact O-N 3.08Å |
| 281 | Y | 92.7 | Very high | 91 | Very high | 36 Ų | 36 | 70.7 Ų | 70.7 | 14% | 0.141 | 37% | 0.369 | C | S | . | . | trans | -142.5 | 163.8 | 173.5 | 77.2 | -82.2 | 0 | 0 | 0 | 111.4 | N125 T257 F267 L278 V283 | N125-Y281 PolarHBondContact ND2-O 3.01Å; T257-Y281 WeakPolarHBondContact CB-OH 3.42Å; T257-Y281 HydrophobicContact CG2-CE1 4.32Å; T257-Y281 HydrophobicContact CG2-CE2 4.41Å; T257-Y281 WeakPolarHBondContact CG2-OH 3.43Å; F267-Y281 AromaticContact CE1-CD1 3.91Å; F267-Y281 HydrophobicContact CE1-CD1 3.91Å; F267-Y281 HydrophobicContact CE1-CD2 4.37Å; F267-Y281 HydrophobicContact CE1-CE1 4.36Å; F267-Y281 AromaticContact CE1-CG 3.91Å; F267-Y281 HydrophobicContact CE1-CG 3.91Å; F267-Y281 HydrophobicContact CE2-CD2 4.34Å; F267-Y281 HydrophobicContact CE2-CE2 4.36Å; F267-Y281 AromaticContact CZ-CD1 3.75Å; F267-Y281 HydrophobicContact CZ-CD1 3.75Å; F267-Y281 AromaticContact CZ-CD2 3.5Å; F267-Y281 HydrophobicContact CZ-CD2 3.5Å; F267-Y281 AromaticContact CZ-CE1 3.98Å; F267-Y281 HydrophobicContact CZ-CE1 3.98Å; F267-Y281 AromaticContact CZ-CE2 3.72Å; F267-Y281 HydrophobicContact CZ-CE2 3.72Å; F267-Y281 AromaticContact CZ-CG 3.5Å; F267-Y281 HydrophobicContact CZ-CG 3.5Å; F267-Y281 AromaticContact CZ-CZ 3.96Å; L278-Y281 VanDerWaalsContact O-CE1 3.29Å; L278-Y281 WeakPolarHBondContact O-CE1 3.21Å; Y281-V283 HydrophobicContact CD2-CG2 3.85Å; Y281-V283 HydrophobicContact CE2-CG2 3.63Å | ||
| 282 | S | 91.6 | Very high | 91 | Very high | 24 Ų | 24 | 68.9 Ų | 68.9 | 17% | 0.168 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 148.1 | 171.1 | -58.3 | 0 | 0 | 0 | 0 | 108.7 | Y289 | S282-Y289 PolarHBondContact N-O 3.11Å; S282-Y289 PolarHBondContact O-N 3.07Å |
| 283 | V | 90.2 | Very high | 90.9 | Very high | 26 Ų | 26 | 68.9 Ų | 68.9 | 16% | 0.158 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 127.9 | -176.7 | 176.2 | 0 | 0 | 0 | 0 | 109.1 | I258 Y281 N287 | I258-V283 HydrophobicContact CD1-CB 3.67Å; I258-V283 HydrophobicContact CD1-CG1 4.3Å; I258-V283 HydrophobicContact CD1-CG2 3.46Å; I258-V283 VanDerWaalsContact CD1-CG2 3.46Å; I258-V283 HydrophobicContact CG1-CG2 4.33Å; Y281-V283 HydrophobicContact CD2-CG2 3.85Å; Y281-V283 HydrophobicContact CE2-CG2 3.63Å; V283-N287 WeakPolarHBondContact CA-O 3.25Å |
| 284 | W | 89.2 | Confident | 91 | Very high | 43 Ų | 43 | 65.2 Ų | 65.2 | 16% | 0.163 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 125.9 | 173.4 | -178.5 | -84.1 | 0 | 0 | 0 | 108.3 | G286 N287 Y289 Y294 L297 F298 F301 | W284-G286 PolarHBondContact O-N 2.93Å; W284-G286 VanDerWaalsContact O-N 3.11Å; W284-N287 PolarHBondContact N-O 2.99Å; W284-N287 PolarHBondContact O-N 3.2Å; W284-Y289 HydrophobicContact CB-CD2 3.75Å; W284-Y289 HydrophobicContact CB-CE2 3.68Å; W284-Y289 HydrophobicContact CG-CE2 4.48Å; W284-Y294 HydrophobicContact CB-CD2 4.08Å; W284-Y294 HydrophobicContact CB-CE2 4.04Å; W284-Y294 AromaticContact CE3-CE2 3.92Å; W284-Y294 HydrophobicContact CE3-CE2 3.92Å; W284-L297 HydrophobicContact CB-CD1 4.44Å; W284-L297 HydrophobicContact CD2-CB 4.44Å; W284-L297 HydrophobicContact CG-CD1 4.35Å; W284-F298 AromaticContact CZ3-CD2 4Å; W284-F298 HydrophobicContact CZ3-CD2 4Å; W284-F301 HydrophobicContact CH2-CB 3.73Å; W284-F301 HydrophobicContact CZ2-CB 3.36Å; W284-F301 HydrophobicContact CZ2-CG 4.34Å |
| 285 | E | 87 | Confident | 90.9 | Very high | 163 Ų | 163 | 61 Ų | 61 | 76% | 0.762 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 33.8 | -176.8 | -68.4 | 178.9 | 171 | 0 | 0 | 114.2 | N287 | E285-N287 VanDerWaalsContact C-N 3.26Å; E285-N287 PolarHBondContact O-N 3.07Å |
| 286 | G | 87.2 | Confident | 90.8 | Very high | 16 Ų | 16 | 61.6 Ų | 61.6 | 17% | 0.165 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 2.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R260 W284 | R260-G286 PolarHBondContact NH1-O 3.49Å; W284-G286 PolarHBondContact O-N 2.93Å; W284-G286 VanDerWaalsContact O-N 3.11Å |
| 287 | N | 91.4 | Very high | 90.6 | Very high | 49 Ų | 49 | 62.4 Ų | 62.4 | 26% | 0.262 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 137.9 | 174.9 | -67.8 | -48.8 | 0 | 0 | 0 | 111 | H270 V283 W284 E285 Y289 | H270-N287 HydrophobicContact CB-CB 4.23Å; V283-N287 WeakPolarHBondContact CA-O 3.25Å; W284-N287 PolarHBondContact N-O 2.99Å; W284-N287 PolarHBondContact O-N 3.2Å; E285-N287 VanDerWaalsContact C-N 3.26Å; E285-N287 PolarHBondContact O-N 3.07Å; N287-Y289 HydrophobicContact CB-CE2 3.82Å; N287-Y289 WeakPolarHBondContact O-CD2 3.32Å; N287-Y289 WeakPolarHBondContact O-CE2 3.28Å |
| 288 | P | 93.1 | Very high | 90.6 | Very high | 9 Ų | 9 | 61.2 Ų | 61.2 | 6% | 0.058 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 138 | 178.8 | 32.3 | -34.5 | 0 | 0 | 0 | 111.7 | F267 C269 H270 L276 | F267-P288 HydrophobicContact CD2-CB 4.3Å; F267-P288 HydrophobicContact CD2-CG 4.22Å; F267-P288 HydrophobicContact CE2-CB 3.68Å; F267-P288 HydrophobicContact CE2-CG 4.05Å; F267-P288 HydrophobicContact CZ-CB 4.1Å; C269-P288 CarbonylContact C-O 3.56Å; C269-P288 WeakPolarHBondContact CA-O 3.35Å; H270-P288 PolarHBondContact N-O 3.46Å; L276-P288 HydrophobicContact CD1-CB 3.8Å |
| 289 | Y | 94.7 | Very high | 90.9 | Very high | 16 Ų | 16 | 64.1 Ų | 64.1 | 6% | 0.063 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 149.5 | 176.9 | -68.1 | -90.8 | 0 | 0 | 0 | 110.5 | H270 Q271 S282 W284 N287 H293 L297 | H270-Y289 HydrophobicContact CB-CD1 4.29Å; H270-Y289 HydrophobicContact CB-CE1 3.68Å; H270-Y289 HydrophobicContact CB-CE2 4.31Å; Q271-Y289 HydrophobicContact CB-CD1 4.08Å; Q271-Y289 HydrophobicContact CB-CE1 4.07Å; S282-Y289 PolarHBondContact N-O 3.11Å; S282-Y289 PolarHBondContact O-N 3.07Å; W284-Y289 HydrophobicContact CB-CD2 3.75Å; W284-Y289 HydrophobicContact CB-CE2 3.68Å; W284-Y289 HydrophobicContact CG-CE2 4.48Å; N287-Y289 HydrophobicContact CB-CE2 3.82Å; N287-Y289 WeakPolarHBondContact O-CD2 3.32Å; N287-Y289 WeakPolarHBondContact O-CE2 3.28Å; Y289-H293 HydrophobicContact CD1-CB 4.14Å; Y289-L297 HydrophobicContact CD1-CD1 3.53Å; Y289-L297 HydrophobicContact CD2-CD1 4.01Å; Y289-L297 HydrophobicContact CE1-CD1 3.25Å; Y289-L297 HydrophobicContact CE2-CD1 3.77Å; Y289-L297 HydrophobicContact CG-CD1 3.9Å |
| 290 | C | 95.9 | Very high | 90.9 | Very high | 16 Ų | 16 | 64.3 Ų | 64.3 | 11% | 0.108 | 33% | 0.331 | C | S | . | . | trans | -71.1 | 154.7 | 165.2 | 60.4 | 0 | 0 | 0 | 0 | 109.6 | C269 L276 P292 H293 Y294 | C269-C290 HydrophobicContact CB-CB 4.33Å; C269-C290 PolarHBondContact SG-N 3.14Å; C269-C290 VanDerWaalsContact SG-N 3.37Å; C269-C290 VanDerWaalsContact SG-SG 3.68Å; L276-C290 HydrophobicContact CD2-CB 3.63Å; C290-P292 VanDerWaalsContact C-CD 3.49Å; C290-P292 HydrophobicContact CB-CG 4.43Å; C290-H293 PolarHBondContact O-N 3.19Å; C290-H293 VanDerWaalsContact O-N 3.09Å; C290-H293 PolarHBondContact SG-ND1 3.41Å; C290-Y294 PolarHBondContact O-N 2.77Å | ||
| 291 | E | 92.3 | Very high | 90.8 | Very high | 105 Ų | 105 | 63.6 Ų | 63.6 | 49% | 0.491 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -44 | -50.5 | 179.4 | -173.9 | -178.1 | 170.6 | 0 | 0 | 114.6 | H293 Y294 L295 | E291-H293 PolarHBondContact O-N 3.44Å; E291-Y294 PolarHBondContact O-N 3.36Å; E291-L295 PolarHBondContact O-N 3Å |
| 292 | P | 93.2 | Very high | 90.1 | Very high | 82 Ų | 82 | 62.7 Ų | 62.7 | 53% | 0.532 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.6 | -38.9 | -178.6 | 24.9 | -34.6 | 0 | 0 | 0 | 112.9 | C290 L295 V296 | C290-P292 VanDerWaalsContact C-CD 3.49Å; C290-P292 HydrophobicContact CB-CG 4.43Å; P292-L295 PolarHBondContact O-N 3.16Å; P292-V296 WeakPolarHBondContact O-CG2 3.42Å; P292-V296 PolarHBondContact O-N 3.35Å |
| 293 | H | 94.7 | Very high | 89.1 | Confident | 56 Ų | 56 | 68.9 Ų | 68.9 | 26% | 0.259 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -73.4 | -35.5 | 178.2 | -69.1 | 133.8 | 0 | 0 | 0 | 112.3 | Q271 C272 Y289 C290 E291 L295 V296 L297 | Q271-H293 HydrophobicContact CB-CB 3.96Å; Q271-H293 HydrophobicContact CG-CB 4.3Å; C272-H293 WeakPolarHBondContact CB-CE1 3.42Å; C272-H293 PolarHBondContact SG-CE1 3.48Å; C272-H293 PolarHBondContact SG-ND1 2.87Å; Y289-H293 HydrophobicContact CD1-CB 4.14Å; C290-H293 PolarHBondContact O-N 3.19Å; C290-H293 VanDerWaalsContact O-N 3.09Å; C290-H293 PolarHBondContact SG-ND1 3.41Å; E291-H293 PolarHBondContact O-N 3.44Å; H293-L295 VanDerWaalsContact C-N 3.3Å; H293-L295 PolarHBondContact O-N 2.83Å; H293-V296 PolarHBondContact O-N 3.48Å; H293-L297 WeakPolarHBondContact O-CG 3.49Å; H293-L297 PolarHBondContact O-N 2.93Å |
| 294 | Y | 94.2 | Very high | 87.7 | Confident | 41 Ų | 41 | 75.1 Ų | 75.1 | 16% | 0.161 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 172.2 | -177.9 | -97.9 | 0 | 0 | 0 | 110.9 | W284 C290 E291 V296 L297 F298 | W284-Y294 HydrophobicContact CB-CD2 4.08Å; W284-Y294 HydrophobicContact CB-CE2 4.04Å; W284-Y294 AromaticContact CE3-CE2 3.92Å; W284-Y294 HydrophobicContact CE3-CE2 3.92Å; C290-Y294 PolarHBondContact O-N 2.77Å; E291-Y294 PolarHBondContact O-N 3.36Å; Y294-V296 VanDerWaalsContact C-N 3.34Å; Y294-V296 PolarHBondContact O-N 3.03Å; Y294-L297 PolarHBondContact O-N 3.34Å; Y294-F298 HydrophobicContact CD1-CB 4.41Å; Y294-F298 HydrophobicContact CE1-CB 4.13Å; Y294-F298 HydrophobicContact CE1-CD2 4.14Å; Y294-F298 HydrophobicContact CE1-CG 4.33Å; Y294-F298 VanDerWaalsContact O-CB 3.24Å; Y294-F298 WeakPolarHBondContact O-CB 3.44Å; Y294-F298 PolarHBondContact O-N 2.87Å |
| 295 | L | 91.9 | Very high | 86.2 | Confident | 99 Ų | 99 | 79.5 Ų | 79.5 | 52% | 0.518 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 178.5 | -174.8 | 62.7 | 0 | 0 | 0 | 112.4 | E291 P292 H293 K299 | E291-L295 PolarHBondContact O-N 3Å; P292-L295 PolarHBondContact O-N 3.16Å; H293-L295 VanDerWaalsContact C-N 3.3Å; H293-L295 PolarHBondContact O-N 2.83Å; L295-K299 VanDerWaalsContact O-CB 3.28Å; L295-K299 WeakPolarHBondContact O-CB 3.2Å; L295-K299 PolarHBondContact O-N 2.97Å |
| 296 | V | 90.9 | Very high | 84.6 | Confident | 98 Ų | 98 | 75.5 Ų | 75.5 | 59% | 0.594 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.7 | -46 | 174.5 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | P292 H293 Y294 K299 A300 | P292-V296 WeakPolarHBondContact O-CG2 3.42Å; P292-V296 PolarHBondContact O-N 3.35Å; H293-V296 PolarHBondContact O-N 3.48Å; Y294-V296 VanDerWaalsContact C-N 3.34Å; Y294-V296 PolarHBondContact O-N 3.03Å; V296-K299 PolarHBondContact O-N 2.68Å; V296-A300 WeakPolarHBondContact O-CB 3.41Å; V296-A300 PolarHBondContact O-N 3.38Å |
| 297 | L | 88.9 | Confident | 83 | Confident | 30 Ų | 30 | 80.6 Ų | 80.6 | 16% | 0.157 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65.5 | -43.6 | 178 | -72.1 | 172.5 | 0 | 0 | 0 | 112.2 | W284 Y289 H293 Y294 K299 A300 F301 | W284-L297 HydrophobicContact CB-CD1 4.44Å; W284-L297 HydrophobicContact CD2-CB 4.44Å; W284-L297 HydrophobicContact CG-CD1 4.35Å; Y289-L297 HydrophobicContact CD1-CD1 3.53Å; Y289-L297 HydrophobicContact CD2-CD1 4.01Å; Y289-L297 HydrophobicContact CE1-CD1 3.25Å; Y289-L297 HydrophobicContact CE2-CD1 3.77Å; Y289-L297 HydrophobicContact CG-CD1 3.9Å; H293-L297 WeakPolarHBondContact O-CG 3.49Å; H293-L297 PolarHBondContact O-N 2.93Å; Y294-L297 PolarHBondContact O-N 3.34Å; L297-K299 VanDerWaalsContact C-N 3.3Å; L297-K299 PolarHBondContact O-N 3.03Å; L297-A300 PolarHBondContact O-N 3.48Å; L297-A300 VanDerWaalsContact O-N 3.15Å; L297-F301 HydrophobicContact CD2-CD2 4.13Å; L297-F301 HydrophobicContact CD2-CE2 4.04Å; L297-F301 PolarHBondContact O-N 3.36Å |
| 298 | F | 89.6 | Confident | 81.2 | Confident | 59 Ų | 59 | 85.3 Ų | 85.3 | 26% | 0.259 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.2 | -36 | 177.2 | -171.6 | -91.4 | 0 | 0 | 0 | 111.4 | W284 Y294 G302 Y304 | W284-F298 AromaticContact CZ3-CD2 4Å; W284-F298 HydrophobicContact CZ3-CD2 4Å; Y294-F298 HydrophobicContact CD1-CB 4.41Å; Y294-F298 HydrophobicContact CE1-CB 4.13Å; Y294-F298 HydrophobicContact CE1-CD2 4.14Å; Y294-F298 HydrophobicContact CE1-CG 4.33Å; Y294-F298 VanDerWaalsContact O-CB 3.24Å; Y294-F298 WeakPolarHBondContact O-CB 3.44Å; Y294-F298 PolarHBondContact O-N 2.87Å; F298-G302 WeakPolarHBondContact O-CA 3.49Å; F298-G302 PolarHBondContact O-N 3.48Å; F298-Y304 HydrophobicContact CE1-CD1 4.37Å; F298-Y304 HydrophobicContact CE1-CE1 4.08Å |
| 299 | K | 88.8 | Confident | 78.8 | Confident | 158 Ų | 158 | 89.8 Ų | 89.8 | 69% | 0.687 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -69.4 | -34.9 | 173.4 | -174.3 | 175.1 | 179.5 | -178.7 | 0 | 112.5 | L295 V296 L297 | L295-K299 VanDerWaalsContact O-CB 3.28Å; L295-K299 WeakPolarHBondContact O-CB 3.2Å; L295-K299 PolarHBondContact O-N 2.97Å; V296-K299 PolarHBondContact O-N 2.68Å; L297-K299 VanDerWaalsContact C-N 3.3Å; L297-K299 PolarHBondContact O-N 3.03Å |
| 300 | A | 85.3 | Confident | 76.3 | Confident | 66 Ų | 66 | 99.5 Ų | 99.5 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -78.5 | -35.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V296 L297 | V296-A300 WeakPolarHBondContact O-CB 3.41Å; V296-A300 PolarHBondContact O-N 3.38Å; L297-A300 PolarHBondContact O-N 3.48Å; L297-A300 VanDerWaalsContact O-N 3.15Å |
| 301 | F | 83.4 | Confident | 73.7 | Confident | 144 Ų | 144 | 103.2 Ų | 103.2 | 63% | 0.632 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -131.1 | -10.2 | -168.4 | -58.3 | -71.4 | 0 | 0 | 0 | 114.3 | W284 L297 | W284-F301 HydrophobicContact CH2-CB 3.73Å; W284-F301 HydrophobicContact CZ2-CB 3.36Å; W284-F301 HydrophobicContact CZ2-CG 4.34Å; L297-F301 HydrophobicContact CD2-CD2 4.13Å; L297-F301 HydrophobicContact CD2-CE2 4.04Å; L297-F301 PolarHBondContact O-N 3.36Å |
| 302 | G | 78.1 | Confident | 71.1 | Confident | 17 Ų | 17 | 104.1 Ų | 104.1 | 18% | 0.175 | 56% | 0.559 | C | S | . | * | trans | -75.7 | 146.1 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | F298 | F298-G302 WeakPolarHBondContact O-CA 3.49Å; F298-G302 PolarHBondContact O-N 3.48Å | ||
| 303 | Q | 70.6 | Confident | 68.8 | Low | 153 Ų | 153 | 107.3 Ų | 107.3 | 72% | 0.715 | 57% | 0.57 | S | S | * | * | trans | -91.8 | 121.1 | 172.3 | -65.5 | 172 | 9.5 | 0 | 0 | 108.9 | N305 | Q303-N305 VanDerWaalsContact C-N 3.3Å; Q303-N305 PolarHBondContact O-N 3.36Å | ||
| 304 | Y | 61.5 | Low | 66.6 | Low | 158 Ų | 158 | 112 Ų | 112 | 62% | 0.62 | 60% | 0.596 | S | S | * | * | trans | -77.1 | 82.1 | 170.3 | -64.8 | -82.1 | 0 | 0 | 0 | 109.3 | F298 S306 | F298-Y304 HydrophobicContact CE1-CD1 4.37Å; F298-Y304 HydrophobicContact CE1-CE1 4.08Å; Y304-S306 PolarHBondContact O-N 3.08Å | ||
| 305 | N | 57.6 | Low | 64.2 | Low | 134 Ų | 134 | 115.5 Ų | 115.5 | 72% | 0.717 | 62% | 0.618 | S | S | * | * | trans | -78.9 | 70 | 166.3 | -68.2 | -26.1 | 0 | 0 | 0 | 108.4 | Q303 S307 | Q303-N305 VanDerWaalsContact C-N 3.3Å; Q303-N305 PolarHBondContact O-N 3.36Å; N305-S307 VanDerWaalsContact C-N 3.28Å; N305-S307 PolarHBondContact O-N 3.5Å | ||
| 306 | S | 53.8 | Low | 62.1 | Low | 79 Ų | 79 | 113.6 Ų | 113.6 | 55% | 0.552 | 62% | 0.616 | S | S | * | * | trans | -70.7 | 90.5 | 170.8 | 62.5 | 0 | 0 | 0 | 0 | 108.3 | Y304 L308 | Y304-S306 PolarHBondContact O-N 3.08Å; S306-L308 PolarHBondContact O-N 3.19Å | ||
| 307 | S | 53.5 | Low | 60.3 | Low | 123 Ų | 123 | 112.9 Ų | 112.9 | 86% | 0.86 | 62% | 0.615 | S | S | * | * | trans | -65.2 | 6.1 | 163.8 | 49.8 | 0 | 0 | 0 | 0 | 113 | N305 T309 | N305-S307 VanDerWaalsContact C-N 3.28Å; N305-S307 PolarHBondContact O-N 3.5Å; S307-T309 PolarHBondContact O-N 3.06Å | ||
| 308 | L | 52.2 | Low | 58.8 | Low | 148 Ų | 148 | 114 Ų | 114 | 78% | 0.775 | 63% | 0.626 | S | S | * | * | trans | -77 | 75.4 | 159.3 | -63.9 | 169.6 | 0 | 0 | 0 | 109 | S306 | S306-L308 PolarHBondContact O-N 3.19Š| ||
| 309 | T | 43.6 | Very low | 57.5 | Low | 104 Ų | 104 | 116.7 Ų | 116.7 | 64% | 0.638 | 64% | 0.639 | S | S | * | * | trans | 162.7 | 113.1 | 141.2 | 38.7 | 0 | 0 | 0 | 0 | 107.8 | S307 T311 | S307-T309 PolarHBondContact O-N 3.06Å; T309-T311 PolarHBondContact O-N 3.18Å | ||
| 310 | K | 41.6 | Very low | 56.3 | Low | 219 Ų | 219 | 113.5 Ų | 113.5 | 95% | 0.952 | 63% | 0.632 | S | S | * | * | trans | -65.8 | 73.8 | 162.2 | -73.6 | 173.8 | 172.6 | 175.3 | 0 | 108.7 | ||||
| 311 | T | 42.7 | Very low | 55.1 | Low | 94 Ų | 94 | 116.3 Ų | 116.3 | 58% | 0.577 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -153.5 | 125.6 | 163.4 | 44 | 0 | 0 | 0 | 0 | 108.4 | T309 I313 | T309-T311 PolarHBondContact O-N 3.18Å; T311-I313 PolarHBondContact O-N 3.27Å |
| 312 | P | 37.7 | Very low | 54.5 | Low | 124 Ų | 124 | 115 Ų | 115 | 81% | 0.805 | 63% | 0.63 | S | S | * | * | trans | -60.4 | 131.2 | -171.4 | 23.5 | -32.3 | 0 | 0 | 0 | 112 | L314 | P312-L314 PolarHBondContact O-N 2.82Š| ||
| 313 | I | 43.7 | Very low | 53.9 | Low | 150 Ų | 150 | 117 Ų | 117 | 77% | 0.769 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 16.1 | -164.4 | -64.7 | 163.1 | 0 | 0 | 0 | 114.2 | T311 D315 | T311-I313 PolarHBondContact O-N 3.27Å; I313-D315 PolarHBondContact O-N 3.06Å |
| 314 | L | 48.9 | Very low | 53.8 | Low | 154 Ų | 154 | 113 Ų | 113 | 81% | 0.806 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -20.7 | -176.6 | -128.9 | 85.5 | 0 | 0 | 0 | 114.5 | P312 | P312-L314 PolarHBondContact O-N 2.82Š|
| 315 | D | 44.6 | Very low | 53.9 | Low | 115 Ų | 115 | 107.2 Ų | 107.2 | 62% | 0.615 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -109.6 | -1.4 | -171.4 | -61.4 | -23.7 | 0 | 0 | 0 | 114.6 | I313 S318 H319 | I313-D315 PolarHBondContact O-N 3.06Å; D315-S318 WeakPolarHBondContact CA-OG 3.35Å; D315-S318 PolarHBondContact O-N 3.43Å; D315-S318 PolarHBondContact O-OG 3.3Å; D315-H319 PolarHBondContact O-N 3.43Å |
| 316 | A | 47.6 | Very low | 54.6 | Low | 58 Ų | 58 | 108.1 Ų | 108.1 | 48% | 0.479 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -70.4 | -39 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | S318 H319 V320 | A316-S318 VanDerWaalsContact C-N 3.31Å; A316-S318 PolarHBondContact O-N 3.36Å; A316-H319 PolarHBondContact O-N 3.02Å; A316-V320 WeakPolarHBondContact O-CG2 3.49Å; A316-V320 PolarHBondContact O-N 3.37Å |
| 317 | S | 52.1 | Low | 54.9 | Low | 83 Ų | 83 | 109.3 Ų | 109.3 | 58% | 0.58 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.1 | -37.3 | 174.8 | -78.2 | 0 | 0 | 0 | 0 | 112 | Q321 | S317-Q321 VanDerWaalsContact O-CB 3.28Å; S317-Q321 WeakPolarHBondContact O-CB 3.42Å; S317-Q321 WeakPolarHBondContact O-CG 3.49Å; S317-Q321 PolarHBondContact O-N 3.17Å; S317-Q321 PolarHBondContact O-OE1 2.76Å |
| 318 | S | 57.5 | Low | 55.8 | Low | 54 Ų | 54 | 109.1 Ų | 109.1 | 38% | 0.378 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.9 | -38.2 | 174.3 | 50 | 0 | 0 | 0 | 0 | 112.2 | D315 A316 Q321 Q322 | D315-S318 WeakPolarHBondContact CA-OG 3.35Å; D315-S318 PolarHBondContact O-N 3.43Å; D315-S318 PolarHBondContact O-OG 3.3Å; A316-S318 VanDerWaalsContact C-N 3.31Å; A316-S318 PolarHBondContact O-N 3.36Å; S318-Q321 PolarHBondContact O-N 2.83Å; S318-Q322 WeakPolarHBondContact O-CB 3.22Å; S318-Q322 PolarHBondContact O-N 3.03Å |
| 319 | H | 62.4 | Low | 56.6 | Low | 116 Ų | 116 | 109 Ų | 109 | 54% | 0.537 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.4 | -42.7 | 177.7 | -168.1 | -84.1 | 0 | 0 | 0 | 111.6 | D315 A316 Q322 E323 | D315-H319 PolarHBondContact O-N 3.43Å; A316-H319 PolarHBondContact O-N 3.02Å; H319-Q322 PolarHBondContact O-N 2.82Å; H319-E323 WeakPolarHBondContact O-CB 3.48Å; H319-E323 PolarHBondContact O-N 3.42Å |
| 320 | V | 63.8 | Low | 57.5 | Low | 90 Ų | 90 | 107 Ų | 107 | 55% | 0.545 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.2 | -44.5 | 174.5 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | A316 Q322 E323 V324 | A316-V320 WeakPolarHBondContact O-CG2 3.49Å; A316-V320 PolarHBondContact O-N 3.37Å; V320-Q322 VanDerWaalsContact C-N 3.33Å; V320-Q322 PolarHBondContact O-N 3Å; V320-E323 PolarHBondContact O-N 2.88Å; V320-V324 HydrophobicContact CG1-CG2 4.27Å; V320-V324 WeakPolarHBondContact O-CB 3.5Å; V320-V324 VanDerWaalsContact O-CG2 3.23Å; V320-V324 WeakPolarHBondContact O-CG2 3.49Å; V320-V324 PolarHBondContact O-N 2.97Å |
| 321 | Q | 60.5 | Low | 58.5 | Low | 126 Ų | 126 | 100.1 Ų | 100.1 | 59% | 0.589 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.9 | -36.5 | 176.4 | -77.2 | 163.9 | -3.7 | 0 | 0 | 112.4 | S317 S318 S325 | S317-Q321 VanDerWaalsContact O-CB 3.28Å; S317-Q321 WeakPolarHBondContact O-CB 3.42Å; S317-Q321 WeakPolarHBondContact O-CG 3.49Å; S317-Q321 PolarHBondContact O-N 3.17Å; S317-Q321 PolarHBondContact O-OE1 2.76Å; S318-Q321 PolarHBondContact O-N 2.83Å; Q321-S325 VanDerWaalsContact O-CB 3.25Å; Q321-S325 WeakPolarHBondContact O-CB 3.46Å; Q321-S325 PolarHBondContact O-N 3.49Å; Q321-S325 PolarHBondContact O-OG 3.06Å |
| 322 | Q | 71 | Confident | 59.8 | Low | 116 Ų | 116 | 97.6 Ų | 97.6 | 54% | 0.542 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 175.8 | -174.3 | 169.1 | -1.1 | 0 | 0 | 111 | S318 H319 V320 S325 R326 | S318-Q322 WeakPolarHBondContact O-CB 3.22Å; S318-Q322 PolarHBondContact O-N 3.03Å; H319-Q322 PolarHBondContact O-N 2.82Å; V320-Q322 VanDerWaalsContact C-N 3.33Å; V320-Q322 PolarHBondContact O-N 3Å; Q322-S325 WeakPolarHBondContact O-CB 3.28Å; Q322-S325 PolarHBondContact O-N 3.15Å; Q322-R326 WeakPolarHBondContact O-CB 3.23Å; Q322-R326 PolarHBondContact O-N 3.37Å |
| 323 | E | 65.6 | Low | 61.4 | Low | 59 Ų | 59 | 96.1 Ų | 96.1 | 28% | 0.276 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -77 | -35.4 | 179.4 | -114.7 | 37.6 | -178.8 | 0 | 0 | 113.7 | H319 V320 S325 R326 I327 | H319-E323 WeakPolarHBondContact O-CB 3.48Å; H319-E323 PolarHBondContact O-N 3.42Å; V320-E323 PolarHBondContact O-N 2.88Å; E323-S325 VanDerWaalsContact C-N 3.35Å; E323-R326 WeakPolarHBondContact O-CB 3.33Å; E323-R326 PolarHBondContact O-N 3.25Å; E323-R326 IonicContact OE1-CZ 3.23Å; E323-R326 IonicContact OE1-NH1 3.87Å; E323-R326 PolarHBondContact OE1-NH1 3Å; E323-R326 VanDerWaalsContact OE2-CD 3.29Å; E323-R326 WeakPolarHBondContact OE2-CD 3.21Å; E323-R326 IonicContact OE2-NH1 2.83Å; E323-I327 WeakPolarHBondContact O-CD1 3.34Å; E323-I327 VanDerWaalsContact O-CG1 3.24Å; E323-I327 WeakPolarHBondContact O-CG1 3.42Å; E323-I327 PolarHBondContact O-N 3.15Å |
| 324 | V | 67.5 | Low | 62.7 | Low | 68 Ų | 68 | 93.3 Ų | 93.3 | 41% | 0.412 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.2 | -48.8 | 166.5 | 171.4 | 0 | 0 | 0 | 0 | 109.8 | V320 R326 I327 E328 | V320-V324 HydrophobicContact CG1-CG2 4.27Å; V320-V324 WeakPolarHBondContact O-CB 3.5Å; V320-V324 VanDerWaalsContact O-CG2 3.23Å; V320-V324 WeakPolarHBondContact O-CG2 3.49Å; V320-V324 PolarHBondContact O-N 2.97Å; V324-R326 PolarHBondContact O-N 2.91Å; V324-I327 PolarHBondContact O-N 2.75Å; V324-E328 HydrophobicContact CG1-CG 4.39Å; V324-E328 WeakPolarHBondContact O-CB 3.42Å; V324-E328 WeakPolarHBondContact O-CG 3.37Å; V324-E328 PolarHBondContact O-N 3.22Å |
| 325 | S | 65 | Low | 63.3 | Low | 38 Ų | 38 | 89.8 Ų | 89.8 | 27% | 0.266 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.1 | -32.7 | 177.3 | -57.6 | 0 | 0 | 0 | 0 | 112.4 | Q321 Q322 E323 R329 | Q321-S325 VanDerWaalsContact O-CB 3.25Å; Q321-S325 WeakPolarHBondContact O-CB 3.46Å; Q321-S325 PolarHBondContact O-N 3.49Å; Q321-S325 PolarHBondContact O-OG 3.06Å; Q322-S325 WeakPolarHBondContact O-CB 3.28Å; Q322-S325 PolarHBondContact O-N 3.15Å; E323-S325 VanDerWaalsContact C-N 3.35Å; S325-R329 WeakPolarHBondContact O-CB 3.4Å; S325-R329 VanDerWaalsContact O-CG 3.23Å; S325-R329 WeakPolarHBondContact O-CG 3.38Å; S325-R329 PolarHBondContact O-N 3.18Å |
| 326 | R | 71.9 | Confident | 64.5 | Low | 153 Ų | 153 | 90.4 Ų | 90.4 | 58% | 0.577 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -70.7 | -40.4 | 177.6 | -157.8 | 179.6 | -160.5 | 164.3 | 6 | 111.4 | Q322 E323 V324 R329 S330 | Q322-R326 WeakPolarHBondContact O-CB 3.23Å; Q322-R326 PolarHBondContact O-N 3.37Å; E323-R326 WeakPolarHBondContact O-CB 3.33Å; E323-R326 PolarHBondContact O-N 3.25Å; E323-R326 IonicContact OE1-CZ 3.23Å; E323-R326 IonicContact OE1-NH1 3.87Å; E323-R326 PolarHBondContact OE1-NH1 3Å; E323-R326 VanDerWaalsContact OE2-CD 3.29Å; E323-R326 WeakPolarHBondContact OE2-CD 3.21Å; E323-R326 IonicContact OE2-NH1 2.83Å; V324-R326 PolarHBondContact O-N 2.91Å; R326-R329 PolarHBondContact O-N 3.5Å; R326-S330 PolarHBondContact O-N 3.17Å |
| 327 | I | 59.4 | Low | 65.6 | Low | 103 Ų | 103 | 92.1 Ų | 92.1 | 53% | 0.528 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.2 | -41.4 | 174.4 | -65.7 | 163.7 | 0 | 0 | 0 | 110.5 | E323 V324 R329 S330 T331 | E323-I327 WeakPolarHBondContact O-CD1 3.34Å; E323-I327 VanDerWaalsContact O-CG1 3.24Å; E323-I327 WeakPolarHBondContact O-CG1 3.42Å; E323-I327 PolarHBondContact O-N 3.15Å; V324-I327 PolarHBondContact O-N 2.75Å; I327-R329 VanDerWaalsContact C-N 3.34Å; I327-R329 PolarHBondContact O-N 3.35Å; I327-S330 PolarHBondContact O-N 3.41Å; I327-S330 PolarHBondContact O-OG 2.96Å; I327-T331 HydrophobicContact CG2-CG2 4.3Å; I327-T331 WeakPolarHBondContact O-CB 3.23Å; I327-T331 VanDerWaalsContact O-CG2 3.32Å; I327-T331 WeakPolarHBondContact O-CG2 3.28Å; I327-T331 PolarHBondContact O-N 3.49Å; I327-T331 PolarHBondContact O-OG1 3.04Å |
| 328 | E | 72.3 | Confident | 66.1 | Low | 119 Ų | 119 | 92.6 Ų | 92.6 | 56% | 0.556 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62 | -40.4 | 175.1 | -73.8 | 177.3 | 171.3 | 0 | 0 | 111.8 | V324 T331 S332 | V324-E328 HydrophobicContact CG1-CG 4.39Å; V324-E328 WeakPolarHBondContact O-CB 3.42Å; V324-E328 WeakPolarHBondContact O-CG 3.37Å; V324-E328 PolarHBondContact O-N 3.22Å; E328-T331 WeakPolarHBondContact CA-OG1 3.29Å; E328-T331 PolarHBondContact O-OG1 3.02Å; E328-S332 WeakPolarHBondContact O-CB 3.4Å; E328-S332 PolarHBondContact O-N 3.42Å; E328-S332 PolarHBondContact O-OG 3.01Å |
| 329 | R | 68.4 | Low | 66.8 | Low | 145 Ų | 145 | 94.1 Ų | 94.1 | 55% | 0.547 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.4 | -37.6 | 173.3 | -71 | 178.5 | -141.4 | 120.9 | -0.6 | 113 | S325 R326 I327 S332 N333 | S325-R329 WeakPolarHBondContact O-CB 3.4Å; S325-R329 VanDerWaalsContact O-CG 3.23Å; S325-R329 WeakPolarHBondContact O-CG 3.38Å; S325-R329 PolarHBondContact O-N 3.18Å; R326-R329 PolarHBondContact O-N 3.5Å; I327-R329 VanDerWaalsContact C-N 3.34Å; I327-R329 PolarHBondContact O-N 3.35Å; R329-S332 PolarHBondContact O-OG 3.35Å; R329-N333 WeakPolarHBondContact O-CB 3.24Å; R329-N333 PolarHBondContact O-N 2.87Å; R329-N333 VanDerWaalsContact O-N 3.08Å; R329-N333 PolarHBondContact O-ND2 3.09Å |
| 330 | S | 64.2 | Low | 67.2 | Low | 62 Ų | 62 | 91 Ų | 91 | 43% | 0.434 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.8 | -40.9 | 178.8 | 76.5 | 0 | 0 | 0 | 0 | 111.3 | R326 I327 N333 V334 | R326-S330 PolarHBondContact O-N 3.17Å; I327-S330 PolarHBondContact O-N 3.41Å; I327-S330 PolarHBondContact O-OG 2.96Å; S330-N333 PolarHBondContact O-N 3.42Å; S330-V334 WeakPolarHBondContact O-CG2 3.38Å; S330-V334 PolarHBondContact O-N 3.44Å |
| 331 | T | 62.2 | Low | 67.4 | Low | 75 Ų | 75 | 93.1 Ų | 93.1 | 46% | 0.46 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.2 | -36.9 | 175.8 | 53.3 | 0 | 0 | 0 | 0 | 112.4 | I327 E328 V334 T335 | I327-T331 HydrophobicContact CG2-CG2 4.3Å; I327-T331 WeakPolarHBondContact O-CB 3.23Å; I327-T331 VanDerWaalsContact O-CG2 3.32Å; I327-T331 WeakPolarHBondContact O-CG2 3.28Å; I327-T331 PolarHBondContact O-N 3.49Å; I327-T331 PolarHBondContact O-OG1 3.04Å; E328-T331 WeakPolarHBondContact CA-OG1 3.29Å; E328-T331 PolarHBondContact O-OG1 3.02Å; T331-V334 PolarHBondContact O-N 3.39Å; T331-T335 WeakPolarHBondContact O-CB 3.03Å; T331-T335 PolarHBondContact O-N 2.95Å; T331-T335 PolarHBondContact O-OG1 3.44Å |
| 332 | S | 69.3 | Low | 67.2 | Low | 42 Ų | 42 | 93.4 Ų | 93.4 | 29% | 0.294 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.1 | -39.4 | 173.5 | 76.6 | 0 | 0 | 0 | 0 | 112.2 | E328 R329 T335 Q336 | E328-S332 WeakPolarHBondContact O-CB 3.4Å; E328-S332 PolarHBondContact O-N 3.42Å; E328-S332 PolarHBondContact O-OG 3.01Å; R329-S332 PolarHBondContact O-OG 3.35Å; S332-T335 VanDerWaalsContact CA-OG1 3.29Å; S332-T335 WeakPolarHBondContact CA-OG1 3.41Å; S332-T335 PolarHBondContact O-N 3.04Å; S332-T335 PolarHBondContact O-OG1 3.09Å; S332-Q336 WeakPolarHBondContact O-CB 3.4Å; S332-Q336 VanDerWaalsContact O-CG 3.24Å; S332-Q336 WeakPolarHBondContact O-CG 3.41Å; S332-Q336 PolarHBondContact O-N 3.11Å |
| 333 | N | 71.6 | Confident | 66.8 | Low | 93 Ų | 93 | 93.5 Ų | 93.5 | 50% | 0.497 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 175.9 | -69.8 | -17.2 | 0 | 0 | 0 | 112.1 | R329 S330 T337 | R329-N333 WeakPolarHBondContact O-CB 3.24Å; R329-N333 PolarHBondContact O-N 2.87Å; R329-N333 VanDerWaalsContact O-N 3.08Å; R329-N333 PolarHBondContact O-ND2 3.09Å; S330-N333 PolarHBondContact O-N 3.42Å; N333-T337 WeakPolarHBondContact O-CB 3.18Å; N333-T337 PolarHBondContact O-N 3.48Å; N333-T337 PolarHBondContact O-OG1 3.45Å |
| 334 | V | 70.2 | Confident | 66.6 | Low | 90 Ų | 90 | 97.1 Ų | 97.1 | 55% | 0.545 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65 | -44.6 | 177.4 | 173.3 | 0 | 0 | 0 | 0 | 111 | S330 T331 T337 L338 | S330-V334 WeakPolarHBondContact O-CG2 3.38Å; S330-V334 PolarHBondContact O-N 3.44Å; T331-V334 PolarHBondContact O-N 3.39Å; V334-T337 PolarHBondContact O-N 3.37Å; V334-L338 HydrophobicContact CG1-CD1 4.27Å; V334-L338 WeakPolarHBondContact O-CG 3.43Å; V334-L338 PolarHBondContact O-N 3.08Å |
| 335 | T | 62.8 | Low | 65.7 | Low | 80 Ų | 80 | 100.4 Ų | 100.4 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.1 | -43.6 | 177.8 | 42.4 | 0 | 0 | 0 | 0 | 112.1 | T331 S332 T337 L338 V339 | T331-T335 WeakPolarHBondContact O-CB 3.03Å; T331-T335 PolarHBondContact O-N 2.95Å; T331-T335 PolarHBondContact O-OG1 3.44Å; S332-T335 VanDerWaalsContact CA-OG1 3.29Å; S332-T335 WeakPolarHBondContact CA-OG1 3.41Å; S332-T335 PolarHBondContact O-N 3.04Å; S332-T335 PolarHBondContact O-OG1 3.09Å; T335-T337 VanDerWaalsContact C-N 3.35Å; T335-T337 PolarHBondContact O-N 3.38Å; T335-L338 PolarHBondContact O-N 3.35Å; T335-V339 WeakPolarHBondContact O-CG2 3.41Å; T335-V339 PolarHBondContact O-N 3.31Å |
| 336 | Q | 69.2 | Low | 65 | Low | 128 Ų | 128 | 106 Ų | 106 | 60% | 0.598 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.1 | -40.6 | 174.2 | -74.6 | 176.4 | 20.8 | 0 | 0 | 112.5 | S332 L338 V339 A340 | S332-Q336 WeakPolarHBondContact O-CB 3.4Å; S332-Q336 VanDerWaalsContact O-CG 3.24Å; S332-Q336 WeakPolarHBondContact O-CG 3.41Å; S332-Q336 PolarHBondContact O-N 3.11Å; Q336-L338 VanDerWaalsContact C-N 3.32Å; Q336-L338 PolarHBondContact O-N 2.8Å; Q336-V339 PolarHBondContact O-N 2.96Å; Q336-A340 WeakPolarHBondContact O-CB 3.23Å; Q336-A340 PolarHBondContact O-N 3.01Å |
| 337 | T | 70.5 | Confident | 63.8 | Low | 94 Ų | 94 | 102.7 Ų | 102.7 | 58% | 0.577 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.5 | -41.6 | 177 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | N333 V334 T335 K341 | N333-T337 WeakPolarHBondContact O-CB 3.18Å; N333-T337 PolarHBondContact O-N 3.48Å; N333-T337 PolarHBondContact O-OG1 3.45Å; V334-T337 PolarHBondContact O-N 3.37Å; T335-T337 VanDerWaalsContact C-N 3.35Å; T335-T337 PolarHBondContact O-N 3.38Å; T337-K341 WeakPolarHBondContact O-CB 3.36Å; T337-K341 PolarHBondContact O-N 3.49Å |
| 338 | L | 63.6 | Low | 63 | Low | 94 Ų | 94 | 100.9 Ų | 100.9 | 49% | 0.492 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.8 | -48.8 | 174.8 | -76.6 | 168.8 | 0 | 0 | 0 | 111.2 | V334 T335 Q336 A340 K341 F342 | V334-L338 HydrophobicContact CG1-CD1 4.27Å; V334-L338 WeakPolarHBondContact O-CG 3.43Å; V334-L338 PolarHBondContact O-N 3.08Å; T335-L338 PolarHBondContact O-N 3.35Å; Q336-L338 VanDerWaalsContact C-N 3.32Å; Q336-L338 PolarHBondContact O-N 2.8Å; L338-A340 VanDerWaalsContact C-N 3.35Å; L338-A340 PolarHBondContact O-N 2.98Å; L338-K341 WeakPolarHBondContact O-CB 3.35Å; L338-K341 PolarHBondContact O-N 3.21Å; L338-K341 VanDerWaalsContact O-N 3.14Å; L338-F342 HydrophobicContact CB-CE2 4.36Å; L338-F342 WeakPolarHBondContact O-CD2 3.09Å; L338-F342 PolarHBondContact O-N 2.87Å |
| 339 | V | 72.4 | Confident | 61.4 | Low | 86 Ų | 86 | 101.5 Ų | 101.5 | 52% | 0.521 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -58.5 | -45.7 | 178.5 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | T335 Q336 K341 F342 Q343 | T335-V339 WeakPolarHBondContact O-CG2 3.41Å; T335-V339 PolarHBondContact O-N 3.31Å; Q336-V339 PolarHBondContact O-N 2.96Å; V339-K341 VanDerWaalsContact C-N 3.32Å; V339-K341 PolarHBondContact O-N 2.96Å; V339-F342 PolarHBondContact O-N 2.91Å; V339-Q343 WeakPolarHBondContact O-CB 3.49Å; V339-Q343 PolarHBondContact O-N 3.06Å |
| 340 | A | 70 | Confident | 59.8 | Low | 49 Ų | 49 | 102.2 Ų | 102.2 | 41% | 0.405 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60 | -42.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q336 L338 F342 Q343 E344 | Q336-A340 WeakPolarHBondContact O-CB 3.23Å; Q336-A340 PolarHBondContact O-N 3.01Å; L338-A340 VanDerWaalsContact C-N 3.35Å; L338-A340 PolarHBondContact O-N 2.98Å; A340-F342 VanDerWaalsContact C-N 3.33Å; A340-F342 PolarHBondContact O-N 3.1Å; A340-Q343 PolarHBondContact O-N 3.26Å; A340-E344 WeakPolarHBondContact O-CG 3.37Å; A340-E344 PolarHBondContact O-N 3.34Å |
| 341 | K | 68.2 | Low | 58.2 | Low | 135 Ų | 135 | 103.7 Ų | 103.7 | 59% | 0.587 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.1 | -39.5 | 176.1 | -153 | 103.1 | -175.2 | 179.7 | 0 | 112.3 | T337 L338 V339 L345 | T337-K341 WeakPolarHBondContact O-CB 3.36Å; T337-K341 PolarHBondContact O-N 3.49Å; L338-K341 WeakPolarHBondContact O-CB 3.35Å; L338-K341 PolarHBondContact O-N 3.21Å; L338-K341 VanDerWaalsContact O-N 3.14Å; V339-K341 VanDerWaalsContact C-N 3.32Å; V339-K341 PolarHBondContact O-N 2.96Å; K341-L345 WeakPolarHBondContact O-CG 3.49Å; K341-L345 PolarHBondContact O-N 2.7Å |
| 342 | F | 55.6 | Low | 56.8 | Low | 133 Ų | 133 | 106.6 Ų | 106.6 | 58% | 0.583 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.8 | -39.5 | 174.6 | -77 | -68.1 | 0 | 0 | 0 | 111.5 | L338 V339 A340 L345 E346 | L338-F342 HydrophobicContact CB-CE2 4.36Å; L338-F342 WeakPolarHBondContact O-CD2 3.09Å; L338-F342 PolarHBondContact O-N 2.87Å; V339-F342 PolarHBondContact O-N 2.91Å; A340-F342 VanDerWaalsContact C-N 3.33Å; A340-F342 PolarHBondContact O-N 3.1Å; F342-L345 WeakPolarHBondContact O-CB 3.24Å; F342-L345 PolarHBondContact O-N 3.13Å; F342-E346 PolarHBondContact O-N 3.29Å |
| 343 | Q | 63.9 | Low | 54.7 | Low | 117 Ų | 117 | 109.5 Ų | 109.5 | 55% | 0.547 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -72.8 | -29.6 | -179.7 | -161.9 | 158.2 | -6.8 | 0 | 0 | 113.1 | V339 A340 L345 E346 S347 | V339-Q343 WeakPolarHBondContact O-CB 3.49Å; V339-Q343 PolarHBondContact O-N 3.06Å; A340-Q343 PolarHBondContact O-N 3.26Å; Q343-L345 VanDerWaalsContact C-N 3.33Å; Q343-E346 PolarHBondContact O-N 2.78Å; Q343-S347 WeakPolarHBondContact O-CB 3.41Å; Q343-S347 PolarHBondContact O-N 3.17Å; Q343-S347 PolarHBondContact O-OG 2.89Å |
| 344 | E | 60.2 | Low | 52.6 | Low | 136 Ų | 136 | 111.7 Ų | 111.7 | 64% | 0.636 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.2 | -37.5 | 167.9 | -76.4 | -179.7 | 172.4 | 0 | 0 | 112 | A340 E346 S347 | A340-E344 WeakPolarHBondContact O-CG 3.37Å; A340-E344 PolarHBondContact O-N 3.34Å; E344-E346 VanDerWaalsContact C-N 3.31Å; E344-E346 PolarHBondContact O-N 3Å; E344-S347 PolarHBondContact O-N 2.91Å |
| 345 | L | 49.9 | Very low | 50.6 | Low | 137 Ų | 137 | 115.6 Ų | 115.6 | 72% | 0.717 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -67.1 | -32.9 | 175.9 | -71.2 | 167.7 | 0 | 0 | 0 | 112.1 | K341 F342 Q343 | K341-L345 WeakPolarHBondContact O-CG 3.49Å; K341-L345 PolarHBondContact O-N 2.7Å; F342-L345 WeakPolarHBondContact O-CB 3.24Å; F342-L345 PolarHBondContact O-N 3.13Å; Q343-L345 VanDerWaalsContact C-N 3.33Å |
| 346 | E | 49 | Very low | 49 | Very low | 156 Ų | 156 | 118.3 Ų | 118.3 | 73% | 0.729 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -77.7 | -27.8 | 176.3 | -66.7 | -173.4 | 161.5 | 0 | 0 | 112.9 | F342 Q343 E344 G348 | F342-E346 PolarHBondContact O-N 3.29Å; Q343-E346 PolarHBondContact O-N 2.78Å; E344-E346 VanDerWaalsContact C-N 3.31Å; E344-E346 PolarHBondContact O-N 3Å; E346-G348 PolarHBondContact O-N 3.25Å |
| 347 | S | 47.3 | Very low | 47.1 | Very low | 82 Ų | 82 | 117.3 Ų | 117.3 | 57% | 0.573 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 3.9 | -178.7 | -52.9 | 0 | 0 | 0 | 0 | 113.6 | Q343 E344 N349 | Q343-S347 WeakPolarHBondContact O-CB 3.41Å; Q343-S347 PolarHBondContact O-N 3.17Å; Q343-S347 PolarHBondContact O-OG 2.89Å; E344-S347 PolarHBondContact O-N 2.91Å; S347-N349 PolarHBondContact O-N 3.49Å |
| 348 | G | 43 | Very low | 44.8 | Very low | 65 Ų | 65 | 120.1 Ų | 120.1 | 67% | 0.67 | 67% | 0.674 | S | S | * | * | trans | -68.5 | 49 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E346 | E346-G348 PolarHBondContact O-N 3.25Š| ||
| 349 | N | 37.9 | Very low | 43.1 | Very low | 132 Ų | 132 | 121.3 Ų | 121.3 | 71% | 0.706 | 69% | 0.687 | S | S | * | * | trans | -81.6 | 110.9 | 158.8 | -71.8 | -39.5 | 0 | 0 | 0 | 106.6 | S347 | S347-N349 PolarHBondContact O-N 3.49Š| ||
| 350 | N | 35.7 | Very low | 41 | Very low | 160 Ų | 160 | 124.5 Ų | 124.5 | 86% | 0.856 | 70% | 0.696 | S | S | * | * | trans | -179.9 | 110.7 | 140 | -82.8 | -26.6 | 0 | 0 | 0 | 111.3 | ||||
| 351 | A | 30.8 | Very low | 39 | Very low | 94 Ų | 94 | 129.1 Ų | 129.1 | 78% | 0.777 | 71% | 0.714 | S | S | * | * | trans | 58.5 | 93.5 | 143.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 352 | T | 31.6 | Very low | 37.1 | Very low | 136 Ų | 136 | 131 Ų | 131 | 83% | 0.834 | 73% | 0.725 | S | S | * | * | -138 | 99.2 | 124.8 | 1.1 | 0 | 0 | 0 | 0 | 109.2 | I354 | T352-I354 PolarHBondContact O-N 3.43Š| |||
| 353 | S | 25 | Very low | 35.9 | Very low | 102 Ų | 102 | 129.6 Ų | 129.6 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | trans | -57.5 | 99.2 | 168.5 | -173.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 354 | I | 28.1 | Very low | 34.3 | Very low | 139 Ų | 139 | 130.2 Ų | 130.2 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | trans | -109.3 | 84.9 | 159.4 | -57.9 | -175.5 | 0 | 0 | 0 | 105.7 | T352 N356 | T352-I354 PolarHBondContact O-N 3.43Å; I354-N356 PolarHBondContact O-N 2.97Å; I354-N356 VanDerWaalsContact O-N 3.1Å | ||
| 355 | Q | 27.2 | Very low | 32.7 | Very low | 172 Ų | 172 | 131.2 Ų | 131.2 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | -61.3 | 104.6 | 160.5 | -69.4 | 177.1 | -42.5 | 0 | 0 | 107.2 | ||||
| 356 | N | 30.2 | Very low | 31.5 | Very low | 137 Ų | 137 | 135.1 Ų | 135.1 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | trans | -140.9 | 104.8 | 158 | -86.1 | -38.1 | 0 | 0 | 0 | 108.8 | I354 | I354-N356 PolarHBondContact O-N 2.97Å; I354-N356 VanDerWaalsContact O-N 3.1Å | ||
| 357 | S | 28.6 | Very low | 30.3 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | trans | 0.7 | 117.2 | 160.8 | 53.3 | 0 | 0 | 0 | 0 | 117.4 | P359 | S357-P359 VanDerWaalsContact O-CD 3.31Å; S357-P359 WeakPolarHBondContact O-CD 3.49Å | ||
| 358 | L | 23.3 | Very low | 29.2 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 80% | 0.801 | 76% | 0.763 | S | S | * | * | trans | -67.4 | 119.5 | 165.3 | -170.8 | 76.1 | 0 | 0 | 0 | 111.2 | Q360 | L358-Q360 HydrophobicContact CD2-CG 4.49Š| ||
| 359 | P | 27.4 | Very low | 28.3 | Very low | 120 Ų | 120 | 146.3 Ų | 146.3 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | trans | -95.1 | 115 | 157 | 2.7 | 19 | 0 | 0 | 0 | 108 | S357 | S357-P359 VanDerWaalsContact O-CD 3.31Å; S357-P359 WeakPolarHBondContact O-CD 3.49Å | ||
| 360 | Q | 27.6 | Very low | 27.7 | Very low | 153 Ų | 153 | 146.1 Ų | 146.1 | 72% | 0.715 | 77% | 0.772 | S | S | * | * | trans | -62.2 | 150.3 | 168.5 | -67.2 | 175.4 | -22.2 | 0 | 0 | 110.7 | L358 | L358-Q360 HydrophobicContact CD2-CG 4.49Š| ||
| 361 | N | 29.2 | Very low | 27.3 | Very low | 146 Ų | 146 | 143.8 Ų | 143.8 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | trans | 75.7 | 83.5 | 158.9 | -56 | -49.1 | 0 | 0 | 0 | 117.6 | ||||
| 362 | Q | 27.4 | Very low | 27.3 | Very low | 173 Ų | 173 | 144.5 Ų | 144.5 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | trans | -134.6 | 125.3 | 141.3 | -98 | 178 | -0.9 | 0 | 0 | 110.6 | ||||
| 363 | P | 29.9 | Very low | 27.4 | Very low | 104 Ų | 104 | 145.4 Ų | 145.4 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | trans | -66.3 | 163.1 | 178.5 | -11.2 | 25.5 | 0 | 0 | 0 | 112 | H365 | P363-H365 PolarHBondContact O-N 2.8Š| ||
| 364 | P | 30.8 | Very low | 28 | Very low | 131 Ų | 131 | 146.9 Ų | 146.9 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | trans | -65.5 | 108.9 | -170.3 | 27 | -32.5 | 0 | 0 | 0 | 110.6 | R366 | P364-R366 PolarHBondContact O-N 3.3Š| ||
| 365 | H | 26.7 | Very low | 28.3 | Very low | 157 Ų | 157 | 141.1 Ų | 141.1 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | trans | -64.5 | 110.8 | 169.3 | -93 | -96.5 | 0 | 0 | 0 | 109 | P363 I367 | P363-H365 PolarHBondContact O-N 2.8Å; H365-I367 PolarHBondContact O-N 2.88Å | ||
| 366 | R | 24.3 | Very low | 28.8 | Very low | 218 Ų | 218 | 137 Ų | 137 | 82% | 0.823 | 73% | 0.725 | S | S | * | * | trans | -40.5 | 104.1 | 164.3 | -171.3 | 175.8 | -173.6 | 159.1 | 0.6 | 109.4 | P364 Y368 | P364-R366 PolarHBondContact O-N 3.3Å; R366-Y368 PolarHBondContact O-N 3.42Å | ||
| 367 | I | 24.9 | Very low | 29 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 77% | 0.769 | 72% | 0.717 | S | S | * | * | trans | -61.5 | 106.3 | 178.2 | -59.2 | -72.4 | 0 | 0 | 0 | 107.5 | H365 F369 | H365-I367 PolarHBondContact O-N 2.88Å; I367-F369 PolarHBondContact O-N 3.17Å | ||
| 368 | Y | 23.5 | Very low | 29.4 | Very low | 187 Ų | 187 | 131.5 Ų | 131.5 | 73% | 0.733 | 69% | 0.694 | S | S | * | * | trans | -66.5 | 125.7 | 162.5 | -92.3 | -97.6 | 0 | 0 | 0 | 107.7 | R366 N370 | R366-Y368 PolarHBondContact O-N 3.42Å; Y368-N370 PolarHBondContact O-N 3.08Å | ||
| 369 | F | 23.8 | Very low | 30.5 | Very low | 201 Ų | 201 | 129.4 Ų | 129.4 | 88% | 0.882 | 70% | 0.698 | S | S | * | * | trans | -61.2 | 87.5 | 163.4 | -83.6 | -93.2 | 0 | 0 | 0 | 108.4 | I367 S371 | I367-F369 PolarHBondContact O-N 3.17Å; F369-S371 PolarHBondContact O-N 2.95Å | ||
| 370 | N | 25.8 | Very low | 31.2 | Very low | 129 Ų | 129 | 130.3 Ų | 130.3 | 69% | 0.69 | 70% | 0.697 | S | S | * | * | trans | -90.8 | 100.7 | 166.8 | -75.8 | -8.6 | 0 | 0 | 0 | 107.4 | Y368 T372 | Y368-N370 PolarHBondContact O-N 3.08Å; N370-T372 VanDerWaalsContact C-N 3.31Å; N370-T372 PolarHBondContact O-N 3.24Å | ||
| 371 | S | 27.8 | Very low | 31.9 | Very low | 110 Ų | 110 | 125.3 Ų | 125.3 | 77% | 0.769 | 69% | 0.686 | S | S | * | * | trans | -58.4 | 87.2 | 171.9 | -56.1 | 0 | 0 | 0 | 0 | 111 | F369 | F369-S371 PolarHBondContact O-N 2.95Š| ||
| 372 | T | 30.7 | Very low | 32.4 | Very low | 109 Ų | 109 | 123.3 Ų | 123.3 | 67% | 0.669 | 68% | 0.675 | S | S | * | * | trans | -133.1 | 62.1 | 163.7 | 51.7 | 0 | 0 | 0 | 0 | 109.1 | N370 T374 | N370-T372 VanDerWaalsContact C-N 3.31Å; N370-T372 PolarHBondContact O-N 3.24Å; T372-T374 PolarHBondContact O-N 2.79Å | ||
| 373 | H | 34.3 | Very low | 33.5 | Very low | 156 Ų | 156 | 119.2 Ų | 119.2 | 72% | 0.722 | 66% | 0.662 | S | S | * | * | trans | -65.3 | 80.3 | 165.2 | -82.1 | -91.3 | 0 | 0 | 0 | 109.4 | G375 | H373-G375 VanDerWaalsContact C-N 3.25Å; H373-G375 PolarHBondContact O-N 2.79Å | ||
| 374 | T | 37.2 | Very low | 34.3 | Very low | 133 Ų | 133 | 117.7 Ų | 117.7 | 82% | 0.816 | 65% | 0.645 | S | S | * | * | trans | -96 | 60.8 | 165.7 | 50.3 | 0 | 0 | 0 | 0 | 107.8 | T372 | T372-T374 PolarHBondContact O-N 2.79Š| ||
| 375 | G | 34.3 | Very low | 35.5 | Very low | 18 Ų | 18 | 114.3 Ų | 114.3 | 19% | 0.186 | 62% | 0.623 | C | S | . | * | P | Polyproline II helix | trans | -67.7 | 151.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109 | H373 T377 | H373-G375 VanDerWaalsContact C-N 3.25Å; H373-G375 PolarHBondContact O-N 2.79Å; G375-T377 PolarHBondContact O-N 3.2Å |
| 376 | P | 37.7 | Very low | 36.7 | Very low | 86 Ų | 86 | 110.1 Ų | 110.1 | 56% | 0.558 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 131.5 | 171.8 | 23.2 | -30.9 | 0 | 0 | 0 | 108.4 | F384 | P376-F384 VanDerWaalsContact O-CD2 3.25Å; P376-F384 WeakPolarHBondContact O-CD2 3.35Å; P376-F384 PolarHBondContact O-N 3.36Å |
| 377 | T | 33.4 | Very low | 38.5 | Very low | 91 Ų | 91 | 104 Ų | 104 | 56% | 0.558 | 60% | 0.602 | S | S | * | * | B | Isolated β-bridge | trans | -94.8 | 142.1 | 177.4 | 33.4 | 0 | 0 | 0 | 0 | 109.7 | G375 D382 V383 | G375-T377 PolarHBondContact O-N 3.2Å; T377-D382 WeakPolarHBondContact CA-O 3.29Å; T377-V383 HydrophobicContact CG2-CG2 4.24Å |
| 378 | S | 38.2 | Very low | 40.8 | Very low | 36 Ų | 36 | 98.9 Ų | 98.9 | 25% | 0.252 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 161.5 | 164.1 | 175.6 | 0 | 0 | 0 | 0 | 110.5 | N380 G381 D382 | S378-N380 PolarHBondContact O-N 3.29Å; S378-N380 VanDerWaalsContact O-N 3.07Å; S378-N380 PolarHBondContact OG-N 2.9Å; S378-G381 PolarHBondContact O-N 3.3Å; S378-D382 PolarHBondContact N-O 3.49Å |
| 379 | A | 45 | Very low | 42.7 | Very low | 109 Ų | 109 | 98.8 Ų | 98.8 | 90% | 0.901 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | -22.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 380 | N | 42.7 | Very low | 44.4 | Very low | 139 Ų | 139 | 91.6 Ų | 91.6 | 74% | 0.743 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | 6 | 175.4 | -63.6 | -17.7 | 0 | 0 | 0 | 113.8 | S378 D382 | S378-N380 PolarHBondContact O-N 3.29Å; S378-N380 VanDerWaalsContact O-N 3.07Å; S378-N380 PolarHBondContact OG-N 2.9Å; N380-D382 VanDerWaalsContact C-N 3.32Å; N380-D382 PolarHBondContact O-N 3.13Å |
| 381 | G | 43.2 | Very low | 46.5 | Very low | 48 Ų | 48 | 90.4 Ų | 90.4 | 50% | 0.495 | 55% | 0.548 | S | S | . | . | trans | 83.2 | 0.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | S378 V383 | S378-G381 PolarHBondContact O-N 3.3Å; G381-V383 PolarHBondContact O-N 3.04Å | ||
| 382 | D | 39.9 | Very low | 48.7 | Very low | 104 Ų | 104 | 91.5 Ų | 91.5 | 56% | 0.556 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 128.1 | 177.3 | -59.2 | -47.9 | 0 | 0 | 0 | 111 | T377 S378 N380 F384 | T377-D382 WeakPolarHBondContact CA-O 3.29Å; S378-D382 PolarHBondContact N-O 3.49Å; N380-D382 VanDerWaalsContact C-N 3.32Å; N380-D382 PolarHBondContact O-N 3.13Å; D382-F384 PolarHBondContact O-N 3.14Å |
| 383 | V | 48.5 | Very low | 50.7 | Low | 88 Ų | 88 | 91.5 Ų | 91.5 | 53% | 0.533 | 54% | 0.537 | S | S | . | . | B | Isolated β-bridge | trans | -80.1 | 116.3 | 178.3 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | T377 G381 | T377-V383 HydrophobicContact CG2-CG2 4.24Å; G381-V383 PolarHBondContact O-N 3.04Å |
| 384 | F | 48.2 | Very low | 52.4 | Low | 72 Ų | 72 | 86.1 Ų | 86.1 | 32% | 0.316 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 137.7 | 173.4 | -73.4 | -73.5 | 0 | 0 | 0 | 110.6 | P376 D382 S386 V394 | P376-F384 VanDerWaalsContact O-CD2 3.25Å; P376-F384 WeakPolarHBondContact O-CD2 3.35Å; P376-F384 PolarHBondContact O-N 3.36Å; D382-F384 PolarHBondContact O-N 3.14Å; F384-S386 PolarHBondContact O-N 3.41Å; F384-V394 HydrophobicContact CD1-CG1 4.04Å; F384-V394 HydrophobicContact CD1-CG2 4.03Å; F384-V394 HydrophobicContact CE1-CG1 3.73Å; F384-V394 HydrophobicContact CE1-CG2 3.98Å; F384-V394 HydrophobicContact CZ-CG1 4.47Å |
| 385 | P | 54.9 | Low | 54.2 | Low | 59 Ų | 59 | 83.9 Ų | 83.9 | 38% | 0.383 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 128.9 | 175.5 | 20.1 | -27.6 | 0 | 0 | 0 | 110.1 | S387 A390 | P385-S387 PolarHBondContact O-N 3.22Å; P385-A390 HydrophobicContact CB-CB 4.43Å; P385-A390 HydrophobicContact CG-CB 3.55Å |
| 386 | S | 52.8 | Low | 56.3 | Low | 70 Ų | 70 | 92.3 Ų | 92.3 | 49% | 0.49 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -65 | -21.3 | -174.8 | 47.2 | 0 | 0 | 0 | 0 | 113.3 | F384 R391 | F384-S386 PolarHBondContact O-N 3.41Å; S386-R391 PolarHBondContact O-NH1 3.05Å |
| 387 | S | 61.1 | Low | 58.3 | Low | 89 Ų | 89 | 93.5 Ų | 93.5 | 62% | 0.622 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -156.1 | 167.4 | 178.6 | 63 | 0 | 0 | 0 | 0 | 111.9 | P385 | P385-S387 PolarHBondContact O-N 3.22Š|
| 388 | G | 74.2 | Confident | 60.6 | Low | 43 Ų | 43 | 94.4 Ų | 94.4 | 44% | 0.443 | 52% | 0.516 | S | S | . | . | S | Bend | trans | 101 | -175.5 | 171 | 0 | 0 | 0 | 0 | 0 | 116.5 | A390 R391 Q392 | G388-A390 VanDerWaalsContact C-N 3.26Å; G388-A390 PolarHBondContact O-N 3.3Å; G388-R391 PolarHBondContact O-N 3.45Å; G388-R391 VanDerWaalsContact O-N 3.08Å; G388-Q392 PolarHBondContact O-N 3.45Å |
| 389 | R | 62.6 | Low | 62.8 | Low | 185 Ų | 185 | 101 Ų | 101 | 70% | 0.698 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -56.7 | -36.6 | -175.4 | -169.5 | 174.6 | -177.6 | 167.8 | -1.3 | 112.7 | R391 Q392 L393 | R389-R391 VanDerWaalsContact C-N 3.35Å; R389-R391 PolarHBondContact O-N 3.07Å; R389-Q392 PolarHBondContact O-N 3.48Å; R389-L393 WeakPolarHBondContact O-CG 3.22Å; R389-L393 PolarHBondContact O-N 3.08Å |
| 390 | A | 60.4 | Low | 64.8 | Low | 49 Ų | 49 | 98 Ų | 98 | 41% | 0.405 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.1 | -39.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P385 G388 L393 V394 | P385-A390 HydrophobicContact CB-CB 4.43Å; P385-A390 HydrophobicContact CG-CB 3.55Å; G388-A390 VanDerWaalsContact C-N 3.26Å; G388-A390 PolarHBondContact O-N 3.3Å; A390-L393 PolarHBondContact O-N 2.8Å; A390-V394 WeakPolarHBondContact O-CG2 3.5Å; A390-V394 PolarHBondContact O-N 2.81Å; A390-V394 VanDerWaalsContact O-N 3.14Å |
| 391 | R | 69.2 | Low | 67 | Low | 104 Ų | 104 | 95.1 Ų | 95.1 | 39% | 0.392 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.6 | -40.1 | 176.5 | -169.7 | -179.6 | 174.7 | 145.2 | 7.5 | 111.9 | S386 G388 R389 L393 V394 E395 | S386-R391 PolarHBondContact O-NH1 3.05Å; G388-R391 PolarHBondContact O-N 3.45Å; G388-R391 VanDerWaalsContact O-N 3.08Å; R389-R391 VanDerWaalsContact C-N 3.35Å; R389-R391 PolarHBondContact O-N 3.07Å; R391-L393 VanDerWaalsContact C-N 3.28Å; R391-L393 PolarHBondContact O-N 2.93Å; R391-V394 PolarHBondContact O-N 2.78Å; R391-E395 IonicContact NE-OE1 3.99Å; R391-E395 PolarHBondContact NE-OE1 3.26Å; R391-E395 PolarHBondContact O-N 3.44Å |
| 392 | Q | 74.8 | Confident | 69 | Low | 133 Ų | 133 | 98.6 Ų | 98.6 | 62% | 0.621 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.3 | -37.2 | 175.4 | -65.6 | 177 | 6.5 | 0 | 0 | 112.1 | G388 R389 R396 | G388-Q392 PolarHBondContact O-N 3.45Å; R389-Q392 PolarHBondContact O-N 3.48Å; Q392-R396 VanDerWaalsContact O-CB 3.28Å; Q392-R396 WeakPolarHBondContact O-CB 3.4Å; Q392-R396 PolarHBondContact O-N 2.94Å |
| 393 | L | 71.4 | Confident | 71.1 | Confident | 110 Ų | 110 | 100.5 Ų | 100.5 | 58% | 0.576 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.4 | -43.5 | 174.5 | -72.5 | 169.8 | 0 | 0 | 0 | 111.9 | R389 A390 R391 R396 W397 | R389-L393 WeakPolarHBondContact O-CG 3.22Å; R389-L393 PolarHBondContact O-N 3.08Å; A390-L393 PolarHBondContact O-N 2.8Å; R391-L393 VanDerWaalsContact C-N 3.28Å; R391-L393 PolarHBondContact O-N 2.93Å; L393-R396 PolarHBondContact O-N 3.22Å; L393-W397 WeakPolarHBondContact O-CB 3.47Å; L393-W397 PolarHBondContact O-N 3.29Å |
| 394 | V | 70 | Confident | 72.7 | Confident | 43 Ų | 43 | 100.1 Ų | 100.1 | 26% | 0.261 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 175.8 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | F384 A390 R391 R396 W397 N398 | F384-V394 HydrophobicContact CD1-CG1 4.04Å; F384-V394 HydrophobicContact CD1-CG2 4.03Å; F384-V394 HydrophobicContact CE1-CG1 3.73Å; F384-V394 HydrophobicContact CE1-CG2 3.98Å; F384-V394 HydrophobicContact CZ-CG1 4.47Å; A390-V394 WeakPolarHBondContact O-CG2 3.5Å; A390-V394 PolarHBondContact O-N 2.81Å; A390-V394 VanDerWaalsContact O-N 3.14Å; R391-V394 PolarHBondContact O-N 2.78Å; V394-R396 VanDerWaalsContact C-N 3.35Å; V394-R396 PolarHBondContact O-N 3.43Å; V394-W397 PolarHBondContact O-N 3.46Å; V394-N398 WeakPolarHBondContact O-CB 3.39Å; V394-N398 VanDerWaalsContact O-CG 3.26Å; V394-N398 PolarHBondContact O-N 3.09Å; V394-N398 PolarHBondContact O-ND2 3.38Å |
| 395 | E | 75.8 | Confident | 74.2 | Confident | 86 Ų | 86 | 98.9 Ų | 98.9 | 40% | 0.402 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -39 | 176.5 | -75.1 | 177 | -166.9 | 0 | 0 | 112.1 | R391 N398 K399 | R391-E395 IonicContact NE-OE1 3.99Å; R391-E395 PolarHBondContact NE-OE1 3.26Å; R391-E395 PolarHBondContact O-N 3.44Å; E395-N398 PolarHBondContact O-N 3.49Å; E395-K399 WeakPolarHBondContact O-CB 3.48Å; E395-K399 WeakPolarHBondContact O-CG 3.31Å; E395-K399 PolarHBondContact O-N 3.19Å |
| 396 | R | 78.3 | Confident | 75.5 | Confident | 194 Ų | 194 | 101.7 Ų | 101.7 | 73% | 0.732 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66 | -41.2 | 174.9 | -175.4 | 172.6 | 178.3 | 167.6 | -0.9 | 111.8 | Q392 L393 V394 K399 M400 | Q392-R396 VanDerWaalsContact O-CB 3.28Å; Q392-R396 WeakPolarHBondContact O-CB 3.4Å; Q392-R396 PolarHBondContact O-N 2.94Å; L393-R396 PolarHBondContact O-N 3.22Å; V394-R396 VanDerWaalsContact C-N 3.35Å; V394-R396 PolarHBondContact O-N 3.43Å; R396-K399 PolarHBondContact O-N 2.76Å; R396-M400 PolarHBondContact O-N 3.3Å; R396-M400 VanDerWaalsContact O-N 3.14Å |
| 397 | W | 79.7 | Confident | 76.6 | Confident | 111 Ų | 111 | 101.5 Ų | 101.5 | 42% | 0.42 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.2 | -50.2 | 173.9 | -178.8 | -87.5 | 0 | 0 | 0 | 111.1 | L393 V394 K399 M400 Q405 V408 | L393-W397 WeakPolarHBondContact O-CB 3.47Å; L393-W397 PolarHBondContact O-N 3.29Å; V394-W397 PolarHBondContact O-N 3.46Å; W397-K399 VanDerWaalsContact C-N 3.26Å; W397-K399 PolarHBondContact O-N 2.8Å; W397-M400 HydrophobicContact CD2-CE 4.38Å; W397-M400 HydrophobicContact CE3-CE 3.83Å; W397-M400 HydrophobicContact CH2-CE 4.41Å; W397-M400 HydrophobicContact CZ3-CE 3.85Å; W397-M400 WeakPolarHBondContact O-CB 3.29Å; W397-M400 PolarHBondContact O-N 3.33Å; W397-Q405 HydrophobicContact CH2-CB 4.47Å; W397-Q405 HydrophobicContact CZ2-CB 4.07Å; W397-Q405 HydrophobicContact CZ2-CG 4.14Å; W397-Q405 PolarHBondContact O-NE2 3.31Å; W397-V408 HydrophobicContact CH2-CB 4.14Å; W397-V408 HydrophobicContact CH2-CG1 3.97Å; W397-V408 HydrophobicContact CZ3-CB 4.08Å; W397-V408 HydrophobicContact CZ3-CG1 3.7Å |
| 398 | N | 80.8 | Confident | 77 | Confident | 111 Ų | 111 | 100.4 Ų | 100.4 | 59% | 0.594 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.1 | -28.2 | -178.8 | -70.8 | -23.6 | 0 | 0 | 0 | 113.4 | V394 E395 | V394-N398 WeakPolarHBondContact O-CB 3.39Å; V394-N398 VanDerWaalsContact O-CG 3.26Å; V394-N398 PolarHBondContact O-N 3.09Å; V394-N398 PolarHBondContact O-ND2 3.38Å; E395-N398 PolarHBondContact O-N 3.49Å |
| 399 | K | 85.9 | Confident | 76.8 | Confident | 173 Ų | 173 | 100 Ų | 100 | 75% | 0.752 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -8.6 | 174 | -72.7 | 180 | -179.9 | 178.6 | 0 | 113.7 | E395 R396 W397 | E395-K399 WeakPolarHBondContact O-CB 3.48Å; E395-K399 WeakPolarHBondContact O-CG 3.31Å; E395-K399 PolarHBondContact O-N 3.19Å; R396-K399 PolarHBondContact O-N 2.76Å; W397-K399 VanDerWaalsContact C-N 3.26Å; W397-K399 PolarHBondContact O-N 2.8Å |
| 400 | M | 86.4 | Confident | 76.9 | Confident | 46 Ų | 46 | 98.6 Ų | 98.6 | 23% | 0.227 | 48% | 0.484 | C | S | . | . | S | Bend | trans | -75.5 | 134.7 | -178.5 | -166.7 | 162.1 | 68.4 | 0 | 0 | 109.8 | R396 W397 N404 Q405 V408 | R396-M400 PolarHBondContact O-N 3.3Å; R396-M400 VanDerWaalsContact O-N 3.14Å; W397-M400 HydrophobicContact CD2-CE 4.38Å; W397-M400 HydrophobicContact CE3-CE 3.83Å; W397-M400 HydrophobicContact CH2-CE 4.41Å; W397-M400 HydrophobicContact CZ3-CE 3.85Å; W397-M400 WeakPolarHBondContact O-CB 3.29Å; W397-M400 PolarHBondContact O-N 3.33Å; M400-N404 HydrophobicContact CE-CB 4.4Å; M400-N404 HydrophobicContact CG-CB 3.52Å; M400-N404 HydrophobicContact SD-CB 3.93Å; M400-Q405 HydrophobicContact CB-CG 4.1Å; M400-Q405 HydrophobicContact CE-CB 4.21Å; M400-Q405 HydrophobicContact CE-CG 3.6Å; M400-Q405 HydrophobicContact CG-CG 4.38Å; M400-Q405 PolarHBondContact O-NE2 3.3Å; M400-V408 HydrophobicContact CE-CG2 4.02Å |
| 401 | P | 89.9 | Confident | 77 | Confident | 80 Ų | 80 | 99.5 Ų | 99.5 | 52% | 0.519 | 48% | 0.484 | S | S | . | . | trans | -52.1 | 146.5 | 175.3 | -26.9 | 34.2 | 0 | 0 | 0 | 112 | E403 N404 Q405 | P401-E403 PolarHBondContact O-N 3.3Å; P401-N404 WeakPolarHBondContact O-CB 3.35Å; P401-N404 PolarHBondContact O-N 3.43Å; P401-Q405 PolarHBondContact O-N 2.99Å | ||
| 402 | L | 83.7 | Confident | 76.5 | Confident | 120 Ų | 120 | 96.5 Ų | 96.5 | 63% | 0.628 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -57.9 | -38.3 | -175.8 | -167.7 | 72.9 | 0 | 0 | 0 | 112.1 | N404 Q405 Q406 | L402-N404 VanDerWaalsContact C-N 3.35Å; L402-N404 PolarHBondContact O-N 3.16Å; L402-Q405 PolarHBondContact O-N 3.38Å; L402-Q406 WeakPolarHBondContact O-CG 3.48Å; L402-Q406 PolarHBondContact O-N 3.41Å |
| 403 | E | 83.9 | Confident | 75.4 | Confident | 144 Ų | 144 | 92.6 Ų | 92.6 | 67% | 0.673 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59.1 | -44.2 | 175.9 | -173.2 | 172.7 | -171.2 | 0 | 0 | 111.9 | P401 Q405 Q406 T407 | P401-E403 PolarHBondContact O-N 3.3Å; E403-Q405 PolarHBondContact O-N 3.3Å; E403-Q406 WeakPolarHBondContact O-CB 3.4Å; E403-Q406 PolarHBondContact O-N 2.79Å; E403-T407 PolarHBondContact O-N 3.41Å; E403-T407 PolarHBondContact O-OG1 3.31Å; E403-T407 VanDerWaalsContact O-OG1 3.08Å |
| 404 | N | 83.2 | Confident | 74.6 | Confident | 81 Ų | 81 | 93.6 Ų | 93.6 | 43% | 0.433 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.4 | -36.7 | 176.5 | -71.1 | -1.3 | 0 | 0 | 0 | 111.9 | M400 P401 L402 Q406 T407 V408 | M400-N404 HydrophobicContact CE-CB 4.4Å; M400-N404 HydrophobicContact CG-CB 3.52Å; M400-N404 HydrophobicContact SD-CB 3.93Å; P401-N404 WeakPolarHBondContact O-CB 3.35Å; P401-N404 PolarHBondContact O-N 3.43Å; L402-N404 VanDerWaalsContact C-N 3.35Å; L402-N404 PolarHBondContact O-N 3.16Å; N404-Q406 VanDerWaalsContact C-N 3.33Å; N404-T407 PolarHBondContact O-N 3.23Å; N404-V408 WeakPolarHBondContact O-CG2 3.39Å; N404-V408 PolarHBondContact O-N 3.07Å |
| 405 | Q | 79.3 | Confident | 73.4 | Confident | 45 Ų | 45 | 97.8 Ų | 97.8 | 21% | 0.21 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -64 | -39.4 | 173.6 | -65.8 | -177.8 | 29.9 | 0 | 0 | 111.6 | W397 M400 P401 L402 E403 V408 G409 | W397-Q405 HydrophobicContact CH2-CB 4.47Å; W397-Q405 HydrophobicContact CZ2-CB 4.07Å; W397-Q405 HydrophobicContact CZ2-CG 4.14Å; W397-Q405 PolarHBondContact O-NE2 3.31Å; M400-Q405 HydrophobicContact CB-CG 4.1Å; M400-Q405 HydrophobicContact CE-CB 4.21Å; M400-Q405 HydrophobicContact CE-CG 3.6Å; M400-Q405 HydrophobicContact CG-CG 4.38Å; M400-Q405 PolarHBondContact O-NE2 3.3Å; P401-Q405 PolarHBondContact O-N 2.99Å; L402-Q405 PolarHBondContact O-N 3.38Å; E403-Q405 PolarHBondContact O-N 3.3Å; Q405-V408 PolarHBondContact O-N 3.29Å; Q405-G409 PolarHBondContact O-N 3.46Å |
| 406 | Q | 81.3 | Confident | 72.2 | Confident | 118 Ų | 118 | 99.6 Ų | 99.6 | 55% | 0.551 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.6 | -41.7 | 175.5 | -71.8 | 174.7 | 0.8 | 0 | 0 | 112 | L402 E403 N404 G409 R410 | L402-Q406 WeakPolarHBondContact O-CG 3.48Å; L402-Q406 PolarHBondContact O-N 3.41Å; E403-Q406 WeakPolarHBondContact O-CB 3.4Å; E403-Q406 PolarHBondContact O-N 2.79Å; N404-Q406 VanDerWaalsContact C-N 3.33Å; Q406-G409 PolarHBondContact O-N 2.87Å; Q406-R410 WeakPolarHBondContact O-CB 3.48Å; Q406-R410 PolarHBondContact O-N 3.05Å |
| 407 | T | 76.6 | Confident | 70.4 | Confident | 66 Ų | 66 | 93.3 Ų | 93.3 | 41% | 0.405 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 175.3 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | E403 N404 G409 R410 V411 | E403-T407 PolarHBondContact O-N 3.41Å; E403-T407 PolarHBondContact O-OG1 3.31Å; E403-T407 VanDerWaalsContact O-OG1 3.08Å; N404-T407 PolarHBondContact O-N 3.23Å; T407-G409 VanDerWaalsContact C-N 3.31Å; T407-G409 PolarHBondContact O-N 2.85Å; T407-R410 WeakPolarHBondContact O-CB 3.27Å; T407-R410 PolarHBondContact O-N 3.36Å; T407-V411 WeakPolarHBondContact O-CG2 3.29Å; T407-V411 PolarHBondContact O-N 3.3Å |
| 408 | V | 68.8 | Low | 68.4 | Low | 66 Ų | 66 | 96 Ų | 96 | 40% | 0.4 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.2 | -40.3 | 175.4 | 177.3 | 0 | 0 | 0 | 0 | 111.2 | W397 M400 N404 Q405 R410 V411 A412 | W397-V408 HydrophobicContact CH2-CB 4.14Å; W397-V408 HydrophobicContact CH2-CG1 3.97Å; W397-V408 HydrophobicContact CZ3-CB 4.08Å; W397-V408 HydrophobicContact CZ3-CG1 3.7Å; M400-V408 HydrophobicContact CE-CG2 4.02Å; N404-V408 WeakPolarHBondContact O-CG2 3.39Å; N404-V408 PolarHBondContact O-N 3.07Å; Q405-V408 PolarHBondContact O-N 3.29Å; V408-R410 PolarHBondContact O-N 2.79Å; V408-V411 PolarHBondContact O-N 3.46Å; V408-A412 WeakPolarHBondContact O-CB 3.07Å; V408-A412 PolarHBondContact O-N 3.39Å |
| 409 | G | 70.2 | Confident | 66 | Low | 36 Ų | 36 | 96.6 Ų | 96.6 | 37% | 0.371 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q405 Q406 T407 A412 S413 | Q405-G409 PolarHBondContact O-N 3.46Å; Q406-G409 PolarHBondContact O-N 2.87Å; T407-G409 VanDerWaalsContact C-N 3.31Å; T407-G409 PolarHBondContact O-N 2.85Å; G409-A412 PolarHBondContact O-N 3.3Å; G409-S413 PolarHBondContact O-N 2.82Å; G409-S413 PolarHBondContact O-OG 3.18Å |
| 410 | R | 66.2 | Low | 63.6 | Low | 154 Ų | 154 | 96.3 Ų | 96.3 | 58% | 0.581 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.2 | -51.2 | 176.6 | -170.4 | -172.8 | -55.1 | 174.6 | 4.6 | 111.4 | Q406 T407 V408 A412 S413 E414 | Q406-R410 WeakPolarHBondContact O-CB 3.48Å; Q406-R410 PolarHBondContact O-N 3.05Å; T407-R410 WeakPolarHBondContact O-CB 3.27Å; T407-R410 PolarHBondContact O-N 3.36Å; V408-R410 PolarHBondContact O-N 2.79Å; R410-A412 VanDerWaalsContact C-N 3.28Å; R410-A412 PolarHBondContact O-N 3.46Å; R410-S413 WeakPolarHBondContact CA-OG 3.48Å; R410-S413 PolarHBondContact O-N 2.93Å; R410-S413 PolarHBondContact O-OG 3.06Å; R410-E414 PolarHBondContact O-N 3.29Å |
| 411 | V | 62 | Low | 61 | Low | 68 Ų | 68 | 99.9 Ų | 99.9 | 41% | 0.412 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.6 | -41.7 | 176.9 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | T407 V408 S413 E414 I415 | T407-V411 WeakPolarHBondContact O-CG2 3.29Å; T407-V411 PolarHBondContact O-N 3.3Å; V408-V411 PolarHBondContact O-N 3.46Å; V411-S413 VanDerWaalsContact C-N 3.29Å; V411-S413 PolarHBondContact O-N 3.32Å; V411-E414 PolarHBondContact O-N 2.91Å; V411-I415 HydrophobicContact CG1-CD1 3.83Å; V411-I415 HydrophobicContact CG1-CG1 4.44Å; V411-I415 VanDerWaalsContact O-CG1 3.23Å; V411-I415 WeakPolarHBondContact O-CG1 3.29Å; V411-I415 PolarHBondContact O-N 2.82Å |
| 412 | A | 59.2 | Low | 58.1 | Low | 41 Ų | 41 | 103.2 Ų | 103.2 | 34% | 0.339 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.3 | -31.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V408 G409 R410 N416 | V408-A412 WeakPolarHBondContact O-CB 3.07Å; V408-A412 PolarHBondContact O-N 3.39Å; G409-A412 PolarHBondContact O-N 3.3Å; R410-A412 VanDerWaalsContact C-N 3.28Å; R410-A412 PolarHBondContact O-N 3.46Å; A412-N416 WeakPolarHBondContact O-CB 3.4Å; A412-N416 PolarHBondContact O-N 2.91Å; A412-N416 VanDerWaalsContact O-N 3.16Å; A412-N416 PolarHBondContact O-ND2 2.99Å |
| 413 | S | 50.3 | Low | 55.4 | Low | 51 Ų | 51 | 103.4 Ų | 103.4 | 36% | 0.357 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -82.2 | -30 | 177.1 | 34.7 | 0 | 0 | 0 | 0 | 113.1 | G409 R410 V411 G417 K418 | G409-S413 PolarHBondContact O-N 2.82Å; G409-S413 PolarHBondContact O-OG 3.18Å; R410-S413 WeakPolarHBondContact CA-OG 3.48Å; R410-S413 PolarHBondContact O-N 2.93Å; R410-S413 PolarHBondContact O-OG 3.06Å; V411-S413 VanDerWaalsContact C-N 3.29Å; V411-S413 PolarHBondContact O-N 3.32Å; S413-G417 PolarHBondContact O-N 3.03Å; S413-K418 PolarHBondContact O-N 3.32Å |
| 414 | E | 55.5 | Low | 52.5 | Low | 131 Ų | 131 | 105.2 Ų | 105.2 | 61% | 0.612 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.4 | -46.2 | 168.1 | -75 | 170.4 | -169.9 | 0 | 0 | 111.2 | R410 V411 N416 G417 | R410-E414 PolarHBondContact O-N 3.29Å; V411-E414 PolarHBondContact O-N 2.91Å; E414-N416 VanDerWaalsContact C-N 3.33Å; E414-N416 PolarHBondContact O-N 3.04Å; E414-G417 PolarHBondContact O-N 3.33Å |
| 415 | I | 45.1 | Very low | 49.8 | Very low | 131 Ų | 131 | 111.7 Ų | 111.7 | 67% | 0.672 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.6 | -41.9 | 176.4 | -67.5 | 166.4 | 0 | 0 | 0 | 111.1 | V411 G417 | V411-I415 HydrophobicContact CG1-CD1 3.83Å; V411-I415 HydrophobicContact CG1-CG1 4.44Å; V411-I415 VanDerWaalsContact O-CG1 3.23Å; V411-I415 WeakPolarHBondContact O-CG1 3.29Å; V411-I415 PolarHBondContact O-N 2.82Å; I415-G417 VanDerWaalsContact C-N 3.33Å; I415-G417 PolarHBondContact O-N 2.87Å |
| 416 | N | 49.6 | Very low | 47.1 | Very low | 124 Ų | 124 | 118.9 Ų | 118.9 | 66% | 0.663 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 8.4 | -177.6 | -66.9 | -53.5 | 0 | 0 | 0 | 114.1 | A412 E414 K418 | A412-N416 WeakPolarHBondContact O-CB 3.4Å; A412-N416 PolarHBondContact O-N 2.91Å; A412-N416 VanDerWaalsContact O-N 3.16Å; A412-N416 PolarHBondContact O-ND2 2.99Å; E414-N416 VanDerWaalsContact C-N 3.33Å; E414-N416 PolarHBondContact O-N 3.04Å; N416-K418 VanDerWaalsContact C-N 3.31Å; N416-K418 PolarHBondContact O-N 2.68Å; N416-K418 VanDerWaalsContact O-N 3.17Å |
| 417 | G | 40.5 | Very low | 44.3 | Very low | 62 Ų | 62 | 123.1 Ų | 123.1 | 64% | 0.639 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.1 | 25.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | S413 E414 I415 | S413-G417 PolarHBondContact O-N 3.03Å; E414-G417 PolarHBondContact O-N 3.33Å; I415-G417 VanDerWaalsContact C-N 3.33Å; I415-G417 PolarHBondContact O-N 2.87Å |
| 418 | K | 37.3 | Very low | 41.8 | Very low | 169 Ų | 169 | 126.9 Ų | 126.9 | 74% | 0.735 | 65% | 0.653 | S | S | * | * | trans | -131 | 116.7 | 178.9 | -78.1 | -175.3 | -180 | 175.9 | 0 | 113.1 | S413 N416 H420 | S413-K418 PolarHBondContact O-N 3.32Å; N416-K418 VanDerWaalsContact C-N 3.31Å; N416-K418 PolarHBondContact O-N 2.68Å; N416-K418 VanDerWaalsContact O-N 3.17Å; K418-H420 PolarHBondContact O-N 2.96Å | ||
| 419 | P | 31.3 | Very low | 39.7 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 79% | 0.792 | 67% | 0.669 | S | S | * | * | trans | -76.7 | 114.3 | 173.2 | 29.8 | -29.5 | 0 | 0 | 0 | 109.6 | V421 | P419-V421 PolarHBondContact O-N 2.71Š| ||
| 420 | H | 35.2 | Very low | 37.7 | Very low | 167 Ų | 167 | 134.1 Ų | 134.1 | 77% | 0.773 | 69% | 0.692 | S | S | * | * | trans | -90 | 99.2 | 173.6 | -153.6 | -73.1 | 0 | 0 | 0 | 109.7 | K418 L422 | K418-H420 PolarHBondContact O-N 2.96Å; H420-L422 PolarHBondContact O-N 3.2Å | ||
| 421 | V | 32.9 | Very low | 35.8 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 74% | 0.739 | 70% | 0.701 | S | S | * | * | trans | -67.6 | 112.1 | 163.9 | -179.2 | 0 | 0 | 0 | 0 | 107.2 | P419 N423 | P419-V421 PolarHBondContact O-N 2.71Å; V421-N423 VanDerWaalsContact C-N 3.26Å; V421-N423 PolarHBondContact O-N 3.11Å | ||
| 422 | L | 28.4 | Very low | 34.2 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | trans | -67.8 | 77.4 | -178.4 | -126.9 | 143.9 | 0 | 0 | 0 | 109.9 | H420 Q424 | H420-L422 PolarHBondContact O-N 3.2Å; L422-Q424 PolarHBondContact O-N 3.14Å | ||
| 423 | N | 26.2 | Very low | 32.7 | Very low | 124 Ų | 124 | 145.3 Ų | 145.3 | 66% | 0.663 | 75% | 0.747 | S | S | * | * | trans | -80.8 | 103.1 | 176.3 | -133.8 | -17.6 | 0 | 0 | 0 | 108.6 | V421 R425 | V421-N423 VanDerWaalsContact C-N 3.26Å; V421-N423 PolarHBondContact O-N 3.11Å; N423-R425 PolarHBondContact O-N 3.17Å | ||
| 424 | Q | 24.1 | Very low | 31.6 | Very low | 182 Ų | 182 | 147.9 Ų | 147.9 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | -60 | 78.4 | 176.1 | -64.9 | 174.9 | -2.5 | 0 | 0 | 110.7 | L422 K426 | L422-Q424 PolarHBondContact O-N 3.14Å; Q424-K426 PolarHBondContact O-N 3.07Å | ||
| 425 | R | 25.1 | Very low | 30.4 | Very low | 216 Ų | 216 | 146.5 Ų | 146.5 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | trans | -92.2 | 99.5 | 169.3 | -79 | -173.1 | 177.1 | -179.7 | 0 | 108.9 | N423 F427 | N423-R425 PolarHBondContact O-N 3.17Å; R425-F427 PolarHBondContact O-N 2.93Å | ||
| 426 | K | 23.5 | Very low | 29.6 | Very low | 196 Ų | 196 | 145 Ų | 145 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | trans | -34.5 | 121.2 | 162.1 | -97.4 | 172 | 170.4 | 173.5 | 0 | 110.3 | Q424 I428 | Q424-K426 PolarHBondContact O-N 3.07Å; K426-I428 PolarHBondContact O-N 3.05Å | ||
| 427 | F | 22 | Very low | 28.6 | Very low | 207 Ų | 207 | 150.4 Ų | 150.4 | 91% | 0.908 | 80% | 0.795 | S | S | * | * | trans | -52.5 | 115.8 | 167.8 | -93.7 | -104 | 0 | 0 | 0 | 109.5 | R425 | R425-F427 PolarHBondContact O-N 2.93Š| ||
| 428 | I | 24.7 | Very low | 28.1 | Very low | 146 Ų | 146 | 156.6 Ų | 156.6 | 75% | 0.749 | 80% | 0.804 | S | S | * | * | trans | -102.8 | 117.3 | 159 | -59.7 | 176.6 | 0 | 0 | 0 | 105.6 | K426 V430 | K426-I428 PolarHBondContact O-N 3.05Å; I428-V430 PolarHBondContact O-N 2.93Å | ||
| 429 | P | 24.2 | Very low | 27.7 | Very low | 113 Ų | 113 | 154.6 Ų | 154.6 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | trans | -59 | 121.5 | 179.7 | -22.4 | 32.9 | 0 | 0 | 0 | 110.9 | ||||
| 430 | V | 28 | Very low | 27.8 | Very low | 141 Ų | 141 | 155.4 Ų | 155.4 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | -88.3 | 110.6 | 170.5 | 178.8 | 0 | 0 | 0 | 0 | 107.2 | I428 | I428-V430 PolarHBondContact O-N 2.93Š| ||
| 431 | E | 26.4 | Very low | 27.5 | Very low | 164 Ų | 164 | 156.3 Ų | 156.3 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | trans | -61.1 | 144.1 | 174.1 | -68.5 | -174.7 | 160.2 | 0 | 0 | 111.3 | K433 | E431-K433 PolarHBondContact O-N 2.85Å; E431-K433 VanDerWaalsContact O-N 3.11Å | ||
| 432 | P | 29.4 | Very low | 27.4 | Very low | 129 Ų | 129 | 159.5 Ų | 159.5 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | trans | -71.9 | 109.3 | -175.4 | 0.7 | 13.9 | 0 | 0 | 0 | 110 | A434 | P432-A434 PolarHBondContact O-N 3.23Å; P432-A434 VanDerWaalsContact O-N 3.07Å | ||
| 433 | K | 27.5 | Very low | 27.3 | Very low | 204 Ų | 204 | 162.2 Ų | 162.2 | 89% | 0.887 | 83% | 0.827 | S | S | * | * | trans | -71.4 | 104 | 169.7 | -77 | -176.5 | 176.3 | 177.8 | 0 | 109.6 | E431 S435 | E431-K433 PolarHBondContact O-N 2.85Å; E431-K433 VanDerWaalsContact O-N 3.11Å; K433-S435 PolarHBondContact O-N 3.18Å | ||
| 434 | A | 27.2 | Very low | 27.7 | Very low | 105 Ų | 105 | 161 Ų | 161 | 87% | 0.868 | 83% | 0.826 | S | S | * | * | trans | -56.5 | 98.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110 | P432 | P432-A434 PolarHBondContact O-N 3.23Å; P432-A434 VanDerWaalsContact O-N 3.07Å | ||
| 435 | S | 29.5 | Very low | 28 | Very low | 103 Ų | 103 | 161.7 Ų | 161.7 | 72% | 0.72 | 83% | 0.826 | S | S | * | * | trans | -96.7 | 101.5 | 170.7 | -171.3 | 0 | 0 | 0 | 0 | 108.9 | K433 R437 | K433-S435 PolarHBondContact O-N 3.18Å; S435-R437 PolarHBondContact O-N 3.2Å | ||
| 436 | A | 28.5 | Very low | 28.3 | Very low | 99 Ų | 99 | 160.3 Ų | 160.3 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -58.3 | 100.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 437 | R | 29.4 | Very low | 28.5 | Very low | 238 Ų | 238 | 159 Ų | 159 | 90% | 0.898 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 117.4 | 165.5 | -76 | -173.6 | 177.9 | -164.3 | -0.1 | 108.9 | S435 | S435-R437 PolarHBondContact O-N 3.2Š|
| 438 | K | 29 | Very low | 28.9 | Very low | 191 Ų | 191 | 156.2 Ų | 156.2 | 83% | 0.83 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 153.6 | 175 | -80.4 | 179.6 | 175.2 | 179.4 | 0 | 111.4 | V440 | K438-V440 PolarHBondContact O-N 3.38Š|
| 439 | P | 30 | Very low | 29.2 | Very low | 128 Ų | 128 | 154.7 Ų | 154.7 | 83% | 0.831 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 124.6 | -173.4 | -9.7 | 25.9 | 0 | 0 | 0 | 110.3 | ||
| 440 | V | 32.1 | Very low | 29.5 | Very low | 139 Ų | 139 | 157.6 Ų | 157.6 | 84% | 0.842 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -80 | 123.3 | 168.2 | 176.3 | 0 | 0 | 0 | 0 | 107.8 | K438 Q442 | K438-V440 PolarHBondContact O-N 3.38Å; V440-Q442 PolarHBondContact O-N 3.44Å |
| 441 | E | 29.2 | Very low | 29.4 | Very low | 186 Ų | 186 | 159.1 Ų | 159.1 | 87% | 0.869 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 124.6 | -175.7 | -152.9 | 168.8 | -178.8 | 0 | 0 | 111.5 | K443 | E441-K443 PolarHBondContact O-N 2.8Š|
| 442 | Q | 30.3 | Very low | 29.5 | Very low | 188 Ų | 188 | 160.9 Ų | 160.9 | 88% | 0.879 | 84% | 0.844 | S | S | * | * | trans | -73.9 | 113 | 177.1 | -69.3 | 172.3 | -13.9 | 0 | 0 | 109.4 | V440 | V440-Q442 PolarHBondContact O-N 3.44Š| ||
| 443 | K | 28.2 | Very low | 29.5 | Very low | 207 Ų | 207 | 163.2 Ų | 163.2 | 90% | 0.9 | 84% | 0.844 | S | S | * | * | trans | -101.4 | 113.2 | 160.1 | -149.5 | 174.1 | -173.8 | 178.5 | 0 | 108.9 | E441 | E441-K443 PolarHBondContact O-N 2.8Š| ||
| 444 | P | 33 | Very low | 29.6 | Very low | 99 Ų | 99 | 161 Ų | 161 | 64% | 0.643 | 84% | 0.842 | S | S | * | * | trans | -87.5 | 145.8 | -167.2 | 33.1 | -33.4 | 0 | 0 | 0 | 113.3 | ||||
| 445 | K | 31.9 | Very low | 29.7 | Very low | 196 Ų | 196 | 164 Ų | 164 | 85% | 0.852 | 84% | 0.835 | S | S | * | * | trans | 46.6 | 102.5 | 139.1 | -59.6 | 173.8 | 179.8 | 178.3 | 0 | 117.2 | ||||
| 446 | Q | 31.3 | Very low | 29.6 | Very low | 188 Ų | 188 | 165 Ų | 165 | 88% | 0.879 | 84% | 0.842 | S | S | * | * | trans | -170.2 | 105.7 | 133.5 | -72.8 | -148.8 | -25.9 | 0 | 0 | 107.7 | ||||
| 447 | L | 27.6 | Very low | 29.8 | Very low | 167 Ų | 167 | 168.6 Ų | 168.6 | 87% | 0.874 | 84% | 0.842 | S | S | * | * | S | Bend | trans | 177.1 | 29.2 | 157 | -101.6 | 163.9 | 0 | 0 | 0 | 114.6 | ||
| 448 | V | 30.3 | Very low | 29.9 | Very low | 150 Ų | 150 | 165.7 Ų | 165.7 | 91% | 0.909 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -128.2 | 29.4 | -180 | -164.6 | 0 | 0 | 0 | 0 | 112.6 | ||
| 449 | S | 29.8 | Very low | 30 | Very low | 114 Ų | 114 | 162.6 Ų | 162.6 | 80% | 0.797 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -117 | 4.6 | 179.6 | 50.5 | 0 | 0 | 0 | 0 | 115.7 | ||
| 450 | E | 30.1 | Very low | 30.2 | Very low | 174 Ų | 174 | 165.2 Ų | 165.2 | 81% | 0.813 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -107.2 | 1.7 | -174.2 | -76.9 | -169.5 | 159.1 | 0 | 0 | 117.2 | ||
| 451 | L | 26.8 | Very low | 30.1 | Very low | 172 Ų | 172 | 166.1 Ų | 166.1 | 90% | 0.901 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -133.4 | 16.9 | -174.3 | -77.2 | 173.9 | 0 | 0 | 0 | 117.8 | ||
| 452 | K | 29.1 | Very low | 30.1 | Very low | 202 Ų | 202 | 166.9 Ų | 166.9 | 88% | 0.878 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -146 | 71.9 | 171.8 | -72.6 | -170.2 | 178.5 | 179.6 | 0 | 113 | ||
| 453 | Q | 28.9 | Very low | 30.1 | Very low | 178 Ų | 178 | 162.4 Ų | 162.4 | 83% | 0.832 | 84% | 0.835 | S | S | * | * | trans | -168.6 | 69.2 | 155.7 | -109.5 | 167.9 | 30 | 0 | 0 | 110.5 | ||||
| 454 | N | 29.8 | Very low | 30 | Very low | 157 Ų | 157 | 162.7 Ų | 162.7 | 84% | 0.84 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -128.6 | 87.2 | 153.7 | -87.6 | -31.4 | 0 | 0 | 0 | 108.3 | ||
| 455 | F | 29.5 | Very low | 29.7 | Very low | 168 Ų | 168 | 163.7 Ų | 163.7 | 74% | 0.737 | 84% | 0.84 | S | S | * | * | trans | 35.7 | 100.8 | 145 | -63.9 | -81 | 0 | 0 | 0 | 118.2 | H457 | F455-H457 PolarHBondContact O-N 3.2Å; F455-H457 VanDerWaalsContact O-N 3.08Å | ||
| 456 | S | 26.6 | Very low | 29.4 | Very low | 124 Ų | 124 | 158.9 Ų | 158.9 | 87% | 0.867 | 83% | 0.831 | S | S | * | * | trans | -50.3 | 99 | 147.3 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 457 | H | 33.7 | Very low | 29.6 | Very low | 174 Ų | 174 | 154.9 Ų | 154.9 | 81% | 0.806 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 136.4 | 158.6 | -99 | -83.4 | 0 | 0 | 0 | 109.7 | F455 | F455-H457 PolarHBondContact O-N 3.2Å; F455-H457 VanDerWaalsContact O-N 3.08Å |
| 458 | K | 31.6 | Very low | 29.6 | Very low | 177 Ų | 177 | 155.7 Ų | 155.7 | 77% | 0.77 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 154.4 | -172 | -81.2 | 174.1 | 171.3 | 179.6 | 0 | 113 | ||
| 459 | P | 31.2 | Very low | 29.6 | Very low | 127 Ų | 127 | 153.9 Ų | 153.9 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 125.6 | 172.1 | 31.9 | -30.3 | 0 | 0 | 0 | 109.4 | ||
| 460 | E | 33.1 | Very low | 29.6 | Very low | 182 Ų | 182 | 154.7 Ų | 154.7 | 85% | 0.85 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 147.1 | 173.9 | -62.1 | -171.8 | -173.3 | 0 | 0 | 109.9 | ||
| 461 | D | 31.4 | Very low | 29.5 | Very low | 158 Ų | 158 | 155 Ų | 155 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 153.4 | -158.9 | -64.1 | -62.6 | 0 | 0 | 0 | 115.7 | A463 | D461-A463 PolarHBondContact O-N 2.97Å; D461-A463 VanDerWaalsContact O-N 3.1Å |
| 462 | E | 28.5 | Very low | 29.6 | Very low | 202 Ų | 202 | 153.4 Ų | 153.4 | 94% | 0.944 | 82% | 0.821 | S | S | * | * | trans | -55 | 101.9 | 170.9 | -61.1 | 172.2 | 160.2 | 0 | 0 | 111.3 | ||||
| 463 | A | 30.3 | Very low | 29.5 | Very low | 94 Ų | 94 | 148.2 Ų | 148.2 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | trans | -100.9 | 97.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | D461 C465 | D461-A463 PolarHBondContact O-N 2.97Å; D461-A463 VanDerWaalsContact O-N 3.1Å; A463-C465 PolarHBondContact O-N 2.81Å | ||
| 464 | Y | 26.1 | Very low | 29.6 | Very low | 213 Ų | 213 | 148.9 Ų | 148.9 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | -57.5 | 110.4 | 166 | -168.3 | -97.9 | 0 | 0 | 0 | 110.1 | S466 | Y464-S466 WeakPolarHBondContact CD1-OG 3.41Å; Y464-S466 WeakPolarHBondContact CE1-OG 3.36Å | ||
| 465 | C | 25.7 | Very low | 29.4 | Very low | 121 Ų | 121 | 149.2 Ų | 149.2 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -115.3 | 95.8 | 167.7 | -100.9 | 0 | 0 | 0 | 0 | 109.4 | A463 S467 | A463-C465 PolarHBondContact O-N 2.81Å; C465-S467 PolarHBondContact O-N 2.96Å | ||
| 466 | S | 27.1 | Very low | 29.3 | Very low | 94 Ų | 94 | 144.1 Ų | 144.1 | 66% | 0.657 | 81% | 0.811 | S | S | * | * | trans | -65.8 | 106.3 | 157.6 | -7.6 | 0 | 0 | 0 | 0 | 108.1 | Y464 | Y464-S466 WeakPolarHBondContact CD1-OG 3.41Å; Y464-S466 WeakPolarHBondContact CE1-OG 3.36Å | ||
| 467 | S | 33.6 | Very low | 29.3 | Very low | 104 Ų | 104 | 147.3 Ų | 147.3 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -121 | 100.8 | 162.6 | 60.5 | 0 | 0 | 0 | 0 | 108.6 | C465 S469 | C465-S467 PolarHBondContact O-N 2.96Å; S467-S469 PolarHBondContact O-N 3.1Å; S467-S469 VanDerWaalsContact O-N 3.14Å | ||
| 468 | E | 28.2 | Very low | 29 | Very low | 184 Ų | 184 | 150 Ų | 150 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -51.8 | 105.6 | 161.9 | -63.5 | 167.1 | 150.5 | 0 | 0 | 109 | ||||
| 469 | S | 29.8 | Very low | 28.8 | Very low | 112 Ų | 112 | 149.8 Ų | 149.8 | 78% | 0.783 | 82% | 0.818 | S | S | * | * | trans | -107.2 | 92.5 | 157.5 | 67.7 | 0 | 0 | 0 | 0 | 107.9 | S467 E471 | S467-S469 PolarHBondContact O-N 3.1Å; S467-S469 VanDerWaalsContact O-N 3.14Å; S469-E471 PolarHBondContact O-N 3.25Å | ||
| 470 | T | 29.8 | Very low | 28.5 | Very low | 132 Ų | 132 | 149.3 Ų | 149.3 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | trans | -61.3 | 87.7 | 172.4 | 48.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 471 | E | 28.9 | Very low | 28.3 | Very low | 180 Ų | 180 | 146.9 Ų | 146.9 | 84% | 0.841 | 82% | 0.815 | S | S | * | * | trans | -159 | 60.5 | 165.7 | -142.8 | 171.3 | -166.6 | 0 | 0 | 114.3 | S469 | S469-E471 PolarHBondContact O-N 3.25Š| ||
| 472 | C | 28.3 | Very low | 28.1 | Very low | 138 Ų | 138 | 147.4 Ų | 147.4 | 93% | 0.932 | 82% | 0.818 | S | S | * | * | trans | -158.3 | 61.9 | 160.6 | -96.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 473 | A | 27.5 | Very low | 28.1 | Very low | 94 Ų | 94 | 140.8 Ų | 140.8 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | trans | -138 | 87.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 474 | K | 30.6 | Very low | 27.9 | Very low | 191 Ų | 191 | 146.6 Ų | 146.6 | 83% | 0.83 | 81% | 0.812 | S | S | * | * | trans | -164.8 | 114.3 | 157 | -105.6 | 163.3 | -166.5 | -177.7 | 0 | 111.6 | ||||
| 475 | I | 26.9 | Very low | 28 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | trans | 82.6 | 120.6 | 138.8 | -53.7 | 158.7 | 0 | 0 | 0 | 116.8 | ||||
| 476 | G | 27.3 | Very low | 28.2 | Very low | 61 Ų | 61 | 141.4 Ų | 141.4 | 63% | 0.629 | 80% | 0.803 | S | S | * | * | trans | 138.8 | 70.6 | 145.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y478 | G476-Y478 PolarHBondContact O-N 3.18Š| ||
| 477 | Q | 26.4 | Very low | 28.4 | Very low | 192 Ų | 192 | 145.9 Ų | 145.9 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | trans | -52.7 | 115.1 | 162.8 | -69.4 | 163.3 | -22.5 | 0 | 0 | 110 | ||||
| 478 | Y | 26.4 | Very low | 28.3 | Very low | 229 Ų | 229 | 149.6 Ų | 149.6 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | trans | -109.1 | 131.8 | 158.6 | -101.5 | -88.7 | 0 | 0 | 0 | 109.4 | G476 | G476-Y478 PolarHBondContact O-N 3.18Š| ||
| 479 | H | 28.8 | Very low | 28.5 | Very low | 174 Ų | 174 | 145 Ų | 145 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | trans | -59.2 | 138.2 | -169.5 | -85.4 | -100.1 | 0 | 0 | 0 | 113.6 | T481 | H479-T481 PolarHBondContact O-N 3.29Š| ||
| 480 | S | 24.4 | Very low | 28.7 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -53.9 | 120.5 | 165.5 | -144.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 481 | T | 29.4 | Very low | 29.3 | Very low | 131 Ų | 131 | 142.6 Ų | 142.6 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -125.8 | 128.2 | 159.9 | 49.6 | 0 | 0 | 0 | 0 | 109.3 | H479 | H479-T481 PolarHBondContact O-N 3.29Š| ||
| 482 | N | 26.2 | Very low | 30 | Very low | 169 Ų | 169 | 136.6 Ų | 136.6 | 90% | 0.904 | 77% | 0.771 | S | S | * | * | trans | -54 | 134.1 | -176.5 | -64.1 | -46.3 | 0 | 0 | 0 | 112.8 | ||||
| 483 | G | 28.1 | Very low | 30.6 | Very low | 63 Ų | 63 | 134.6 Ų | 134.6 | 65% | 0.649 | 75% | 0.75 | S | S | * | * | trans | -179.1 | 64.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | T485 | G483-T485 PolarHBondContact O-N 3.33Å; G483-T485 VanDerWaalsContact O-N 3.08Å | ||
| 484 | K | 26.4 | Very low | 31.5 | Very low | 217 Ų | 217 | 133.7 Ų | 133.7 | 94% | 0.943 | 74% | 0.735 | S | S | * | * | trans | 21.6 | 76.7 | 153.7 | -66.4 | 178.3 | 176.1 | 177.7 | 0 | 115.7 | S486 | K484-S486 PolarHBondContact O-N 2.94Š| ||
| 485 | T | 28.3 | Very low | 32.3 | Very low | 130 Ų | 130 | 133.8 Ų | 133.8 | 80% | 0.798 | 73% | 0.731 | S | S | * | * | trans | -79.1 | 119.7 | 167 | 48.1 | 0 | 0 | 0 | 0 | 109 | G483 E487 | G483-T485 PolarHBondContact O-N 3.33Å; G483-T485 VanDerWaalsContact O-N 3.08Å; T485-E487 PolarHBondContact O-N 3.18Å | ||
| 486 | S | 29.2 | Very low | 33.2 | Very low | 94 Ų | 94 | 131.1 Ų | 131.1 | 66% | 0.657 | 72% | 0.718 | S | S | * | * | trans | -47.4 | 118.8 | 172.2 | 57.4 | 0 | 0 | 0 | 0 | 110.4 | K484 F488 | K484-S486 PolarHBondContact O-N 2.94Å; S486-F488 PolarHBondContact O-N 2.92Å | ||
| 487 | E | 32.3 | Very low | 33.8 | Very low | 188 Ų | 188 | 132.5 Ų | 132.5 | 88% | 0.879 | 71% | 0.71 | S | S | * | * | trans | -61.1 | 101.1 | 172.6 | -70.7 | 177.4 | 158.6 | 0 | 0 | 108.6 | T485 | T485-E487 PolarHBondContact O-N 3.18Š| ||
| 488 | F | 30.9 | Very low | 35 | Very low | 182 Ų | 182 | 127.7 Ų | 127.7 | 80% | 0.798 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 128.3 | 160.5 | -83.6 | -88.4 | 0 | 0 | 0 | 107.3 | S486 T490 | S486-F488 PolarHBondContact O-N 2.92Å; F488-T490 PolarHBondContact O-N 3.01Å; F488-T490 VanDerWaalsContact O-N 3.15Å |
| 489 | P | 32.6 | Very low | 35.9 | Very low | 88 Ų | 88 | 119.6 Ų | 119.6 | 57% | 0.571 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -61 | 125 | -178 | 23 | -30.5 | 0 | 0 | 0 | 108.8 | ||
| 490 | T | 34.9 | Very low | 36.7 | Very low | 94 Ų | 94 | 117.4 Ų | 117.4 | 58% | 0.577 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 143.7 | -179.3 | 41.2 | 0 | 0 | 0 | 0 | 110.8 | F488 G492 I493 | F488-T490 PolarHBondContact O-N 3.01Å; F488-T490 VanDerWaalsContact O-N 3.15Å; T490-G492 PolarHBondContact O-N 3.31Å; T490-I493 PolarHBondContact O-N 3.35Å |
| 491 | P | 41.4 | Very low | 37.8 | Very low | 100 Ų | 100 | 118.8 Ų | 118.8 | 65% | 0.649 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -57.4 | -5.6 | -173.2 | -25.5 | 33.2 | 0 | 0 | 0 | 116.6 | ||
| 492 | G | 44 | Very low | 38.6 | Very low | 53 Ų | 53 | 116 Ų | 116 | 55% | 0.546 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -78 | -33.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T490 | T490-G492 PolarHBondContact O-N 3.31Å |
| 493 | I | 40.9 | Very low | 39.4 | Very low | 96 Ų | 96 | 111 Ų | 111 | 49% | 0.492 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -75 | -35.9 | -175.6 | -61 | 174.9 | 0 | 0 | 0 | 110.5 | T490 R495 N496 L497 | T490-I493 PolarHBondContact O-N 3.35Å; I493-R495 VanDerWaalsContact C-N 3.34Å; I493-R495 PolarHBondContact O-N 3.37Å; I493-N496 PolarHBondContact O-N 3.24Å; I493-N496 VanDerWaalsContact O-N 3.15Å; I493-L497 PolarHBondContact O-N 3Å |
| 494 | T | 45.2 | Very low | 39.9 | Very low | 75 Ų | 75 | 113.7 Ų | 113.7 | 46% | 0.46 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -65.1 | -35.7 | -178.7 | -21.2 | 0 | 0 | 0 | 0 | 112.4 | N496 L497 V498 | T494-N496 VanDerWaalsContact C-N 3.28Å; T494-N496 PolarHBondContact O-N 2.95Å; T494-L497 PolarHBondContact O-N 3.25Å; T494-V498 WeakPolarHBondContact O-CG2 3.14Å; T494-V498 PolarHBondContact O-N 2.93Å |
| 495 | R | 48.3 | Very low | 40.5 | Very low | 194 Ų | 194 | 107.1 Ų | 107.1 | 73% | 0.732 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.3 | -33 | 175.5 | -77.1 | -170.7 | 179.7 | 107 | -3.6 | 112.7 | I493 A499 | I493-R495 VanDerWaalsContact C-N 3.34Å; I493-R495 PolarHBondContact O-N 3.37Å; R495-A499 PolarHBondContact O-N 3.25Å |
| 496 | N | 46.4 | Very low | 41.3 | Very low | 107 Ų | 107 | 104.7 Ų | 104.7 | 57% | 0.572 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -75.5 | -34 | -178.2 | -143 | -43.5 | 0 | 0 | 0 | 111.9 | I493 T494 K500 | I493-N496 PolarHBondContact O-N 3.24Å; I493-N496 VanDerWaalsContact O-N 3.15Å; T494-N496 VanDerWaalsContact C-N 3.28Å; T494-N496 PolarHBondContact O-N 2.95Å; N496-K500 PolarHBondContact O-N 2.96Å; N496-K500 VanDerWaalsContact O-N 3.13Å |
| 497 | L | 39.5 | Very low | 42 | Very low | 90 Ų | 90 | 104.3 Ų | 104.3 | 47% | 0.471 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69.8 | -43 | 174.5 | -73.4 | 173.4 | 0 | 0 | 0 | 112.3 | I493 T494 A499 K500 F501 | I493-L497 PolarHBondContact O-N 3Å; T494-L497 PolarHBondContact O-N 3.25Å; L497-A499 VanDerWaalsContact C-N 3.3Å; L497-A499 PolarHBondContact O-N 3.39Å; L497-K500 PolarHBondContact O-N 2.9Å; L497-K500 VanDerWaalsContact O-N 3.13Å; L497-F501 VanDerWaalsContact O-CD2 3.29Å; L497-F501 WeakPolarHBondContact O-CD2 3.37Å; L497-F501 PolarHBondContact O-N 3.29Å |
| 498 | V | 51.3 | Low | 42.4 | Very low | 92 Ų | 92 | 101.8 Ų | 101.8 | 56% | 0.558 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -60.8 | -40.9 | 176.9 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | T494 K500 F501 S502 | T494-V498 WeakPolarHBondContact O-CG2 3.14Å; T494-V498 PolarHBondContact O-N 2.93Å; V498-K500 PolarHBondContact O-N 3.09Å; V498-F501 PolarHBondContact O-N 3.27Å; V498-S502 PolarHBondContact O-N 3.44Å; V498-S502 PolarHBondContact O-OG 3.31Å |
| 499 | A | 45.9 | Very low | 43 | Very low | 59 Ų | 59 | 97.8 Ų | 97.8 | 49% | 0.488 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.1 | -40.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R495 L497 A503 | R495-A499 PolarHBondContact O-N 3.25Å; L497-A499 VanDerWaalsContact C-N 3.3Å; L497-A499 PolarHBondContact O-N 3.39Å; A499-A503 WeakPolarHBondContact O-CB 3.47Å; A499-A503 PolarHBondContact O-N 3.38Å |
| 500 | K | 45.5 | Very low | 43.5 | Very low | 128 Ų | 128 | 98.3 Ų | 98.3 | 56% | 0.557 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.1 | -42.4 | 175.5 | -81 | -177.2 | 174.7 | -173.4 | 0 | 112.5 | N496 L497 V498 A503 L504 | N496-K500 PolarHBondContact O-N 2.96Å; N496-K500 VanDerWaalsContact O-N 3.13Å; L497-K500 PolarHBondContact O-N 2.9Å; L497-K500 VanDerWaalsContact O-N 3.13Å; V498-K500 PolarHBondContact O-N 3.09Å; K500-A503 PolarHBondContact O-N 3.3Å; K500-L504 PolarHBondContact O-N 3.45Å |
| 501 | F | 47.4 | Very low | 44 | Very low | 145 Ų | 145 | 98.5 Ų | 98.5 | 64% | 0.636 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.1 | -39.1 | 178.3 | -84.2 | -74.8 | 0 | 0 | 0 | 112.5 | L497 V498 A503 L504 S505 | L497-F501 VanDerWaalsContact O-CD2 3.29Å; L497-F501 WeakPolarHBondContact O-CD2 3.37Å; L497-F501 PolarHBondContact O-N 3.29Å; V498-F501 PolarHBondContact O-N 3.27Å; F501-A503 VanDerWaalsContact C-N 3.29Å; F501-A503 PolarHBondContact O-N 3.03Å; F501-L504 PolarHBondContact O-N 2.97Å; F501-S505 PolarHBondContact O-N 3.05Å |
| 502 | S | 46.5 | Very low | 44.2 | Very low | 71 Ų | 71 | 98.4 Ų | 98.4 | 50% | 0.497 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.7 | -32.6 | 173.3 | -63 | 0 | 0 | 0 | 0 | 112.8 | V498 S505 A506 | V498-S502 PolarHBondContact O-N 3.44Å; V498-S502 PolarHBondContact O-OG 3.31Å; S502-S505 PolarHBondContact O-OG 3.24Å; S502-S505 VanDerWaalsContact O-OG 3.14Å; S502-A506 WeakPolarHBondContact O-CB 3.28Å; S502-A506 PolarHBondContact O-N 3.31Å |
| 503 | A | 41.8 | Very low | 44.2 | Very low | 64 Ų | 64 | 101.3 Ų | 101.3 | 53% | 0.529 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -71.1 | -36.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | A499 K500 F501 A506 A507 | A499-A503 WeakPolarHBondContact O-CB 3.47Å; A499-A503 PolarHBondContact O-N 3.38Å; K500-A503 PolarHBondContact O-N 3.3Å; F501-A503 VanDerWaalsContact C-N 3.29Å; F501-A503 PolarHBondContact O-N 3.03Å; A503-A506 PolarHBondContact O-N 3.49Å; A503-A507 WeakPolarHBondContact O-CB 3.36Å; A503-A507 PolarHBondContact O-N 3.47Å |
| 504 | L | 38.6 | Very low | 44.4 | Very low | 120 Ų | 120 | 101.6 Ų | 101.6 | 63% | 0.628 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.2 | -39.8 | 175.6 | -99.1 | 132 | 0 | 0 | 0 | 112.5 | K500 F501 A506 A507 S508 | K500-L504 PolarHBondContact O-N 3.45Å; F501-L504 PolarHBondContact O-N 2.97Å; L504-A506 VanDerWaalsContact C-N 3.27Å; L504-A506 PolarHBondContact O-N 3.2Å; L504-A507 PolarHBondContact O-N 3.27Å; L504-S508 PolarHBondContact O-N 2.78Å |
| 505 | S | 39.7 | Very low | 44.4 | Very low | 79 Ų | 79 | 103.5 Ų | 103.5 | 55% | 0.552 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.5 | -23.8 | 175.7 | 69.9 | 0 | 0 | 0 | 0 | 113.2 | F501 S502 A507 S508 | F501-S505 PolarHBondContact O-N 3.05Å; S502-S505 PolarHBondContact O-OG 3.24Å; S502-S505 VanDerWaalsContact O-OG 3.14Å; S505-A507 VanDerWaalsContact C-N 3.35Å; S505-S508 PolarHBondContact O-OG 3.4Å |
| 506 | A | 44.5 | Very low | 44 | Very low | 79 Ų | 79 | 96.5 Ų | 96.5 | 65% | 0.653 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -81.2 | -16.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S502 A503 L504 | S502-A506 WeakPolarHBondContact O-CB 3.28Å; S502-A506 PolarHBondContact O-N 3.31Å; A503-A506 PolarHBondContact O-N 3.49Å; L504-A506 VanDerWaalsContact C-N 3.27Å; L504-A506 PolarHBondContact O-N 3.2Å |
| 507 | A | 44.1 | Very low | 43.9 | Very low | 87 Ų | 87 | 95.7 Ų | 95.7 | 72% | 0.719 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -92.2 | -24.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A503 L504 S505 | A503-A507 WeakPolarHBondContact O-CB 3.36Å; A503-A507 PolarHBondContact O-N 3.47Å; L504-A507 PolarHBondContact O-N 3.27Å; S505-A507 VanDerWaalsContact C-N 3.35Å |
| 508 | S | 41.5 | Very low | 44.2 | Very low | 134 Ų | 134 | 96.2 Ų | 96.2 | 94% | 0.937 | 61% | 0.614 | S | S | * | * | trans | -76.4 | 0 | 167.3 | 65.8 | 0 | 0 | 0 | 0 | 111 | L504 S505 | L504-S508 PolarHBondContact O-N 2.78Å; S505-S508 PolarHBondContact O-OG 3.4Å |
Retrieved 508 of 508 residues in 66.5 ms
(Link to these results)