| 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 | 30.5 | Very low | 25.3 | Very low | 249 Ų | 249 | 152 Ų | 152 | 100% | 1.227 | 79% | 0.786 | S | S | * | * | 0 | 93.2 | 0 | -66 | -57.8 | -159.4 | 0 | 0 | 107.7 | |||||
| 2 | G | 26.7 | Very low | 25.3 | Very low | 70 Ų | 70 | 151.4 Ų | 151.4 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | -93.6 | 147.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 3 | L | 22.6 | Very low | 25.4 | Very low | 146 Ų | 146 | 154.8 Ų | 154.8 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | trans | -173.7 | 86.2 | 143.1 | -122.2 | 82.2 | 0 | 0 | 0 | 108.4 | Y5 | L3-Y5 HydrophobicContact CD1-CE2 4.33Å; L3-Y5 HydrophobicContact CD2-CD2 3.7Å; L3-Y5 HydrophobicContact CD2-CE2 3.76Å; L3-Y5 HydrophobicContact CG-CD2 3.65Å; L3-Y5 HydrophobicContact CG-CE2 3.76Å | ||
| 4 | Y | 23.3 | Very low | 25.5 | Very low | 249 Ų | 249 | 155.6 Ų | 155.6 | 98% | 0.976 | 77% | 0.773 | S | S | * | * | trans | -90.9 | 114 | 156.9 | -88.6 | -84.4 | 0 | 0 | 0 | 106.6 | ||||
| 5 | Y | 24.4 | Very low | 25.6 | Very low | 144 Ų | 144 | 154.5 Ų | 154.5 | 57% | 0.565 | 77% | 0.769 | S | S | * | * | trans | -120.1 | 154 | -180 | -109.9 | -107 | 0 | 0 | 0 | 110.4 | L3 | L3-Y5 HydrophobicContact CD1-CE2 4.33Å; L3-Y5 HydrophobicContact CD2-CD2 3.7Å; L3-Y5 HydrophobicContact CD2-CE2 3.76Å; L3-Y5 HydrophobicContact CG-CD2 3.65Å; L3-Y5 HydrophobicContact CG-CE2 3.76Å | ||
| 6 | L | 23.2 | Very low | 25.6 | Very low | 126 Ų | 126 | 154.1 Ų | 154.1 | 66% | 0.66 | 77% | 0.769 | S | S | * | * | trans | 69.4 | 78.6 | 159 | -68.8 | 151.6 | 0 | 0 | 0 | 117.3 | ||||
| 7 | I | 27.2 | Very low | 25.6 | Very low | 160 Ų | 160 | 151.8 Ų | 151.8 | 82% | 0.821 | 76% | 0.759 | S | S | * | * | trans | -112.9 | 103.9 | 132.1 | -63.1 | 178.9 | 0 | 0 | 0 | 107.2 | C9 | I7-C9 HydrophobicContact CG2-CB 4.29Š| ||
| 8 | C | 23.3 | Very low | 25.6 | Very low | 112 Ų | 112 | 150.4 Ų | 150.4 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | trans | -102.2 | 98.3 | 171.3 | -169.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 9 | C | 25.4 | Very low | 25.8 | Very low | 102 Ų | 102 | 146.3 Ų | 146.3 | 69% | 0.689 | 74% | 0.739 | S | S | * | * | trans | -118.1 | 123.5 | 177.8 | -86.4 | 0 | 0 | 0 | 0 | 110.5 | I7 | I7-C9 HydrophobicContact CG2-CB 4.29Š| ||
| 10 | F | 24.9 | Very low | 25.9 | Very low | 187 Ų | 187 | 148.6 Ų | 148.6 | 82% | 0.82 | 75% | 0.747 | S | S | * | * | trans | -57.2 | 132.7 | 161.9 | -74.3 | -120.5 | 0 | 0 | 0 | 108.9 | ||||
| 11 | I | 27 | Very low | 26 | Very low | 127 Ų | 127 | 145.9 Ų | 145.9 | 65% | 0.651 | 73% | 0.734 | S | S | * | * | trans | -130.6 | 115.2 | 153.8 | -51.5 | -178.4 | 0 | 0 | 0 | 107.6 | Y13 | I11-Y13 HydrophobicContact CB-CE2 4.39Å; I11-Y13 HydrophobicContact CG2-CD2 3.71Å; I11-Y13 HydrophobicContact CG2-CE2 3.3Å | ||
| 12 | Q | 24.5 | Very low | 25.8 | Very low | 145 Ų | 145 | 141.6 Ų | 141.6 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | trans | -104.8 | 91.7 | -172.3 | -178.9 | 170.3 | -15.7 | 0 | 0 | 108.2 | F14 | Q12-F14 HydrophobicContact CG-CD2 4.29Å; Q12-F14 HydrophobicContact CG-CE2 4.04Å; Q12-F14 PolarHBondContact O-N 3.35Å | ||
| 13 | Y | 27.7 | Very low | 25.9 | Very low | 195 Ų | 195 | 141.2 Ų | 141.2 | 77% | 0.765 | 69% | 0.694 | S | S | * | * | trans | -87.3 | 103.6 | 175.5 | -78.5 | -67.8 | 0 | 0 | 0 | 110.6 | I11 I15 | I11-Y13 HydrophobicContact CB-CE2 4.39Å; I11-Y13 HydrophobicContact CG2-CD2 3.71Å; I11-Y13 HydrophobicContact CG2-CE2 3.3Å; Y13-I15 PolarHBondContact O-N 3.49Å | ||
| 14 | F | 25.9 | Very low | 26.1 | Very low | 166 Ų | 166 | 142 Ų | 142 | 73% | 0.728 | 70% | 0.698 | S | S | * | * | trans | -71.1 | 118.2 | 160.1 | -76.7 | -97.1 | 0 | 0 | 0 | 108.4 | Q12 | Q12-F14 HydrophobicContact CG-CD2 4.29Å; Q12-F14 HydrophobicContact CG-CE2 4.04Å; Q12-F14 PolarHBondContact O-N 3.35Å | ||
| 15 | I | 27.3 | Very low | 26.4 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 71% | 0.713 | 68% | 0.678 | S | S | * | * | trans | -107.3 | 107.8 | 165.6 | -58.4 | 179.8 | 0 | 0 | 0 | 106.9 | Y13 L17 | Y13-I15 PolarHBondContact O-N 3.49Å; I15-L17 HydrophobicContact CG2-CD1 4.04Å | ||
| 16 | I | 26.1 | Very low | 26.5 | Very low | 149 Ų | 149 | 132.5 Ų | 132.5 | 76% | 0.764 | 69% | 0.687 | S | S | * | * | trans | -86.6 | 116 | 172.6 | -60.3 | 171.9 | 0 | 0 | 0 | 106.7 | ||||
| 17 | L | 25.9 | Very low | 26.8 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 60% | 0.602 | 70% | 0.695 | S | S | * | * | trans | -114.7 | 112.4 | 173.6 | -106.7 | 146.5 | 0 | 0 | 0 | 109 | I15 M115 | I15-L17 HydrophobicContact CG2-CD1 4.04Å; L17-M115 HydrophobicContact CB-CE 4.07Å | ||
| 18 | T | 25.4 | Very low | 27 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 77% | 0.773 | 69% | 0.692 | S | S | * | * | trans | -91.3 | 133.4 | 168 | 38.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 19 | I | 28.3 | Very low | 27.3 | Very low | 73 Ų | 73 | 135.5 Ų | 135.5 | 37% | 0.374 | 70% | 0.696 | S | S | . | * | trans | -120.4 | 141.9 | 176.2 | -60.5 | -140 | 0 | 0 | 0 | 109.5 | C114 M115 | I19-C114 HydrophobicContact CD1-CB 4.33Å; I19-M115 HydrophobicContact CB-CB 4.26Å; I19-M115 WeakPolarHBondContact CB-O 3.26Å; I19-M115 HydrophobicContact CD1-CB 3.76Å; I19-M115 HydrophobicContact CG1-CB 3.92Å; I19-M115 HydrophobicContact CG1-CE 4.21Å; I19-M115 WeakPolarHBondContact CG2-O 3.44Å | ||
| 20 | H | 28.1 | Very low | 27.5 | Very low | 191 Ų | 191 | 139.3 Ų | 139.3 | 88% | 0.884 | 71% | 0.708 | S | S | * | * | trans | -103 | 148.3 | 173.1 | -102.1 | -96.8 | 0 | 0 | 0 | 110.5 | ||||
| 21 | I | 29.3 | Very low | 27.7 | Very low | 92 Ų | 92 | 135.5 Ų | 135.5 | 47% | 0.472 | 71% | 0.705 | S | S | . | * | trans | -127.4 | 128.7 | -178.7 | -59.4 | 173.9 | 0 | 0 | 0 | 108.5 | Y116 | I21-Y116 WeakPolarHBondContact CD1-O 3.29Š| ||
| 22 | E | 25.6 | Very low | 27.8 | Very low | 160 Ų | 160 | 138.2 Ų | 138.2 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | trans | -107.7 | 151 | 165.4 | -79.1 | -164.7 | 127.4 | 0 | 0 | 111.2 | L40 | E22-L40 HydrophobicContact CB-CD2 4.04Å; E22-L40 HydrophobicContact CG-CD2 3.97Å | ||
| 23 | V | 27.6 | Very low | 28 | Very low | 62 Ų | 62 | 140.2 Ų | 140.2 | 38% | 0.376 | 72% | 0.724 | S | S | . | * | trans | -125.4 | 124.6 | -174 | 180 | 0 | 0 | 0 | 0 | 108.8 | L40 | V23-L40 HydrophobicContact CB-CD2 4.4Å; V23-L40 HydrophobicContact CB-CG 4.35Å | ||
| 24 | I | 28 | Very low | 28 | Very low | 163 Ų | 163 | 140.1 Ų | 140.1 | 84% | 0.836 | 73% | 0.731 | S | S | * | * | trans | -116.4 | 123.5 | 178.1 | -56.5 | 176.6 | 0 | 0 | 0 | 109.1 | ||||
| 25 | C | 28.5 | Very low | 28.1 | Very low | 84 Ų | 84 | 140.7 Ų | 140.7 | 57% | 0.568 | 74% | 0.736 | S | S | * | * | trans | -102.6 | 140.5 | 176.1 | -66.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 26 | S | 27.6 | Very low | 28.1 | Very low | 108 Ų | 108 | 142 Ų | 142 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | trans | -99.6 | 130.4 | 175 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 27 | T | 29.1 | Very low | 28.2 | Very low | 133 Ų | 133 | 139.9 Ų | 139.9 | 82% | 0.816 | 73% | 0.726 | S | S | * | * | trans | -118.2 | 112.5 | 170.7 | 58 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 28 | I | 32.3 | Very low | 28.2 | Very low | 147 Ų | 147 | 141.6 Ų | 141.6 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | trans | -132.3 | 132.2 | 166.4 | -63.5 | -178 | 0 | 0 | 0 | 107.8 | ||||
| 29 | E | 28.7 | Very low | 28.3 | Very low | 182 Ų | 182 | 146.2 Ų | 146.2 | 85% | 0.85 | 74% | 0.739 | S | S | * | * | trans | 64 | 73.6 | 178.2 | -69.1 | -175.3 | -177.1 | 0 | 0 | 118.6 | ||||
| 30 | L | 29.7 | Very low | 28.3 | Very low | 181 Ų | 181 | 147 Ų | 147 | 95% | 0.948 | 74% | 0.743 | S | S | * | * | trans | -135.4 | 129.5 | 137.5 | -93.4 | 176.9 | 0 | 0 | 0 | 110.5 | ||||
| 31 | S | 29.1 | Very low | 28.2 | Very low | 107 Ų | 107 | 140.7 Ų | 140.7 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | trans | -96.2 | 145.7 | 179.8 | 54.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 32 | Q | 29.1 | Very low | 28.1 | Very low | 185 Ų | 185 | 142.8 Ų | 142.8 | 86% | 0.864 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 63 | 58.3 | 167.7 | -55.7 | -167.8 | 1.2 | 0 | 0 | 118.5 | ||
| 33 | Q | 29 | Very low | 28.2 | Very low | 187 Ų | 187 | 138.9 Ų | 138.9 | 87% | 0.874 | 72% | 0.722 | S | S | * | * | S | Bend | 179.9 | 155 | 123.7 | -98 | 171.9 | 25.2 | 0 | 0 | 110.3 | |||
| 34 | Q | 28 | Very low | 28.2 | Very low | 192 Ų | 192 | 139.3 Ų | 139.3 | 90% | 0.897 | 73% | 0.727 | S | S | * | * | trans | 69.7 | 103.1 | 179.5 | -63.1 | 176.1 | -45 | 0 | 0 | 116.9 | ||||
| 35 | Q | 27.6 | Very low | 28.2 | Very low | 179 Ų | 179 | 134.7 Ų | 134.7 | 84% | 0.836 | 70% | 0.704 | S | S | * | * | trans | -74.7 | 154.9 | 152.2 | -63.8 | 170.3 | -70.5 | 0 | 0 | 109.8 | ||||
| 36 | Q | 26.2 | Very low | 28.2 | Very low | 165 Ų | 165 | 139 Ų | 139 | 77% | 0.771 | 71% | 0.714 | S | S | * | * | trans | 78 | 146.2 | 158.1 | -66.1 | 172.7 | -52 | 0 | 0 | 120.8 | ||||
| 37 | Q | 28.6 | Very low | 28.3 | Very low | 105 Ų | 105 | 139.5 Ų | 139.5 | 49% | 0.491 | 70% | 0.702 | S | S | . | * | trans | 89 | 99.5 | 160 | -70.1 | 175.5 | -87.1 | 0 | 0 | 119.1 | ||||
| 38 | D | 26.5 | Very low | 28.1 | Very low | 151 Ų | 151 | 140.9 Ų | 140.9 | 81% | 0.807 | 70% | 0.704 | S | S | * | * | trans | -48.9 | 149.2 | 157.1 | -45 | -83.8 | 0 | 0 | 0 | 112.4 | ||||
| 39 | R | 27.5 | Very low | 27.8 | Very low | 224 Ų | 224 | 142 Ų | 142 | 85% | 0.845 | 71% | 0.705 | S | S | * | * | trans | -136.3 | 118.8 | 173.9 | -59.3 | -171.1 | -166.3 | -161.7 | 5.1 | 110.8 | ||||
| 40 | L | 27.5 | Very low | 27.7 | Very low | 90 Ų | 90 | 143.1 Ų | 143.1 | 47% | 0.471 | 71% | 0.708 | S | S | . | * | trans | -94.7 | 155.8 | 168.8 | -76.3 | 95.9 | 0 | 0 | 0 | 111.6 | E22 V23 | E22-L40 HydrophobicContact CB-CD2 4.04Å; E22-L40 HydrophobicContact CG-CD2 3.97Å; V23-L40 HydrophobicContact CB-CD2 4.4Å; V23-L40 HydrophobicContact CB-CG 4.35Å | ||
| 41 | A | 27.1 | Very low | 27.5 | Very low | 57 Ų | 57 | 142.4 Ų | 142.4 | 47% | 0.471 | 70% | 0.7 | S | S | . | * | trans | -122.4 | 156.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | F43 | A41-F43 HydrophobicContact CB-CE2 3.99Å; A41-F43 HydrophobicContact CB-CZ 4.03Å | ||
| 42 | T | 26.9 | Very low | 27.4 | Very low | 136 Ų | 136 | 145.3 Ų | 145.3 | 83% | 0.834 | 71% | 0.707 | S | S | * | * | trans | -131.9 | 145.2 | -170.2 | -37.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 43 | F | 28.2 | Very low | 27.3 | Very low | 78 Ų | 78 | 144.8 Ų | 144.8 | 34% | 0.342 | 70% | 0.704 | S | S | . | * | trans | -149.2 | 149.4 | -169 | -51.9 | -82.2 | 0 | 0 | 0 | 109.4 | A41 L88 G117 E118 V119 | A41-F43 HydrophobicContact CB-CE2 3.99Å; A41-F43 HydrophobicContact CB-CZ 4.03Å; F43-L88 HydrophobicContact CE1-CD2 4.31Å; F43-L88 HydrophobicContact CE2-CD2 4.19Å; F43-L88 HydrophobicContact CZ-CD2 3.77Å; F43-G117 VanDerWaalsContact CB-C 3.43Å; F43-G117 VanDerWaalsContact CB-CA 3.43Å; F43-E118 WeakPolarHBondContact CA-O 3.43Å; F43-E118 VanDerWaalsContact CB-O 3.25Å; F43-E118 WeakPolarHBondContact CB-O 3.16Å; F43-E118 WeakPolarHBondContact CD1-O 3.48Å; F43-V119 HydrophobicContact CD1-CG2 3.76Å; F43-V119 HydrophobicContact CE1-CG2 3.88Å | ||
| 44 | S | 27.3 | Very low | 27.1 | Very low | 71 Ų | 71 | 140.5 Ų | 140.5 | 50% | 0.497 | 70% | 0.7 | S | S | . | * | trans | -107.3 | -151.7 | -170.3 | 153.5 | 0 | 0 | 0 | 0 | 114.9 | G117 E118 | S44-G117 CarbonylContact O-C 3.51Å; S44-G117 WeakPolarHBondContact O-CA 3.38Å; S44-G117 PolarHBondContact O-N 2.79Å; S44-E118 VanDerWaalsContact C-CB 3.47Å; S44-E118 WeakPolarHBondContact CB-OE2 3.03Å; S44-E118 VanDerWaalsContact N-CB 3.32Å; S44-E118 PolarHBondContact O-N 3.13Å; S44-E118 PolarHBondContact OG-OE2 3.35Å | ||
| 45 | L | 28.3 | Very low | 27.1 | Very low | 67 Ų | 67 | 140 Ų | 140 | 35% | 0.351 | 70% | 0.698 | S | S | . | * | trans | -177.4 | 165.4 | 142.9 | -109.8 | 168.4 | 0 | 0 | 0 | 116.2 | F47 Y116 E118 | L45-F47 HydrophobicContact CB-CE2 4.15Å; L45-F47 HydrophobicContact CD1-CZ 4.37Å; L45-F47 HydrophobicContact CD2-CZ 4.39Å; L45-Y116 HydrophobicContact CB-CG 4.28Å; L45-Y116 HydrophobicContact CD1-CD1 3.31Å; L45-Y116 HydrophobicContact CD1-CE1 4.14Å; L45-Y116 HydrophobicContact CD1-CG 3.74Å; L45-E118 VanDerWaalsContact CA-CD 3.44Å; L45-E118 VanDerWaalsContact CA-OE1 3.27Å; L45-E118 WeakPolarHBondContact CA-OE1 3.35Å; L45-E118 HydrophobicContact CD2-CG 3.94Å; L45-E118 HydrophobicContact CG-CB 4.11Å; L45-E118 HydrophobicContact CG-CG 4.01Å | ||
| 46 | K | 27.4 | Very low | 27.1 | Very low | 175 Ų | 175 | 140.3 Ų | 140.3 | 76% | 0.761 | 69% | 0.691 | S | S | * | * | trans | -143.8 | 135.9 | -178.8 | -153.5 | 170 | -170.4 | 173.1 | 0 | 116.2 | E118 | K46-E118 PolarHBondContact N-OE1 3.41Š| ||
| 47 | F | 29.6 | Very low | 27.3 | Very low | 118 Ų | 118 | 139.3 Ų | 139.3 | 52% | 0.518 | 68% | 0.68 | S | S | . | * | trans | -122.7 | 151.6 | -179 | -65.3 | -80.3 | 0 | 0 | 0 | 113.2 | L45 Y116 | L45-F47 HydrophobicContact CB-CE2 4.15Å; L45-F47 HydrophobicContact CD1-CZ 4.37Å; L45-F47 HydrophobicContact CD2-CZ 4.39Å; F47-Y116 HydrophobicContact CD2-CE2 4.16Å; F47-Y116 HydrophobicContact CE1-CE1 4.1Å; F47-Y116 HydrophobicContact CE1-CE2 4.46Å; F47-Y116 AromaticContact CE1-CZ 3.79Å; F47-Y116 WeakPolarHBondContact CE1-OH 3.15Å; F47-Y116 HydrophobicContact CE2-CD1 4.22Å; F47-Y116 AromaticContact CE2-CD2 3.7Å; F47-Y116 HydrophobicContact CE2-CD2 3.7Å; F47-Y116 AromaticContact CE2-CE1 3.87Å; F47-Y116 HydrophobicContact CE2-CE1 3.87Å; F47-Y116 AromaticContact CE2-CE2 3.29Å; F47-Y116 HydrophobicContact CE2-CE2 3.29Å; F47-Y116 HydrophobicContact CE2-CG 4.17Å; F47-Y116 AromaticContact CE2-CZ 3.41Å; F47-Y116 VanDerWaalsContact CE2-CZ 3.41Å; F47-Y116 AromaticContact CZ-CD1 3.88Å; F47-Y116 HydrophobicContact CZ-CD1 3.88Å; F47-Y116 HydrophobicContact CZ-CD2 4.12Å; F47-Y116 AromaticContact CZ-CE1 3.25Å; F47-Y116 HydrophobicContact CZ-CE1 3.25Å; F47-Y116 AromaticContact CZ-CE2 3.52Å; F47-Y116 HydrophobicContact CZ-CE2 3.52Å; F47-Y116 HydrophobicContact CZ-CG 4.3Å; F47-Y116 AromaticContact CZ-CZ 3.06Å; F47-Y116 VanDerWaalsContact CZ-OH 3.26Å; F47-Y116 WeakPolarHBondContact CZ-OH 3.36Å | ||
| 48 | L | 26 | Very low | 27.6 | Very low | 161 Ų | 161 | 142.9 Ų | 142.9 | 84% | 0.843 | 70% | 0.703 | S | S | * | * | trans | -134.3 | 123.6 | -177.6 | -84.5 | 156.2 | 0 | 0 | 0 | 111.7 | ||||
| 49 | E | 25 | Very low | 28.1 | Very low | 170 Ų | 170 | 140.7 Ų | 140.7 | 79% | 0.794 | 69% | 0.691 | S | S | * | * | trans | 30.9 | 137.2 | 166.2 | -66.2 | -172.6 | 131.8 | 0 | 0 | 123 | ||||
| 50 | F | 26.4 | Very low | 28.2 | Very low | 206 Ų | 206 | 131.7 Ų | 131.7 | 90% | 0.904 | 67% | 0.668 | S | S | * | * | trans | -113.6 | 137.2 | 169.7 | -74.2 | -97.3 | 0 | 0 | 0 | 111.3 | ||||
| 51 | H | 26.7 | Very low | 28.4 | Very low | 167 Ų | 167 | 128.8 Ų | 128.8 | 77% | 0.773 | 66% | 0.655 | S | S | * | * | trans | -116.5 | 140.3 | 170.6 | -79.7 | -61.9 | 0 | 0 | 0 | 112 | ||||
| 52 | N | 26.1 | Very low | 28.4 | Very low | 168 Ų | 168 | 132.2 Ų | 132.2 | 90% | 0.898 | 67% | 0.674 | S | S | * | * | trans | -136.1 | 118.3 | 173.9 | -147.6 | -10.1 | 0 | 0 | 0 | 109.2 | ||||
| 53 | H | 27.1 | Very low | 28.4 | Very low | 173 Ų | 173 | 128.9 Ų | 128.9 | 80% | 0.801 | 66% | 0.656 | S | S | * | * | trans | -102.1 | 119.6 | -174.4 | -102.9 | -92.5 | 0 | 0 | 0 | 111.5 | ||||
| 54 | A | 25.9 | Very low | 28.3 | Very low | 97 Ų | 97 | 128.9 Ų | 128.9 | 80% | 0.802 | 68% | 0.678 | S | S | * | * | trans | -111.3 | 145.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 55 | H | 28.4 | Very low | 28.1 | Very low | 182 Ų | 182 | 136.9 Ų | 136.9 | 84% | 0.843 | 70% | 0.697 | S | S | * | * | trans | -128 | 144.4 | 178.2 | -121.4 | -85 | 0 | 0 | 0 | 112.1 | ||||
| 56 | R | 26.5 | Very low | 28 | Very low | 185 Ų | 185 | 139.4 Ų | 139.4 | 70% | 0.698 | 72% | 0.718 | S | S | * | * | trans | -99.1 | 148.4 | -169.1 | -161.3 | -179.2 | -172.3 | -171.3 | 3.1 | 112.2 | ||||
| 57 | R | 30.8 | Very low | 27.8 | Very low | 144 Ų | 144 | 140.9 Ų | 140.9 | 54% | 0.543 | 72% | 0.724 | S | S | . | * | trans | -99.2 | 159.2 | 168.6 | -75.2 | -170.2 | 179.2 | 180 | 1.2 | 112.5 | D59 G60 C63 | R57-D59 WeakPolarHBondContact CB-OD1 3.37Å; R57-D59 PolarHBondContact O-N 2.85Å; R57-G60 PolarHBondContact O-N 2.9Å; R57-C63 HydrophobicContact CG-CB 4.45Å; R57-C63 PolarHBondContact NH1-SG 3.08Å; R57-C63 VanDerWaalsContact NH1-SG 3.37Å | ||
| 58 | N | 34.9 | Very low | 27.6 | Very low | 181 Ų | 181 | 144.9 Ų | 144.9 | 97% | 0.968 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -5.6 | -175.5 | -73.9 | -5.4 | 0 | 0 | 0 | 115.2 | ||
| 59 | D | 36.2 | Very low | 27.5 | Very low | 104 Ų | 104 | 141.9 Ų | 141.9 | 56% | 0.556 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | 0.7 | 179 | 63.2 | -15.3 | 0 | 0 | 0 | 113.1 | R57 S61 | R57-D59 WeakPolarHBondContact CB-OD1 3.37Å; R57-D59 PolarHBondContact O-N 2.85Å; D59-S61 PolarHBondContact O-N 2.89Å; D59-S61 PolarHBondContact OD1-N 2.95Å; D59-S61 PolarHBondContact OD1-OG 3.27Å; D59-S61 WeakPolarHBondContact OD2-CB 3.37Å; D59-S61 PolarHBondContact OD2-OG 2.82Å |
| 60 | G | 30.6 | Very low | 27.4 | Very low | 35 Ų | 35 | 139.8 Ų | 139.8 | 36% | 0.361 | 74% | 0.742 | S | S | . | * | S | Bend | trans | 74.1 | 1.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | R57 | R57-G60 PolarHBondContact O-N 2.9Š|
| 61 | S | 31.5 | Very low | 27.3 | Very low | 29 Ų | 29 | 135.3 Ų | 135.3 | 20% | 0.203 | 74% | 0.736 | C | S | . | * | trans | -90.4 | 137.5 | 176.1 | 86.9 | 0 | 0 | 0 | 0 | 111.2 | D59 | D59-S61 PolarHBondContact O-N 2.89Å; D59-S61 PolarHBondContact OD1-N 2.95Å; D59-S61 PolarHBondContact OD1-OG 3.27Å; D59-S61 WeakPolarHBondContact OD2-CB 3.37Å; D59-S61 PolarHBondContact OD2-OG 2.82Å | ||
| 62 | C | 27 | Very low | 27.3 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 87% | 0.872 | 74% | 0.735 | S | S | * | * | trans | -81.6 | 117.6 | 170.1 | -71.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 63 | C | 25.8 | Very low | 27.4 | Very low | 66 Ų | 66 | 130.7 Ų | 130.7 | 45% | 0.446 | 73% | 0.73 | S | S | . | * | trans | -129.2 | 114.8 | -175 | -149.6 | 0 | 0 | 0 | 0 | 110 | R57 | R57-C63 HydrophobicContact CG-CB 4.45Å; R57-C63 PolarHBondContact NH1-SG 3.08Å; R57-C63 VanDerWaalsContact NH1-SG 3.37Å | ||
| 64 | G | 26.5 | Very low | 27.3 | Very low | 79 Ų | 79 | 128.4 Ų | 128.4 | 81% | 0.814 | 73% | 0.729 | S | S | * | * | trans | -164.3 | 52.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 65 | R | 24 | Very low | 27.5 | Very low | 238 Ų | 238 | 128.7 Ų | 128.7 | 90% | 0.898 | 72% | 0.715 | S | S | * | * | trans | -68.7 | 157.4 | 169.5 | -100.1 | -176 | 179.3 | 172.2 | 0.2 | 111.7 | ||||
| 66 | P | 26.5 | Very low | 27.5 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 79% | 0.786 | 71% | 0.711 | S | S | * | * | trans | -76.1 | 152.6 | -159.9 | 31.1 | -37.6 | 0 | 0 | 0 | 113.8 | ||||
| 67 | K | 22.6 | Very low | 27.6 | Very low | 205 Ų | 205 | 124 Ų | 124 | 89% | 0.891 | 71% | 0.706 | S | S | * | * | trans | -136.6 | 135.5 | 158.8 | -84.3 | -165.2 | 171.9 | -174 | 0 | 111.5 | S69 | K67-S69 PolarHBondContact O-N 3.22Š| ||
| 68 | Q | 25.5 | Very low | 27.5 | Very low | 202 Ų | 202 | 122.6 Ų | 122.6 | 94% | 0.944 | 71% | 0.705 | S | S | * | * | trans | -67.7 | 119.3 | 174.9 | -63.6 | 163.9 | -22 | 0 | 0 | 110.1 | ||||
| 69 | S | 23.3 | Very low | 27.2 | Very low | 99 Ų | 99 | 117.5 Ų | 117.5 | 69% | 0.692 | 68% | 0.681 | S | S | * | * | trans | -159 | 116.8 | 152.2 | 59 | 0 | 0 | 0 | 0 | 110.4 | K67 S71 | K67-S69 PolarHBondContact O-N 3.22Å; S69-S71 PolarHBondContact O-N 3.31Å | ||
| 70 | S | 23.1 | Very low | 26.9 | Very low | 126 Ų | 126 | 115 Ų | 115 | 88% | 0.881 | 67% | 0.665 | S | S | * | * | trans | -15.1 | 112.1 | 158.5 | 51.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 71 | S | 25.1 | Very low | 26.8 | Very low | 111 Ų | 111 | 118.5 Ų | 118.5 | 78% | 0.776 | 68% | 0.675 | S | S | * | * | trans | -139.6 | 117.5 | 153.7 | 50.3 | 0 | 0 | 0 | 0 | 109.2 | S69 | S69-S71 PolarHBondContact O-N 3.31Š| ||
| 72 | S | 25.1 | Very low | 26.5 | Very low | 110 Ų | 110 | 126.5 Ų | 126.5 | 77% | 0.769 | 70% | 0.702 | S | S | * | * | trans | -90.8 | 107.8 | 176 | 52.5 | 0 | 0 | 0 | 0 | 109.4 | T74 | S72-T74 PolarHBondContact O-N 3.23Š| ||
| 73 | T | 28.2 | Very low | 26.4 | Very low | 129 Ų | 129 | 130.2 Ų | 130.2 | 79% | 0.791 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 126.5 | 169.8 | -52.7 | 0 | 0 | 0 | 0 | 108.9 | ||
| 74 | T | 26.4 | Very low | 26.5 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 77% | 0.767 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 118.7 | -177.4 | -46.6 | 0 | 0 | 0 | 0 | 109.3 | S72 | S72-T74 PolarHBondContact O-N 3.23Š|
| 75 | I | 29.2 | Very low | 26.4 | Very low | 102 Ų | 102 | 136.9 Ų | 136.9 | 52% | 0.523 | 72% | 0.721 | S | S | . | * | P | Polyproline II helix | trans | -93.7 | 131.9 | 173.4 | -57.4 | 174.4 | 0 | 0 | 0 | 107.7 | V77 I100 | I75-V77 HydrophobicContact CG2-CG2 4.19Å; I75-I100 HydrophobicContact CD1-CD1 4.25Å |
| 76 | K | 28.1 | Very low | 26.4 | Very low | 172 Ų | 172 | 130.2 Ų | 130.2 | 75% | 0.748 | 71% | 0.71 | S | S | * | * | trans | -104.4 | 125.9 | 176.1 | -155 | -169.9 | -177.4 | -142.2 | 0 | 108.9 | E78 | K76-E78 WeakPolarHBondContact CE-OE1 3.41Å; K76-E78 IonicContact NZ-OE1 3.17Å; K76-E78 PolarHBondContact NZ-OE1 3.16Å | ||
| 77 | V | 30.1 | Very low | 26.4 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 59% | 0.588 | 71% | 0.713 | S | S | * | * | trans | -123.7 | 137 | 177.8 | -175.9 | 0 | 0 | 0 | 0 | 107.2 | I75 T79 | I75-V77 HydrophobicContact CG2-CG2 4.19Å; V77-T79 HydrophobicContact CG1-CG2 4.33Å | ||
| 78 | E | 28.3 | Very low | 26.6 | Very low | 115 Ų | 115 | 123.5 Ų | 123.5 | 54% | 0.537 | 69% | 0.691 | S | S | . | * | trans | -115.2 | 126.4 | -178 | -64.6 | -175.9 | 164.6 | 0 | 0 | 109.7 | K76 T121 | K76-E78 WeakPolarHBondContact CE-OE1 3.41Å; K76-E78 IonicContact NZ-OE1 3.17Å; K76-E78 PolarHBondContact NZ-OE1 3.16Å; E78-T121 HydrophobicContact CB-CG2 4.33Å; E78-T121 PolarHBondContact O-OG1 2.82Å | ||
| 79 | T | 28.9 | Very low | 26.6 | Very low | 73 Ų | 73 | 118.6 Ų | 118.6 | 45% | 0.448 | 67% | 0.668 | S | S | . | * | trans | -114.4 | 117.9 | -177.2 | 155.2 | 0 | 0 | 0 | 0 | 120.2 | V77 V119 T121 | V77-T79 HydrophobicContact CG1-CG2 4.33Å; T79-V119 HydrophobicContact CG2-CB 3.97Å; T79-V119 HydrophobicContact CG2-CG1 4.38Å; T79-V119 WeakPolarHBondContact OG1-CG1 3.46Å; T79-T121 VanDerWaalsContact C-CG2 3.49Å; T79-T121 WeakPolarHBondContact CA-OG1 3.08Å; T79-T121 PolarHBondContact N-OG1 2.92Å; T79-T121 WeakPolarHBondContact O-CG2 3.31Å | ||
| 80 | E | 28.1 | Very low | 26.8 | Very low | 51 Ų | 51 | 119.6 Ų | 119.6 | 24% | 0.238 | 66% | 0.66 | C | S | . | * | trans | -125.3 | 146.7 | 155.8 | 91.9 | -162.9 | 113.4 | 0 | 0 | 112.9 | Y82 V119 Y120 T121 G122 | E80-Y82 WeakPolarHBondContact OE2-CE2 3.21Å; E80-V119 WeakPolarHBondContact O-CG1 3.46Å; E80-Y120 CarbonylContact C-O 3.56Å; E80-Y120 VanDerWaalsContact CA-O 3.25Å; E80-Y120 WeakPolarHBondContact CA-O 3.04Å; E80-Y120 VanDerWaalsContact CG-O 3.32Å; E80-Y120 WeakPolarHBondContact CG-O 2.99Å; E80-Y120 PolarHBondContact N-O 3.29Å; E80-T121 HydrophobicContact CB-CG2 4.23Å; E80-T121 PolarHBondContact N-OG1 2.92Å; E80-T121 VanDerWaalsContact OE1-CA 3.23Å; E80-T121 WeakPolarHBondContact OE1-CA 3.38Å; E80-T121 PolarHBondContact OE1-N 2.78Å; E80-G122 WeakPolarHBondContact OE1-CA 3.1Å; E80-G122 PolarHBondContact OE1-N 3.48Å; E80-G122 WeakPolarHBondContact OE2-CA 3.41Å; E80-G122 PolarHBondContact OE2-N 2.03Å | ||
| 81 | I | 28.4 | Very low | 27 | Very low | 109 Ų | 109 | 118 Ų | 118 | 56% | 0.559 | 64% | 0.635 | S | S | * | * | trans | -137.1 | 117.2 | 179.7 | -58.9 | 171.4 | 0 | 0 | 0 | 108.5 | L88 V119 | I81-L88 HydrophobicContact CD1-CD1 3.91Å; I81-V119 HydrophobicContact CG1-CG1 3.84Å | ||
| 82 | Y | 27.1 | Very low | 27.1 | Very low | 197 Ų | 197 | 115.9 Ų | 115.9 | 77% | 0.773 | 61% | 0.614 | S | S | * | * | trans | -93.5 | 100.8 | 169.5 | -95.5 | -93.4 | 0 | 0 | 0 | 110.4 | E80 | E80-Y82 WeakPolarHBondContact OE2-CE2 3.21Š| ||
| 83 | K | 25.1 | Very low | 27.3 | Very low | 207 Ų | 207 | 112.6 Ų | 112.6 | 90% | 0.9 | 59% | 0.59 | S | S | * | * | S | Bend | trans | 36.4 | 87.6 | 164.1 | -72.5 | -173 | 171.3 | -174.7 | 0 | 117.4 | ||
| 84 | A | 26.4 | Very low | 27.3 | Very low | 81 Ų | 81 | 110.1 Ų | 110.1 | 67% | 0.669 | 57% | 0.571 | S | S | * | * | trans | -146.9 | 138.3 | 152.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | C86 | A84-C86 PolarHBondContact O-N 3.27Å; A84-C86 VanDerWaalsContact O-N 3.15Å | ||
| 85 | E | 25.6 | Very low | 27.2 | Very low | 204 Ų | 204 | 112.7 Ų | 112.7 | 95% | 0.953 | 58% | 0.575 | S | S | * | * | trans | -83.7 | 82.1 | 177.4 | -68 | 177.2 | 155.4 | 0 | 0 | 110.5 | ||||
| 86 | C | 24.2 | Very low | 27 | Very low | 99 Ų | 99 | 113.3 Ų | 113.3 | 67% | 0.669 | 58% | 0.584 | S | S | * | * | trans | -145.5 | 136.6 | 167.2 | -83.5 | 0 | 0 | 0 | 0 | 108.8 | A84 L88 | A84-C86 PolarHBondContact O-N 3.27Å; A84-C86 VanDerWaalsContact O-N 3.15Å; C86-L88 PolarHBondContact O-N 2.8Å | ||
| 87 | A | 26.3 | Very low | 27 | Very low | 104 Ų | 104 | 116.1 Ų | 116.1 | 86% | 0.86 | 59% | 0.591 | S | S | * | * | trans | -78.8 | 120.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 88 | L | 25.8 | Very low | 26.9 | Very low | 80 Ų | 80 | 116.3 Ų | 116.3 | 42% | 0.419 | 59% | 0.593 | S | S | . | * | trans | -87 | 122 | 174.4 | -84.7 | 158.3 | 0 | 0 | 0 | 110.8 | F43 I81 C86 V119 | F43-L88 HydrophobicContact CE1-CD2 4.31Å; F43-L88 HydrophobicContact CE2-CD2 4.19Å; F43-L88 HydrophobicContact CZ-CD2 3.77Å; I81-L88 HydrophobicContact CD1-CD1 3.91Å; C86-L88 PolarHBondContact O-N 2.8Å; L88-V119 HydrophobicContact CD1-CG2 4.43Å | ||
| 89 | E | 26.6 | Very low | 26.8 | Very low | 99 Ų | 99 | 117.8 Ų | 117.8 | 46% | 0.463 | 61% | 0.609 | S | S | . | * | trans | -120.6 | 140.7 | 158.8 | -75.1 | -172.9 | 169.5 | 0 | 0 | 108.5 | K108 Y110 | E89-K108 HydrophobicContact CG-CB 4.49Å; E89-K108 WeakPolarHBondContact OE1-CB 3.13Å; E89-K108 WeakPolarHBondContact OE1-CD 3.05Å; E89-Y110 WeakPolarHBondContact OE2-CD2 3.18Å | ||
| 90 | F | 26.2 | Very low | 26.9 | Very low | 120 Ų | 120 | 119 Ų | 119 | 53% | 0.526 | 61% | 0.612 | S | S | . | * | trans | -136.2 | 149.3 | 177.8 | 49.6 | -98.8 | 0 | 0 | 0 | 110.7 | ||||
| 91 | R | 27.8 | Very low | 27 | Very low | 94 Ų | 94 | 127.6 Ų | 127.6 | 36% | 0.355 | 64% | 0.642 | S | S | . | * | trans | -126 | 132.7 | -176.8 | -126.5 | -178.6 | -176.1 | -173.8 | 7.8 | 110.5 | Y110 N111 G112 | R91-Y110 WeakPolarHBondContact CG-O 3.41Å; R91-N111 VanDerWaalsContact NH2-C 3.34Å; R91-N111 PolarHBondContact NH2-O 2.92Å; R91-G112 WeakPolarHBondContact CD-O 3.16Å; R91-G112 VanDerWaalsContact CG-O 3.3Å; R91-G112 WeakPolarHBondContact CG-O 3.18Å; R91-G112 VanDerWaalsContact NE-N 3.18Å; R91-G112 PolarHBondContact NE-O 3.47Å | ||
| 92 | I | 27.7 | Very low | 27.2 | Very low | 66 Ų | 66 | 126.8 Ų | 126.8 | 34% | 0.338 | 64% | 0.638 | S | S | . | * | trans | -126.3 | 135 | 173.3 | -56.1 | 171.3 | 0 | 0 | 0 | 105.8 | Y116 | I92-Y116 HydrophobicContact CB-CE1 4.16Å; I92-Y116 HydrophobicContact CD1-CD1 4.36Å; I92-Y116 HydrophobicContact CD1-CE1 3.86Å; I92-Y116 HydrophobicContact CG1-CD1 3.99Å; I92-Y116 HydrophobicContact CG1-CE1 3.64Å; I92-Y116 HydrophobicContact CG2-CE1 3.56Å | ||
| 93 | C | 28.4 | Very low | 27.5 | Very low | 40 Ų | 40 | 125.3 Ų | 125.3 | 27% | 0.27 | 64% | 0.643 | S | S | . | * | trans | -130.9 | 160.8 | 156.8 | -80.7 | 0 | 0 | 0 | 0 | 110.3 | G112 P113 C114 | C93-G112 PolarHBondContact SG-O 2.78Å; C93-P113 HydrophobicContact CB-CB 4.44Å; C93-C114 PolarHBondContact O-SG 2.63Å | ||
| 94 | I | 28.5 | Very low | 27.9 | Very low | 77 Ų | 77 | 118.8 Ų | 118.8 | 40% | 0.395 | 62% | 0.623 | S | S | . | * | trans | -127.4 | 126.9 | 177.2 | -54.7 | 173.5 | 0 | 0 | 0 | 103.4 | I100 | I94-I100 HydrophobicContact CD1-CD1 4.17Š| ||
| 95 | E | 24.8 | Very low | 28.2 | Very low | 180 Ų | 180 | 121.6 Ų | 121.6 | 84% | 0.841 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -67.8 | 137 | 168.3 | -63.6 | -170.7 | 157.9 | 0 | 0 | 108.5 | ||
| 96 | T | 25 | Very low | 28.5 | Very low | 115 Ų | 115 | 119.9 Ų | 119.9 | 71% | 0.706 | 62% | 0.624 | S | S | * | * | S | Bend | trans | 93.1 | 142.8 | -172.1 | 76.8 | 0 | 0 | 0 | 0 | 117.8 | T98 | T96-T98 PolarHBondContact O-N 3Š|
| 97 | Y | 27.3 | Very low | 28.9 | Very low | 231 Ų | 231 | 118.2 Ų | 118.2 | 91% | 0.906 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -52.3 | 85.6 | -165.7 | -54 | -95.7 | 0 | 0 | 0 | 117.2 | ||
| 98 | T | 27.6 | Very low | 29.1 | Very low | 101 Ų | 101 | 121.3 Ų | 121.3 | 62% | 0.62 | 61% | 0.606 | S | S | * | * | trans | -142.4 | 142.1 | 163.2 | 45.9 | 0 | 0 | 0 | 0 | 113.2 | T96 | T96-T98 PolarHBondContact O-N 3Š| ||
| 99 | T | 27.8 | Very low | 29.2 | Very low | 145 Ų | 145 | 122.6 Ų | 122.6 | 89% | 0.89 | 61% | 0.612 | S | S | * | * | trans | -100.6 | 118.8 | 169.6 | 41.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 100 | I | 29.8 | Very low | 29.2 | Very low | 100 Ų | 100 | 124.9 Ų | 124.9 | 51% | 0.513 | 62% | 0.617 | S | S | . | * | trans | -88.6 | 126.5 | 175.9 | -60.2 | 175.2 | 0 | 0 | 0 | 108.9 | I75 I94 I102 | I75-I100 HydrophobicContact CD1-CD1 4.25Å; I94-I100 HydrophobicContact CD1-CD1 4.17Å; I100-I102 HydrophobicContact CG2-CG1 4.26Å | ||
| 101 | R | 31.4 | Very low | 29.3 | Very low | 230 Ų | 230 | 125.8 Ų | 125.8 | 87% | 0.868 | 63% | 0.628 | S | S | * | * | trans | -101.5 | 103.5 | 174.7 | -126.1 | -177.7 | -174.8 | 175 | 1.8 | 109.2 | L103 | R101-L103 PolarHBondContact O-N 2.71Š| ||
| 102 | I | 32.6 | Very low | 29.3 | Very low | 92 Ų | 92 | 122.1 Ų | 122.1 | 47% | 0.472 | 62% | 0.619 | S | S | . | * | trans | -80.4 | 112.4 | 173.8 | -56.5 | 176.6 | 0 | 0 | 0 | 108.1 | I100 | I100-I102 HydrophobicContact CG2-CG1 4.26Š| ||
| 103 | L | 31.8 | Very low | 29.2 | Very low | 167 Ų | 167 | 122.5 Ų | 122.5 | 87% | 0.874 | 63% | 0.626 | S | S | * | * | trans | -100.9 | 88.6 | 172 | -70.4 | 169.1 | 0 | 0 | 0 | 108.4 | R101 | R101-L103 PolarHBondContact O-N 2.71Š| ||
| 104 | S | 34.8 | Very low | 28.9 | Very low | 69 Ų | 69 | 123.3 Ų | 123.3 | 48% | 0.483 | 63% | 0.631 | S | S | . | * | trans | -142.8 | 135.6 | 174.4 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | N106 | S104-N106 PolarHBondContact O-N 2.85Å; S104-N106 VanDerWaalsContact O-N 3.12Å | ||
| 105 | N | 31.6 | Very low | 28.6 | Very low | 141 Ų | 141 | 121.3 Ų | 121.3 | 75% | 0.754 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | 11 | -168.5 | -79.3 | -15.7 | 0 | 0 | 0 | 115 | ||
| 106 | N | 33.3 | Very low | 28.6 | Very low | 167 Ų | 167 | 115.1 Ų | 115.1 | 89% | 0.893 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.6 | 23 | -175.6 | -104.7 | -15.5 | 0 | 0 | 0 | 115.7 | S104 | S104-N106 PolarHBondContact O-N 2.85Å; S104-N106 VanDerWaalsContact O-N 3.12Å |
| 107 | T | 32.1 | Very low | 28.5 | Very low | 65 Ų | 65 | 110.7 Ų | 110.7 | 40% | 0.399 | 57% | 0.567 | S | S | . | * | trans | -117.4 | 127 | -174.7 | 50.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 108 | K | 29.8 | Very low | 28.4 | Very low | 169 Ų | 169 | 102.5 Ų | 102.5 | 74% | 0.735 | 54% | 0.537 | S | S | * | . | trans | -65.5 | 153.8 | 162.7 | -70.5 | -176.8 | 177.9 | 179.9 | 0 | 110.4 | E89 | E89-K108 HydrophobicContact CG-CB 4.49Å; E89-K108 WeakPolarHBondContact OE1-CB 3.13Å; E89-K108 WeakPolarHBondContact OE1-CD 3.05Å | ||
| 109 | I | 28.7 | Very low | 28.4 | Very low | 106 Ų | 106 | 98.9 Ų | 98.9 | 54% | 0.544 | 51% | 0.514 | S | S | . | . | trans | -123.6 | 127.9 | -174.7 | -58.5 | 174.6 | 0 | 0 | 0 | 109.5 | ||||
| 110 | Y | 26.6 | Very low | 28.2 | Very low | 147 Ų | 147 | 100.7 Ų | 100.7 | 58% | 0.576 | 51% | 0.506 | S | S | * | . | trans | -129.1 | 123.3 | 173.8 | -122.7 | -78.9 | 0 | 0 | 0 | 110.8 | E89 R91 | E89-Y110 WeakPolarHBondContact OE2-CD2 3.18Å; R91-Y110 WeakPolarHBondContact CG-O 3.41Å | ||
| 111 | N | 28.3 | Very low | 28.1 | Very low | 140 Ų | 140 | 99.2 Ų | 99.2 | 75% | 0.749 | 50% | 0.502 | S | S | * | . | trans | -103.2 | 117.2 | -172.6 | -70 | -39.5 | 0 | 0 | 0 | 111.8 | R91 | R91-N111 VanDerWaalsContact NH2-C 3.34Å; R91-N111 PolarHBondContact NH2-O 2.92Å | ||
| 112 | G | 27.4 | Very low | 27.8 | Very low | 16 Ų | 16 | 90 Ų | 90 | 17% | 0.165 | 48% | 0.479 | C | S | . | . | S | Bend | trans | 153 | 172.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R91 C93 | R91-G112 WeakPolarHBondContact CD-O 3.16Å; R91-G112 VanDerWaalsContact CG-O 3.3Å; R91-G112 WeakPolarHBondContact CG-O 3.18Å; R91-G112 VanDerWaalsContact NE-N 3.18Å; R91-G112 PolarHBondContact NE-O 3.47Å; C93-G112 PolarHBondContact SG-O 2.78Å |
| 113 | P | 25.2 | Very low | 27.5 | Very low | 75 Ų | 75 | 93.1 Ų | 93.1 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -74.3 | 125.8 | -150.2 | 26.3 | -34.5 | 0 | 0 | 0 | 115.7 | C93 I389 | C93-P113 HydrophobicContact CB-CB 4.44Å; P113-I389 HydrophobicContact CG-CD1 4.4Å |
| 114 | C | 21.8 | Very low | 27.1 | Very low | 57 Ų | 57 | 97.2 Ų | 97.2 | 39% | 0.385 | 50% | 0.495 | S | S | . | . | trans | 50.5 | 149.1 | 149 | -54 | 0 | 0 | 0 | 0 | 122 | I19 C93 | I19-C114 HydrophobicContact CD1-CB 4.33Å; C93-C114 PolarHBondContact O-SG 2.63Å | ||
| 115 | M | 23.6 | Very low | 26.7 | Very low | 34 Ų | 34 | 96.8 Ų | 96.8 | 17% | 0.167 | 50% | 0.501 | C | S | . | . | cis | -159.7 | 140.3 | -17.1 | -111.4 | 160.8 | 55.9 | 0 | 0 | 110.5 | L17 I19 | L17-M115 HydrophobicContact CB-CE 4.07Å; I19-M115 HydrophobicContact CB-CB 4.26Å; I19-M115 WeakPolarHBondContact CB-O 3.26Å; I19-M115 HydrophobicContact CD1-CB 3.76Å; I19-M115 HydrophobicContact CG1-CB 3.92Å; I19-M115 HydrophobicContact CG1-CE 4.21Å; I19-M115 WeakPolarHBondContact CG2-O 3.44Å | ||
| 116 | Y | 23.1 | Very low | 26.4 | Very low | 51 Ų | 51 | 97.1 Ų | 97.1 | 20% | 0.2 | 50% | 0.503 | C | S | . | . | trans | 63 | 116.5 | 144.6 | -57.5 | -30.7 | 0 | 0 | 0 | 124.7 | I21 L45 F47 I92 | I21-Y116 WeakPolarHBondContact CD1-O 3.29Å; L45-Y116 HydrophobicContact CB-CG 4.28Å; L45-Y116 HydrophobicContact CD1-CD1 3.31Å; L45-Y116 HydrophobicContact CD1-CE1 4.14Å; L45-Y116 HydrophobicContact CD1-CG 3.74Å; F47-Y116 HydrophobicContact CD2-CE2 4.16Å; F47-Y116 HydrophobicContact CE1-CE1 4.1Å; F47-Y116 HydrophobicContact CE1-CE2 4.46Å; F47-Y116 AromaticContact CE1-CZ 3.79Å; F47-Y116 WeakPolarHBondContact CE1-OH 3.15Å; F47-Y116 HydrophobicContact CE2-CD1 4.22Å; F47-Y116 AromaticContact CE2-CD2 3.7Å; F47-Y116 HydrophobicContact CE2-CD2 3.7Å; F47-Y116 AromaticContact CE2-CE1 3.87Å; F47-Y116 HydrophobicContact CE2-CE1 3.87Å; F47-Y116 AromaticContact CE2-CE2 3.29Å; F47-Y116 HydrophobicContact CE2-CE2 3.29Å; F47-Y116 HydrophobicContact CE2-CG 4.17Å; F47-Y116 AromaticContact CE2-CZ 3.41Å; F47-Y116 VanDerWaalsContact CE2-CZ 3.41Å; F47-Y116 AromaticContact CZ-CD1 3.88Å; F47-Y116 HydrophobicContact CZ-CD1 3.88Å; F47-Y116 HydrophobicContact CZ-CD2 4.12Å; F47-Y116 AromaticContact CZ-CE1 3.25Å; F47-Y116 HydrophobicContact CZ-CE1 3.25Å; F47-Y116 AromaticContact CZ-CE2 3.52Å; F47-Y116 HydrophobicContact CZ-CE2 3.52Å; F47-Y116 HydrophobicContact CZ-CG 4.3Å; F47-Y116 AromaticContact CZ-CZ 3.06Å; F47-Y116 VanDerWaalsContact CZ-OH 3.26Å; F47-Y116 WeakPolarHBondContact CZ-OH 3.36Å; I92-Y116 HydrophobicContact CB-CE1 4.16Å; I92-Y116 HydrophobicContact CD1-CD1 4.36Å; I92-Y116 HydrophobicContact CD1-CE1 3.86Å; I92-Y116 HydrophobicContact CG1-CD1 3.99Å; I92-Y116 HydrophobicContact CG1-CE1 3.64Å; I92-Y116 HydrophobicContact CG2-CE1 3.56Å | ||
| 117 | G | 24.5 | Very low | 26.2 | Very low | 22 Ų | 22 | 95.6 Ų | 95.6 | 23% | 0.227 | 50% | 0.5 | C | S | . | . | trans | -154.2 | 130.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F43 S44 | F43-G117 VanDerWaalsContact CB-C 3.43Å; F43-G117 VanDerWaalsContact CB-CA 3.43Å; S44-G117 CarbonylContact O-C 3.51Å; S44-G117 WeakPolarHBondContact O-CA 3.38Å; S44-G117 PolarHBondContact O-N 2.79Å | ||
| 118 | E | 24.7 | Very low | 25.9 | Very low | 58 Ų | 58 | 99.8 Ų | 99.8 | 27% | 0.271 | 52% | 0.52 | S | S | . | . | trans | -87 | 131.1 | -179.6 | -134 | 160.3 | -141.9 | 0 | 0 | 113.4 | F43 S44 L45 K46 | F43-E118 WeakPolarHBondContact CA-O 3.43Å; F43-E118 VanDerWaalsContact CB-O 3.25Å; F43-E118 WeakPolarHBondContact CB-O 3.16Å; F43-E118 WeakPolarHBondContact CD1-O 3.48Å; S44-E118 VanDerWaalsContact C-CB 3.47Å; S44-E118 WeakPolarHBondContact CB-OE2 3.03Å; S44-E118 VanDerWaalsContact N-CB 3.32Å; S44-E118 PolarHBondContact O-N 3.13Å; S44-E118 PolarHBondContact OG-OE2 3.35Å; L45-E118 VanDerWaalsContact CA-CD 3.44Å; L45-E118 VanDerWaalsContact CA-OE1 3.27Å; L45-E118 WeakPolarHBondContact CA-OE1 3.35Å; L45-E118 HydrophobicContact CD2-CG 3.94Å; L45-E118 HydrophobicContact CG-CB 4.11Å; L45-E118 HydrophobicContact CG-CG 4.01Å; K46-E118 PolarHBondContact N-OE1 3.41Å | ||
| 119 | V | 26.8 | Very low | 25.8 | Very low | 25 Ų | 25 | 99.8 Ų | 99.8 | 15% | 0.152 | 53% | 0.526 | C | S | . | . | trans | -106.5 | 127.6 | 170 | 177 | 0 | 0 | 0 | 0 | 107 | F43 T79 E80 I81 L88 | F43-V119 HydrophobicContact CD1-CG2 3.76Å; F43-V119 HydrophobicContact CE1-CG2 3.88Å; T79-V119 HydrophobicContact CG2-CB 3.97Å; T79-V119 HydrophobicContact CG2-CG1 4.38Å; T79-V119 WeakPolarHBondContact OG1-CG1 3.46Å; E80-V119 WeakPolarHBondContact O-CG1 3.46Å; I81-V119 HydrophobicContact CG1-CG1 3.84Å; L88-V119 HydrophobicContact CD1-CG2 4.43Å | ||
| 120 | Y | 24.2 | Very low | 25.5 | Very low | 183 Ų | 183 | 98.2 Ų | 98.2 | 72% | 0.718 | 52% | 0.522 | S | S | * | . | trans | -59.1 | 162.2 | -179.3 | -84.5 | -86.3 | 0 | 0 | 0 | 112.5 | E80 | E80-Y120 CarbonylContact C-O 3.56Å; E80-Y120 VanDerWaalsContact CA-O 3.25Å; E80-Y120 WeakPolarHBondContact CA-O 3.04Å; E80-Y120 VanDerWaalsContact CG-O 3.32Å; E80-Y120 WeakPolarHBondContact CG-O 2.99Å; E80-Y120 PolarHBondContact N-O 3.29Å | ||
| 121 | T | 27 | Very low | 25.4 | Very low | 70 Ų | 70 | 101.6 Ų | 101.6 | 43% | 0.429 | 54% | 0.535 | S | S | . | . | trans | -139 | 136.8 | 172.9 | -48.4 | 0 | 0 | 0 | 0 | 115.5 | E78 T79 E80 | E78-T121 HydrophobicContact CB-CG2 4.33Å; E78-T121 PolarHBondContact O-OG1 2.82Å; T79-T121 VanDerWaalsContact C-CG2 3.49Å; T79-T121 WeakPolarHBondContact CA-OG1 3.08Å; T79-T121 PolarHBondContact N-OG1 2.92Å; T79-T121 WeakPolarHBondContact O-CG2 3.31Å; E80-T121 HydrophobicContact CB-CG2 4.23Å; E80-T121 PolarHBondContact N-OG1 2.92Å; E80-T121 VanDerWaalsContact OE1-CA 3.23Å; E80-T121 WeakPolarHBondContact OE1-CA 3.38Å; E80-T121 PolarHBondContact OE1-N 2.78Å | ||
| 122 | G | 25.4 | Very low | 25.2 | Very low | 36 Ų | 36 | 98.1 Ų | 98.1 | 37% | 0.371 | 53% | 0.532 | S | S | . | . | trans | -170.1 | 150.1 | -164.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | E80 | E80-G122 WeakPolarHBondContact OE1-CA 3.1Å; E80-G122 PolarHBondContact OE1-N 3.48Å; E80-G122 WeakPolarHBondContact OE2-CA 3.41Å; E80-G122 PolarHBondContact OE2-N 2.03Å | ||
| 123 | H | 25.9 | Very low | 24.9 | Very low | 157 Ų | 157 | 105.4 Ų | 105.4 | 73% | 0.727 | 57% | 0.567 | S | S | * | * | trans | -151.8 | 122.2 | -135.7 | 169.8 | 89.5 | 0 | 0 | 0 | 109.9 | ||||
| 124 | W | 24.6 | Very low | 24.8 | Very low | 254 Ų | 254 | 109 Ų | 109 | 96% | 0.962 | 58% | 0.581 | S | S | * | * | trans | -140.6 | 111 | 161.5 | -88.6 | -10.7 | 0 | 0 | 0 | 111.3 | ||||
| 125 | G | 26.2 | Very low | 24.9 | Very low | 60 Ų | 60 | 115.1 Ų | 115.1 | 62% | 0.619 | 60% | 0.604 | S | S | * | * | trans | 98.6 | 98.3 | 146.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 126 | N | 25.2 | Very low | 24.9 | Very low | 148 Ų | 148 | 118.3 Ų | 118.3 | 79% | 0.791 | 64% | 0.635 | S | S | * | * | trans | 4.6 | 114.1 | 146.8 | -61.7 | -14 | 0 | 0 | 0 | 117.5 | ||||
| 127 | T | 29.8 | Very low | 25 | Very low | 135 Ų | 135 | 121.5 Ų | 121.5 | 83% | 0.828 | 67% | 0.665 | S | S | * | * | -176.7 | 136.9 | 99.1 | 33.1 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 128 | D | 24.8 | Very low | 25 | Very low | 153 Ų | 153 | 126.2 Ų | 126.2 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | trans | -64.9 | 144.4 | 167.8 | -51.8 | -77.2 | 0 | 0 | 0 | 111.5 | ||||
| 129 | I | 27.6 | Very low | 25.1 | Very low | 169 Ų | 169 | 131.5 Ų | 131.5 | 87% | 0.867 | 71% | 0.714 | S | S | * | * | trans | -163 | 139.8 | 142.2 | -97 | 142.4 | 0 | 0 | 0 | 109.4 | ||||
| 130 | T | 23.2 | Very low | 25 | Very low | 73 Ų | 73 | 135.5 Ų | 135.5 | 45% | 0.448 | 74% | 0.743 | S | S | . | * | trans | -106.8 | 167.2 | -174.9 | -35.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 131 | Y | 24.4 | Very low | 25.2 | Very low | 217 Ų | 217 | 135.5 Ų | 135.5 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | trans | 72.1 | 138.9 | 173.3 | -32.9 | -71.9 | 0 | 0 | 0 | 114.5 | ||||
| 132 | G | 22.9 | Very low | 25.3 | Very low | 67 Ų | 67 | 135.6 Ų | 135.6 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | cis | 155.7 | 127 | -4.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 133 | L | 22.5 | Very low | 25.4 | Very low | 170 Ų | 170 | 141.5 Ų | 141.5 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | trans | 57.6 | 112.3 | 171.8 | -58.3 | 170.3 | 0 | 0 | 0 | 117.1 | ||||
| 134 | L | 23 | Very low | 25.6 | Very low | 149 Ų | 149 | 141 Ų | 141 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | 168.9 | 142.1 | 113.9 | -88.2 | 155.8 | 0 | 0 | 0 | 110.6 | |||||
| 135 | E | 23.1 | Very low | 25.9 | Very low | 186 Ų | 186 | 136.5 Ų | 136.5 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | trans | 21.9 | 103.7 | 151.1 | -61.2 | 174.9 | -174.1 | 0 | 0 | 118.1 | ||||
| 136 | A | 24.8 | Very low | 26.5 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | -129.1 | 102.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 137 | S | 24.8 | Very low | 26.7 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -50.8 | 150.9 | 167.3 | 45.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 138 | V | 25.1 | Very low | 27 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -63.1 | 145 | 178.3 | -153.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 139 | H | 25 | Very low | 27.6 | Very low | 169 Ų | 169 | 140.8 Ų | 140.8 | 78% | 0.782 | 78% | 0.781 | S | S | * | * | trans | 86.9 | 123.2 | 166.2 | -61.7 | 109.7 | 0 | 0 | 0 | 120.8 | ||||
| 140 | S | 26.1 | Very low | 28 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | 85.2 | 112.9 | 144 | -57.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 141 | I | 26.8 | Very low | 28.9 | Very low | 183 Ų | 183 | 144.6 Ų | 144.6 | 94% | 0.938 | 80% | 0.795 | S | S | * | * | -170.8 | 132.7 | 128.7 | -94.2 | 148.5 | 0 | 0 | 0 | 108.7 | |||||
| 142 | G | 29.9 | Very low | 30.1 | Very low | 73 Ų | 73 | 139.4 Ų | 139.4 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | 144.7 | 85.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 143 | I | 28 | Very low | 31.2 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 82% | 0.821 | 79% | 0.786 | S | S | * | * | trans | -104.2 | 160.2 | 179.7 | -37.1 | 178.9 | 0 | 0 | 0 | 110.4 | ||||
| 144 | M | 29.1 | Very low | 32.6 | Very low | 146 Ų | 146 | 138.9 Ų | 138.9 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | trans | 87.3 | 136.9 | 164.7 | -57.2 | 160.2 | 58 | 0 | 0 | 115.5 | ||||
| 145 | H | 32.4 | Very low | 34.1 | Very low | 159 Ų | 159 | 136.5 Ų | 136.5 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | cis | -132.7 | 157.8 | 21.3 | -73.7 | -93.7 | 0 | 0 | 0 | 115.3 | ||||
| 146 | P | 38.7 | Very low | 36.2 | Very low | 104 Ų | 104 | 128.7 Ų | 128.7 | 68% | 0.675 | 72% | 0.716 | S | S | * | * | trans | -101.8 | 137.9 | 177.8 | 37.1 | -30.4 | 0 | 0 | 0 | 114 | ||||
| 147 | W | 27.9 | Very low | 38.6 | Very low | 238 Ų | 238 | 125.6 Ų | 125.6 | 90% | 0.902 | 69% | 0.687 | S | S | * | * | trans | -148 | 136.8 | 154.4 | -80.1 | 95.9 | 0 | 0 | 0 | 110 | ||||
| 148 | P | 36.9 | Very low | 40.7 | Very low | 121 Ų | 121 | 125.1 Ų | 125.1 | 79% | 0.786 | 68% | 0.679 | S | S | * | * | trans | -85.3 | 122 | -178.2 | 32.8 | -31.6 | 0 | 0 | 0 | 110.9 | ||||
| 149 | V | 37.2 | Very low | 42.7 | Very low | 123 Ų | 123 | 126 Ų | 126 | 75% | 0.745 | 68% | 0.675 | S | S | * | * | trans | -118.7 | 94.9 | 165.5 | -171.6 | 0 | 0 | 0 | 0 | 108.6 | R151 | V149-R151 PolarHBondContact O-N 3.36Å; V149-R151 VanDerWaalsContact O-N 3.12Å | ||
| 150 | S | 35.3 | Very low | 44.3 | Very low | 120 Ų | 120 | 126 Ų | 126 | 84% | 0.839 | 68% | 0.676 | S | S | * | * | trans | -63.4 | 107.4 | 170.2 | 41.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 151 | R | 41.9 | Very low | 46.3 | Very low | 203 Ų | 203 | 126.6 Ų | 126.6 | 77% | 0.766 | 67% | 0.67 | S | S | * | * | trans | -121.7 | 134.8 | 149.6 | -98.6 | -171.7 | -84.4 | -158 | -3.7 | 108.1 | V149 | V149-R151 PolarHBondContact O-N 3.36Å; V149-R151 VanDerWaalsContact O-N 3.12Å | ||
| 152 | P | 49.5 | Very low | 49.1 | Very low | 107 Ų | 107 | 119.3 Ų | 119.3 | 70% | 0.695 | 63% | 0.633 | S | S | * | * | trans | -65.5 | 142 | 179.1 | 28.7 | -33.7 | 0 | 0 | 0 | 109.3 | T154 | P152-T154 VanDerWaalsContact C-N 3.31Å; P152-T154 PolarHBondContact O-N 3.4Å | ||
| 153 | E | 47.7 | Very low | 51.9 | Low | 141 Ų | 141 | 116.8 Ų | 116.8 | 66% | 0.659 | 60% | 0.604 | S | S | * | * | trans | -63 | 92 | 169.4 | -68.3 | -179.4 | -179.7 | 0 | 0 | 109.3 | R155 | E153-R155 HydrophobicContact CB-CG 4.17Å; E153-R155 PolarHBondContact O-N 2.84Å; E153-R155 IonicContact OE2-CZ 2.79Å; E153-R155 VanDerWaalsContact OE2-CZ 3.32Å; E153-R155 IonicContact OE2-NE 2.76Å; E153-R155 PolarHBondContact OE2-NE 2.04Å; E153-R155 IonicContact OE2-NH2 2.65Å; E153-R155 PolarHBondContact OE2-NH2 2.96Å | ||
| 154 | T | 51.5 | Low | 54.9 | Low | 85 Ų | 85 | 113.7 Ų | 113.7 | 52% | 0.521 | 58% | 0.584 | S | S | . | * | trans | -76.1 | 69.5 | 166.2 | 48 | 0 | 0 | 0 | 0 | 108.7 | P152 S156 | P152-T154 VanDerWaalsContact C-N 3.31Å; P152-T154 PolarHBondContact O-N 3.4Å; T154-S156 PolarHBondContact O-N 2.87Å; T154-S156 PolarHBondContact O-OG 3.2Å | ||
| 155 | R | 54.9 | Low | 57.8 | Low | 99 Ų | 99 | 110.2 Ų | 110.2 | 37% | 0.374 | 57% | 0.569 | S | S | . | * | trans | -54.7 | 107 | 175 | -69.8 | -168.5 | -167.6 | -168.3 | 6.7 | 108.9 | E153 C157 V158 D171 | E153-R155 HydrophobicContact CB-CG 4.17Å; E153-R155 PolarHBondContact O-N 2.84Å; E153-R155 IonicContact OE2-CZ 2.79Å; E153-R155 VanDerWaalsContact OE2-CZ 3.32Å; E153-R155 IonicContact OE2-NE 2.76Å; E153-R155 PolarHBondContact OE2-NE 2.04Å; E153-R155 IonicContact OE2-NH2 2.65Å; E153-R155 PolarHBondContact OE2-NH2 2.96Å; R155-C157 PolarHBondContact O-N 3.46Å; R155-V158 HydrophobicContact CB-CB 4.36Å; R155-V158 HydrophobicContact CB-CG2 3.54Å; R155-V158 WeakPolarHBondContact O-CB 3.27Å; R155-V158 PolarHBondContact O-N 3.3Å; R155-V158 VanDerWaalsContact O-N 3.08Å; R155-D171 WeakPolarHBondContact CA-OD2 3.4Å; R155-D171 WeakPolarHBondContact CB-OD2 3.41Å | ||
| 156 | S | 65.7 | Low | 60.3 | Low | 23 Ų | 23 | 104.6 Ų | 104.6 | 16% | 0.161 | 55% | 0.554 | C | S | . | * | G | 310 helix | trans | -70.9 | -23.4 | -164.1 | -67.4 | 0 | 0 | 0 | 0 | 112 | T154 V158 D171 S175 | T154-S156 PolarHBondContact O-N 2.87Å; T154-S156 PolarHBondContact O-OG 3.2Å; S156-V158 VanDerWaalsContact C-N 3.32Å; S156-V158 PolarHBondContact O-N 3.33Å; S156-D171 PolarHBondContact N-OD2 3.19Å; S156-S175 VanDerWaalsContact CB-C 3.47Å; S156-S175 WeakPolarHBondContact OG-CA 3.36Å; S156-S175 PolarHBondContact OG-N 3.22Å |
| 157 | C | 75.9 | Confident | 62.7 | Low | 36 Ų | 36 | 100.3 Ų | 100.3 | 24% | 0.243 | 53% | 0.527 | C | S | . | . | G | 310 helix | trans | -82.1 | -0.5 | 174.9 | -66.2 | 0 | 0 | 0 | 0 | 115 | R155 Q159 C169 V170 | R155-C157 PolarHBondContact O-N 3.46Å; C157-Q159 VanDerWaalsContact C-N 3.3Å; C157-C169 WeakPolarHBondContact CA-SG 3.09Å; C157-C169 HydrophobicContact CB-CB 3.74Å; C157-C169 WeakPolarHBondContact CB-SG 3.05Å; C157-C169 WeakPolarHBondContact SG-CB 3.33Å; C157-C169 CovalentContact SG-SG 2.04Å; C157-C169 PolarHBondContact SG-SG 3.49Å; C157-V170 PolarHBondContact SG-N 3.29Å |
| 158 | V | 68.8 | Low | 65.4 | Low | 108 Ų | 108 | 93.2 Ų | 93.2 | 66% | 0.655 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -81.6 | -11.4 | 175.8 | 177.9 | 0 | 0 | 0 | 0 | 112 | R155 S156 E160 | R155-V158 HydrophobicContact CB-CB 4.36Å; R155-V158 HydrophobicContact CB-CG2 3.54Å; R155-V158 WeakPolarHBondContact O-CB 3.27Å; R155-V158 PolarHBondContact O-N 3.3Å; R155-V158 VanDerWaalsContact O-N 3.08Å; S156-V158 VanDerWaalsContact C-N 3.32Å; S156-V158 PolarHBondContact O-N 3.33Å; V158-E160 PolarHBondContact O-N 2.03Å |
| 159 | Q | 66.4 | Low | 67.8 | Low | 138 Ų | 138 | 89.4 Ų | 89.4 | 65% | 0.645 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -75.6 | 102.3 | 164.1 | -71.5 | -173 | -7.9 | 0 | 0 | 109.4 | C157 N161 L162 | C157-Q159 VanDerWaalsContact C-N 3.3Å; Q159-N161 PolarHBondContact O-N 3.49Å; Q159-L162 HydrophobicContact CB-CD1 3.5Å |
| 160 | E | 60.7 | Low | 69.9 | Low | 171 Ų | 171 | 86 Ų | 86 | 80% | 0.799 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 131.7 | 178.1 | -63.7 | -174.7 | 164.9 | 0 | 0 | 111.2 | V158 | V158-E160 PolarHBondContact O-N 2.03Š|
| 161 | N | 68.1 | Low | 72.1 | Confident | 120 Ų | 120 | 81.9 Ų | 81.9 | 64% | 0.642 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 27.9 | 175.9 | -40.9 | -79.8 | 0 | 0 | 0 | 117 | Q159 K164 | Q159-N161 PolarHBondContact O-N 3.49Å; N161-K164 PolarHBondContact O-NZ 2.95Å |
| 162 | L | 84.8 | Confident | 73.8 | Confident | 31 Ų | 31 | 77.2 Ų | 77.2 | 16% | 0.162 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -61.2 | -64.1 | 164.2 | -102 | 57.6 | 0 | 0 | 0 | 110.8 | Q159 F176 Y188 | Q159-L162 HydrophobicContact CB-CD1 3.5Å; L162-F176 HydrophobicContact CD2-CD1 3.61Å; L162-F176 HydrophobicContact CD2-CD2 4.08Å; L162-F176 HydrophobicContact CD2-CE1 3.62Å; L162-F176 HydrophobicContact CD2-CE2 4.09Å; L162-F176 HydrophobicContact CD2-CG 3.88Å; L162-F176 HydrophobicContact CD2-CZ 3.9Å; L162-Y188 HydrophobicContact CB-CD1 4.38Å; L162-Y188 HydrophobicContact CG-CD1 4.41Å; L162-Y188 HydrophobicContact CG-CE1 4.17Å; L162-Y188 WeakPolarHBondContact O-CD1 3.04Å |
| 163 | C | 88.4 | Confident | 74.9 | Confident | 20 Ų | 20 | 74.1 Ų | 74.1 | 14% | 0.135 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -72.1 | 130.6 | 176.9 | -50 | 0 | 0 | 0 | 0 | 111 | A167 C169 C178 Y188 | C163-A167 HydrophobicContact CB-CB 3.97Å; C163-C169 VanDerWaalsContact SG-CA 3.57Å; C163-C169 WeakPolarHBondContact SG-CB 3.39Å; C163-C178 WeakPolarHBondContact CA-SG 3.37Å; C163-C178 HydrophobicContact CB-CB 3.77Å; C163-C178 WeakPolarHBondContact CB-SG 3.38Å; C163-C178 VanDerWaalsContact SG-CA 3.51Å; C163-C178 WeakPolarHBondContact SG-CB 3.45Å; C163-C178 CovalentContact SG-SG 2.03Å; C163-C178 PolarHBondContact SG-SG 2.88Å; C163-Y188 CarbonylContact C-O 3.12Å |
| 164 | K | 91.2 | Very high | 76 | Confident | 95 Ų | 95 | 73.7 Ų | 73.7 | 41% | 0.413 | 41% | 0.414 | S | S | . | . | trans | -96.1 | 176.1 | -179.1 | -55.4 | -51.5 | -175.9 | -170.2 | 0 | 111 | N161 G166 A167 Y188 E190 | N161-K164 PolarHBondContact O-NZ 2.95Å; K164-G166 PolarHBondContact O-N 3.31Å; K164-A167 WeakPolarHBondContact O-CB 3.02Å; K164-A167 PolarHBondContact O-N 2.96Å; K164-Y188 WeakPolarHBondContact CB-O 3.44Å; K164-Y188 PolarHBondContact N-O 3.32Å; K164-E190 HydrophobicContact CB-CB 4.32Å; K164-E190 HydrophobicContact CG-CB 3.91Å | ||
| 165 | N | 89.8 | Confident | 77 | Confident | 73 Ų | 73 | 72.4 Ų | 72.4 | 39% | 0.39 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 27.5 | 171 | -58.6 | -38 | 0 | 0 | 0 | 115 | A167 R181 F184 C189 E190 | N165-A167 VanDerWaalsContact C-N 3.31Å; N165-A167 PolarHBondContact O-N 2.76Å; N165-R181 WeakPolarHBondContact O-CD 3.44Å; N165-F184 HydrophobicContact CB-CD1 3.56Å; N165-F184 HydrophobicContact CB-CD2 4.11Å; N165-F184 HydrophobicContact CB-CE1 3.57Å; N165-F184 HydrophobicContact CB-CE2 4.1Å; N165-F184 HydrophobicContact CB-CG 3.84Å; N165-F184 HydrophobicContact CB-CZ 3.85Å; N165-F184 WeakPolarHBondContact ND2-CD1 3.27Å; N165-F184 WeakPolarHBondContact ND2-CE1 3.5Å; N165-C189 PolarHBondContact ND2-O 3.22Å; N165-E190 PolarHBondContact ND2-O 2.96Å |
| 166 | G | 85.5 | Confident | 78.3 | Confident | 41 Ų | 41 | 69.6 Ų | 69.6 | 42% | 0.423 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 17.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | K164 R181 | K164-G166 PolarHBondContact O-N 3.31Å; G166-R181 VanDerWaalsContact C-NE 3.33Å; G166-R181 PolarHBondContact O-NE 2.79Å; G166-R181 PolarHBondContact O-NH2 3.31Å; G166-R181 VanDerWaalsContact O-NH2 3.09Å |
| 167 | A | 88.9 | Confident | 79.1 | Confident | 14 Ų | 14 | 72.8 Ų | 72.8 | 12% | 0.116 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 152 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | C163 K164 N165 I179 C189 | C163-A167 HydrophobicContact CB-CB 3.97Å; K164-A167 WeakPolarHBondContact O-CB 3.02Å; K164-A167 PolarHBondContact O-N 2.96Å; N165-A167 VanDerWaalsContact C-N 3.31Å; N165-A167 PolarHBondContact O-N 2.76Å; A167-I179 WeakPolarHBondContact CA-O 3.47Å; A167-I179 VanDerWaalsContact CB-O 3.26Å; A167-I179 WeakPolarHBondContact CB-O 3.07Å; A167-C189 HydrophobicContact CB-CB 3.59Å; A167-C189 WeakPolarHBondContact CB-SG 3.49Å |
| 168 | T | 84.9 | Confident | 79.6 | Confident | 88 Ų | 88 | 71.5 Ų | 71.5 | 54% | 0.54 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 122.8 | -177 | -59.2 | 0 | 0 | 0 | 0 | 110.5 | I179 | T168-I179 PolarHBondContact N-O 3.06Å; T168-I179 PolarHBondContact O-N 3.3Å |
| 169 | C | 85.7 | Confident | 80.4 | Confident | 42 Ų | 42 | 70.5 Ų | 70.5 | 28% | 0.284 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 124.9 | 174.1 | -166.1 | 0 | 0 | 0 | 0 | 110.8 | C157 C163 | C157-C169 WeakPolarHBondContact CA-SG 3.09Å; C157-C169 HydrophobicContact CB-CB 3.74Å; C157-C169 WeakPolarHBondContact CB-SG 3.05Å; C157-C169 WeakPolarHBondContact SG-CB 3.33Å; C157-C169 CovalentContact SG-SG 2.04Å; C157-C169 PolarHBondContact SG-SG 3.49Å; C163-C169 VanDerWaalsContact SG-CA 3.57Å; C163-C169 WeakPolarHBondContact SG-CB 3.39Å |
| 170 | V | 82.9 | Confident | 81.3 | Confident | 50 Ų | 50 | 65.7 Ų | 65.7 | 30% | 0.303 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 128.7 | 173.5 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | C157 L172 F176 N177 I179 | C157-V170 PolarHBondContact SG-N 3.29Å; V170-L172 HydrophobicContact CG1-CD2 4.39Å; V170-F176 CarbonylContact O-C 3.57Å; V170-F176 VanDerWaalsContact O-CA 3.3Å; V170-F176 WeakPolarHBondContact O-CA 3.42Å; V170-N177 PolarHBondContact N-O 3.1Å; V170-N177 PolarHBondContact O-N 2.93Å; V170-I179 HydrophobicContact CG2-CD1 3.59Å; V170-I179 HydrophobicContact CG2-CG1 4Å |
| 171 | D | 82 | Confident | 82.4 | Confident | 34 Ų | 34 | 64.5 Ų | 64.5 | 18% | 0.182 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 127.4 | -179.5 | -154 | -39.3 | 0 | 0 | 0 | 110.9 | R155 S156 G173 | R155-D171 WeakPolarHBondContact CA-OD2 3.4Å; R155-D171 WeakPolarHBondContact CB-OD2 3.41Å; S156-D171 PolarHBondContact N-OD2 3.19Å; D171-G173 PolarHBondContact OD1-N 2.83Å |
| 172 | L | 77 | Confident | 83.1 | Confident | 105 Ų | 105 | 63.2 Ų | 63.2 | 55% | 0.55 | 36% | 0.363 | S | S | . | . | trans | -113.3 | 24.4 | 178.4 | -58.9 | 177.2 | 0 | 0 | 0 | 111 | V170 N174 S175 N177 | V170-L172 HydrophobicContact CG1-CD2 4.39Å; L172-N174 PolarHBondContact O-N 3.43Å; L172-N174 VanDerWaalsContact O-N 3.13Å; L172-S175 CarbonylContact C-O 3.48Å; L172-S175 WeakPolarHBondContact CA-O 3.26Å; L172-S175 PolarHBondContact N-O 2.74Å; L172-N177 HydrophobicContact CD1-CB 3.98Å | ||
| 173 | G | 72.4 | Confident | 83.3 | Confident | 43 Ų | 43 | 61.9 Ų | 61.9 | 44% | 0.443 | 36% | 0.356 | S | S | . | . | S | Bend | trans | 89.2 | -63.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D171 | D171-G173 PolarHBondContact OD1-N 2.83Š|
| 174 | N | 70.3 | Confident | 83.4 | Confident | 132 Ų | 132 | 62.5 Ų | 62.5 | 71% | 0.706 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -112.5 | 4.8 | 174.1 | -73.2 | -16.2 | 0 | 0 | 0 | 112.7 | L172 | L172-N174 PolarHBondContact O-N 3.43Å; L172-N174 VanDerWaalsContact O-N 3.13Å |
| 175 | S | 73.3 | Confident | 83.3 | Confident | 58 Ų | 58 | 63 Ų | 63 | 41% | 0.406 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -148.6 | 171.6 | 178 | 56.9 | 0 | 0 | 0 | 0 | 109.6 | S156 L172 | S156-S175 VanDerWaalsContact CB-C 3.47Å; S156-S175 WeakPolarHBondContact OG-CA 3.36Å; S156-S175 PolarHBondContact OG-N 3.22Å; L172-S175 CarbonylContact C-O 3.48Å; L172-S175 WeakPolarHBondContact CA-O 3.26Å; L172-S175 PolarHBondContact N-O 2.74Å |
| 176 | F | 82.1 | Confident | 83.3 | Confident | 39 Ų | 39 | 60.6 Ų | 60.6 | 17% | 0.171 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 161.5 | 173 | 65.1 | -75.5 | 0 | 0 | 0 | 109.2 | L162 V170 Y188 | L162-F176 HydrophobicContact CD2-CD1 3.61Å; L162-F176 HydrophobicContact CD2-CD2 4.08Å; L162-F176 HydrophobicContact CD2-CE1 3.62Å; L162-F176 HydrophobicContact CD2-CE2 4.09Å; L162-F176 HydrophobicContact CD2-CG 3.88Å; L162-F176 HydrophobicContact CD2-CZ 3.9Å; V170-F176 CarbonylContact O-C 3.57Å; V170-F176 VanDerWaalsContact O-CA 3.3Å; V170-F176 WeakPolarHBondContact O-CA 3.42Å; F176-Y188 HydrophobicContact CE1-CE1 4.3Å; F176-Y188 AromaticContact CE2-CD1 3.9Å; F176-Y188 HydrophobicContact CE2-CD1 3.9Å; F176-Y188 AromaticContact CE2-CE1 3.75Å; F176-Y188 HydrophobicContact CE2-CE1 3.75Å; F176-Y188 AromaticContact CZ-CD1 3.94Å; F176-Y188 HydrophobicContact CZ-CD1 3.94Å; F176-Y188 AromaticContact CZ-CE1 3.29Å; F176-Y188 HydrophobicContact CZ-CE1 3.29Å; F176-Y188 AromaticContact CZ-CZ 3.87Å |
| 177 | N | 82.5 | Confident | 83.4 | Confident | 90 Ų | 90 | 64.8 Ų | 64.8 | 48% | 0.481 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 145.5 | 162.7 | -171.6 | 29.5 | 0 | 0 | 0 | 109.3 | V170 L172 | V170-N177 PolarHBondContact N-O 3.1Å; V170-N177 PolarHBondContact O-N 2.93Å; L172-N177 HydrophobicContact CD1-CB 3.98Å |
| 178 | C | 86.3 | Confident | 83.5 | Confident | 9 Ų | 9 | 68.1 Ų | 68.1 | 6% | 0.061 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 116 | 175.4 | -65.5 | 0 | 0 | 0 | 0 | 109.4 | C163 C180 C189 | C163-C178 WeakPolarHBondContact CA-SG 3.37Å; C163-C178 HydrophobicContact CB-CB 3.77Å; C163-C178 WeakPolarHBondContact CB-SG 3.38Å; C163-C178 VanDerWaalsContact SG-CA 3.51Å; C163-C178 WeakPolarHBondContact SG-CB 3.45Å; C163-C178 CovalentContact SG-SG 2.03Å; C163-C178 PolarHBondContact SG-SG 2.88Å; C178-C180 PolarHBondContact O-N 3.13Å; C178-C189 WeakPolarHBondContact CB-SG 3.43Å |
| 179 | I | 85.2 | Confident | 83.8 | Confident | 87 Ų | 87 | 63.9 Ų | 63.9 | 45% | 0.446 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 104 | 170.5 | -59.2 | 178 | 0 | 0 | 0 | 107.3 | A167 T168 V170 | A167-I179 WeakPolarHBondContact CA-O 3.47Å; A167-I179 VanDerWaalsContact CB-O 3.26Å; A167-I179 WeakPolarHBondContact CB-O 3.07Å; T168-I179 PolarHBondContact N-O 3.06Å; T168-I179 PolarHBondContact O-N 3.3Å; V170-I179 HydrophobicContact CG2-CD1 3.59Å; V170-I179 HydrophobicContact CG2-CG1 4Å |
| 180 | C | 85.4 | Confident | 84.2 | Confident | 38 Ų | 38 | 65.9 Ų | 65.9 | 26% | 0.257 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 147.5 | -178.1 | -52.6 | 0 | 0 | 0 | 0 | 111.8 | C178 F184 C189 | C178-C180 PolarHBondContact O-N 3.13Å; C180-F184 HydrophobicContact CB-CB 4.28Å; C180-F184 WeakPolarHBondContact CB-O 3.39Å; C180-C189 WeakPolarHBondContact CA-SG 3.35Å; C180-C189 HydrophobicContact CB-CB 3.69Å; C180-C189 WeakPolarHBondContact CB-SG 3.21Å; C180-C189 PolarHBondContact N-SG 2.77Å; C180-C189 VanDerWaalsContact SG-CA 3.53Å; C180-C189 WeakPolarHBondContact SG-CB 3.4Å; C180-C189 CovalentContact SG-SG 2.03Å; C180-C189 PolarHBondContact SG-SG 2.98Å |
| 181 | R | 84.2 | Confident | 84.6 | Confident | 146 Ų | 146 | 67.4 Ų | 67.4 | 55% | 0.551 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -69 | 152.8 | 165.3 | -66 | -171.9 | -177.7 | -168.9 | 0.7 | 108.9 | N165 G166 G183 F184 | N165-R181 WeakPolarHBondContact O-CD 3.44Å; G166-R181 VanDerWaalsContact C-NE 3.33Å; G166-R181 PolarHBondContact O-NE 2.79Å; G166-R181 PolarHBondContact O-NH2 3.31Å; G166-R181 VanDerWaalsContact O-NH2 3.09Å; R181-G183 PolarHBondContact O-N 2.85Å; R181-F184 HydrophobicContact CB-CD2 4.1Å; R181-F184 PolarHBondContact O-N 3.27Å; R181-F184 VanDerWaalsContact O-N 3.09Å |
| 182 | P | 83.4 | Confident | 85.1 | Confident | 93 Ų | 93 | 70.2 Ų | 70.2 | 60% | 0.604 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.7 | 136.6 | 169.1 | -25.1 | 34.3 | 0 | 0 | 0 | 110.6 | N212 | P182-N212 VanDerWaalsContact C-OD1 3.3Å; P182-N212 WeakPolarHBondContact CA-OD1 3.32Å; P182-N212 HydrophobicContact CB-CB 4.09Å; P182-N212 WeakPolarHBondContact CB-OD1 3.38Å |
| 183 | G | 87.9 | Confident | 85.7 | Confident | 2 Ų | 2 | 68.5 Ų | 68.5 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86 | 3.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116 | R181 I193 N212 | R181-G183 PolarHBondContact O-N 2.85Å; G183-I193 PolarHBondContact O-N 3.12Å; G183-N212 PolarHBondContact N-OD1 3.48Å |
| 184 | F | 91.4 | Very high | 86.6 | Confident | 34 Ų | 34 | 69.2 Ų | 69.2 | 15% | 0.149 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 147.8 | 177.2 | -63.5 | -84 | 0 | 0 | 0 | 112.9 | N165 C180 R181 C189 N191 E192 V211 | N165-F184 HydrophobicContact CB-CD1 3.56Å; N165-F184 HydrophobicContact CB-CD2 4.11Å; N165-F184 HydrophobicContact CB-CE1 3.57Å; N165-F184 HydrophobicContact CB-CE2 4.1Å; N165-F184 HydrophobicContact CB-CG 3.84Å; N165-F184 HydrophobicContact CB-CZ 3.85Å; N165-F184 WeakPolarHBondContact ND2-CD1 3.27Å; N165-F184 WeakPolarHBondContact ND2-CE1 3.5Å; C180-F184 HydrophobicContact CB-CB 4.28Å; C180-F184 WeakPolarHBondContact CB-O 3.39Å; R181-F184 HydrophobicContact CB-CD2 4.1Å; R181-F184 PolarHBondContact O-N 3.27Å; R181-F184 VanDerWaalsContact O-N 3.09Å; F184-C189 HydrophobicContact CB-CB 4.44Å; F184-N191 CarbonylContact C-O 3.59Å; F184-N191 VanDerWaalsContact CA-O 3.28Å; F184-N191 WeakPolarHBondContact CA-O 3.45Å; F184-N191 WeakPolarHBondContact CD1-O 3.38Å; F184-E192 HydrophobicContact CD1-CB 4.27Å; F184-E192 HydrophobicContact CE1-CB 4.03Å; F184-E192 HydrophobicContact CE1-CG 4.45Å; F184-V211 HydrophobicContact CD2-CG1 4.38Å; F184-V211 HydrophobicContact CE2-CG1 3.5Å; F184-V211 HydrophobicContact CZ-CG1 3.91Å; F184-V211 HydrophobicContact CZ-CG2 4.18Å |
| 185 | D | 88.2 | Confident | 87.5 | Confident | 105 Ų | 105 | 64.5 Ų | 64.5 | 56% | 0.561 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148 | 175.9 | 178.2 | -164.6 | 10.5 | 0 | 0 | 0 | 111.4 | C189 E190 N191 I193 | D185-C189 CarbonylContact O-C 3.54Å; D185-C189 WeakPolarHBondContact O-CA 3.41Å; D185-E190 PolarHBondContact O-N 3.19Å; D185-N191 PolarHBondContact N-O 3.36Å; D185-N191 WeakPolarHBondContact O-CB 3.18Å; D185-N191 PolarHBondContact O-N 3.17Å; D185-N191 PolarHBondContact O-ND2 2.67Å; D185-I193 HydrophobicContact CB-CD1 4.22Å; D185-I193 HydrophobicContact CB-CG1 3.95Å |
| 186 | G | 90 | Very high | 88.3 | Confident | 22 Ų | 22 | 62.7 Ų | 62.7 | 23% | 0.227 | 32% | 0.318 | C | S | . | . | S | Bend | trans | 104.8 | 160.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y188 C189 | G186-Y188 PolarHBondContact O-N 2.83Å; G186-Y188 VanDerWaalsContact O-N 3.08Å; G186-C189 PolarHBondContact O-N 2.95Å |
| 187 | Q | 87.6 | Confident | 88.7 | Confident | 129 Ų | 129 | 67.2 Ų | 67.2 | 60% | 0.603 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -27.5 | -176.7 | -179.5 | 177 | 2.6 | 0 | 0 | 112.8 | E190 | Q187-E190 PolarHBondContact N-OE2 3.05Š|
| 188 | Y | 90.7 | Very high | 88.9 | Confident | 84 Ų | 84 | 67.3 Ų | 67.3 | 33% | 0.329 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 11.3 | 178.8 | -56.4 | -87.7 | 0 | 0 | 0 | 111.5 | L162 C163 K164 F176 G186 E190 | L162-Y188 HydrophobicContact CB-CD1 4.38Å; L162-Y188 HydrophobicContact CG-CD1 4.41Å; L162-Y188 HydrophobicContact CG-CE1 4.17Å; L162-Y188 WeakPolarHBondContact O-CD1 3.04Å; C163-Y188 CarbonylContact C-O 3.12Å; K164-Y188 WeakPolarHBondContact CB-O 3.44Å; K164-Y188 PolarHBondContact N-O 3.32Å; F176-Y188 HydrophobicContact CE1-CE1 4.3Å; F176-Y188 AromaticContact CE2-CD1 3.9Å; F176-Y188 HydrophobicContact CE2-CD1 3.9Å; F176-Y188 AromaticContact CE2-CE1 3.75Å; F176-Y188 HydrophobicContact CE2-CE1 3.75Å; F176-Y188 AromaticContact CZ-CD1 3.94Å; F176-Y188 HydrophobicContact CZ-CD1 3.94Å; F176-Y188 AromaticContact CZ-CE1 3.29Å; F176-Y188 HydrophobicContact CZ-CE1 3.29Å; F176-Y188 AromaticContact CZ-CZ 3.87Å; G186-Y188 PolarHBondContact O-N 2.83Å; G186-Y188 VanDerWaalsContact O-N 3.08Å; Y188-E190 VanDerWaalsContact C-OE2 3.27Å; Y188-E190 VanDerWaalsContact CA-OE2 3.24Å; Y188-E190 WeakPolarHBondContact CA-OE2 3.3Å; Y188-E190 VanDerWaalsContact CB-OE2 3.29Å; Y188-E190 WeakPolarHBondContact CB-OE2 3.02Å; Y188-E190 PolarHBondContact N-OE2 2.93Å; Y188-E190 PolarHBondContact O-N 3.43Å |
| 189 | C | 91.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 39% | 0.386 | C | S | . | . | S | Bend | trans | 53.4 | 32.9 | -170.5 | -49.5 | 0 | 0 | 0 | 0 | 112.8 | N165 A167 C178 C180 F184 D185 G186 | N165-C189 PolarHBondContact ND2-O 3.22Å; A167-C189 HydrophobicContact CB-CB 3.59Å; A167-C189 WeakPolarHBondContact CB-SG 3.49Å; C178-C189 WeakPolarHBondContact CB-SG 3.43Å; C180-C189 WeakPolarHBondContact CA-SG 3.35Å; C180-C189 HydrophobicContact CB-CB 3.69Å; C180-C189 WeakPolarHBondContact CB-SG 3.21Å; C180-C189 PolarHBondContact N-SG 2.77Å; C180-C189 VanDerWaalsContact SG-CA 3.53Å; C180-C189 WeakPolarHBondContact SG-CB 3.4Å; C180-C189 CovalentContact SG-SG 2.03Å; C180-C189 PolarHBondContact SG-SG 2.98Å; F184-C189 HydrophobicContact CB-CB 4.44Å; D185-C189 CarbonylContact O-C 3.54Å; D185-C189 WeakPolarHBondContact O-CA 3.41Å; G186-C189 PolarHBondContact O-N 2.95Å |
| 190 | E | 93.2 | Very high | 88.6 | Confident | 84 Ų | 84 | 71.1 Ų | 71.1 | 39% | 0.393 | 37% | 0.37 | S | S | . | . | trans | -80.4 | -19.3 | -172.3 | 72.2 | -76.1 | -176 | 0 | 0 | 113.8 | K164 N165 D185 Q187 Y188 | K164-E190 HydrophobicContact CB-CB 4.32Å; K164-E190 HydrophobicContact CG-CB 3.91Å; N165-E190 PolarHBondContact ND2-O 2.96Å; D185-E190 PolarHBondContact O-N 3.19Å; Q187-E190 PolarHBondContact N-OE2 3.05Å; Y188-E190 VanDerWaalsContact C-OE2 3.27Å; Y188-E190 VanDerWaalsContact CA-OE2 3.24Å; Y188-E190 WeakPolarHBondContact CA-OE2 3.3Å; Y188-E190 VanDerWaalsContact CB-OE2 3.29Å; Y188-E190 WeakPolarHBondContact CB-OE2 3.02Å; Y188-E190 PolarHBondContact N-OE2 2.93Å; Y188-E190 PolarHBondContact O-N 3.43Å | ||
| 191 | N | 92.7 | Very high | 88.4 | Confident | 82 Ų | 82 | 70.3 Ų | 70.3 | 44% | 0.439 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 129 | -178 | -46.6 | -75.5 | 0 | 0 | 0 | 109.4 | F184 D185 | F184-N191 CarbonylContact C-O 3.59Å; F184-N191 VanDerWaalsContact CA-O 3.28Å; F184-N191 WeakPolarHBondContact CA-O 3.45Å; F184-N191 WeakPolarHBondContact CD1-O 3.38Å; D185-N191 PolarHBondContact N-O 3.36Å; D185-N191 WeakPolarHBondContact O-CB 3.18Å; D185-N191 PolarHBondContact O-N 3.17Å; D185-N191 PolarHBondContact O-ND2 2.67Å |
| 192 | E | 92.8 | Very high | 88 | Confident | 92 Ų | 92 | 70 Ų | 70 | 43% | 0.43 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 135 | 158.5 | -177.3 | 177.2 | -147.7 | 0 | 0 | 107.9 | F184 N194 V211 | F184-E192 HydrophobicContact CD1-CB 4.27Å; F184-E192 HydrophobicContact CE1-CB 4.03Å; F184-E192 HydrophobicContact CE1-CG 4.45Å; E192-N194 PolarHBondContact O-N 3.41Å; E192-V211 WeakPolarHBondContact OE1-CG2 3.27Å |
| 193 | I | 88.7 | Confident | 87.4 | Confident | 70 Ų | 70 | 69.1 Ų | 69.1 | 36% | 0.359 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 126.6 | 168.7 | -62.1 | 172.9 | 0 | 0 | 0 | 106 | G183 D185 E195 | G183-I193 PolarHBondContact O-N 3.12Å; D185-I193 HydrophobicContact CB-CD1 4.22Å; D185-I193 HydrophobicContact CB-CG1 3.95Å; I193-E195 PolarHBondContact O-N 2.93Å |
| 194 | N | 91.8 | Very high | 86.7 | Confident | 58 Ų | 58 | 76.2 Ų | 76.2 | 31% | 0.31 | 39% | 0.392 | S | S | . | . | trans | -92.6 | 96.4 | 172.5 | 174.6 | -73.8 | 0 | 0 | 0 | 108.7 | E192 C196 N197 D209 | E192-N194 PolarHBondContact O-N 3.41Å; N194-C196 PolarHBondContact O-N 2.03Å; N194-C196 WeakPolarHBondContact OD1-CB 3.3Å; N194-C196 PolarHBondContact OD1-N 3.19Å; N194-N197 WeakPolarHBondContact CB-ND2 3.41Å; N194-N197 WeakPolarHBondContact O-CB 3.28Å; N194-N197 PolarHBondContact O-N 3.29Å; N194-N197 PolarHBondContact O-ND2 3.25Å; N194-N197 PolarHBondContact OD1-N 3.48Å; N194-N197 PolarHBondContact OD1-ND2 2.82Å; N194-N197 PolarHBondContact OD1-OD1 2.76Å; N194-D209 WeakPolarHBondContact CA-OD1 3.23Å; N194-D209 VanDerWaalsContact CA-OD2 3.3Å; N194-D209 WeakPolarHBondContact CA-OD2 3.11Å; N194-D209 WeakPolarHBondContact CB-OD2 3.5Å; N194-D209 VanDerWaalsContact CG-CG 3.45Å; N194-D209 PolarHBondContact ND2-OD1 3.15Å; N194-D209 VanDerWaalsContact ND2-OD1 3.12Å; N194-D209 PolarHBondContact ND2-OD2 2.7Å | ||
| 195 | E | 88.5 | Confident | 86.1 | Confident | 33 Ų | 33 | 75.2 Ų | 75.2 | 15% | 0.154 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -58.8 | -29 | 178.2 | -75.6 | 77.7 | -174.8 | 0 | 0 | 111.8 | I193 N197 S198 D209 N212 S213 F214 | I193-E195 PolarHBondContact O-N 2.93Å; E195-N197 PolarHBondContact O-N 2.73Å; E195-S198 PolarHBondContact O-N 2.82Å; E195-S198 VanDerWaalsContact O-N 3.15Å; E195-S198 PolarHBondContact O-OG 3.22Å; E195-D209 PolarHBondContact N-OD1 3.21Å; E195-N212 WeakPolarHBondContact OE1-CA 3.42Å; E195-S213 PolarHBondContact OE1-N 3.46Å; E195-F214 HydrophobicContact CB-CB 4.09Å; E195-F214 HydrophobicContact CB-CD1 4.05Å |
| 196 | C | 90.5 | Very high | 86 | Confident | 20 Ų | 20 | 74.7 Ų | 74.7 | 14% | 0.135 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -62.1 | -22.2 | 177.5 | -74.3 | 0 | 0 | 0 | 0 | 114.6 | N194 S198 M199 C207 D209 | N194-C196 PolarHBondContact O-N 2.03Å; N194-C196 WeakPolarHBondContact OD1-CB 3.3Å; N194-C196 PolarHBondContact OD1-N 3.19Å; C196-S198 PolarHBondContact O-N 2.68Å; C196-M199 WeakPolarHBondContact O-CA 3.46Å; C196-M199 PolarHBondContact O-N 2.76Å; C196-C207 WeakPolarHBondContact CA-SG 3.2Å; C196-C207 HydrophobicContact CB-CB 3.77Å; C196-C207 WeakPolarHBondContact CB-SG 3.32Å; C196-C207 VanDerWaalsContact SG-C 3.54Å; C196-C207 WeakPolarHBondContact SG-CB 3.42Å; C196-C207 CovalentContact SG-SG 2.03Å; C196-C207 PolarHBondContact SG-SG 3.48Å; C196-D209 PolarHBondContact N-OD1 3.19Å; C196-D209 PolarHBondContact SG-N 3.35Å |
| 197 | N | 90.2 | Very high | 85.8 | Confident | 134 Ų | 134 | 75.5 Ų | 75.5 | 72% | 0.717 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -61.1 | -22.6 | 174.6 | -77.9 | -40.9 | 0 | 0 | 0 | 113 | N194 E195 M199 | N194-N197 WeakPolarHBondContact CB-ND2 3.41Å; N194-N197 WeakPolarHBondContact O-CB 3.28Å; N194-N197 PolarHBondContact O-N 3.29Å; N194-N197 PolarHBondContact O-ND2 3.25Å; N194-N197 PolarHBondContact OD1-N 3.48Å; N194-N197 PolarHBondContact OD1-ND2 2.82Å; N194-N197 PolarHBondContact OD1-OD1 2.76Å; E195-N197 PolarHBondContact O-N 2.73Å; N197-M199 PolarHBondContact O-N 3.17Å |
| 198 | S | 86.1 | Confident | 85.9 | Confident | 91 Ų | 91 | 73 Ų | 73 | 64% | 0.636 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -75.1 | -4.1 | 173.6 | 68.7 | 0 | 0 | 0 | 0 | 113.9 | E195 C196 P200 | E195-S198 PolarHBondContact O-N 2.82Å; E195-S198 VanDerWaalsContact O-N 3.15Å; E195-S198 PolarHBondContact O-OG 3.22Å; C196-S198 PolarHBondContact O-N 2.68Å; S198-P200 WeakPolarHBondContact OG-CD 3.37Å |
| 199 | M | 84.5 | Confident | 85.9 | Confident | 161 Ų | 161 | 71.3 Ų | 71.3 | 79% | 0.793 | 38% | 0.378 | S | S | * | . | trans | 51.3 | 55.1 | -171.7 | -61.5 | 179.9 | 59.5 | 0 | 0 | 113.2 | C196 N197 C201 | C196-M199 WeakPolarHBondContact O-CA 3.46Å; C196-M199 PolarHBondContact O-N 2.76Å; N197-M199 PolarHBondContact O-N 3.17Å; M199-C201 VanDerWaalsContact C-N 3.31Å; M199-C201 PolarHBondContact O-N 2.83Å | ||
| 200 | P | 82.1 | Confident | 85.7 | Confident | 16 Ų | 16 | 75.1 Ų | 75.1 | 10% | 0.104 | 40% | 0.398 | C | S | . | . | trans | -74.4 | -19.3 | -172 | 32.3 | -36.1 | 0 | 0 | 0 | 113.7 | S198 Y202 F214 | S198-P200 WeakPolarHBondContact OG-CD 3.37Å; P200-Y202 WeakPolarHBondContact O-CD2 3.41Å; P200-Y202 WeakPolarHBondContact O-CE2 3.44Å; P200-F214 HydrophobicContact CB-CD1 4.24Å; P200-F214 HydrophobicContact CB-CD2 3.96Å; P200-F214 HydrophobicContact CB-CE1 3.91Å; P200-F214 HydrophobicContact CB-CE2 3.62Å; P200-F214 HydrophobicContact CB-CG 4.27Å; P200-F214 HydrophobicContact CB-CZ 3.6Å; P200-F214 HydrophobicContact CG-CB 4.39Å; P200-F214 HydrophobicContact CG-CD1 4.02Å; P200-F214 HydrophobicContact CG-CD2 3.62Å; P200-F214 HydrophobicContact CG-CE1 4.22Å; P200-F214 HydrophobicContact CG-CE2 3.85Å; P200-F214 HydrophobicContact CG-CG 3.73Å; P200-F214 HydrophobicContact CG-CZ 4.14Å | ||
| 201 | C | 81.4 | Confident | 85.4 | Confident | 20 Ų | 20 | 75.1 Ų | 75.1 | 14% | 0.135 | 40% | 0.403 | C | S | . | . | trans | -86 | 112.2 | -178.7 | -50.8 | 0 | 0 | 0 | 0 | 111.7 | M199 C207 C216 Y218 | M199-C201 VanDerWaalsContact C-N 3.31Å; M199-C201 PolarHBondContact O-N 2.83Å; C201-C207 HydrophobicContact CB-CB 4.39Å; C201-C207 WeakPolarHBondContact SG-CA 3.38Å; C201-C207 WeakPolarHBondContact SG-CB 3.48Å; C201-C207 PolarHBondContact SG-SG 3.05Å; C201-C216 VanDerWaalsContact CA-SG 3.51Å; C201-C216 HydrophobicContact CB-CB 3.77Å; C201-C216 WeakPolarHBondContact CB-SG 3.34Å; C201-C216 WeakPolarHBondContact SG-CB 3.18Å; C201-C216 CovalentContact SG-SG 2.03Å; C201-C216 PolarHBondContact SG-SG 3.09Å; C201-Y218 HydrophobicContact CB-CE1 4.37Å | ||
| 202 | Y | 75.2 | Confident | 84.9 | Confident | 139 Ų | 139 | 75.6 Ų | 75.6 | 55% | 0.545 | 41% | 0.406 | S | S | . | . | trans | -77.8 | 174.4 | 175.1 | -65 | -89.3 | 0 | 0 | 0 | 112.2 | P200 N204 G205 Y218 D226 | P200-Y202 WeakPolarHBondContact O-CD2 3.41Å; P200-Y202 WeakPolarHBondContact O-CE2 3.44Å; Y202-N204 PolarHBondContact O-N 3.25Å; Y202-G205 PolarHBondContact O-N 3.48Å; Y202-Y218 WeakPolarHBondContact O-CE1 3.31Å; Y202-D226 WeakPolarHBondContact CD2-O 3.46Å | ||
| 203 | N | 70.9 | Confident | 84.4 | Confident | 75 Ų | 75 | 74 Ų | 74 | 40% | 0.401 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 38.4 | 168.7 | -56.4 | -29.5 | 0 | 0 | 0 | 115.8 | G205 F222 N230 | N203-G205 PolarHBondContact O-N 2.93Å; N203-F222 HydrophobicContact CB-CD1 4.15Å; N203-F222 HydrophobicContact CB-CE1 3.85Å; N203-F222 HydrophobicContact CB-CZ 4.14Å; N203-F222 WeakPolarHBondContact ND2-CE1 3.49Å; N203-N230 PolarHBondContact ND2-OD1 2.88Å |
| 204 | N | 73.2 | Confident | 84.2 | Confident | 152 Ų | 152 | 74 Ų | 74 | 81% | 0.813 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 29.8 | -173 | -68.8 | -6.9 | 0 | 0 | 0 | 114 | Y202 | Y202-N204 PolarHBondContact O-N 3.25Š|
| 205 | G | 79.3 | Confident | 83.7 | Confident | 13 Ų | 13 | 75.7 Ų | 75.7 | 13% | 0.134 | 41% | 0.408 | C | S | . | . | trans | -60.8 | 135.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y202 N203 C207 Y218 | Y202-G205 PolarHBondContact O-N 3.48Å; N203-G205 PolarHBondContact O-N 2.93Å; G205-C207 PolarHBondContact O-N 3.33Å; G205-Y218 VanDerWaalsContact CA-CD1 3.47Å | ||
| 206 | T | 84.1 | Confident | 83.3 | Confident | 93 Ų | 93 | 74.9 Ų | 74.9 | 57% | 0.571 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 112.5 | 174.2 | -58.3 | 0 | 0 | 0 | 0 | 108.4 | D217 | T206-D217 PolarHBondContact N-O 2.9Å; T206-D217 PolarHBondContact O-N 3.28Å |
| 207 | C | 87.6 | Confident | 82.7 | Confident | 40 Ų | 40 | 77.5 Ų | 77.5 | 27% | 0.27 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 134.6 | 178.8 | -161.5 | 0 | 0 | 0 | 0 | 111.5 | C196 C201 G205 | C196-C207 WeakPolarHBondContact CA-SG 3.2Å; C196-C207 HydrophobicContact CB-CB 3.77Å; C196-C207 WeakPolarHBondContact CB-SG 3.32Å; C196-C207 VanDerWaalsContact SG-C 3.54Å; C196-C207 WeakPolarHBondContact SG-CB 3.42Å; C196-C207 CovalentContact SG-SG 2.03Å; C196-C207 PolarHBondContact SG-SG 3.48Å; C201-C207 HydrophobicContact CB-CB 4.39Å; C201-C207 WeakPolarHBondContact SG-CA 3.38Å; C201-C207 WeakPolarHBondContact SG-CB 3.48Å; C201-C207 PolarHBondContact SG-SG 3.05Å; G205-C207 PolarHBondContact O-N 3.33Å |
| 208 | K | 89.1 | Confident | 81.6 | Confident | 76 Ų | 76 | 73.2 Ų | 73.2 | 33% | 0.33 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 127.5 | 169.2 | -69.4 | 164.4 | 170 | 165.9 | 0 | 108.6 | F214 E215 D217 | K208-F214 WeakPolarHBondContact O-CA 3.34Å; K208-E215 HydrophobicContact CB-CB 4.19Å; K208-E215 HydrophobicContact CD-CB 4.24Å; K208-E215 HydrophobicContact CD-CG 4.13Å; K208-E215 WeakPolarHBondContact CD-OE2 3.49Å; K208-E215 PolarHBondContact N-O 3.45Å; K208-E215 IonicContact NZ-OE2 3Å; K208-E215 PolarHBondContact NZ-OE2 2.85Å; K208-E215 PolarHBondContact O-N 3.4Å; K208-D217 WeakPolarHBondContact CE-OD1 3.28Å; K208-D217 WeakPolarHBondContact CE-OD2 3.41Å; K208-D217 IonicContact NZ-OD1 3.16Å; K208-D217 PolarHBondContact NZ-OD1 3.39Å; K208-D217 IonicContact NZ-OD2 2.73Å; K208-D217 PolarHBondContact NZ-OD2 3.41Å |
| 209 | D | 90.2 | Very high | 80.5 | Confident | 49 Ų | 49 | 72.3 Ų | 72.3 | 26% | 0.262 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 142.7 | 173.2 | -128.3 | 30.2 | 0 | 0 | 0 | 110.7 | N194 E195 C196 | N194-D209 WeakPolarHBondContact CA-OD1 3.23Å; N194-D209 VanDerWaalsContact CA-OD2 3.3Å; N194-D209 WeakPolarHBondContact CA-OD2 3.11Å; N194-D209 WeakPolarHBondContact CB-OD2 3.5Å; N194-D209 VanDerWaalsContact CG-CG 3.45Å; N194-D209 PolarHBondContact ND2-OD1 3.15Å; N194-D209 VanDerWaalsContact ND2-OD1 3.12Å; N194-D209 PolarHBondContact ND2-OD2 2.7Å; E195-D209 PolarHBondContact N-OD1 3.21Å; C196-D209 PolarHBondContact N-OD1 3.19Å; C196-D209 PolarHBondContact SG-N 3.35Å |
| 210 | L | 87.1 | Confident | 79.4 | Confident | 80 Ų | 80 | 75.1 Ų | 75.1 | 42% | 0.419 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 146.1 | 173.7 | -67.2 | 176.6 | 0 | 0 | 0 | 108.7 | N212 S213 E215 | L210-N212 PolarHBondContact O-N 3.24Å; L210-S213 PolarHBondContact N-O 3.49Å; L210-S213 CarbonylContact O-C 3.44Å; L210-S213 PolarHBondContact O-N 3.47Å; L210-E215 HydrophobicContact CD1-CB 3.85Å |
| 211 | V | 86.5 | Confident | 78.1 | Confident | 84 Ų | 84 | 76.7 Ų | 76.7 | 51% | 0.509 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 114 | 178.2 | -179.7 | 0 | 0 | 0 | 0 | 111.3 | F184 E192 S213 | F184-V211 HydrophobicContact CD2-CG1 4.38Å; F184-V211 HydrophobicContact CE2-CG1 3.5Å; F184-V211 HydrophobicContact CZ-CG1 3.91Å; F184-V211 HydrophobicContact CZ-CG2 4.18Å; E192-V211 WeakPolarHBondContact OE1-CG2 3.27Å; V211-S213 VanDerWaalsContact C-N 3.27Å; V211-S213 PolarHBondContact O-N 3.03Å |
| 212 | N | 82.6 | Confident | 76.4 | Confident | 92 Ų | 92 | 78.8 Ų | 78.8 | 49% | 0.492 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 28 | -178.2 | -162.2 | 71.3 | 0 | 0 | 0 | 114.1 | P182 G183 E195 L210 | P182-N212 VanDerWaalsContact C-OD1 3.3Å; P182-N212 WeakPolarHBondContact CA-OD1 3.32Å; P182-N212 HydrophobicContact CB-CB 4.09Å; P182-N212 WeakPolarHBondContact CB-OD1 3.38Å; G183-N212 PolarHBondContact N-OD1 3.48Å; E195-N212 WeakPolarHBondContact OE1-CA 3.42Å; L210-N212 PolarHBondContact O-N 3.24Å |
| 213 | S | 82 | Confident | 75.1 | Confident | 59 Ų | 59 | 77 Ų | 77 | 41% | 0.413 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | 178.2 | -175.4 | -152 | 0 | 0 | 0 | 0 | 112.4 | E195 L210 V211 | E195-S213 PolarHBondContact OE1-N 3.46Å; L210-S213 PolarHBondContact N-O 3.49Å; L210-S213 CarbonylContact O-C 3.44Å; L210-S213 PolarHBondContact O-N 3.47Å; V211-S213 VanDerWaalsContact C-N 3.27Å; V211-S213 PolarHBondContact O-N 3.03Å |
| 214 | F | 84.6 | Confident | 74.2 | Confident | 70 Ų | 70 | 74.8 Ų | 74.8 | 31% | 0.307 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 148.7 | 168.1 | 60.1 | -89.3 | 0 | 0 | 0 | 109.6 | E195 P200 K208 | E195-F214 HydrophobicContact CB-CB 4.09Å; E195-F214 HydrophobicContact CB-CD1 4.05Å; P200-F214 HydrophobicContact CB-CD1 4.24Å; P200-F214 HydrophobicContact CB-CD2 3.96Å; P200-F214 HydrophobicContact CB-CE1 3.91Å; P200-F214 HydrophobicContact CB-CE2 3.62Å; P200-F214 HydrophobicContact CB-CG 4.27Å; P200-F214 HydrophobicContact CB-CZ 3.6Å; P200-F214 HydrophobicContact CG-CB 4.39Å; P200-F214 HydrophobicContact CG-CD1 4.02Å; P200-F214 HydrophobicContact CG-CD2 3.62Å; P200-F214 HydrophobicContact CG-CE1 4.22Å; P200-F214 HydrophobicContact CG-CE2 3.85Å; P200-F214 HydrophobicContact CG-CG 3.73Å; P200-F214 HydrophobicContact CG-CZ 4.14Å; K208-F214 WeakPolarHBondContact O-CA 3.34Å |
| 215 | E | 81 | Confident | 73.1 | Confident | 92 Ų | 92 | 72.6 Ų | 72.6 | 43% | 0.43 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 144.1 | 168.5 | 177.7 | 179.2 | -128.5 | 0 | 0 | 108.7 | K208 L210 | K208-E215 HydrophobicContact CB-CB 4.19Å; K208-E215 HydrophobicContact CD-CB 4.24Å; K208-E215 HydrophobicContact CD-CG 4.13Å; K208-E215 WeakPolarHBondContact CD-OE2 3.49Å; K208-E215 PolarHBondContact N-O 3.45Å; K208-E215 IonicContact NZ-OE2 3Å; K208-E215 PolarHBondContact NZ-OE2 2.85Å; K208-E215 PolarHBondContact O-N 3.4Å; L210-E215 HydrophobicContact CD1-CB 3.85Å |
| 216 | C | 80.5 | Confident | 71.8 | Confident | 16 Ų | 16 | 73.9 Ų | 73.9 | 11% | 0.108 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 115.4 | 178 | -64 | 0 | 0 | 0 | 0 | 110.2 | C201 Y218 | C201-C216 VanDerWaalsContact CA-SG 3.51Å; C201-C216 HydrophobicContact CB-CB 3.77Å; C201-C216 WeakPolarHBondContact CB-SG 3.34Å; C201-C216 WeakPolarHBondContact SG-CB 3.18Å; C201-C216 CovalentContact SG-SG 2.03Å; C201-C216 PolarHBondContact SG-SG 3.09Å; C216-Y218 HydrophobicContact CB-CD2 4.18Å; C216-Y218 HydrophobicContact CB-CE1 3.85Å; C216-Y218 HydrophobicContact CB-CE2 3.3Å; C216-Y218 WeakPolarHBondContact CB-OH 3.19Å; C216-Y218 WeakPolarHBondContact O-CD2 3.47Å; C216-Y218 WeakPolarHBondContact O-CE2 3.24Å; C216-Y218 PolarHBondContact O-N 2.96Å; C216-Y218 PolarHBondContact SG-OH 3.22Å |
| 217 | D | 78.8 | Confident | 70 | Confident | 75 Ų | 75 | 69.6 Ų | 69.6 | 40% | 0.401 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 106.6 | 173.1 | -89.5 | 8 | 0 | 0 | 0 | 109.8 | T206 K208 | T206-D217 PolarHBondContact N-O 2.9Å; T206-D217 PolarHBondContact O-N 3.28Å; K208-D217 WeakPolarHBondContact CE-OD1 3.28Å; K208-D217 WeakPolarHBondContact CE-OD2 3.41Å; K208-D217 IonicContact NZ-OD1 3.16Å; K208-D217 PolarHBondContact NZ-OD1 3.39Å; K208-D217 IonicContact NZ-OD2 2.73Å; K208-D217 PolarHBondContact NZ-OD2 3.41Å |
| 218 | Y | 67.3 | Low | 68.2 | Low | 44 Ų | 44 | 76.9 Ų | 76.9 | 17% | 0.173 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -94.5 | 148.9 | -180 | -56.2 | -79 | 0 | 0 | 0 | 112.7 | C201 Y202 G205 C216 F222 C227 | C201-Y218 HydrophobicContact CB-CE1 4.37Å; Y202-Y218 WeakPolarHBondContact O-CE1 3.31Å; G205-Y218 VanDerWaalsContact CA-CD1 3.47Å; C216-Y218 HydrophobicContact CB-CD2 4.18Å; C216-Y218 HydrophobicContact CB-CE1 3.85Å; C216-Y218 HydrophobicContact CB-CE2 3.3Å; C216-Y218 WeakPolarHBondContact CB-OH 3.19Å; C216-Y218 WeakPolarHBondContact O-CD2 3.47Å; C216-Y218 WeakPolarHBondContact O-CE2 3.24Å; C216-Y218 PolarHBondContact O-N 2.96Å; C216-Y218 PolarHBondContact SG-OH 3.22Å; Y218-F222 HydrophobicContact CD1-CB 4.47Å; Y218-F222 HydrophobicContact CG-CB 4.12Å; Y218-C227 HydrophobicContact CD1-CB 4.16Å; Y218-C227 WeakPolarHBondContact CD2-SG 3.37Å; Y218-C227 HydrophobicContact CE1-CB 3.45Å; Y218-C227 VanDerWaalsContact CE1-CB 3.45Å; Y218-C227 WeakPolarHBondContact CE1-SG 3.29Å; Y218-C227 HydrophobicContact CE2-CB 4Å; Y218-C227 WeakPolarHBondContact CE2-SG 3.45Å; Y218-C227 WeakPolarHBondContact OH-CB 3.47Å; Y218-C227 PolarHBondContact OH-N 2.93Å |
| 219 | P | 62.7 | Low | 66.3 | Low | 72 Ų | 72 | 78.5 Ų | 78.5 | 47% | 0.468 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 147.7 | 161.4 | -22 | 33.5 | 0 | 0 | 0 | 110.8 | G221 | P219-G221 PolarHBondContact O-N 3.26Å; P219-G221 VanDerWaalsContact O-N 3.08Å |
| 220 | K | 60.5 | Low | 63.9 | Low | 220 Ų | 220 | 78.4 Ų | 78.4 | 96% | 0.957 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 117.6 | -178.6 | -66.7 | -177 | 177.9 | -177.4 | 0 | 111.4 | ||
| 221 | G | 55 | Low | 61.7 | Low | 50 Ų | 50 | 80.9 Ų | 80.9 | 52% | 0.515 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 139.3 | -13.3 | 178 | 0 | 0 | 0 | 0 | 0 | 115.2 | P219 | P219-G221 PolarHBondContact O-N 3.26Å; P219-G221 VanDerWaalsContact O-N 3.08Å |
| 222 | F | 46.3 | Very low | 59.5 | Low | 64 Ų | 64 | 82 Ų | 82 | 28% | 0.281 | 43% | 0.428 | S | S | . | . | B | Isolated β-bridge | trans | -119.3 | 138.5 | -177.3 | -57.3 | -93 | 0 | 0 | 0 | 110.8 | N203 Y218 N230 | N203-F222 HydrophobicContact CB-CD1 4.15Å; N203-F222 HydrophobicContact CB-CE1 3.85Å; N203-F222 HydrophobicContact CB-CZ 4.14Å; N203-F222 WeakPolarHBondContact ND2-CE1 3.49Å; Y218-F222 HydrophobicContact CD1-CB 4.47Å; Y218-F222 HydrophobicContact CG-CB 4.12Å; F222-N230 WeakPolarHBondContact CD1-OD1 3.48Å; F222-N230 WeakPolarHBondContact CE1-OD1 3.46Å |
| 223 | I | 47.4 | Very low | 57.3 | Low | 102 Ų | 102 | 82.6 Ų | 82.6 | 52% | 0.523 | 42% | 0.424 | S | S | . | . | trans | -140.7 | 134.6 | 178.6 | -54.7 | -168.4 | 0 | 0 | 0 | 109.9 | I229 Q231 | I223-I229 VanDerWaalsContact O-O 3.11Å; I223-Q231 HydrophobicContact CB-CG 4.33Å; I223-Q231 HydrophobicContact CG1-CG 4.24Å | ||
| 224 | G | 51.4 | Low | 54.9 | Low | 27 Ų | 27 | 82.9 Ų | 82.9 | 28% | 0.278 | 44% | 0.436 | S | S | . | . | S | Bend | trans | 141.1 | 145.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110.7 | D226 C227 | G224-D226 PolarHBondContact O-N 2.75Å; G224-C227 PolarHBondContact O-N 3.08Å |
| 225 | S | 51.6 | Low | 52.7 | Low | 106 Ų | 106 | 89.2 Ų | 89.2 | 74% | 0.741 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -19.1 | 180 | 44.1 | 0 | 0 | 0 | 0 | 113.6 | ||
| 226 | D | 50.9 | Low | 50.5 | Low | 40 Ų | 40 | 92.7 Ų | 92.7 | 21% | 0.214 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | 1.6 | 176.9 | 64.7 | 15.3 | 0 | 0 | 0 | 114 | Y202 G224 R228 | Y202-D226 WeakPolarHBondContact CD2-O 3.46Å; G224-D226 PolarHBondContact O-N 2.75Å; D226-R228 PolarHBondContact O-N 3.28Å; D226-R228 PolarHBondContact OD1-N 2.83Å; D226-R228 IonicContact OD1-NE 2.69Å; D226-R228 IonicContact OD2-CZ 2.71Å; D226-R228 IonicContact OD2-NE 2.63Å; D226-R228 PolarHBondContact OD2-NE 3.47Å; D226-R228 IonicContact OD2-NH2 2.78Å; D226-R228 PolarHBondContact OD2-NH2 3.03Å |
| 227 | C | 47.5 | Very low | 48.2 | Very low | 3 Ų | 3 | 94.8 Ų | 94.8 | 2% | 0.02 | 50% | 0.497 | C | S | . | . | trans | 36.7 | 35.2 | -169.7 | -92.6 | 0 | 0 | 0 | 0 | 117.7 | Y218 G224 I229 | Y218-C227 HydrophobicContact CD1-CB 4.16Å; Y218-C227 WeakPolarHBondContact CD2-SG 3.37Å; Y218-C227 HydrophobicContact CE1-CB 3.45Å; Y218-C227 VanDerWaalsContact CE1-CB 3.45Å; Y218-C227 WeakPolarHBondContact CE1-SG 3.29Å; Y218-C227 HydrophobicContact CE2-CB 4Å; Y218-C227 WeakPolarHBondContact CE2-SG 3.45Å; Y218-C227 WeakPolarHBondContact OH-CB 3.47Å; Y218-C227 PolarHBondContact OH-N 2.93Å; G224-C227 PolarHBondContact O-N 3.08Å; C227-I229 PolarHBondContact O-N 2.95Å | ||
| 228 | R | 49.3 | Very low | 46.4 | Very low | 194 Ų | 194 | 98 Ų | 98 | 73% | 0.732 | 51% | 0.514 | S | S | * | . | trans | -74.4 | -3.4 | 164.4 | -66.9 | -174.1 | -75.1 | -163.6 | -7.8 | 112.5 | D226 | D226-R228 PolarHBondContact O-N 3.28Å; D226-R228 PolarHBondContact OD1-N 2.83Å; D226-R228 IonicContact OD1-NE 2.69Å; D226-R228 IonicContact OD2-CZ 2.71Å; D226-R228 IonicContact OD2-NE 2.63Å; D226-R228 PolarHBondContact OD2-NE 3.47Å; D226-R228 IonicContact OD2-NH2 2.78Å; D226-R228 PolarHBondContact OD2-NH2 3.03Å | ||
| 229 | I | 48.9 | Very low | 45.2 | Very low | 110 Ų | 110 | 103.4 Ų | 103.4 | 56% | 0.564 | 54% | 0.541 | S | S | * | . | trans | -115.6 | 89.9 | -178 | -50.4 | 177.8 | 0 | 0 | 0 | 109.6 | I223 C227 | I223-I229 VanDerWaalsContact O-O 3.11Å; C227-I229 PolarHBondContact O-N 2.95Å | ||
| 230 | N | 40.5 | Very low | 44.2 | Very low | 46 Ų | 46 | 104 Ų | 104 | 25% | 0.246 | 54% | 0.543 | C | S | . | . | B | Isolated β-bridge | trans | -68.7 | 133.7 | 158.9 | -69.2 | 1.1 | 0 | 0 | 0 | 107.6 | N203 F222 Q232 C237 | N203-N230 PolarHBondContact ND2-OD1 2.88Å; F222-N230 WeakPolarHBondContact CD1-OD1 3.48Å; F222-N230 WeakPolarHBondContact CE1-OD1 3.46Å; N230-Q232 PolarHBondContact O-N 2.91Å; N230-C237 PolarHBondContact ND2-SG 3.49Å |
| 231 | Q | 40.3 | Very low | 43.6 | Very low | 132 Ų | 132 | 97.9 Ų | 97.9 | 62% | 0.617 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -72.1 | 20 | -176.9 | -61.1 | -158 | -70.9 | 0 | 0 | 114.2 | I223 | I223-Q231 HydrophobicContact CB-CG 4.33Å; I223-Q231 HydrophobicContact CG1-CG 4.24Å |
| 232 | Q | 39.9 | Very low | 43.7 | Very low | 108 Ų | 108 | 102.8 Ų | 102.8 | 51% | 0.505 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -151.4 | 66.3 | -160.4 | -137.1 | 167.4 | 22.8 | 0 | 0 | 112.3 | N230 V240 | N230-Q232 PolarHBondContact O-N 2.91Å; Q232-V240 VanDerWaalsContact CD-CG2 3.47Å; Q232-V240 HydrophobicContact CG-CG2 4.03Å |
| 233 | Y | 36.3 | Very low | 44.4 | Very low | 105 Ų | 105 | 106.9 Ų | 106.9 | 41% | 0.412 | 56% | 0.557 | S | S | . | * | S | Bend | trans | 74.9 | 130.3 | 172.8 | -62.1 | -97.8 | 0 | 0 | 0 | 118 | T244 | Y233-T244 VanDerWaalsContact OH-CG2 3.26Å; Y233-T244 WeakPolarHBondContact OH-CG2 3.03Å |
| 234 | G | 31.7 | Very low | 44.9 | Very low | 65 Ų | 65 | 106.3 Ų | 106.3 | 67% | 0.67 | 56% | 0.559 | S | S | * | * | S | Bend | trans | 76.1 | 161.7 | 147.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | H236 | G234-H236 PolarHBondContact O-N 3.03Š|
| 235 | Q | 38.4 | Very low | 45.7 | Very low | 202 Ų | 202 | 113.5 Ų | 113.5 | 94% | 0.944 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -71.7 | 7.1 | 161.7 | -71.3 | 177.5 | -37.9 | 0 | 0 | 112.6 | ||
| 236 | H | 35.2 | Very low | 46.5 | Very low | 165 Ų | 165 | 114.3 Ų | 114.3 | 76% | 0.764 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -148 | 118.1 | 173 | -102.6 | 41.1 | 0 | 0 | 0 | 106.4 | G234 D238 | G234-H236 PolarHBondContact O-N 3.03Å; H236-D238 PolarHBondContact O-N 2.86Å |
| 237 | C | 32.4 | Very low | 47.2 | Very low | 60 Ų | 60 | 119 Ų | 119 | 41% | 0.405 | 61% | 0.606 | S | S | . | * | trans | -91.8 | 86 | -175.1 | -56.8 | 0 | 0 | 0 | 0 | 110.4 | N230 | N230-C237 PolarHBondContact ND2-SG 3.49Š| ||
| 238 | D | 40.2 | Very low | 48.7 | Very low | 144 Ų | 144 | 120.3 Ų | 120.3 | 77% | 0.77 | 62% | 0.615 | S | S | * | * | trans | -143.2 | 142.4 | 163.1 | -87.2 | -50.5 | 0 | 0 | 0 | 109.2 | H236 | H236-D238 PolarHBondContact O-N 2.86Š| ||
| 239 | E | 42.4 | Very low | 50.3 | Low | 157 Ų | 157 | 115 Ų | 115 | 73% | 0.734 | 61% | 0.606 | S | S | * | * | trans | 83.7 | 97.4 | -179.9 | -55.4 | -167.7 | 174.1 | 0 | 0 | 118.3 | I241 | E239-I241 PolarHBondContact O-N 3.09Š| ||
| 240 | V | 42.5 | Very low | 52 | Low | 83 Ų | 83 | 112.1 Ų | 112.1 | 50% | 0.503 | 60% | 0.598 | S | S | . | * | trans | -81.1 | 108.1 | 164.3 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | Q232 I242 | Q232-V240 VanDerWaalsContact CD-CG2 3.47Å; Q232-V240 HydrophobicContact CG-CG2 4.03Å; V240-I242 HydrophobicContact CG1-CG1 4.14Å | ||
| 241 | I | 48.5 | Very low | 54 | Low | 93 Ų | 93 | 110 Ų | 110 | 48% | 0.477 | 59% | 0.587 | S | S | . | * | trans | -95.2 | 120.1 | 168.3 | -56.8 | 179.2 | 0 | 0 | 0 | 108.4 | E239 D243 | E239-I241 PolarHBondContact O-N 3.09Å; I241-D243 VanDerWaalsContact C-N 3.27Å; I241-D243 HydrophobicContact CG2-CB 4.48Å; I241-D243 PolarHBondContact O-N 3.16Å | ||
| 242 | I | 56.3 | Low | 55.9 | Low | 152 Ų | 152 | 109 Ų | 109 | 78% | 0.779 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -4.2 | -167.7 | -60.5 | 173.4 | 0 | 0 | 0 | 112.6 | V240 | V240-I242 HydrophobicContact CG1-CG1 4.14Š|
| 243 | D | 60 | Low | 57.5 | Low | 151 Ų | 151 | 105.1 Ų | 105.1 | 81% | 0.807 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | 13 | -167.9 | -63.4 | -35.6 | 0 | 0 | 0 | 115.4 | I241 | I241-D243 VanDerWaalsContact C-N 3.27Å; I241-D243 HydrophobicContact CG2-CB 4.48Å; I241-D243 PolarHBondContact O-N 3.16Å |
| 244 | T | 59 | Low | 59.4 | Low | 90 Ų | 90 | 108.3 Ų | 108.3 | 55% | 0.552 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -94 | 128.1 | 179.9 | 55.1 | 0 | 0 | 0 | 0 | 113.3 | Y233 | Y233-T244 VanDerWaalsContact OH-CG2 3.26Å; Y233-T244 WeakPolarHBondContact OH-CG2 3.03Å |
| 245 | E | 68 | Low | 61.3 | Low | 178 Ų | 178 | 108.3 Ų | 108.3 | 83% | 0.832 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 145.8 | 171 | -67.7 | -172.1 | 170 | 0 | 0 | 111.5 | K247 | E245-K247 PolarHBondContact O-N 3.17Š|
| 246 | P | 67.8 | Low | 62.4 | Low | 123 Ų | 123 | 107.1 Ų | 107.1 | 80% | 0.799 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 132 | -179 | 25.3 | -34.4 | 0 | 0 | 0 | 111 | ||
| 247 | K | 66.3 | Low | 64.1 | Low | 137 Ų | 137 | 105.7 Ų | 105.7 | 60% | 0.596 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 132 | -180 | -166.3 | -178.6 | -173.4 | -171.6 | 0 | 110.5 | E245 D259 | E245-K247 PolarHBondContact O-N 3.17Å; K247-D259 WeakPolarHBondContact CE-OD1 3.16Å; K247-D259 IonicContact NZ-OD1 2.73Å; K247-D259 PolarHBondContact NZ-OD1 3.46Å; K247-D259 IonicContact NZ-OD2 2.72Å; K247-D259 PolarHBondContact NZ-OD2 2.92Å |
| 248 | P | 78.2 | Confident | 66 | Low | 32 Ų | 32 | 104.7 Ų | 104.7 | 21% | 0.208 | 55% | 0.551 | C | S | . | * | P | Polyproline II helix | trans | -59.4 | 153.8 | 176.5 | -20.8 | 30.9 | 0 | 0 | 0 | 112.1 | H260 K275 | P248-H260 HydrophobicContact CB-CB 3.85Å; P248-H260 HydrophobicContact CG-CB 4.2Å; P248-K275 HydrophobicContact CB-CB 3.99Å; P248-K275 HydrophobicContact CB-CD 4.47Å; P248-K275 HydrophobicContact CB-CG 3.84Å; P248-K275 HydrophobicContact CG-CG 4.25Å |
| 249 | P | 82.6 | Confident | 67.7 | Low | 83 Ų | 83 | 100.8 Ų | 100.8 | 54% | 0.539 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 144.8 | -180 | 26.3 | -31.8 | 0 | 0 | 0 | 111.5 | K275 G276 | P249-K275 WeakPolarHBondContact CG-O 3.21Å; P249-K275 CarbonylContact O-C 3.51Å; P249-G276 WeakPolarHBondContact O-CA 3.02Å; P249-G276 PolarHBondContact O-N 3.3Å |
| 250 | A | 85.7 | Confident | 69.6 | Low | 49 Ų | 49 | 96.1 Ų | 96.1 | 41% | 0.405 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 158.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | I257 Y258 | A250-I257 HydrophobicContact CB-CG2 3.71Å; A250-Y258 CarbonylContact C-O 3.55Å; A250-Y258 WeakPolarHBondContact CA-O 3.44Å; A250-Y258 VanDerWaalsContact CB-O 3.29Å; A250-Y258 WeakPolarHBondContact CB-O 3.26Å |
| 251 | C | 81.8 | Confident | 71.5 | Confident | 1 Ų | 1 | 96.8 Ų | 96.8 | 1% | 0.007 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 133 | 177.3 | -68.2 | 0 | 0 | 0 | 0 | 111.1 | I257 Y258 W264 C273 G276 I278 | C251-I257 CarbonylContact O-C 3.58Å; C251-I257 WeakPolarHBondContact O-CA 3.44Å; C251-Y258 PolarHBondContact N-O 3.09Å; C251-Y258 PolarHBondContact O-N 3.5Å; C251-W264 HydrophobicContact CB-CH2 4.37Å; C251-C273 HydrophobicContact CB-CB 3.74Å; C251-C273 WeakPolarHBondContact CB-SG 3.29Å; C251-C273 PolarHBondContact N-SG 3.34Å; C251-C273 VanDerWaalsContact N-SG 3.36Å; C251-C273 WeakPolarHBondContact SG-CA 3.42Å; C251-C273 WeakPolarHBondContact SG-CB 3.35Å; C251-C273 CovalentContact SG-SG 2.03Å; C251-C273 PolarHBondContact SG-SG 2.75Å; C251-G276 VanDerWaalsContact SG-CA 3.54Å; C251-I278 HydrophobicContact CB-CD1 4.18Å; C251-I278 HydrophobicContact CB-CG1 3.64Å |
| 252 | N | 80.7 | Confident | 72.9 | Confident | 111 Ų | 111 | 95.7 Ų | 95.7 | 59% | 0.594 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 114.2 | 169.2 | -178.6 | -10.5 | 0 | 0 | 0 | 109.7 | G255 R256 I278 | N252-G255 WeakPolarHBondContact OD1-CA 3.46Å; N252-G255 PolarHBondContact OD1-N 2.78Å; N252-G255 VanDerWaalsContact OD1-N 3.13Å; N252-R256 WeakPolarHBondContact CA-O 3.34Å; N252-I278 VanDerWaalsContact O-CD1 3.31Å; N252-I278 WeakPolarHBondContact O-CD1 3.34Å |
| 253 | F | 74.3 | Confident | 74 | Confident | 26 Ų | 26 | 92.5 Ų | 92.5 | 11% | 0.114 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 111.7 | -179.2 | -178.1 | -104.8 | 0 | 0 | 0 | 109.2 | G255 R256 Y258 W264 Y266 I278 | F253-G255 VanDerWaalsContact C-N 3.27Å; F253-G255 PolarHBondContact O-N 3.02Å; F253-R256 PolarHBondContact N-O 3.22Å; F253-R256 PolarHBondContact O-N 3.47Å; F253-Y258 HydrophobicContact CB-CD2 3.9Å; F253-Y258 HydrophobicContact CB-CE2 3.76Å; F253-Y258 AromaticContact CD1-CE2 3.98Å; F253-Y258 HydrophobicContact CD1-CE2 3.98Å; F253-Y258 HydrophobicContact CG-CE2 4.35Å; F253-W264 HydrophobicContact CB-CZ2 3.97Å; F253-W264 AromaticContact CD1-CE2 3.86Å; F253-W264 HydrophobicContact CD1-CZ2 4.11Å; F253-W264 AromaticContact CD1-NE1 3.18Å; F253-W264 HydrophobicContact CD2-CZ2 4.24Å; F253-W264 AromaticContact CE1-CD1 3.91Å; F253-W264 AromaticContact CE1-NE1 3.14Å; F253-W264 AromaticContact CG-CZ2 3.87Å; F253-W264 HydrophobicContact CG-CZ2 3.87Å; F253-W264 AromaticContact CG-NE1 3.84Å; F253-W264 AromaticContact CZ-NE1 3.76Å; F253-Y266 HydrophobicContact CE1-CD1 4.14Å; F253-Y266 AromaticContact CE1-CD2 3.67Å; F253-Y266 HydrophobicContact CE1-CD2 3.67Å; F253-Y266 HydrophobicContact CE1-CE2 4.29Å; F253-Y266 AromaticContact CE1-CG 3.57Å; F253-Y266 HydrophobicContact CE1-CG 3.57Å; F253-Y266 AromaticContact CZ-CD1 3.54Å; F253-Y266 HydrophobicContact CZ-CD1 3.54Å; F253-Y266 AromaticContact CZ-CD2 3.94Å; F253-Y266 HydrophobicContact CZ-CD2 3.94Å; F253-Y266 HydrophobicContact CZ-CE1 4.05Å; F253-Y266 HydrophobicContact CZ-CE2 4.41Å; F253-Y266 AromaticContact CZ-CG 3.46Å; F253-Y266 HydrophobicContact CZ-CG 3.46Å; F253-Y266 VanDerWaalsContact CZ-CG 3.46Å; F253-I278 HydrophobicContact CB-CD1 3.93Å; F253-I278 HydrophobicContact CD2-CD1 4.05Å; F253-I278 HydrophobicContact CD2-CG2 4.01Å; F253-I278 HydrophobicContact CE2-CG2 4.27Å; F253-I278 HydrophobicContact CG-CD1 4.48Å |
| 254 | Y | 75.6 | Confident | 74.8 | Confident | 173 Ų | 173 | 86.3 Ų | 86.3 | 68% | 0.678 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 41.8 | -174.6 | -63.5 | -79.5 | 0 | 0 | 0 | 114.4 | R256 Y266 | Y254-R256 PolarHBondContact O-N 2.8Å; Y254-Y266 HydrophobicContact CD2-CE2 4.1Å; Y254-Y266 AromaticContact CE2-CE1 3.78Å; Y254-Y266 HydrophobicContact CE2-CE1 3.78Å; Y254-Y266 AromaticContact CE2-CE2 3.88Å; Y254-Y266 HydrophobicContact CE2-CE2 3.88Å; Y254-Y266 AromaticContact CE2-CZ 3.41Å; Y254-Y266 VanDerWaalsContact CE2-CZ 3.41Å; Y254-Y266 WeakPolarHBondContact CE2-OH 3.35Å; Y254-Y266 AromaticContact CZ-CZ 3.81Å; Y254-Y266 VanDerWaalsContact CZ-OH 3.27Å; Y254-Y266 PolarHBondContact OH-OH 3.39Å |
| 255 | G | 72.4 | Confident | 75 | Confident | 65 Ų | 65 | 87.4 Ų | 87.4 | 67% | 0.67 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | -3.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | N252 F253 | N252-G255 WeakPolarHBondContact OD1-CA 3.46Å; N252-G255 PolarHBondContact OD1-N 2.78Å; N252-G255 VanDerWaalsContact OD1-N 3.13Å; F253-G255 VanDerWaalsContact C-N 3.27Å; F253-G255 PolarHBondContact O-N 3.02Å |
| 256 | R | 61.3 | Low | 74.8 | Confident | 177 Ų | 177 | 83.2 Ų | 83.2 | 67% | 0.668 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 138.7 | 167.8 | -66.3 | -174.1 | -179.2 | -166 | 0.3 | 110.1 | N252 F253 Y254 Y258 | N252-R256 WeakPolarHBondContact CA-O 3.34Å; F253-R256 PolarHBondContact N-O 3.22Å; F253-R256 PolarHBondContact O-N 3.47Å; Y254-R256 PolarHBondContact O-N 2.8Å; R256-Y258 HydrophobicContact CB-CD2 4.4Å; R256-Y258 HydrophobicContact CB-CE2 3.72Å |
| 257 | I | 70.9 | Confident | 74.3 | Confident | 134 Ų | 134 | 82 Ų | 82 | 69% | 0.687 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 125.8 | 175.8 | -56.9 | 176.5 | 0 | 0 | 0 | 108 | A250 C251 | A250-I257 HydrophobicContact CB-CG2 3.71Å; C251-I257 CarbonylContact O-C 3.58Å; C251-I257 WeakPolarHBondContact O-CA 3.44Å |
| 258 | Y | 72.4 | Confident | 73.5 | Confident | 40 Ų | 40 | 79.9 Ų | 79.9 | 16% | 0.157 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 133.8 | 174.5 | -66.6 | -92.8 | 0 | 0 | 0 | 108.3 | A250 C251 F253 R256 D262 W264 | A250-Y258 CarbonylContact C-O 3.55Å; A250-Y258 WeakPolarHBondContact CA-O 3.44Å; A250-Y258 VanDerWaalsContact CB-O 3.29Å; A250-Y258 WeakPolarHBondContact CB-O 3.26Å; C251-Y258 PolarHBondContact N-O 3.09Å; C251-Y258 PolarHBondContact O-N 3.5Å; F253-Y258 HydrophobicContact CB-CD2 3.9Å; F253-Y258 HydrophobicContact CB-CE2 3.76Å; F253-Y258 AromaticContact CD1-CE2 3.98Å; F253-Y258 HydrophobicContact CD1-CE2 3.98Å; F253-Y258 HydrophobicContact CG-CE2 4.35Å; R256-Y258 HydrophobicContact CB-CD2 4.4Å; R256-Y258 HydrophobicContact CB-CE2 3.72Å; Y258-D262 HydrophobicContact CD1-CB 4.38Å; Y258-W264 HydrophobicContact CD1-CB 4.31Å; Y258-W264 AromaticContact CD1-CD2 3.61Å; Y258-W264 HydrophobicContact CD1-CD2 3.61Å; Y258-W264 AromaticContact CD1-CE3 3.34Å; Y258-W264 HydrophobicContact CD1-CE3 3.34Å; Y258-W264 HydrophobicContact CD1-CG 4.06Å; Y258-W264 AromaticContact CD1-CZ3 3.84Å; Y258-W264 HydrophobicContact CD1-CZ3 3.84Å; Y258-W264 HydrophobicContact CD2-CD2 4.37Å; Y258-W264 HydrophobicContact CD2-CE3 4.41Å; Y258-W264 HydrophobicContact CD2-CH2 4.25Å; Y258-W264 HydrophobicContact CD2-CZ2 4.18Å; Y258-W264 HydrophobicContact CD2-CZ3 4.35Å; Y258-W264 HydrophobicContact CE1-CB 3.62Å; Y258-W264 AromaticContact CE1-CD2 3.49Å; Y258-W264 HydrophobicContact CE1-CD2 3.49Å; Y258-W264 VanDerWaalsContact CE1-CD2 3.49Å; Y258-W264 AromaticContact CE1-CE3 3.75Å; Y258-W264 HydrophobicContact CE1-CE3 3.75Å; Y258-W264 AromaticContact CE1-CG 3.45Å; Y258-W264 HydrophobicContact CE1-CG 3.45Å; Y258-W264 VanDerWaalsContact CE1-CG 3.45Å; Y258-W264 HydrophobicContact CE2-CD2 4.29Å; Y258-W264 HydrophobicContact CE2-CZ2 4.41Å; Y258-W264 HydrophobicContact CG-CD2 4.04Å; Y258-W264 AromaticContact CG-CE3 3.7Å; Y258-W264 HydrophobicContact CG-CE3 3.7Å; Y258-W264 HydrophobicContact CG-CH2 4.04Å; Y258-W264 HydrophobicContact CG-CZ2 4.33Å; Y258-W264 AromaticContact CG-CZ3 3.7Å; Y258-W264 HydrophobicContact CG-CZ3 3.7Å; Y258-W264 AromaticContact CZ-CD1 3.86Å; Y258-W264 AromaticContact CZ-CD2 3.84Å; Y258-W264 AromaticContact CZ-CG 3.76Å |
| 259 | D | 75.8 | Confident | 72.8 | Confident | 62 Ų | 62 | 81 Ų | 81 | 33% | 0.332 | 44% | 0.436 | S | S | . | . | trans | -69.6 | 170.2 | 179.8 | -151.8 | -9.5 | 0 | 0 | 0 | 111.4 | K247 D262 C273 | K247-D259 WeakPolarHBondContact CE-OD1 3.16Å; K247-D259 IonicContact NZ-OD1 2.73Å; K247-D259 PolarHBondContact NZ-OD1 3.46Å; K247-D259 IonicContact NZ-OD2 2.72Å; K247-D259 PolarHBondContact NZ-OD2 2.92Å; D259-D262 PolarHBondContact N-OD2 2.85Å; D259-D262 WeakPolarHBondContact O-CB 3.35Å; D259-D262 PolarHBondContact O-N 3.36Å; D259-C273 WeakPolarHBondContact O-CB 3.23Å | ||
| 260 | H | 80.5 | Confident | 72.1 | Confident | 59 Ų | 59 | 83.1 Ų | 83.1 | 27% | 0.273 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 142.2 | 172.9 | 108.6 | 80.9 | 0 | 0 | 0 | 110.7 | P248 D262 | P248-H260 HydrophobicContact CB-CB 3.85Å; P248-H260 HydrophobicContact CG-CB 4.2Å; H260-D262 PolarHBondContact O-N 2.99Å; H260-D262 VanDerWaalsContact O-N 3.13Å |
| 261 | D | 83.1 | Confident | 71.9 | Confident | 96 Ų | 96 | 80.8 Ų | 80.8 | 51% | 0.513 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 2.2 | -175 | -58.2 | 2.1 | 0 | 0 | 0 | 115.4 | N263 C273 | D261-N263 PolarHBondContact O-N 3.28Å; D261-N263 PolarHBondContact O-ND2 3.26Å; D261-C273 WeakPolarHBondContact CA-O 3.06Å; D261-C273 PolarHBondContact N-O 2.03Å |
| 262 | D | 77.7 | Confident | 72.2 | Confident | 70 Ų | 70 | 83.6 Ų | 83.6 | 37% | 0.374 | 43% | 0.427 | S | S | . | . | trans | -57.3 | 140.3 | 169.2 | -90.9 | -12.1 | 0 | 0 | 0 | 110.9 | Y258 D259 H260 W264 H272 C273 | Y258-D262 HydrophobicContact CD1-CB 4.38Å; D259-D262 PolarHBondContact N-OD2 2.85Å; D259-D262 WeakPolarHBondContact O-CB 3.35Å; D259-D262 PolarHBondContact O-N 3.36Å; H260-D262 PolarHBondContact O-N 2.99Å; H260-D262 VanDerWaalsContact O-N 3.13Å; D262-W264 HydrophobicContact CB-CE3 4.5Å; D262-W264 WeakPolarHBondContact O-CZ3 3.43Å; D262-H272 CarbonylContact O-C 3.52Å; D262-H272 WeakPolarHBondContact O-CA 3.21Å; D262-H272 WeakPolarHBondContact O-CB 3.05Å; D262-C273 PolarHBondContact O-N 2.98Å | ||
| 263 | N | 80.7 | Confident | 72.6 | Confident | 85 Ų | 85 | 78.3 Ų | 78.3 | 46% | 0.455 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 131.7 | 177.6 | -82 | -115.1 | 0 | 0 | 0 | 109.1 | D261 R270 C271 | D261-N263 PolarHBondContact O-N 3.28Å; D261-N263 PolarHBondContact O-ND2 3.26Å; N263-R270 PolarHBondContact OD1-NE 2.9Å; N263-R270 PolarHBondContact OD1-NH2 3.38Å; N263-C271 CarbonylContact C-O 3.48Å; N263-C271 WeakPolarHBondContact CA-O 3.04Å |
| 264 | W | 76.1 | Confident | 73.4 | Confident | 22 Ų | 22 | 80.1 Ų | 80.1 | 8% | 0.083 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 167.8 | 174.8 | 65.7 | 101.9 | 0 | 0 | 0 | 111.6 | C251 F253 Y258 D262 C271 C273 I278 | C251-W264 HydrophobicContact CB-CH2 4.37Å; F253-W264 HydrophobicContact CB-CZ2 3.97Å; F253-W264 AromaticContact CD1-CE2 3.86Å; F253-W264 HydrophobicContact CD1-CZ2 4.11Å; F253-W264 AromaticContact CD1-NE1 3.18Å; F253-W264 HydrophobicContact CD2-CZ2 4.24Å; F253-W264 AromaticContact CE1-CD1 3.91Å; F253-W264 AromaticContact CE1-NE1 3.14Å; F253-W264 AromaticContact CG-CZ2 3.87Å; F253-W264 HydrophobicContact CG-CZ2 3.87Å; F253-W264 AromaticContact CG-NE1 3.84Å; F253-W264 AromaticContact CZ-NE1 3.76Å; Y258-W264 HydrophobicContact CD1-CB 4.31Å; Y258-W264 AromaticContact CD1-CD2 3.61Å; Y258-W264 HydrophobicContact CD1-CD2 3.61Å; Y258-W264 AromaticContact CD1-CE3 3.34Å; Y258-W264 HydrophobicContact CD1-CE3 3.34Å; Y258-W264 HydrophobicContact CD1-CG 4.06Å; Y258-W264 AromaticContact CD1-CZ3 3.84Å; Y258-W264 HydrophobicContact CD1-CZ3 3.84Å; Y258-W264 HydrophobicContact CD2-CD2 4.37Å; Y258-W264 HydrophobicContact CD2-CE3 4.41Å; Y258-W264 HydrophobicContact CD2-CH2 4.25Å; Y258-W264 HydrophobicContact CD2-CZ2 4.18Å; Y258-W264 HydrophobicContact CD2-CZ3 4.35Å; Y258-W264 HydrophobicContact CE1-CB 3.62Å; Y258-W264 AromaticContact CE1-CD2 3.49Å; Y258-W264 HydrophobicContact CE1-CD2 3.49Å; Y258-W264 VanDerWaalsContact CE1-CD2 3.49Å; Y258-W264 AromaticContact CE1-CE3 3.75Å; Y258-W264 HydrophobicContact CE1-CE3 3.75Å; Y258-W264 AromaticContact CE1-CG 3.45Å; Y258-W264 HydrophobicContact CE1-CG 3.45Å; Y258-W264 VanDerWaalsContact CE1-CG 3.45Å; Y258-W264 HydrophobicContact CE2-CD2 4.29Å; Y258-W264 HydrophobicContact CE2-CZ2 4.41Å; Y258-W264 HydrophobicContact CG-CD2 4.04Å; Y258-W264 AromaticContact CG-CE3 3.7Å; Y258-W264 HydrophobicContact CG-CE3 3.7Å; Y258-W264 HydrophobicContact CG-CH2 4.04Å; Y258-W264 HydrophobicContact CG-CZ2 4.33Å; Y258-W264 AromaticContact CG-CZ3 3.7Å; Y258-W264 HydrophobicContact CG-CZ3 3.7Å; Y258-W264 AromaticContact CZ-CD1 3.86Å; Y258-W264 AromaticContact CZ-CD2 3.84Å; Y258-W264 AromaticContact CZ-CG 3.76Å; D262-W264 HydrophobicContact CB-CE3 4.5Å; D262-W264 WeakPolarHBondContact O-CZ3 3.43Å; W264-C271 HydrophobicContact CD2-CB 3.77Å; W264-C271 HydrophobicContact CE3-CB 4.44Å; W264-C271 HydrophobicContact CG-CB 4.12Å; W264-C271 HydrophobicContact CH2-CB 4.33Å; W264-C271 HydrophobicContact CZ2-CB 3.64Å; W264-C271 PolarHBondContact N-O 3.25Å; W264-C271 PolarHBondContact O-N 3.05Å; W264-C273 HydrophobicContact CH2-CB 4.23Å; W264-C273 HydrophobicContact CZ3-CB 3.94Å; W264-I278 HydrophobicContact CH2-CG1 4.09Å; W264-I278 HydrophobicContact CH2-CG2 4.16Å; W264-I278 HydrophobicContact CZ2-CG1 4.2Å; W264-I278 HydrophobicContact CZ2-CG2 3.77Å |
| 265 | T | 63.7 | Low | 74 | Confident | 112 Ų | 112 | 78.6 Ų | 78.6 | 69% | 0.687 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 133.2 | 173.3 | 51.5 | 0 | 0 | 0 | 0 | 109.8 | Q269 | T265-Q269 CarbonylContact C-O 3.59Å; T265-Q269 VanDerWaalsContact CA-O 3.3Å; T265-Q269 WeakPolarHBondContact CA-O 3.02Å |
| 266 | Y | 62.4 | Low | 74.7 | Confident | 91 Ų | 91 | 77 Ų | 77 | 36% | 0.357 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 128.5 | 177.4 | 176.3 | -96.7 | 0 | 0 | 0 | 109.5 | F253 Y254 C268 Q269 | F253-Y266 HydrophobicContact CE1-CD1 4.14Å; F253-Y266 AromaticContact CE1-CD2 3.67Å; F253-Y266 HydrophobicContact CE1-CD2 3.67Å; F253-Y266 HydrophobicContact CE1-CE2 4.29Å; F253-Y266 AromaticContact CE1-CG 3.57Å; F253-Y266 HydrophobicContact CE1-CG 3.57Å; F253-Y266 AromaticContact CZ-CD1 3.54Å; F253-Y266 HydrophobicContact CZ-CD1 3.54Å; F253-Y266 AromaticContact CZ-CD2 3.94Å; F253-Y266 HydrophobicContact CZ-CD2 3.94Å; F253-Y266 HydrophobicContact CZ-CE1 4.05Å; F253-Y266 HydrophobicContact CZ-CE2 4.41Å; F253-Y266 AromaticContact CZ-CG 3.46Å; F253-Y266 HydrophobicContact CZ-CG 3.46Å; F253-Y266 VanDerWaalsContact CZ-CG 3.46Å; Y254-Y266 HydrophobicContact CD2-CE2 4.1Å; Y254-Y266 AromaticContact CE2-CE1 3.78Å; Y254-Y266 HydrophobicContact CE2-CE1 3.78Å; Y254-Y266 AromaticContact CE2-CE2 3.88Å; Y254-Y266 HydrophobicContact CE2-CE2 3.88Å; Y254-Y266 AromaticContact CE2-CZ 3.41Å; Y254-Y266 VanDerWaalsContact CE2-CZ 3.41Å; Y254-Y266 WeakPolarHBondContact CE2-OH 3.35Å; Y254-Y266 AromaticContact CZ-CZ 3.81Å; Y254-Y266 VanDerWaalsContact CZ-OH 3.27Å; Y254-Y266 PolarHBondContact OH-OH 3.39Å; Y266-C268 PolarHBondContact O-N 3.43Å; Y266-Q269 PolarHBondContact N-O 3.46Å; Y266-Q269 WeakPolarHBondContact O-CA 3.48Å; Y266-Q269 WeakPolarHBondContact O-CB 3.43Å; Y266-Q269 PolarHBondContact O-N 3.2Å |
| 267 | S | 57.5 | Low | 76.1 | Confident | 97 Ų | 97 | 74.5 Ų | 74.5 | 68% | 0.678 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.5 | 52.7 | 173.1 | -168.7 | 0 | 0 | 0 | 0 | 114.8 | Q269 | S267-Q269 PolarHBondContact O-N 2.81Š|
| 268 | C | 50.5 | Low | 76.9 | Confident | 93 Ų | 93 | 70.9 Ų | 70.9 | 63% | 0.628 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 9.5 | -176.1 | -59.8 | 0 | 0 | 0 | 0 | 116.2 | Y266 V283 | Y266-C268 PolarHBondContact O-N 3.43Å; C268-V283 VanDerWaalsContact O-CB 3.28Å; C268-V283 WeakPolarHBondContact O-CB 3.14Å; C268-V283 WeakPolarHBondContact O-CG2 3.3Å; C268-V283 PolarHBondContact O-N 3.34Å |
| 269 | Q | 63.5 | Low | 77.8 | Confident | 56 Ų | 56 | 71.4 Ų | 71.4 | 26% | 0.262 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 149.4 | 171.9 | -53.5 | -173.8 | -39.5 | 0 | 0 | 110.8 | T265 Y266 S267 C280 T281 D282 | T265-Q269 CarbonylContact C-O 3.59Å; T265-Q269 VanDerWaalsContact CA-O 3.3Å; T265-Q269 WeakPolarHBondContact CA-O 3.02Å; Y266-Q269 PolarHBondContact N-O 3.46Å; Y266-Q269 WeakPolarHBondContact O-CA 3.48Å; Y266-Q269 WeakPolarHBondContact O-CB 3.43Å; Y266-Q269 PolarHBondContact O-N 3.2Å; S267-Q269 PolarHBondContact O-N 2.81Å; Q269-C280 HydrophobicContact CB-CB 4.13Å; Q269-T281 CarbonylContact C-O 3.6Å; Q269-T281 VanDerWaalsContact CA-O 3.26Å; Q269-T281 WeakPolarHBondContact CA-O 3.3Å; Q269-D282 WeakPolarHBondContact CG-OD1 3.38Å; Q269-D282 PolarHBondContact NE2-OD1 3.05Å |
| 270 | R | 68.7 | Low | 78.1 | Confident | 126 Ų | 126 | 70.6 Ų | 70.6 | 48% | 0.475 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 113.5 | 164.9 | -172.3 | -177.6 | -176.8 | 95.7 | 3 | 108 | N263 C280 T281 V283 | N263-R270 PolarHBondContact OD1-NE 2.9Å; N263-R270 PolarHBondContact OD1-NH2 3.38Å; R270-C280 WeakPolarHBondContact O-CA 3.41Å; R270-T281 PolarHBondContact N-O 2.96Å; R270-T281 PolarHBondContact O-N 3.36Å; R270-T281 PolarHBondContact O-OG1 2.97Å; R270-V283 HydrophobicContact CB-CG2 4.03Å |
| 271 | C | 80.3 | Confident | 78.1 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 148.1 | 178.1 | -59.9 | 0 | 0 | 0 | 0 | 110.8 | N263 W264 I279 C280 | N263-C271 CarbonylContact C-O 3.48Å; N263-C271 WeakPolarHBondContact CA-O 3.04Å; W264-C271 HydrophobicContact CD2-CB 3.77Å; W264-C271 HydrophobicContact CE3-CB 4.44Å; W264-C271 HydrophobicContact CG-CB 4.12Å; W264-C271 HydrophobicContact CH2-CB 4.33Å; W264-C271 HydrophobicContact CZ2-CB 3.64Å; W264-C271 PolarHBondContact N-O 3.25Å; W264-C271 PolarHBondContact O-N 3.05Å; C271-I279 CarbonylContact C-O 3.59Å; C271-I279 VanDerWaalsContact CA-O 3.27Å; C271-I279 WeakPolarHBondContact CA-O 3.22Å; C271-C280 HydrophobicContact CB-CB 4.12Å; C271-C280 WeakPolarHBondContact CB-SG 3.49Å; C271-C280 WeakPolarHBondContact SG-CB 3.33Å; C271-C280 CovalentContact SG-SG 2.04Å; C271-C280 PolarHBondContact SG-SG 3.06Å |
| 272 | H | 88.7 | Confident | 77 | Confident | 61 Ų | 61 | 72.4 Ų | 72.4 | 28% | 0.282 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 154.1 | 169 | 72.8 | 98.6 | 0 | 0 | 0 | 111.9 | D262 I279 | D262-H272 CarbonylContact O-C 3.52Å; D262-H272 WeakPolarHBondContact O-CA 3.21Å; D262-H272 WeakPolarHBondContact O-CB 3.05Å; H272-I279 PolarHBondContact CD2-O 2.72Å; H272-I279 PolarHBondContact N-O 2.94Å; H272-I279 PolarHBondContact O-N 3.08Å |
| 273 | C | 88.3 | Confident | 75.9 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 111.3 | 176.3 | -172.5 | 0 | 0 | 0 | 0 | 110.5 | C251 D259 D261 D262 W264 | C251-C273 HydrophobicContact CB-CB 3.74Å; C251-C273 WeakPolarHBondContact CB-SG 3.29Å; C251-C273 PolarHBondContact N-SG 3.34Å; C251-C273 VanDerWaalsContact N-SG 3.36Å; C251-C273 WeakPolarHBondContact SG-CA 3.42Å; C251-C273 WeakPolarHBondContact SG-CB 3.35Å; C251-C273 CovalentContact SG-SG 2.03Å; C251-C273 PolarHBondContact SG-SG 2.75Å; D259-C273 WeakPolarHBondContact O-CB 3.23Å; D261-C273 WeakPolarHBondContact CA-O 3.06Å; D261-C273 PolarHBondContact N-O 2.03Å; D262-C273 PolarHBondContact O-N 2.98Å; W264-C273 HydrophobicContact CH2-CB 4.23Å; W264-C273 HydrophobicContact CZ3-CB 3.94Å |
| 274 | N | 92.6 | Very high | 74.2 | Confident | 64 Ų | 64 | 74.2 Ų | 74.2 | 34% | 0.342 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 93.6 | 172.9 | -179 | 16 | 0 | 0 | 0 | 109.2 | G276 Q277 I279 | N274-G276 VanDerWaalsContact C-N 3.34Å; N274-G276 PolarHBondContact O-N 2.92Å; N274-Q277 PolarHBondContact N-O 2.93Å; N274-Q277 WeakPolarHBondContact O-CB 3.48Å; N274-Q277 PolarHBondContact O-N 3.3Å; N274-I279 HydrophobicContact CB-CD1 3.67Å; N274-I279 HydrophobicContact CB-CG1 4.33Å |
| 275 | K | 87.8 | Confident | 72.5 | Confident | 140 Ų | 140 | 77.2 Ų | 77.2 | 61% | 0.609 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 51.3 | 176.9 | -51.3 | -169.4 | 178.6 | -170.8 | 0 | 113 | P248 P249 Q277 | P248-K275 HydrophobicContact CB-CB 3.99Å; P248-K275 HydrophobicContact CB-CD 4.47Å; P248-K275 HydrophobicContact CB-CG 3.84Å; P248-K275 HydrophobicContact CG-CG 4.25Å; P249-K275 WeakPolarHBondContact CG-O 3.21Å; P249-K275 CarbonylContact O-C 3.51Å; K275-Q277 VanDerWaalsContact C-N 3.29Å; K275-Q277 PolarHBondContact O-N 2.95Å |
| 276 | G | 85.4 | Confident | 71.3 | Confident | 31 Ų | 31 | 74.8 Ų | 74.8 | 32% | 0.32 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | -12.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | P249 C251 N274 | P249-G276 WeakPolarHBondContact O-CA 3.02Å; P249-G276 PolarHBondContact O-N 3.3Å; C251-G276 VanDerWaalsContact SG-CA 3.54Å; N274-G276 VanDerWaalsContact C-N 3.34Å; N274-G276 PolarHBondContact O-N 2.92Å |
| 277 | Q | 91.2 | Very high | 70.2 | Confident | 126 Ų | 126 | 74.4 Ų | 74.4 | 59% | 0.589 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 127.1 | 171.8 | -172.7 | 176.8 | 3.4 | 0 | 0 | 110.7 | N274 K275 I279 | N274-Q277 PolarHBondContact N-O 2.93Å; N274-Q277 WeakPolarHBondContact O-CB 3.48Å; N274-Q277 PolarHBondContact O-N 3.3Å; K275-Q277 VanDerWaalsContact C-N 3.29Å; K275-Q277 PolarHBondContact O-N 2.95Å; Q277-I279 HydrophobicContact CG-CG1 4.22Å |
| 278 | I | 88 | Confident | 69.2 | Low | 58 Ų | 58 | 77.8 Ų | 77.8 | 30% | 0.297 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 122.8 | 173.4 | -64.3 | 147.8 | 0 | 0 | 0 | 108.5 | C251 N252 F253 W264 | C251-I278 HydrophobicContact CB-CD1 4.18Å; C251-I278 HydrophobicContact CB-CG1 3.64Å; N252-I278 VanDerWaalsContact O-CD1 3.31Å; N252-I278 WeakPolarHBondContact O-CD1 3.34Å; F253-I278 HydrophobicContact CB-CD1 3.93Å; F253-I278 HydrophobicContact CD2-CD1 4.05Å; F253-I278 HydrophobicContact CD2-CG2 4.01Å; F253-I278 HydrophobicContact CE2-CG2 4.27Å; F253-I278 HydrophobicContact CG-CD1 4.48Å; W264-I278 HydrophobicContact CH2-CG1 4.09Å; W264-I278 HydrophobicContact CH2-CG2 4.16Å; W264-I278 HydrophobicContact CZ2-CG1 4.2Å; W264-I278 HydrophobicContact CZ2-CG2 3.77Å |
| 279 | I | 90.8 | Very high | 68.7 | Low | 51 Ų | 51 | 76.7 Ų | 76.7 | 26% | 0.262 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 112.2 | 177.7 | -59.2 | 179.2 | 0 | 0 | 0 | 107.6 | C271 H272 N274 Q277 | C271-I279 CarbonylContact C-O 3.59Å; C271-I279 VanDerWaalsContact CA-O 3.27Å; C271-I279 WeakPolarHBondContact CA-O 3.22Å; H272-I279 PolarHBondContact CD2-O 2.72Å; H272-I279 PolarHBondContact N-O 2.94Å; H272-I279 PolarHBondContact O-N 3.08Å; N274-I279 HydrophobicContact CB-CD1 3.67Å; N274-I279 HydrophobicContact CB-CG1 4.33Å; Q277-I279 HydrophobicContact CG-CG1 4.22Å |
| 280 | C | 83.7 | Confident | 67.8 | Low | 44 Ų | 44 | 80.5 Ų | 80.5 | 30% | 0.297 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 132 | 177.1 | -59.8 | 0 | 0 | 0 | 0 | 110.2 | Q269 R270 C271 | Q269-C280 HydrophobicContact CB-CB 4.13Å; R270-C280 WeakPolarHBondContact O-CA 3.41Å; C271-C280 HydrophobicContact CB-CB 4.12Å; C271-C280 WeakPolarHBondContact CB-SG 3.49Å; C271-C280 WeakPolarHBondContact SG-CB 3.33Å; C271-C280 CovalentContact SG-SG 2.04Å; C271-C280 PolarHBondContact SG-SG 3.06Å |
| 281 | T | 79.4 | Confident | 66.4 | Low | 77 Ų | 77 | 80.8 Ų | 80.8 | 47% | 0.472 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 133.2 | 173.2 | 55.2 | 0 | 0 | 0 | 0 | 109.9 | Q269 R270 V283 | Q269-T281 CarbonylContact C-O 3.6Å; Q269-T281 VanDerWaalsContact CA-O 3.26Å; Q269-T281 WeakPolarHBondContact CA-O 3.3Å; R270-T281 PolarHBondContact N-O 2.96Å; R270-T281 PolarHBondContact O-N 3.36Å; R270-T281 PolarHBondContact O-OG1 2.97Å; T281-V283 PolarHBondContact O-N 3.09Å |
| 282 | D | 60.6 | Low | 64.7 | Low | 117 Ų | 117 | 85.8 Ų | 85.8 | 63% | 0.626 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 127.1 | 174.9 | -64.6 | -50.3 | 0 | 0 | 0 | 110.3 | Q269 T284 | Q269-D282 WeakPolarHBondContact CG-OD1 3.38Å; Q269-D282 PolarHBondContact NE2-OD1 3.05Å; D282-T284 PolarHBondContact O-N 2.86Å |
| 283 | V | 54.2 | Low | 62.5 | Low | 65 Ų | 65 | 87.7 Ų | 87.7 | 39% | 0.394 | 47% | 0.474 | S | S | . | . | trans | -82.7 | 97.4 | 168.9 | -169.6 | 0 | 0 | 0 | 0 | 106.4 | C268 R270 T281 L285 | C268-V283 VanDerWaalsContact O-CB 3.28Å; C268-V283 WeakPolarHBondContact O-CB 3.14Å; C268-V283 WeakPolarHBondContact O-CG2 3.3Å; C268-V283 PolarHBondContact O-N 3.34Å; R270-V283 HydrophobicContact CB-CG2 4.03Å; T281-V283 PolarHBondContact O-N 3.09Å; V283-L285 VanDerWaalsContact C-N 3.28Å; V283-L285 HydrophobicContact CB-CG 4.38Å; V283-L285 HydrophobicContact CG1-CD2 3.69Å; V283-L285 HydrophobicContact CG1-CG 3.96Å; V283-L285 WeakPolarHBondContact O-CG 3.43Å; V283-L285 PolarHBondContact O-N 3.45Å | ||
| 284 | T | 44.1 | Very low | 60.6 | Low | 128 Ų | 128 | 93.4 Ų | 93.4 | 79% | 0.785 | 50% | 0.503 | S | S | * | . | trans | -69 | 87.7 | 174.5 | 54 | 0 | 0 | 0 | 0 | 110.2 | D282 S286 | D282-T284 PolarHBondContact O-N 2.86Å; T284-S286 PolarHBondContact O-N 3.45Å | ||
| 285 | L | 40.9 | Very low | 58.5 | Low | 85 Ų | 85 | 91 Ų | 91 | 45% | 0.445 | 49% | 0.494 | S | S | . | . | trans | -77.8 | 87.6 | -179.6 | -66.1 | 162.3 | 0 | 0 | 0 | 109.9 | V283 S287 F303 | V283-L285 VanDerWaalsContact C-N 3.28Å; V283-L285 HydrophobicContact CB-CG 4.38Å; V283-L285 HydrophobicContact CG1-CD2 3.69Å; V283-L285 HydrophobicContact CG1-CG 3.96Å; V283-L285 WeakPolarHBondContact O-CG 3.43Å; V283-L285 PolarHBondContact O-N 3.45Å; L285-S287 PolarHBondContact O-N 2.91Å; L285-S287 VanDerWaalsContact O-N 3.09Å; L285-F303 HydrophobicContact CB-CE2 3.99Å; L285-F303 HydrophobicContact CB-CZ 3.63Å; L285-F303 HydrophobicContact CD1-CZ 4.02Å; L285-F303 HydrophobicContact CD2-CE2 3.51Å; L285-F303 HydrophobicContact CD2-CZ 3.69Å; L285-F303 HydrophobicContact CG-CE2 4.2Å; L285-F303 HydrophobicContact CG-CZ 3.93Å | ||
| 286 | S | 38.8 | Very low | 56.3 | Low | 61 Ų | 61 | 91.6 Ų | 91.6 | 43% | 0.427 | 51% | 0.512 | S | S | . | . | trans | -62.8 | 108.2 | 173.5 | 151.2 | 0 | 0 | 0 | 0 | 110.1 | T284 R293 | T284-S286 PolarHBondContact O-N 3.45Å; S286-R293 PolarHBondContact O-NH2 2.85Å; S286-R293 PolarHBondContact OG-NH2 3.5Å | ||
| 287 | S | 38.3 | Very low | 54.4 | Low | 83 Ų | 83 | 93.7 Ų | 93.7 | 58% | 0.58 | 52% | 0.516 | S | S | * | . | trans | -117 | 42.8 | -165.4 | 70.1 | 0 | 0 | 0 | 0 | 113.9 | L285 | L285-S287 PolarHBondContact O-N 2.91Å; L285-S287 VanDerWaalsContact O-N 3.09Å | ||
| 288 | L | 37.7 | Very low | 51.9 | Low | 167 Ų | 167 | 90.3 Ų | 90.3 | 87% | 0.874 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -107.7 | 3.2 | -176.5 | -81.5 | 164.9 | 0 | 0 | 0 | 113.9 | ||
| 289 | N | 38.7 | Very low | 49.4 | Very low | 71 Ų | 71 | 95.3 Ų | 95.3 | 38% | 0.38 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -165.7 | 117.8 | -172 | 44.3 | -11.6 | 0 | 0 | 0 | 109.8 | Q291 | N289-Q291 HydrophobicContact CB-CG 4.35Å; N289-Q291 PolarHBondContact O-N 3.36Å |
| 290 | D | 44.7 | Very low | 46.9 | Very low | 135 Ų | 135 | 99.6 Ų | 99.6 | 72% | 0.722 | 55% | 0.549 | S | S | * | . | trans | -72.2 | 45.4 | -173.7 | -51.5 | -65.8 | 0 | 0 | 0 | 114.1 | ||||
| 291 | Q | 40.5 | Very low | 44.8 | Very low | 133 Ų | 133 | 103.3 Ų | 103.3 | 62% | 0.621 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 132.5 | -175 | -65.8 | -168.6 | -14.2 | 0 | 0 | 111.2 | N289 R293 | N289-Q291 HydrophobicContact CB-CG 4.35Å; N289-Q291 PolarHBondContact O-N 3.36Å; Q291-R293 PolarHBondContact O-N 2.7Å |
| 292 | I | 44.8 | Very low | 42.9 | Very low | 104 Ų | 104 | 103.6 Ų | 103.6 | 53% | 0.533 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -58 | 120.8 | 166.3 | -60 | 166.5 | 0 | 0 | 0 | 107.7 | E300 Y301 | I292-E300 HydrophobicContact CG2-CB 3.72Å; I292-E300 HydrophobicContact CG2-CG 3.77Å; I292-Y301 WeakPolarHBondContact CA-O 3.26Å |
| 293 | R | 42.7 | Very low | 42.1 | Very low | 102 Ų | 102 | 101.5 Ų | 101.5 | 39% | 0.385 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 132.6 | 177.1 | -62.2 | -173.5 | 179.7 | -153.4 | -5.9 | 109.3 | S286 Q291 E300 Y301 | S286-R293 PolarHBondContact O-NH2 2.85Å; S286-R293 PolarHBondContact OG-NH2 3.5Å; Q291-R293 PolarHBondContact O-N 2.7Å; R293-E300 CarbonylContact O-C 3.59Å; R293-Y301 PolarHBondContact N-O 2.69Å; R293-Y301 PolarHBondContact O-N 3.31Å |
| 294 | I | 48.5 | Very low | 41.7 | Very low | 119 Ų | 119 | 102.5 Ų | 102.5 | 61% | 0.61 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.2 | 123.6 | 172.9 | -58.8 | 173.3 | 0 | 0 | 0 | 107.9 | R299 E300 | I294-R299 CarbonylContact C-O 3.52Å; I294-R299 WeakPolarHBondContact CA-O 3.19Å; I294-E300 HydrophobicContact CG1-CG 4.01Å |
| 295 | G | 47.4 | Very low | 41.6 | Very low | 15 Ų | 15 | 100.9 Ų | 100.9 | 16% | 0.155 | 53% | 0.534 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 167.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D297 G298 R299 | G295-D297 PolarHBondContact O-N 2.92Å; G295-D297 VanDerWaalsContact O-N 3.1Å; G295-G298 PolarHBondContact O-N 3.44Å; G295-R299 PolarHBondContact N-O 2.72Å |
| 296 | P | 42.2 | Very low | 41.7 | Very low | 151 Ų | 151 | 102.4 Ų | 102.4 | 98% | 0.981 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -11.8 | 175.6 | 28.5 | -35.4 | 0 | 0 | 0 | 113.5 | ||
| 297 | D | 44.6 | Very low | 42 | Very low | 76 Ų | 76 | 104.7 Ų | 104.7 | 41% | 0.406 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 5.6 | 173.4 | 61.2 | -8.5 | 0 | 0 | 0 | 113.5 | G295 R299 | G295-D297 PolarHBondContact O-N 2.92Å; G295-D297 VanDerWaalsContact O-N 3.1Å; D297-R299 VanDerWaalsContact C-N 3.3Å; D297-R299 PolarHBondContact O-N 3.21Å; D297-R299 PolarHBondContact OD1-N 3.25Å; D297-R299 IonicContact OD2-CZ 2.79Å; D297-R299 IonicContact OD2-NE 2.94Å; D297-R299 PolarHBondContact OD2-NE 2.9Å; D297-R299 IonicContact OD2-NH2 3.92Å; D297-R299 PolarHBondContact OD2-NH2 2.73Å |
| 298 | G | 40 | Very low | 42.2 | Very low | 55 Ų | 55 | 101.6 Ų | 101.6 | 57% | 0.567 | 53% | 0.525 | S | S | * | . | S | Bend | trans | 77.7 | 5.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | G295 | G295-G298 PolarHBondContact O-N 3.44Š|
| 299 | R | 34.7 | Very low | 42.6 | Very low | 163 Ų | 163 | 101.1 Ų | 101.1 | 62% | 0.615 | 51% | 0.512 | S | S | * | . | trans | -82 | 138.1 | 177.8 | -77.5 | -173.4 | -83.8 | -142.7 | -8.7 | 112.1 | I294 G295 D297 Y301 | I294-R299 CarbonylContact C-O 3.52Å; I294-R299 WeakPolarHBondContact CA-O 3.19Å; G295-R299 PolarHBondContact N-O 2.72Å; D297-R299 VanDerWaalsContact C-N 3.3Å; D297-R299 PolarHBondContact O-N 3.21Å; D297-R299 PolarHBondContact OD1-N 3.25Å; D297-R299 IonicContact OD2-CZ 2.79Å; D297-R299 IonicContact OD2-NE 2.94Å; D297-R299 PolarHBondContact OD2-NE 2.9Å; D297-R299 IonicContact OD2-NH2 3.92Å; D297-R299 PolarHBondContact OD2-NH2 2.73Å; R299-Y301 HydrophobicContact CB-CE2 3.95Å; R299-Y301 WeakPolarHBondContact O-CD2 3.08Å; R299-Y301 VanDerWaalsContact O-CE2 3.27Å; R299-Y301 WeakPolarHBondContact O-CE2 3.27Å | ||
| 300 | E | 38.9 | Very low | 43.1 | Very low | 141 Ų | 141 | 101.7 Ų | 101.7 | 66% | 0.659 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 129.2 | 173.8 | -76.2 | 178.8 | -165.1 | 0 | 0 | 111.3 | I292 R293 I294 | I292-E300 HydrophobicContact CG2-CB 3.72Å; I292-E300 HydrophobicContact CG2-CG 3.77Å; R293-E300 CarbonylContact O-C 3.59Å; I294-E300 HydrophobicContact CG1-CG 4.01Å |
| 301 | Y | 38.5 | Very low | 43.3 | Very low | 122 Ų | 122 | 98.8 Ų | 98.8 | 48% | 0.478 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 106.4 | 177.1 | -62.6 | -92.6 | 0 | 0 | 0 | 108.7 | I292 R293 R299 | I292-Y301 WeakPolarHBondContact CA-O 3.26Å; R293-Y301 PolarHBondContact N-O 2.69Å; R293-Y301 PolarHBondContact O-N 3.31Å; R299-Y301 HydrophobicContact CB-CE2 3.95Å; R299-Y301 WeakPolarHBondContact O-CD2 3.08Å; R299-Y301 VanDerWaalsContact O-CE2 3.27Å; R299-Y301 WeakPolarHBondContact O-CE2 3.27Å |
| 302 | S | 39.9 | Very low | 43.6 | Very low | 82 Ų | 82 | 94 Ų | 94 | 57% | 0.573 | 48% | 0.48 | S | S | * | . | trans | -89.2 | 144.8 | 168.1 | 62.9 | 0 | 0 | 0 | 0 | 110.5 | I304 | S302-I304 PolarHBondContact O-N 3.41Š| ||
| 303 | F | 44.7 | Very low | 43.8 | Very low | 74 Ų | 74 | 95.5 Ų | 95.5 | 33% | 0.325 | 48% | 0.482 | S | S | . | . | trans | -84.3 | 100.4 | -173.1 | -141.1 | -91.4 | 0 | 0 | 0 | 111.6 | L285 H305 | L285-F303 HydrophobicContact CB-CE2 3.99Å; L285-F303 HydrophobicContact CB-CZ 3.63Å; L285-F303 HydrophobicContact CD1-CZ 4.02Å; L285-F303 HydrophobicContact CD2-CE2 3.51Å; L285-F303 HydrophobicContact CD2-CZ 3.69Å; L285-F303 HydrophobicContact CG-CE2 4.2Å; L285-F303 HydrophobicContact CG-CZ 3.93Å; F303-H305 HydrophobicContact CD1-CB 3.49Å; F303-H305 VanDerWaalsContact CD1-CB 3.49Å; F303-H305 HydrophobicContact CE1-CB 3.44Å; F303-H305 VanDerWaalsContact CE1-CB 3.44Å; F303-H305 PolarHBondContact O-N 2.66Å; F303-H305 VanDerWaalsContact O-N 3.09Å | ||
| 304 | I | 44.8 | Very low | 44.1 | Very low | 86 Ų | 86 | 96.8 Ų | 96.8 | 44% | 0.441 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -10.2 | -173.6 | -69.3 | 154.3 | 0 | 0 | 0 | 113.6 | S302 E306 L307 A308 I371 | S302-I304 PolarHBondContact O-N 3.41Å; I304-E306 PolarHBondContact O-N 3.28Å; I304-L307 PolarHBondContact O-N 3.25Å; I304-A308 HydrophobicContact CG2-CB 4.31Å; I304-A308 WeakPolarHBondContact O-CB 3.46Å; I304-A308 PolarHBondContact O-N 3.02Å; I304-I371 HydrophobicContact CD1-CD1 3.59Å; I304-I371 HydrophobicContact CG1-CD1 4.47Å |
| 305 | H | 41.4 | Very low | 44 | Very low | 94 Ų | 94 | 94.1 Ų | 94.1 | 44% | 0.435 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.9 | -40.1 | -165.2 | -166.8 | -157.9 | 0 | 0 | 0 | 114.9 | F303 R309 | F303-H305 HydrophobicContact CD1-CB 3.49Å; F303-H305 VanDerWaalsContact CD1-CB 3.49Å; F303-H305 HydrophobicContact CE1-CB 3.44Å; F303-H305 VanDerWaalsContact CE1-CB 3.44Å; F303-H305 PolarHBondContact O-N 2.66Å; F303-H305 VanDerWaalsContact O-N 3.09Å; H305-R309 WeakPolarHBondContact O-CB 3.36Å; H305-R309 WeakPolarHBondContact O-CG 3.03Å; H305-R309 PolarHBondContact O-N 3.15Å |
| 306 | E | 43.3 | Very low | 43.8 | Very low | 116 Ų | 116 | 98.1 Ų | 98.1 | 54% | 0.542 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.9 | -40.2 | 177 | -168 | -179.8 | -166.9 | 0 | 0 | 111.5 | I304 A308 R309 N310 | I304-E306 PolarHBondContact O-N 3.28Å; E306-A308 VanDerWaalsContact C-N 3.33Å; E306-A308 PolarHBondContact O-N 2.83Å; E306-R309 PolarHBondContact O-N 2.04Å; E306-N310 WeakPolarHBondContact O-CB 3.41Å; E306-N310 PolarHBondContact O-N 3.47Å; E306-N310 PolarHBondContact O-ND2 3.48Å |
| 307 | L | 45.5 | Very low | 44.1 | Very low | 110 Ų | 110 | 97 Ų | 97 | 58% | 0.576 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.5 | -41.6 | 173.5 | -179.4 | 60.9 | 0 | 0 | 0 | 111.5 | I304 N310 L311 | I304-L307 PolarHBondContact O-N 3.25Å; L307-N310 PolarHBondContact O-N 2.03Å; L307-L311 HydrophobicContact CD1-CD1 4.09Å; L307-L311 HydrophobicContact CD1-CG 4.35Å; L307-L311 HydrophobicContact CG-CD1 3.99Å; L307-L311 WeakPolarHBondContact O-CB 3.5Å; L307-L311 WeakPolarHBondContact O-CG 3.41Å; L307-L311 PolarHBondContact O-N 2.84Å |
| 308 | A | 43.7 | Very low | 44 | Very low | 18 Ų | 18 | 97.3 Ų | 97.3 | 15% | 0.149 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -65.6 | -40.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | I304 E306 S312 | I304-A308 HydrophobicContact CG2-CB 4.31Å; I304-A308 WeakPolarHBondContact O-CB 3.46Å; I304-A308 PolarHBondContact O-N 3.02Å; E306-A308 VanDerWaalsContact C-N 3.33Å; E306-A308 PolarHBondContact O-N 2.83Å; A308-S312 WeakPolarHBondContact O-CB 3Å; A308-S312 PolarHBondContact O-N 3.19Å; A308-S312 PolarHBondContact O-OG 2.89Å |
| 309 | R | 46 | Very low | 43.9 | Very low | 157 Ų | 157 | 96.6 Ų | 96.6 | 59% | 0.592 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.3 | -49.8 | 172.3 | -80.6 | 179.8 | 174.4 | -158 | -6.2 | 111.3 | H305 E306 L311 S312 K313 | H305-R309 WeakPolarHBondContact O-CB 3.36Å; H305-R309 WeakPolarHBondContact O-CG 3.03Å; H305-R309 PolarHBondContact O-N 3.15Å; E306-R309 PolarHBondContact O-N 2.04Å; R309-L311 PolarHBondContact O-N 3.5Å; R309-S312 PolarHBondContact O-N 3.46Å; R309-S312 PolarHBondContact O-OG 2.97Å; R309-K313 WeakPolarHBondContact O-CB 3.16Å; R309-K313 PolarHBondContact O-N 2.91Å |
| 310 | N | 49 | Very low | 43.7 | Very low | 83 Ų | 83 | 94.5 Ų | 94.5 | 44% | 0.444 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.6 | -43.9 | -179.1 | -70.3 | -21 | 0 | 0 | 0 | 111.8 | E306 L307 S312 K313 E314 | E306-N310 WeakPolarHBondContact O-CB 3.41Å; E306-N310 PolarHBondContact O-N 3.47Å; E306-N310 PolarHBondContact O-ND2 3.48Å; L307-N310 PolarHBondContact O-N 2.03Å; N310-S312 PolarHBondContact O-N 2.9Å; N310-K313 PolarHBondContact O-N 3.23Å; N310-E314 PolarHBondContact O-N 2.87Å |
| 311 | L | 47.8 | Very low | 43.5 | Very low | 74 Ų | 74 | 92 Ų | 92 | 39% | 0.387 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.8 | -38.5 | 173.3 | -77 | 166.3 | 0 | 0 | 0 | 112.9 | L307 R309 K313 A315 | L307-L311 HydrophobicContact CD1-CD1 4.09Å; L307-L311 HydrophobicContact CD1-CG 4.35Å; L307-L311 HydrophobicContact CG-CD1 3.99Å; L307-L311 WeakPolarHBondContact O-CB 3.5Å; L307-L311 WeakPolarHBondContact O-CG 3.41Å; L307-L311 PolarHBondContact O-N 2.84Å; R309-L311 PolarHBondContact O-N 3.5Å; L311-K313 VanDerWaalsContact C-N 3.34Å; L311-A315 VanDerWaalsContact O-CB 3.29Å; L311-A315 WeakPolarHBondContact O-CB 2.97Å; L311-A315 PolarHBondContact O-N 3.38Å |
| 312 | S | 47 | Very low | 43.5 | Very low | 31 Ų | 31 | 92.5 Ų | 92.5 | 22% | 0.217 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -66.5 | -36.3 | 175.3 | 70.9 | 0 | 0 | 0 | 0 | 112.4 | A308 R309 N310 A315 Y316 | A308-S312 WeakPolarHBondContact O-CB 3Å; A308-S312 PolarHBondContact O-N 3.19Å; A308-S312 PolarHBondContact O-OG 2.89Å; R309-S312 PolarHBondContact O-N 3.46Å; R309-S312 PolarHBondContact O-OG 2.97Å; N310-S312 PolarHBondContact O-N 2.9Å; S312-A315 PolarHBondContact O-N 3.03Å; S312-Y316 WeakPolarHBondContact O-CB 3.39Å; S312-Y316 PolarHBondContact O-N 3.37Å |
| 313 | K | 49.9 | Very low | 43.4 | Very low | 136 Ų | 136 | 93.1 Ų | 93.1 | 59% | 0.591 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.5 | -42.7 | 176.4 | -170.6 | 175.4 | -178.3 | 176.3 | 0 | 111.5 | R309 N310 L311 Y316 L317 | R309-K313 WeakPolarHBondContact O-CB 3.16Å; R309-K313 PolarHBondContact O-N 2.91Å; N310-K313 PolarHBondContact O-N 3.23Å; L311-K313 VanDerWaalsContact C-N 3.34Å; K313-Y316 PolarHBondContact O-N 3.49Å; K313-L317 HydrophobicContact CG-CD1 4.14Å; K313-L317 WeakPolarHBondContact O-CB 3.44Å; K313-L317 WeakPolarHBondContact O-CD1 3.25Å; K313-L317 WeakPolarHBondContact O-CG 3.38Å; K313-L317 PolarHBondContact O-N 3.47Å |
| 314 | E | 49 | Very low | 43.1 | Very low | 130 Ų | 130 | 95.9 Ų | 95.9 | 61% | 0.607 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.8 | -43.4 | 172.2 | -74.7 | -174.6 | 159.2 | 0 | 0 | 112 | N310 Y316 L317 A318 | N310-E314 PolarHBondContact O-N 2.87Å; E314-Y316 PolarHBondContact O-N 2.97Å; E314-L317 PolarHBondContact O-N 2.97Å; E314-A318 WeakPolarHBondContact O-CB 3.39Å; E314-A318 PolarHBondContact O-N 2.89Å |
| 315 | A | 45.1 | Very low | 42.8 | Very low | 63 Ų | 63 | 94.7 Ų | 94.7 | 52% | 0.521 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.1 | -37.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L311 S312 A318 A319 | L311-A315 VanDerWaalsContact O-CB 3.29Å; L311-A315 WeakPolarHBondContact O-CB 2.97Å; L311-A315 PolarHBondContact O-N 3.38Å; S312-A315 PolarHBondContact O-N 3.03Å; A315-A318 PolarHBondContact O-N 3.07Å; A315-A319 PolarHBondContact O-N 3.03Å; A315-A319 VanDerWaalsContact O-N 3.13Å |
| 316 | Y | 44.5 | Very low | 42.5 | Very low | 98 Ų | 98 | 98.5 Ų | 98.5 | 38% | 0.384 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.9 | -48 | 171.9 | 172 | -98.6 | 0 | 0 | 0 | 111.7 | S312 K313 E314 A318 A319 | S312-Y316 WeakPolarHBondContact O-CB 3.39Å; S312-Y316 PolarHBondContact O-N 3.37Å; K313-Y316 PolarHBondContact O-N 3.49Å; E314-Y316 PolarHBondContact O-N 2.97Å; Y316-A318 VanDerWaalsContact C-N 3.26Å; Y316-A318 PolarHBondContact O-N 3.37Å; Y316-A319 PolarHBondContact O-N 3.25Å |
| 317 | L | 47 | Very low | 42.3 | Very low | 128 Ų | 128 | 97.1 Ų | 97.1 | 67% | 0.67 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.9 | -23.4 | 178.4 | -69.8 | 167.8 | 0 | 0 | 0 | 113.5 | K313 E314 | K313-L317 HydrophobicContact CG-CD1 4.14Å; K313-L317 WeakPolarHBondContact O-CB 3.44Å; K313-L317 WeakPolarHBondContact O-CD1 3.25Å; K313-L317 WeakPolarHBondContact O-CG 3.38Å; K313-L317 PolarHBondContact O-N 3.47Å; E314-L317 PolarHBondContact O-N 2.97Å |
| 318 | A | 43.5 | Very low | 42.1 | Very low | 83 Ų | 83 | 96 Ų | 96 | 69% | 0.686 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -3.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | E314 A315 Y316 | E314-A318 WeakPolarHBondContact O-CB 3.39Å; E314-A318 PolarHBondContact O-N 2.89Å; A315-A318 PolarHBondContact O-N 3.07Å; Y316-A318 VanDerWaalsContact C-N 3.26Å; Y316-A318 PolarHBondContact O-N 3.37Å |
| 319 | A | 38.1 | Very low | 41.9 | Very low | 39 Ų | 39 | 99.5 Ų | 99.5 | 32% | 0.322 | 52% | 0.518 | S | S | . | . | trans | -73 | 133.6 | 177 | 0 | 0 | 0 | 0 | 0 | 110.8 | A315 Y316 T321 | A315-A319 PolarHBondContact O-N 3.03Å; A315-A319 VanDerWaalsContact O-N 3.13Å; Y316-A319 PolarHBondContact O-N 3.25Å; A319-T321 PolarHBondContact O-N 3.48Å; A319-T321 VanDerWaalsContact O-N 3.12Å | ||
| 320 | S | 29.9 | Very low | 41.7 | Very low | 119 Ų | 119 | 93.2 Ų | 93.2 | 83% | 0.832 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -70.7 | -3.3 | 179.1 | 52.7 | 0 | 0 | 0 | 0 | 114.4 | ||
| 321 | T | 34.1 | Very low | 41.3 | Very low | 89 Ų | 89 | 96.6 Ų | 96.6 | 55% | 0.546 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -139.3 | 129.5 | -179.4 | 53.4 | 0 | 0 | 0 | 0 | 109.5 | A319 L323 | A319-T321 PolarHBondContact O-N 3.48Å; A319-T321 VanDerWaalsContact O-N 3.12Å; T321-L323 PolarHBondContact O-N 3.08Å |
| 322 | N | 40 | Very low | 40.9 | Very low | 132 Ų | 132 | 100.5 Ų | 100.5 | 71% | 0.706 | 53% | 0.528 | S | S | * | . | trans | -64.9 | 92.5 | 174.1 | -74.9 | -30.1 | 0 | 0 | 0 | 110.8 | K324 | N322-K324 PolarHBondContact O-N 3.49Š| ||
| 323 | L | 37.2 | Very low | 40.4 | Very low | 95 Ų | 95 | 106.8 Ų | 106.8 | 50% | 0.497 | 55% | 0.551 | S | S | . | * | trans | -70.7 | 88.8 | 172.8 | -81.8 | 159.4 | 0 | 0 | 0 | 109.8 | T321 L365 | T321-L323 PolarHBondContact O-N 3.08Å; L323-L365 HydrophobicContact CB-CD1 4.5Å; L323-L365 HydrophobicContact CD1-CD1 4.35Å | ||
| 324 | K | 39.3 | Very low | 39.7 | Very low | 133 Ų | 133 | 105.9 Ų | 105.9 | 58% | 0.578 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 125 | 172.7 | -69.5 | -164.4 | 174.8 | -164.2 | 0 | 111.1 | N322 | N322-K324 PolarHBondContact O-N 3.49Š|
| 325 | L | 38.4 | Very low | 38.9 | Very low | 60 Ų | 60 | 107 Ų | 107 | 31% | 0.314 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -71.2 | 124.2 | 164.5 | -105 | 154 | 0 | 0 | 0 | 109.6 | N329 I363 L365 | L325-N329 HydrophobicContact CD2-CB 4.38Å; L325-I363 WeakPolarHBondContact CD1-O 3.32Å; L325-L365 HydrophobicContact CD1-CD2 4.08Å |
| 326 | R | 34.9 | Very low | 38.2 | Very low | 174 Ų | 174 | 106.2 Ų | 106.2 | 66% | 0.657 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 129.1 | 179.8 | -178.7 | 173.5 | 167.3 | 159.2 | -3.1 | 110.7 | D328 N329 | R326-D328 HydrophobicContact CG-CB 4.26Å; R326-D328 IonicContact CZ-OD2 2.74Å; R326-D328 IonicContact NE-OD2 3.14Å; R326-D328 PolarHBondContact NE-OD2 2.73Å; R326-D328 IonicContact NH2-OD2 2.68Å; R326-D328 PolarHBondContact NH2-OD2 3.13Å; R326-D328 PolarHBondContact O-N 3.32Å; R326-N329 WeakPolarHBondContact O-CB 3.15Å; R326-N329 PolarHBondContact O-N 3.46Å |
| 327 | K | 38.1 | Very low | 37.6 | Very low | 87 Ų | 87 | 106.1 Ų | 106.1 | 38% | 0.378 | 58% | 0.575 | S | S | . | * | G | 310 helix | trans | -56.7 | -22.9 | -176.9 | -100.1 | -168.3 | -171.6 | 175.2 | 0 | 115.1 | N329 L330 E360 | K327-N329 PolarHBondContact O-N 2.88Å; K327-L330 HydrophobicContact CG-CD2 4.38Å; K327-L330 VanDerWaalsContact O-CB 3.31Å; K327-L330 WeakPolarHBondContact O-CB 3.25Å; K327-L330 PolarHBondContact O-N 3.36Å; K327-E360 HydrophobicContact CD-CB 4.47Å; K327-E360 HydrophobicContact CD-CG 4.45Å; K327-E360 VanDerWaalsContact CD-OE1 3.23Å; K327-E360 WeakPolarHBondContact CD-OE1 3.18Å; K327-E360 WeakPolarHBondContact CE-OE1 3.1Å; K327-E360 IonicContact NZ-OE1 3.32Å; K327-E360 PolarHBondContact NZ-OE1 3.27Å |
| 328 | D | 41.7 | Very low | 37 | Very low | 88 Ų | 88 | 107.2 Ų | 107.2 | 47% | 0.471 | 58% | 0.581 | S | S | . | * | G | 310 helix | trans | -61.2 | -28.8 | 173.3 | -61.4 | -27.1 | 0 | 0 | 0 | 112.3 | R326 | R326-D328 HydrophobicContact CG-CB 4.26Å; R326-D328 IonicContact CZ-OD2 2.74Å; R326-D328 IonicContact NE-OD2 3.14Å; R326-D328 PolarHBondContact NE-OD2 2.73Å; R326-D328 IonicContact NH2-OD2 2.68Å; R326-D328 PolarHBondContact NH2-OD2 3.13Å; R326-D328 PolarHBondContact O-N 3.32Å |
| 329 | N | 40.4 | Very low | 36.5 | Very low | 90 Ų | 90 | 110.6 Ų | 110.6 | 48% | 0.481 | 59% | 0.588 | S | S | . | * | G | 310 helix | trans | -81.9 | -14.9 | 174.9 | -59 | -7.8 | 0 | 0 | 0 | 112.5 | L325 R326 K327 F333 | L325-N329 HydrophobicContact CD2-CB 4.38Å; R326-N329 WeakPolarHBondContact O-CB 3.15Å; R326-N329 PolarHBondContact O-N 3.46Å; K327-N329 PolarHBondContact O-N 2.88Å; N329-F333 WeakPolarHBondContact O-CD2 3.01Å |
| 330 | L | 40.6 | Very low | 36.1 | Very low | 25 Ų | 25 | 115.2 Ų | 115.2 | 13% | 0.131 | 61% | 0.607 | C | S | . | * | G | 310 helix | trans | -77.7 | -29.9 | 177.7 | -105.8 | 75.4 | 0 | 0 | 0 | 112.9 | K327 L332 F333 I363 | K327-L330 HydrophobicContact CG-CD2 4.38Å; K327-L330 VanDerWaalsContact O-CB 3.31Å; K327-L330 WeakPolarHBondContact O-CB 3.25Å; K327-L330 PolarHBondContact O-N 3.36Å; L330-L332 PolarHBondContact O-N 3.32Å; L330-L332 VanDerWaalsContact O-N 3.08Å; L330-F333 PolarHBondContact O-N 3.12Å; L330-I363 HydrophobicContact CD1-CB 4.39Å; L330-I363 HydrophobicContact CD1-CD1 3.8Å; L330-I363 HydrophobicContact CD1-CG1 4.01Å; L330-I363 HydrophobicContact CD2-CD1 3.68Å; L330-I363 HydrophobicContact CD2-CG1 3.94Å; L330-I363 HydrophobicContact CG-CD1 3.57Å; L330-I363 HydrophobicContact CG-CG1 4.15Å |
| 331 | K | 40.7 | Very low | 36.3 | Very low | 155 Ų | 155 | 117.8 Ų | 117.8 | 67% | 0.674 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -66.5 | -9.4 | -179.1 | -71.3 | -179.1 | 179.1 | 171.6 | 0 | 113.7 | ||
| 332 | L | 40.6 | Very low | 36.1 | Very low | 156 Ų | 156 | 121.9 Ų | 121.9 | 82% | 0.817 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -81.7 | -18.3 | 169.7 | -115.5 | 75.8 | 0 | 0 | 0 | 114.1 | L330 | L330-L332 PolarHBondContact O-N 3.32Å; L330-L332 VanDerWaalsContact O-N 3.08Å |
| 333 | F | 35.7 | Very low | 35.7 | Very low | 163 Ų | 163 | 126.5 Ų | 126.5 | 72% | 0.715 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | -27.6 | -174.3 | -69.8 | -83.3 | 0 | 0 | 0 | 113.9 | N329 L330 | N329-F333 WeakPolarHBondContact O-CD2 3.01Å; L330-F333 PolarHBondContact O-N 3.12Å |
| 334 | N | 34.6 | Very low | 35.4 | Very low | 117 Ų | 117 | 125.8 Ų | 125.8 | 63% | 0.626 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -97.3 | -1.9 | -170 | -71.3 | 1.5 | 0 | 0 | 0 | 115.6 | G336 | N334-G336 VanDerWaalsContact C-N 3.25Å; N334-G336 PolarHBondContact O-N 2.91Å |
| 335 | N | 32.7 | Very low | 35.1 | Very low | 154 Ų | 154 | 126 Ų | 126 | 82% | 0.824 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -91.4 | 38.6 | 178.8 | -75.1 | -19.8 | 0 | 0 | 0 | 112.7 | ||
| 336 | G | 30.6 | Very low | 34.8 | Very low | 45 Ų | 45 | 129.1 Ų | 129.1 | 46% | 0.464 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -124.5 | 7.6 | -167.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | N334 | N334-G336 VanDerWaalsContact C-N 3.25Å; N334-G336 PolarHBondContact O-N 2.91Å |
| 337 | S | 32 | Very low | 34.9 | Very low | 97 Ų | 97 | 128.2 Ų | 128.2 | 68% | 0.678 | 67% | 0.674 | S | S | * | * | trans | -154.4 | 116.9 | 167.2 | -178.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 338 | D | 34.1 | Very low | 35.1 | Very low | 151 Ų | 151 | 128.4 Ų | 128.4 | 81% | 0.807 | 69% | 0.686 | S | S | * | * | 177.2 | 97.9 | 123.1 | -89 | 1.1 | 0 | 0 | 0 | 109.7 | |||||
| 339 | N | 32.8 | Very low | 34.9 | Very low | 154 Ų | 154 | 130.7 Ų | 130.7 | 82% | 0.824 | 70% | 0.698 | S | S | * | * | trans | -79.6 | 118.3 | 162.2 | -81.3 | -52.5 | 0 | 0 | 0 | 108.6 | ||||
| 340 | N | 29.6 | Very low | 35 | Very low | 136 Ų | 136 | 134 Ų | 134 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | trans | 45.3 | 102 | 148.9 | -51.4 | -34.8 | 0 | 0 | 0 | 117.5 | ||||
| 341 | N | 34.6 | Very low | 35 | Very low | 173 Ų | 173 | 138.6 Ų | 138.6 | 93% | 0.925 | 74% | 0.735 | S | S | * | * | trans | -149.5 | 106.3 | 130.6 | -96.8 | -37.9 | 0 | 0 | 0 | 112.2 | ||||
| 342 | E | 30.5 | Very low | 35.1 | Very low | 175 Ų | 175 | 137.8 Ų | 137.8 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | -67.1 | 123.6 | 165.2 | 172.2 | -178.7 | -152.3 | 0 | 0 | 110.1 | ||||
| 343 | Y | 31.4 | Very low | 35 | Very low | 228 Ų | 228 | 137.5 Ų | 137.5 | 89% | 0.894 | 74% | 0.738 | S | S | * | * | trans | 173.8 | 84.3 | 154.8 | -98.7 | -67.8 | 0 | 0 | 0 | 107.4 | ||||
| 344 | A | 30.5 | Very low | 35.2 | Very low | 81 Ų | 81 | 138.4 Ų | 138.4 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | 77.5 | 132.6 | 80.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 345 | N | 32.5 | Very low | 35.1 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | 82.7 | 93.7 | 162.5 | -67.1 | -26.6 | 0 | 0 | 0 | 121 | ||||
| 346 | N | 32.4 | Very low | 35.1 | Very low | 127 Ų | 127 | 143.6 Ų | 143.6 | 68% | 0.679 | 76% | 0.76 | S | S | * | * | 63.2 | 137.9 | 103.2 | -61.6 | -11.2 | 0 | 0 | 0 | 121.7 | |||||
| 347 | N | 37.2 | Very low | 35.2 | Very low | 154 Ų | 154 | 150.7 Ų | 150.7 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | 77.4 | 138.4 | 157.3 | -56.1 | -17.4 | 0 | 0 | 0 | 116 | ||||
| 348 | S | 41.5 | Very low | 35.3 | Very low | 91 Ų | 91 | 155.2 Ų | 155.2 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | cis | -174.9 | 147.9 | -6.3 | 46.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 349 | N | 38.5 | Very low | 35.5 | Very low | 136 Ų | 136 | 156.4 Ų | 156.4 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | 70.6 | 152.3 | 147.6 | -61.3 | 1.1 | 0 | 0 | 0 | 121 | ||||
| 350 | H | 42 | Very low | 35.7 | Very low | 160 Ų | 160 | 154.7 Ų | 154.7 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | 73.1 | 140.3 | 171.1 | -60.9 | -55.7 | 0 | 0 | 0 | 116.9 | ||||
| 351 | D | 40.5 | Very low | 36.2 | Very low | 121 Ų | 121 | 156.8 Ų | 156.8 | 65% | 0.647 | 79% | 0.785 | S | S | * | * | cis | -177 | 168.6 | -32.8 | -104.7 | -8.8 | 0 | 0 | 0 | 105.1 | ||||
| 352 | D | 42.9 | Very low | 36.2 | Very low | 139 Ų | 139 | 150.2 Ų | 150.2 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | trans | 70.2 | 101.2 | 164.3 | -50.6 | -25.8 | 0 | 0 | 0 | 118.1 | ||||
| 353 | D | 37.7 | Very low | 36.7 | Very low | 149 Ų | 149 | 145.5 Ų | 145.5 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | 41.3 | 112.3 | 128.5 | -53.8 | -16.5 | 0 | 0 | 0 | 120.8 | |||||
| 354 | E | 40.3 | Very low | 37.1 | Very low | 182 Ų | 182 | 138.6 Ų | 138.6 | 85% | 0.85 | 72% | 0.72 | S | S | * | * | -172.5 | 137.5 | 109.7 | -99.6 | 170.9 | -173.6 | 0 | 0 | 110.7 | E356 | E354-E356 PolarHBondContact O-N 3.21Š| |||
| 355 | E | 32 | Very low | 37.4 | Very low | 205 Ų | 205 | 138.7 Ų | 138.7 | 96% | 0.958 | 71% | 0.709 | S | S | * | * | trans | -83.4 | 94.4 | 179.2 | -68.5 | -179.1 | 148.1 | 0 | 0 | 110.6 | ||||
| 356 | E | 33.9 | Very low | 37.4 | Very low | 176 Ų | 176 | 137 Ų | 137 | 82% | 0.822 | 71% | 0.706 | S | S | * | * | trans | -102.2 | 126.7 | 165.9 | -70.4 | -162.5 | 145.9 | 0 | 0 | 111.1 | E354 E358 | E354-E356 PolarHBondContact O-N 3.21Å; E356-E358 PolarHBondContact O-N 3.31Å | ||
| 357 | E | 33.3 | Very low | 37.6 | Very low | 194 Ų | 194 | 134 Ų | 134 | 91% | 0.907 | 69% | 0.693 | S | S | * | * | trans | -69.6 | 108.7 | 177.6 | -64.1 | -176.9 | 141.1 | 0 | 0 | 110.4 | E359 | E357-E359 PolarHBondContact O-N 3.42Š| ||
| 358 | E | 33.7 | Very low | 37.5 | Very low | 191 Ų | 191 | 132.5 Ų | 132.5 | 89% | 0.893 | 68% | 0.684 | S | S | * | * | trans | -63.5 | 97 | 174.8 | -71.4 | -170.4 | 159.3 | 0 | 0 | 111.3 | E356 E360 | E356-E358 PolarHBondContact O-N 3.31Å; E358-E360 PolarHBondContact O-N 2.6Å; E358-E360 VanDerWaalsContact O-N 3.07Å | ||
| 359 | E | 37.6 | Very low | 37.1 | Very low | 176 Ų | 176 | 131.9 Ų | 131.9 | 82% | 0.822 | 68% | 0.679 | S | S | * | * | trans | -59.9 | 112 | 173.1 | -77.8 | -156.6 | 132.6 | 0 | 0 | 111 | E357 E361 | E357-E359 PolarHBondContact O-N 3.42Å; E359-E361 PolarHBondContact O-N 2.7Å | ||
| 360 | E | 37.4 | Very low | 36.8 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 55% | 0.551 | 67% | 0.67 | S | S | * | * | trans | -62.2 | 108 | -175.2 | -60.7 | -161 | 125.5 | 0 | 0 | 113.3 | K327 E358 G362 | K327-E360 HydrophobicContact CD-CB 4.47Å; K327-E360 HydrophobicContact CD-CG 4.45Å; K327-E360 VanDerWaalsContact CD-OE1 3.23Å; K327-E360 WeakPolarHBondContact CD-OE1 3.18Å; K327-E360 WeakPolarHBondContact CE-OE1 3.1Å; K327-E360 IonicContact NZ-OE1 3.32Å; K327-E360 PolarHBondContact NZ-OE1 3.27Å; E358-E360 PolarHBondContact O-N 2.6Å; E358-E360 VanDerWaalsContact O-N 3.07Å; E360-G362 PolarHBondContact O-N 3.49Å | ||
| 361 | E | 39.6 | Very low | 36.4 | Very low | 181 Ų | 181 | 127.4 Ų | 127.4 | 85% | 0.846 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 125.4 | 169.7 | -75.2 | -162.8 | 134.5 | 0 | 0 | 111.4 | E359 | E359-E361 PolarHBondContact O-N 2.7Š|
| 362 | G | 35.8 | Very low | 36 | Very low | 34 Ų | 34 | 126.1 Ų | 126.1 | 35% | 0.351 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -97.8 | 141.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E360 | E360-G362 PolarHBondContact O-N 3.49Š|
| 363 | I | 40.7 | Very low | 35.6 | Very low | 77 Ų | 77 | 122 Ų | 122 | 40% | 0.395 | 64% | 0.641 | S | S | . | * | P | Polyproline II helix | trans | -67.4 | 133.6 | 179.7 | -63.9 | 179 | 0 | 0 | 0 | 110.6 | L325 L330 | L325-I363 WeakPolarHBondContact CD1-O 3.32Å; L330-I363 HydrophobicContact CD1-CB 4.39Å; L330-I363 HydrophobicContact CD1-CD1 3.8Å; L330-I363 HydrophobicContact CD1-CG1 4.01Å; L330-I363 HydrophobicContact CD2-CD1 3.68Å; L330-I363 HydrophobicContact CD2-CG1 3.94Å; L330-I363 HydrophobicContact CG-CD1 3.57Å; L330-I363 HydrophobicContact CG-CG1 4.15Å |
| 364 | P | 38.7 | Very low | 35.4 | Very low | 83 Ų | 83 | 118 Ų | 118 | 54% | 0.539 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -71.2 | 146.3 | 176.1 | 28.9 | -35.3 | 0 | 0 | 0 | 112.6 | ||
| 365 | L | 37.2 | Very low | 35.1 | Very low | 82 Ų | 82 | 116.8 Ų | 116.8 | 43% | 0.429 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -65.3 | 138.2 | 174.8 | -70.8 | 165.9 | 0 | 0 | 0 | 111.4 | L323 L325 | L323-L365 HydrophobicContact CB-CD1 4.5Å; L323-L365 HydrophobicContact CD1-CD1 4.35Å; L325-L365 HydrophobicContact CD1-CD2 4.08Å |
| 366 | P | 33.6 | Very low | 35.3 | Very low | 102 Ų | 102 | 115.4 Ų | 115.4 | 66% | 0.662 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 133.8 | 177.8 | 29.2 | -33.8 | 0 | 0 | 0 | 111.4 | I368 | P366-I368 PolarHBondContact O-N 3.46Š|
| 367 | P | 35.6 | Very low | 35.3 | Very low | 62 Ų | 62 | 110.2 Ų | 110.2 | 40% | 0.403 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -75.8 | 124.9 | 176.7 | 31.8 | -36.5 | 0 | 0 | 0 | 111.5 | S369 | P367-S369 PolarHBondContact O-N 2.82Š|
| 368 | I | 34.8 | Very low | 35.4 | Very low | 124 Ų | 124 | 107.5 Ų | 107.5 | 64% | 0.636 | 58% | 0.584 | S | S | * | * | trans | -83.1 | 95.7 | 166.1 | -59 | 179 | 0 | 0 | 0 | 108.4 | P366 L386 | P366-I368 PolarHBondContact O-N 3.46Å; I368-L386 HydrophobicContact CG2-CD1 4.09Å | ||
| 369 | S | 34.3 | Very low | 35.3 | Very low | 78 Ų | 78 | 104.8 Ų | 104.8 | 55% | 0.545 | 58% | 0.575 | S | S | . | * | trans | -111.1 | 108.2 | 173.6 | -61.7 | 0 | 0 | 0 | 0 | 109.7 | P367 | P367-S369 PolarHBondContact O-N 2.82Š| ||
| 370 | M | 31.9 | Very low | 34.8 | Very low | 108 Ų | 108 | 103.9 Ų | 103.9 | 53% | 0.532 | 57% | 0.566 | S | S | . | * | trans | -108.3 | 117.9 | 178.2 | -174.1 | 165.4 | 159.7 | 0 | 0 | 110.2 | L372 L386 | M370-L372 HydrophobicContact CE-CD1 4.25Å; M370-L372 HydrophobicContact CE-CD2 3.67Å; M370-L372 HydrophobicContact CE-CG 3.93Å; M370-L386 HydrophobicContact CB-CD1 4.46Å | ||
| 371 | I | 33.8 | Very low | 34.6 | Very low | 94 Ų | 94 | 108 Ų | 108 | 48% | 0.482 | 58% | 0.576 | S | S | . | * | trans | -90.1 | 115.3 | 175 | -58.1 | 179.9 | 0 | 0 | 0 | 108 | I304 W381 | I304-I371 HydrophobicContact CD1-CD1 3.59Å; I304-I371 HydrophobicContact CG1-CD1 4.47Å; I371-W381 HydrophobicContact CG2-CE3 4Å; I371-W381 HydrophobicContact CG2-CZ3 4.13Å | ||
| 372 | L | 32.1 | Very low | 34.1 | Very low | 94 Ų | 94 | 104 Ų | 104 | 49% | 0.492 | 56% | 0.558 | S | S | . | * | B | Isolated β-bridge | trans | -104.9 | 113.6 | 171.8 | -79.8 | 169.2 | 0 | 0 | 0 | 109.3 | M370 | M370-L372 HydrophobicContact CE-CD1 4.25Å; M370-L372 HydrophobicContact CE-CD2 3.67Å; M370-L372 HydrophobicContact CE-CG 3.93Å |
| 373 | G | 34 | Very low | 33.9 | Very low | 53 Ų | 53 | 111.6 Ų | 111.6 | 55% | 0.546 | 58% | 0.576 | S | S | . | * | trans | -132.2 | 130.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 374 | T | 33.6 | Very low | 33.4 | Very low | 64 Ų | 64 | 111.2 Ų | 111.2 | 39% | 0.393 | 58% | 0.576 | S | S | . | * | trans | -111.8 | 158.2 | 173.6 | 68.3 | 0 | 0 | 0 | 0 | 109.9 | Q376 L377 | T374-Q376 PolarHBondContact O-N 2.94Å; T374-Q376 PolarHBondContact OG1-N 3.32Å; T374-L377 HydrophobicContact CG2-CD1 4.39Å; T374-L377 PolarHBondContact O-N 2.96Å; T374-L377 WeakPolarHBondContact OG1-CD1 3.5Å; T374-L377 WeakPolarHBondContact OG1-CG 3.35Å; T374-L377 PolarHBondContact OG1-N 2.9Å | ||
| 375 | D | 34.2 | Very low | 32.9 | Very low | 156 Ų | 156 | 113.4 Ų | 113.4 | 83% | 0.834 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -56.8 | -27.3 | 168.5 | 55.3 | -17.7 | 0 | 0 | 0 | 113 | L377 | D375-L377 VanDerWaalsContact C-N 3.3Å; D375-L377 PolarHBondContact O-N 2.92Å |
| 376 | Q | 36.1 | Very low | 32.7 | Very low | 176 Ų | 176 | 114.1 Ų | 114.1 | 82% | 0.822 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -77.9 | -6.8 | 173.9 | -58.2 | -165.2 | -6.7 | 0 | 0 | 114.8 | T374 | T374-Q376 PolarHBondContact O-N 2.94Å; T374-Q376 PolarHBondContact OG1-N 3.32Å |
| 377 | L | 34.2 | Very low | 32.3 | Very low | 68 Ų | 68 | 111.5 Ų | 111.5 | 36% | 0.356 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -107.6 | 15.2 | -175.5 | -76.9 | 168.8 | 0 | 0 | 0 | 114.1 | T374 D375 N379 Y380 | T374-L377 HydrophobicContact CG2-CD1 4.39Å; T374-L377 PolarHBondContact O-N 2.96Å; T374-L377 WeakPolarHBondContact OG1-CD1 3.5Å; T374-L377 WeakPolarHBondContact OG1-CG 3.35Å; T374-L377 PolarHBondContact OG1-N 2.9Å; D375-L377 VanDerWaalsContact C-N 3.3Å; D375-L377 PolarHBondContact O-N 2.92Å; L377-N379 PolarHBondContact O-N 3.13Å; L377-Y380 WeakPolarHBondContact O-CB 3.48Å; L377-Y380 WeakPolarHBondContact O-CD2 3.23Å; L377-Y380 PolarHBondContact O-N 2.85Å |
| 378 | D | 33.6 | Very low | 32 | Very low | 136 Ų | 136 | 113.9 Ų | 113.9 | 73% | 0.727 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 56 | 29.1 | 169.1 | -121.3 | 7.1 | 0 | 0 | 0 | 114.6 | Y380 | D378-Y380 VanDerWaalsContact C-N 3.31Å; D378-Y380 HydrophobicContact CB-CD2 4.19Å; D378-Y380 PolarHBondContact O-N 3.47Å |
| 379 | N | 32.9 | Very low | 31.8 | Very low | 134 Ų | 134 | 114.9 Ų | 114.9 | 72% | 0.717 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.4 | 25.3 | -171.2 | -47.6 | -73.8 | 0 | 0 | 0 | 115.3 | L377 W381 | L377-N379 PolarHBondContact O-N 3.13Å; N379-W381 VanDerWaalsContact O-CD1 3.24Å; N379-W381 PolarHBondContact O-N 2.94Å; N379-W381 VanDerWaalsContact O-N 3.17Å; N379-W381 PolarHBondContact O-NE1 3.31Å |
| 380 | Y | 26.8 | Very low | 31.5 | Very low | 158 Ų | 158 | 118.1 Ų | 118.1 | 62% | 0.62 | 60% | 0.598 | S | S | * | * | trans | -71.7 | 107.1 | 171.6 | -87.3 | -92.3 | 0 | 0 | 0 | 111.7 | L377 D378 H382 | L377-Y380 WeakPolarHBondContact O-CB 3.48Å; L377-Y380 WeakPolarHBondContact O-CD2 3.23Å; L377-Y380 PolarHBondContact O-N 2.85Å; D378-Y380 VanDerWaalsContact C-N 3.31Å; D378-Y380 HydrophobicContact CB-CD2 4.19Å; D378-Y380 PolarHBondContact O-N 3.47Å; Y380-H382 PolarHBondContact O-N 2.79Å; Y380-H382 VanDerWaalsContact O-N 3.16Å | ||
| 381 | W | 32.6 | Very low | 31.2 | Very low | 203 Ų | 203 | 118.1 Ų | 118.1 | 77% | 0.769 | 60% | 0.599 | S | S | * | * | trans | -70.5 | 102.6 | 174.2 | -52.2 | 93.4 | 0 | 0 | 0 | 110.8 | I371 N379 | I371-W381 HydrophobicContact CG2-CE3 4Å; I371-W381 HydrophobicContact CG2-CZ3 4.13Å; N379-W381 VanDerWaalsContact O-CD1 3.24Å; N379-W381 PolarHBondContact O-N 2.94Å; N379-W381 VanDerWaalsContact O-N 3.17Å; N379-W381 PolarHBondContact O-NE1 3.31Å | ||
| 382 | H | 30.3 | Very low | 30.9 | Very low | 99 Ų | 99 | 121 Ų | 121 | 46% | 0.458 | 61% | 0.61 | S | S | . | * | B | Isolated β-bridge | trans | -85.2 | 113.8 | 167.9 | -72.1 | 175.1 | 0 | 0 | 0 | 110.3 | Y380 V384 | Y380-H382 PolarHBondContact O-N 2.79Å; Y380-H382 VanDerWaalsContact O-N 3.16Å; H382-V384 VanDerWaalsContact C-N 3.26Å; H382-V384 HydrophobicContact CB-CG2 4.43Å; H382-V384 PolarHBondContact O-N 3.23Å |
| 383 | R | 31.2 | Very low | 30.5 | Very low | 193 Ų | 193 | 122 Ų | 122 | 73% | 0.728 | 62% | 0.62 | S | S | * | * | trans | -70.9 | 84.7 | 166.7 | 179.8 | -174.7 | 168.8 | -176.7 | -1.1 | 108.6 | L385 | R383-L385 HydrophobicContact CG-CG 4.36Å; R383-L385 PolarHBondContact O-N 3.46Å | ||
| 384 | V | 30.1 | Very low | 30.2 | Very low | 68 Ų | 68 | 125.7 Ų | 125.7 | 41% | 0.412 | 63% | 0.628 | S | S | . | * | trans | -74.7 | 94.5 | 168.7 | -175.4 | 0 | 0 | 0 | 0 | 107.8 | H382 L386 | H382-V384 VanDerWaalsContact C-N 3.26Å; H382-V384 HydrophobicContact CB-CG2 4.43Å; H382-V384 PolarHBondContact O-N 3.23Å; V384-L386 VanDerWaalsContact C-N 3.32Å; V384-L386 HydrophobicContact CG1-CG 4.39Å; V384-L386 PolarHBondContact O-N 2.61Å | ||
| 385 | L | 28.8 | Very low | 29.7 | Very low | 129 Ų | 129 | 128.9 Ų | 128.9 | 68% | 0.675 | 65% | 0.647 | S | S | * | * | trans | -69.3 | 95.5 | 161.1 | -78.8 | 165.7 | 0 | 0 | 0 | 107.5 | R383 G387 | R383-L385 HydrophobicContact CG-CG 4.36Å; R383-L385 PolarHBondContact O-N 3.46Å; L385-G387 PolarHBondContact O-N 2.85Å | ||
| 386 | L | 31.2 | Very low | 29.3 | Very low | 97 Ų | 97 | 126.8 Ų | 126.8 | 51% | 0.508 | 64% | 0.64 | S | S | . | * | trans | -66.6 | 83.3 | 157.2 | -92.2 | 154.7 | 0 | 0 | 0 | 107.5 | I368 M370 V384 I388 | I368-L386 HydrophobicContact CG2-CD1 4.09Å; M370-L386 HydrophobicContact CB-CD1 4.46Å; V384-L386 VanDerWaalsContact C-N 3.32Å; V384-L386 HydrophobicContact CG1-CG 4.39Å; V384-L386 PolarHBondContact O-N 2.61Å; L386-I388 PolarHBondContact O-N 3.23Å | ||
| 387 | G | 26.7 | Very low | 28.7 | Very low | 47 Ų | 47 | 125.4 Ų | 125.4 | 49% | 0.485 | 64% | 0.643 | S | S | . | * | trans | -59.2 | 126.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | L385 I389 | L385-G387 PolarHBondContact O-N 2.85Å; G387-I389 VanDerWaalsContact C-N 3.26Å; G387-I389 PolarHBondContact O-N 2.85Å | ||
| 388 | I | 29.4 | Very low | 28.4 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 57% | 0.574 | 65% | 0.646 | S | S | * | * | trans | -71.7 | 93.5 | 164.6 | -58.7 | 172.9 | 0 | 0 | 0 | 104.9 | L386 E390 I391 | L386-I388 PolarHBondContact O-N 3.23Å; I388-E390 VanDerWaalsContact C-N 3.31Å; I388-I391 HydrophobicContact CG2-CD1 4.28Å; I388-I391 HydrophobicContact CG2-CG1 3.63Å | ||
| 389 | I | 29.6 | Very low | 28 | Very low | 146 Ų | 146 | 123.9 Ų | 123.9 | 75% | 0.749 | 64% | 0.637 | S | S | * | * | trans | -75.3 | -27.2 | -176 | -63.8 | 167.2 | 0 | 0 | 0 | 110.4 | P113 G387 | P113-I389 HydrophobicContact CG-CD1 4.4Å; G387-I389 VanDerWaalsContact C-N 3.26Å; G387-I389 PolarHBondContact O-N 2.85Å | ||
| 390 | E | 28.6 | Very low | 27.9 | Very low | 146 Ų | 146 | 126.1 Ų | 126.1 | 68% | 0.682 | 64% | 0.644 | S | S | * | * | trans | -153.7 | 147.4 | 176 | -168.2 | 170.7 | -171.9 | 0 | 0 | 110.9 | I388 | I388-E390 VanDerWaalsContact C-N 3.31Š| ||
| 391 | I | 26.1 | Very low | 28.2 | Very low | 108 Ų | 108 | 125.3 Ų | 125.3 | 55% | 0.554 | 65% | 0.65 | S | S | * | * | trans | -115.7 | 104.5 | 163.1 | -59.3 | 176.7 | 0 | 0 | 0 | 106.5 | I388 V393 | I388-I391 HydrophobicContact CG2-CD1 4.28Å; I388-I391 HydrophobicContact CG2-CG1 3.63Å; I391-V393 HydrophobicContact CG2-CG2 3.96Å; I391-V393 PolarHBondContact O-N 3.41Å | ||
| 392 | Q | 26.3 | Very low | 28.2 | Very low | 153 Ų | 153 | 121 Ų | 121 | 72% | 0.715 | 64% | 0.642 | S | S | * | * | trans | -71 | 119.7 | 166.7 | -78.4 | -176.3 | -37.8 | 0 | 0 | 109.1 | ||||
| 393 | V | 24.9 | Very low | 28.2 | Very low | 115 Ų | 115 | 123.5 Ų | 123.5 | 70% | 0.697 | 65% | 0.652 | S | S | * | * | trans | -105.2 | 86.5 | 171.8 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | I391 T395 | I391-V393 HydrophobicContact CG2-CG2 3.96Å; I391-V393 PolarHBondContact O-N 3.41Å; V393-T395 PolarHBondContact O-N 3.12Å | ||
| 394 | D | 26.2 | Very low | 28.1 | Very low | 132 Ų | 132 | 118 Ų | 118 | 71% | 0.706 | 66% | 0.655 | S | S | * | * | trans | -68 | 115.9 | 169 | -78.6 | -31.3 | 0 | 0 | 0 | 109.8 | V396 | D394-V396 VanDerWaalsContact C-N 3.31Å; D394-V396 HydrophobicContact CB-CG2 4.26Å; D394-V396 PolarHBondContact O-N 3.15Å | ||
| 395 | T | 24 | Very low | 28 | Very low | 131 Ų | 131 | 124.8 Ų | 124.8 | 80% | 0.804 | 68% | 0.679 | S | S | * | * | trans | -81.1 | 75 | 178 | 42.1 | 0 | 0 | 0 | 0 | 111.3 | V393 | V393-T395 PolarHBondContact O-N 3.12Š| ||
| 396 | V | 25.2 | Very low | 28 | Very low | 112 Ų | 112 | 124.8 Ų | 124.8 | 68% | 0.679 | 69% | 0.688 | S | S | * | * | trans | -80.9 | 120.6 | 175.3 | -168.6 | 0 | 0 | 0 | 0 | 110.4 | D394 V398 | D394-V396 VanDerWaalsContact C-N 3.31Å; D394-V396 HydrophobicContact CB-CG2 4.26Å; D394-V396 PolarHBondContact O-N 3.15Å; V396-V398 HydrophobicContact CB-CG2 4.27Å; V396-V398 HydrophobicContact CG1-CG2 3.79Å; V396-V398 PolarHBondContact O-N 2.65Å | ||
| 397 | V | 24.2 | Very low | 27.9 | Very low | 147 Ų | 147 | 123.9 Ų | 123.9 | 89% | 0.891 | 70% | 0.702 | S | S | * | * | trans | -80 | 101.2 | 170.9 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 398 | V | 27.1 | Very low | 28 | Very low | 70 Ų | 70 | 131.9 Ų | 131.9 | 42% | 0.424 | 72% | 0.72 | S | S | . | * | trans | -101.6 | 139.5 | 178.6 | -173.1 | 0 | 0 | 0 | 0 | 110.3 | V396 D402 F403 | V396-V398 HydrophobicContact CB-CG2 4.27Å; V396-V398 HydrophobicContact CG1-CG2 3.79Å; V396-V398 PolarHBondContact O-N 2.65Å; V398-D402 HydrophobicContact CG1-CB 3.95Å; V398-F403 HydrophobicContact CB-CE2 3.85Å; V398-F403 HydrophobicContact CB-CZ 3.97Å; V398-F403 HydrophobicContact CG1-CD2 4.29Å; V398-F403 HydrophobicContact CG1-CE2 3.46Å; V398-F403 VanDerWaalsContact CG1-CE2 3.46Å; V398-F403 HydrophobicContact CG1-CZ 3.68Å; V398-F403 HydrophobicContact CG2-CZ 4.35Å | ||
| 399 | N | 26.5 | Very low | 28 | Very low | 101 Ų | 101 | 135.6 Ų | 135.6 | 54% | 0.54 | 76% | 0.755 | S | S | . | * | trans | -75.8 | 145.8 | -179 | -159.1 | -26.6 | 0 | 0 | 0 | 110.6 | N401 D402 | N399-N401 PolarHBondContact O-N 3.28Å; N399-D402 VanDerWaalsContact CB-OD2 3.27Å; N399-D402 WeakPolarHBondContact CB-OD2 3.49Å; N399-D402 PolarHBondContact N-OD2 3.12Å; N399-D402 PolarHBondContact O-N 2.97Å | ||
| 400 | Q | 29.4 | Very low | 28 | Very low | 182 Ų | 182 | 135.1 Ų | 135.1 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -12.3 | -171.9 | -140.6 | 172.5 | 14.8 | 0 | 0 | 113.8 | ||
| 401 | N | 33.3 | Very low | 27.9 | Very low | 141 Ų | 141 | 134.5 Ų | 134.5 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -10.1 | 179.9 | -60.7 | -32.9 | 0 | 0 | 0 | 114 | N399 | N399-N401 PolarHBondContact O-N 3.28Š|
| 402 | D | 32.7 | Very low | 28 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 60% | 0.599 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -88 | -3.6 | -171.7 | -60.5 | -32.9 | 0 | 0 | 0 | 113.5 | V398 N399 | V398-D402 HydrophobicContact CG1-CB 3.95Å; N399-D402 VanDerWaalsContact CB-OD2 3.27Å; N399-D402 WeakPolarHBondContact CB-OD2 3.49Å; N399-D402 PolarHBondContact N-OD2 3.12Å; N399-D402 PolarHBondContact O-N 2.97Å |
| 403 | F | 30.4 | Very low | 28.1 | Very low | 151 Ų | 151 | 134.9 Ų | 134.9 | 66% | 0.662 | 77% | 0.774 | S | S | * | * | trans | -94.4 | 108 | 179.7 | -69.3 | -77.7 | 0 | 0 | 0 | 112.2 | V398 | V398-F403 HydrophobicContact CB-CE2 3.85Å; V398-F403 HydrophobicContact CB-CZ 3.97Å; V398-F403 HydrophobicContact CG1-CD2 4.29Å; V398-F403 HydrophobicContact CG1-CE2 3.46Å; V398-F403 VanDerWaalsContact CG1-CE2 3.46Å; V398-F403 HydrophobicContact CG1-CZ 3.68Å; V398-F403 HydrophobicContact CG2-CZ 4.35Å | ||
| 404 | G | 29.3 | Very low | 28.3 | Very low | 77 Ų | 77 | 136.2 Ų | 136.2 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | -64.8 | 143.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 405 | K | 28.6 | Very low | 28.5 | Very low | 211 Ų | 211 | 136.5 Ų | 136.5 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | trans | -85.9 | 118.2 | -177.6 | -61.3 | -179.5 | 179.2 | -179.5 | 0 | 111.7 | ||||
| 406 | C | 28.2 | Very low | 28.8 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | trans | -120.9 | 117.3 | 162.4 | -68 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 407 | G | 30 | Very low | 29.1 | Very low | 78 Ų | 78 | 138.8 Ų | 138.8 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -104 | 150.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 408 | Y | 28.4 | Very low | 29.5 | Very low | 215 Ų | 215 | 138.1 Ų | 138.1 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -85.7 | 153.5 | 175.3 | -73.2 | -90.5 | 0 | 0 | 0 | 111.5 | ||||
| 409 | S | 29.9 | Very low | 29.7 | Very low | 190 Ų | 190 | 144.3 Ų | 144.3 | 100% | 1.329 | 82% | 0.815 | S | S | * | * | trans | -136.3 | 0 | 178.5 | 63.3 | 0 | 0 | 0 | 0 | 110.7 |
Retrieved 409 of 409 residues in 290 ms
(Link to these results)