| 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 | 45.5 | Very low | 57 | Low | 232 Ų | 232 | 125.5 Ų | 125.5 | 100% | 1.143 | 66% | 0.655 | S | S | * | * | 0 | 122.8 | 0 | -81.8 | -177.6 | 161.6 | 0 | 0 | 107.6 | |||||
| 2 | D | 52.6 | Low | 56.8 | Low | 118 Ų | 118 | 124.1 Ų | 124.1 | 63% | 0.631 | 65% | 0.648 | S | S | * | * | trans | -73.2 | 140.6 | -167.8 | -141.9 | -34.6 | 0 | 0 | 0 | 111.4 | R4 V5 T6 | D2-R4 PolarHBondContact O-N 3.48Å; D2-V5 HydrophobicContact CB-CG2 4.27Å; D2-V5 WeakPolarHBondContact O-CB 3.48Å; D2-V5 PolarHBondContact O-N 3.39Å; D2-T6 PolarHBondContact O-N 3.01Å | ||
| 3 | L | 52.1 | Low | 57.5 | Low | 141 Ų | 141 | 121.1 Ų | 121.1 | 74% | 0.738 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -58.7 | -24.6 | -172.9 | -138.6 | 85.2 | 0 | 0 | 0 | 112.2 | T6 S7 | L3-T6 VanDerWaalsContact C-OG1 3.25Å; L3-T6 VanDerWaalsContact CA-OG1 3.31Å; L3-T6 WeakPolarHBondContact CA-OG1 3.4Å; L3-T6 PolarHBondContact O-OG1 3.43Å; L3-S7 PolarHBondContact O-N 3.45Å; L3-S7 VanDerWaalsContact O-N 3.16Å; L3-S7 PolarHBondContact O-OG 3.1Å |
| 4 | R | 51.4 | Low | 57.8 | Low | 206 Ų | 206 | 116.6 Ų | 116.6 | 78% | 0.777 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -72.4 | -32 | 177.1 | -61.2 | -167.8 | -178.5 | -153.9 | 1.4 | 113.1 | D2 S7 V8 | D2-R4 PolarHBondContact O-N 3.48Å; R4-S7 PolarHBondContact O-N 3.49Å; R4-V8 WeakPolarHBondContact O-CG2 3.36Å; R4-V8 PolarHBondContact O-N 3.44Å; R4-V8 VanDerWaalsContact O-N 3.15Å |
| 5 | V | 57 | Low | 57.3 | Low | 94 Ų | 94 | 115.9 Ų | 115.9 | 57% | 0.57 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -71.4 | -39 | 175.9 | -178.2 | 0 | 0 | 0 | 0 | 110 | D2 S7 V8 L9 | D2-V5 HydrophobicContact CB-CG2 4.27Å; D2-V5 WeakPolarHBondContact O-CB 3.48Å; D2-V5 PolarHBondContact O-N 3.39Å; V5-S7 PolarHBondContact O-N 3.3Å; V5-V8 PolarHBondContact O-N 3.47Å; V5-L9 WeakPolarHBondContact O-CB 3.44Å; V5-L9 PolarHBondContact O-N 3.03Å |
| 6 | T | 62.5 | Low | 57 | Low | 67 Ų | 67 | 112.9 Ų | 112.9 | 41% | 0.411 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -65.2 | -35.8 | 173.5 | 30.7 | 0 | 0 | 0 | 0 | 112.9 | D2 L3 L10 | D2-T6 PolarHBondContact O-N 3.01Å; L3-T6 VanDerWaalsContact C-OG1 3.25Å; L3-T6 VanDerWaalsContact CA-OG1 3.31Å; L3-T6 WeakPolarHBondContact CA-OG1 3.4Å; L3-T6 PolarHBondContact O-OG1 3.43Å; T6-L10 WeakPolarHBondContact O-CB 3.47Å; T6-L10 PolarHBondContact O-N 3.49Å |
| 7 | S | 56.1 | Low | 57 | Low | 76 Ų | 76 | 113 Ų | 113 | 53% | 0.531 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -71 | -36.7 | 176.7 | -65.4 | 0 | 0 | 0 | 0 | 113.2 | L3 R4 V5 L10 L11 | L3-S7 PolarHBondContact O-N 3.45Å; L3-S7 VanDerWaalsContact O-N 3.16Å; L3-S7 PolarHBondContact O-OG 3.1Å; R4-S7 PolarHBondContact O-N 3.49Å; V5-S7 PolarHBondContact O-N 3.3Å; S7-L10 PolarHBondContact O-N 3.44Å; S7-L11 WeakPolarHBondContact O-CB 3.46Å; S7-L11 PolarHBondContact O-N 2.86Å |
| 8 | V | 64.9 | Low | 56.5 | Low | 89 Ų | 89 | 110.9 Ų | 110.9 | 54% | 0.539 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -70.5 | -38.2 | 175 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | R4 V5 L11 L12 | R4-V8 WeakPolarHBondContact O-CG2 3.36Å; R4-V8 PolarHBondContact O-N 3.44Å; R4-V8 VanDerWaalsContact O-N 3.15Å; V5-V8 PolarHBondContact O-N 3.47Å; V8-L11 PolarHBondContact O-N 3.4Å; V8-L12 HydrophobicContact CG1-CD1 4.13Å; V8-L12 WeakPolarHBondContact O-CB 3.35Å; V8-L12 WeakPolarHBondContact O-CG 3.31Å; V8-L12 PolarHBondContact O-N 3.09Å |
| 9 | L | 60.4 | Low | 56.3 | Low | 111 Ų | 111 | 110.3 Ų | 110.3 | 58% | 0.581 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.7 | -41.9 | 174 | -159.8 | 79.6 | 0 | 0 | 0 | 111.6 | V5 L11 L12 V13 | V5-L9 WeakPolarHBondContact O-CB 3.44Å; V5-L9 PolarHBondContact O-N 3.03Å; L9-L11 VanDerWaalsContact C-N 3.35Å; L9-L11 PolarHBondContact O-N 2.81Å; L9-L12 PolarHBondContact O-N 3.43Å; L9-V13 WeakPolarHBondContact O-CB 3.47Å; L9-V13 WeakPolarHBondContact O-CG2 3.44Å; L9-V13 PolarHBondContact O-N 3.5Å |
| 10 | L | 63.4 | Low | 55.8 | Low | 126 Ų | 126 | 110.2 Ų | 110.2 | 66% | 0.66 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.3 | -36.2 | 174.9 | -108.7 | 136.7 | 0 | 0 | 0 | 112.6 | T6 S7 A14 | T6-L10 WeakPolarHBondContact O-CB 3.47Å; T6-L10 PolarHBondContact O-N 3.49Å; S7-L10 PolarHBondContact O-N 3.44Å; L10-A14 VanDerWaalsContact O-CB 3.27Å; L10-A14 WeakPolarHBondContact O-CB 3.3Å; L10-A14 PolarHBondContact O-N 2.96Å |
| 11 | L | 61.3 | Low | 55.3 | Low | 120 Ų | 120 | 113.3 Ų | 113.3 | 63% | 0.628 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.8 | -39.8 | 176.4 | -154.1 | 87.7 | 0 | 0 | 0 | 111.6 | S7 V8 L9 A14 L15 | S7-L11 WeakPolarHBondContact O-CB 3.46Å; S7-L11 PolarHBondContact O-N 2.86Å; V8-L11 PolarHBondContact O-N 3.4Å; L9-L11 VanDerWaalsContact C-N 3.35Å; L9-L11 PolarHBondContact O-N 2.81Å; L11-A14 PolarHBondContact O-N 3.48Å; L11-L15 WeakPolarHBondContact O-CB 3.36Å; L11-L15 WeakPolarHBondContact O-CD1 3.23Å; L11-L15 WeakPolarHBondContact O-CG 3.17Å; L11-L15 PolarHBondContact O-N 3.45Å |
| 12 | L | 54.6 | Low | 55.4 | Low | 109 Ų | 109 | 112.6 Ų | 112.6 | 57% | 0.571 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.6 | -38.1 | 175.6 | -77.7 | 167.8 | 0 | 0 | 0 | 112.4 | V8 L9 L15 A16 | V8-L12 HydrophobicContact CG1-CD1 4.13Å; V8-L12 WeakPolarHBondContact O-CB 3.35Å; V8-L12 WeakPolarHBondContact O-CG 3.31Å; V8-L12 PolarHBondContact O-N 3.09Å; L9-L12 PolarHBondContact O-N 3.43Å; L12-L15 PolarHBondContact O-N 3.45Å; L12-A16 WeakPolarHBondContact O-CB 3.49Å; L12-A16 PolarHBondContact O-N 3.19Å |
| 13 | V | 65.6 | Low | 54.9 | Low | 85 Ų | 85 | 116.7 Ų | 116.7 | 52% | 0.515 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -69 | -39.2 | 174.6 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | L9 A16 V17 | L9-V13 WeakPolarHBondContact O-CB 3.47Å; L9-V13 WeakPolarHBondContact O-CG2 3.44Å; L9-V13 PolarHBondContact O-N 3.5Å; V13-A16 PolarHBondContact O-N 3.17Å; V13-V17 WeakPolarHBondContact O-CG2 3.5Å; V13-V17 PolarHBondContact O-N 3.14Å; V13-V17 VanDerWaalsContact O-N 3.11Å |
| 14 | A | 61.5 | Low | 54.1 | Low | 59 Ų | 59 | 120.8 Ų | 120.8 | 49% | 0.488 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -65.6 | -37.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | L10 L11 V17 A18 | L10-A14 VanDerWaalsContact O-CB 3.27Å; L10-A14 WeakPolarHBondContact O-CB 3.3Å; L10-A14 PolarHBondContact O-N 2.96Å; L11-A14 PolarHBondContact O-N 3.48Å; A14-V17 PolarHBondContact O-N 3.22Å; A14-A18 WeakPolarHBondContact O-CB 3.49Å; A14-A18 PolarHBondContact O-N 3.22Å; A14-A18 VanDerWaalsContact O-N 3.13Å |
| 15 | L | 50.6 | Low | 53.3 | Low | 105 Ų | 105 | 120 Ų | 120 | 55% | 0.55 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -67.3 | -36.7 | 174.1 | -80.2 | 161.3 | 0 | 0 | 0 | 112.4 | L11 L12 V17 A18 T19 | L11-L15 WeakPolarHBondContact O-CB 3.36Å; L11-L15 WeakPolarHBondContact O-CD1 3.23Å; L11-L15 WeakPolarHBondContact O-CG 3.17Å; L11-L15 PolarHBondContact O-N 3.45Å; L12-L15 PolarHBondContact O-N 3.45Å; L15-V17 VanDerWaalsContact C-N 3.34Å; L15-A18 PolarHBondContact O-N 3.16Å; L15-T19 PolarHBondContact O-OG1 3.36Å |
| 16 | A | 52.3 | Low | 52.1 | Low | 69 Ų | 69 | 121.7 Ų | 121.7 | 57% | 0.57 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -68 | -31.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L12 V13 | L12-A16 WeakPolarHBondContact O-CB 3.49Å; L12-A16 PolarHBondContact O-N 3.19Å; V13-A16 PolarHBondContact O-N 3.17Å |
| 17 | V | 57.6 | Low | 50.6 | Low | 114 Ų | 114 | 127 Ų | 127 | 69% | 0.691 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -78.6 | -26.3 | 176.3 | 176.2 | 0 | 0 | 0 | 0 | 112 | V13 A14 L15 | V13-V17 WeakPolarHBondContact O-CG2 3.5Å; V13-V17 PolarHBondContact O-N 3.14Å; V13-V17 VanDerWaalsContact O-N 3.11Å; A14-V17 PolarHBondContact O-N 3.22Å; L15-V17 VanDerWaalsContact C-N 3.34Å |
| 18 | A | 48 | Very low | 49.5 | Very low | 75 Ų | 75 | 132.7 Ų | 132.7 | 62% | 0.62 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -80.6 | -12.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | A14 L15 | A14-A18 WeakPolarHBondContact O-CB 3.49Å; A14-A18 PolarHBondContact O-N 3.22Å; A14-A18 VanDerWaalsContact O-N 3.13Å; L15-A18 PolarHBondContact O-N 3.16Å |
| 19 | T | 52.3 | Low | 48 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 61% | 0.613 | 70% | 0.699 | S | S | * | * | trans | -132.9 | 73.6 | 177.5 | 58.9 | 0 | 0 | 0 | 0 | 112.3 | L15 E21 | L15-T19 PolarHBondContact O-OG1 3.36Å; T19-E21 VanDerWaalsContact C-N 3.27Å; T19-E21 PolarHBondContact O-N 3.42Å | ||
| 20 | P | 45.7 | Very low | 46.8 | Very low | 108 Ų | 108 | 134 Ų | 134 | 70% | 0.701 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -6.5 | -179 | 28.7 | -32.7 | 0 | 0 | 0 | 114.8 | ||
| 21 | E | 45.3 | Very low | 45.5 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | 26.2 | -168.2 | -79.5 | -69.3 | 165 | 0 | 0 | 115.4 | T19 | T19-E21 VanDerWaalsContact C-N 3.27Å; T19-E21 PolarHBondContact O-N 3.42Å |
| 22 | R | 47.8 | Very low | 44.1 | Very low | 218 Ų | 218 | 141.6 Ų | 141.6 | 82% | 0.823 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -130.9 | -1.8 | 177.5 | -99 | -165.7 | -176.2 | -168.1 | 1.8 | 119.9 | ||
| 23 | Y | 43.4 | Very low | 43.3 | Very low | 204 Ų | 204 | 145.1 Ų | 145.1 | 80% | 0.8 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -147 | 111.9 | 170.4 | -77.3 | -83.2 | 0 | 0 | 0 | 108.7 | ||
| 24 | Y | 35.3 | Very low | 41.6 | Very low | 226 Ų | 226 | 149.7 Ų | 149.7 | 89% | 0.886 | 76% | 0.763 | S | S | * | * | trans | 152.1 | 95.5 | 146.7 | -77.2 | -60.9 | 0 | 0 | 0 | 110.5 | ||||
| 25 | H | 32.6 | Very low | 40.4 | Very low | 191 Ų | 191 | 155 Ų | 155 | 88% | 0.884 | 78% | 0.777 | S | S | * | * | trans | -133.8 | 96.5 | 150.1 | -107.5 | -18.6 | 0 | 0 | 0 | 109.4 | ||||
| 26 | V | 33.2 | Very low | 39.3 | Very low | 128 Ų | 128 | 160.5 Ų | 160.5 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -134.5 | 107.6 | 158.2 | -179.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 27 | Q | 30.6 | Very low | 38.7 | Very low | 179 Ų | 179 | 162.4 Ų | 162.4 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | trans | -75.4 | 121.1 | 167.4 | -88.7 | -177.1 | -18.8 | 0 | 0 | 109.1 | ||||
| 28 | K | 33.7 | Very low | 37.8 | Very low | 196 Ų | 196 | 163.2 Ų | 163.2 | 85% | 0.852 | 80% | 0.804 | S | S | * | * | trans | -109.1 | 122.3 | 156.9 | -83.6 | -175 | 175.6 | 179.5 | 0 | 108.1 | ||||
| 29 | V | 32.8 | Very low | 37 | Very low | 134 Ų | 134 | 168.7 Ų | 168.7 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | trans | -106.9 | 122.1 | 163.7 | 179.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 30 | A | 36.2 | Very low | 36.5 | Very low | 94 Ų | 94 | 168.9 Ų | 168.9 | 78% | 0.777 | 82% | 0.819 | S | S | * | * | trans | -68.9 | 144.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 31 | K | 34.5 | Very low | 35.8 | Very low | 212 Ų | 212 | 172.5 Ų | 172.5 | 92% | 0.922 | 83% | 0.826 | S | S | * | * | trans | -103.7 | 111.4 | 164.6 | -88.1 | -174.3 | 174.4 | 179.7 | 0 | 109.9 | ||||
| 32 | Q | 33.4 | Very low | 35.7 | Very low | 192 Ų | 192 | 170.4 Ų | 170.4 | 90% | 0.897 | 83% | 0.825 | S | S | * | * | trans | -73.9 | 141.6 | 157.9 | -84.5 | 174.7 | -24.7 | 0 | 0 | 109.9 | ||||
| 33 | Q | 37.7 | Very low | 35.1 | Very low | 183 Ų | 183 | 168.2 Ų | 168.2 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | trans | -70.4 | 132.9 | 168.2 | -75.5 | 172.2 | -22.3 | 0 | 0 | 110.8 | ||||
| 34 | Q | 29.6 | Very low | 35.1 | Very low | 182 Ų | 182 | 164.7 Ų | 164.7 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | trans | -141.9 | 133.6 | 146.1 | -77.6 | -144.5 | -19.5 | 0 | 0 | 110.5 | ||||
| 35 | H | 35.9 | Very low | 35.4 | Very low | 170 Ų | 170 | 160 Ų | 160 | 79% | 0.787 | 82% | 0.819 | S | S | * | * | trans | -72.7 | 149.5 | 171.8 | -83.6 | 54.6 | 0 | 0 | 0 | 111.4 | ||||
| 36 | Y | 27.2 | Very low | 35.9 | Very low | 221 Ų | 221 | 156.2 Ų | 156.2 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | trans | -172.5 | 163.8 | 143.1 | -95.8 | -57.4 | 0 | 0 | 0 | 110.3 | ||||
| 37 | P | 40.2 | Very low | 36.6 | Very low | 109 Ų | 109 | 153.5 Ų | 153.5 | 71% | 0.708 | 81% | 0.812 | S | S | * | * | trans | -113.2 | 171.8 | -138.8 | 21.2 | 3.5 | 0 | 0 | 0 | 114.6 | ||||
| 38 | T | 38.1 | Very low | 37.6 | Very low | 130 Ų | 130 | 154 Ų | 154 | 80% | 0.798 | 81% | 0.814 | S | S | * | * | trans | -40.2 | 131.9 | 169.8 | 35.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 39 | K | 31.1 | Very low | 38.5 | Very low | 191 Ų | 191 | 150.9 Ų | 150.9 | 83% | 0.83 | 81% | 0.814 | S | S | * | * | 171.1 | 129.2 | 115.4 | -94.4 | 179.9 | -177.1 | -178.9 | 0 | 114 | |||||
| 40 | S | 42.1 | Very low | 39.7 | Very low | 104 Ų | 104 | 147.8 Ų | 147.8 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | 35.4 | 116.6 | 144.6 | 62.1 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 41 | H | 32.1 | Very low | 40.9 | Very low | 183 Ų | 183 | 151.5 Ų | 151.5 | 85% | 0.847 | 81% | 0.814 | S | S | * | * | -161.1 | 130 | 119 | -134.3 | 34 | 0 | 0 | 0 | 111.1 | |||||
| 42 | V | 42.9 | Very low | 42.4 | Very low | 132 Ų | 132 | 147.3 Ų | 147.3 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | trans | -83.7 | 121.8 | 173.7 | 172.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 43 | Q | 34.5 | Very low | 43.9 | Very low | 172 Ų | 172 | 141.7 Ų | 141.7 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -134.9 | 106.1 | 166.4 | -159.9 | 159.1 | 23.7 | 0 | 0 | 109.2 | V45 | Q43-V45 PolarHBondContact O-N 2.69Š| ||
| 44 | T | 43.2 | Very low | 44.8 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -74.4 | 116.1 | 177.3 | -40.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 45 | V | 41.1 | Very low | 46.8 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 78% | 0.782 | 80% | 0.796 | S | S | * | * | trans | -126.4 | 110.9 | 164.3 | -174.9 | 0 | 0 | 0 | 0 | 107.5 | Q43 G47 | Q43-V45 PolarHBondContact O-N 2.69Å; V45-G47 PolarHBondContact O-N 3.23Å | ||
| 46 | S | 44.1 | Very low | 48 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -69.6 | 115 | 173 | 54.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 47 | G | 48.2 | Very low | 49.7 | Very low | 71 Ų | 71 | 129.3 Ų | 129.3 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 132.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | V45 | V45-G47 PolarHBondContact O-N 3.23Š|
| 48 | E | 50.7 | Low | 51.2 | Low | 189 Ų | 189 | 130.1 Ų | 130.1 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 138.7 | 172.8 | -72.8 | -174.8 | 143 | 0 | 0 | 110.8 | G50 | E48-G50 PolarHBondContact O-N 3.21Š|
| 49 | P | 52.5 | Low | 52.3 | Low | 130 Ų | 130 | 127 Ų | 127 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 130.1 | 175.9 | -21 | 32.3 | 0 | 0 | 0 | 111.8 | ||
| 50 | G | 58.6 | Low | 53.8 | Low | 69 Ų | 69 | 124.3 Ų | 124.3 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 148 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E48 | E48-G50 PolarHBondContact O-N 3.21Š|
| 51 | I | 60.8 | Low | 55.2 | Low | 172 Ų | 172 | 128.2 Ų | 128.2 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 128.3 | 179.4 | -7.1 | 173.9 | 0 | 0 | 0 | 110.4 | G53 | I51-G53 PolarHBondContact O-N 3.45Š|
| 52 | P | 66.6 | Low | 56.4 | Low | 124 Ų | 124 | 122 Ų | 122 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 133.6 | 176.7 | -24.9 | 34.1 | 0 | 0 | 0 | 112 | ||
| 53 | G | 63.7 | Low | 57.1 | Low | 74 Ų | 74 | 121.6 Ų | 121.6 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 145.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I51 | I51-G53 PolarHBondContact O-N 3.45Š|
| 54 | S | 57.8 | Low | 59 | Low | 111 Ų | 111 | 119.6 Ų | 119.6 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 141.1 | 178.3 | 50.5 | 0 | 0 | 0 | 0 | 111.6 | G56 | S54-G56 PolarHBondContact O-N 3.17Š|
| 55 | P | 71.4 | Confident | 59.6 | Low | 125 Ų | 125 | 116.5 Ų | 116.5 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 135.7 | 176 | -24 | 33.3 | 0 | 0 | 0 | 111.7 | ||
| 56 | G | 60.4 | Low | 60.3 | Low | 73 Ų | 73 | 116.2 Ų | 116.2 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 145 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S54 | S54-G56 PolarHBondContact O-N 3.17Š|
| 57 | E | 63 | Low | 61.3 | Low | 187 Ų | 187 | 116.9 Ų | 116.9 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 140.9 | 179.2 | -69.1 | -165.6 | 153.2 | 0 | 0 | 111.6 | G59 | E57-G59 PolarHBondContact O-N 3.38Š|
| 58 | P | 71.3 | Confident | 61.7 | Low | 127 Ų | 127 | 116.8 Ų | 116.8 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 131.5 | 174.7 | -23 | 33.1 | 0 | 0 | 0 | 111.3 | ||
| 59 | G | 61.1 | Low | 61.9 | Low | 64 Ų | 64 | 115.8 Ų | 115.8 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 151.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E57 | E57-G59 PolarHBondContact O-N 3.38Š|
| 60 | P | 62.7 | Low | 61.9 | Low | 134 Ų | 134 | 117.2 Ų | 117.2 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 139.9 | -177.8 | 24.9 | -33.2 | 0 | 0 | 0 | 111.4 | G62 | P60-G62 PolarHBondContact O-N 2.98Š|
| 61 | M | 71.8 | Confident | 61.3 | Low | 186 Ų | 186 | 117.7 Ų | 117.7 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 129.4 | 178.1 | -174.8 | 171.4 | 63.1 | 0 | 0 | 110.5 | ||
| 62 | G | 58.7 | Low | 60.8 | Low | 54 Ų | 54 | 115.7 Ų | 115.7 | 56% | 0.557 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 152.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | P60 | P60-G62 PolarHBondContact O-N 2.98Š|
| 63 | P | 57.8 | Low | 59.9 | Low | 123 Ų | 123 | 113.1 Ų | 113.1 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -64 | 146.6 | -177.8 | 25.5 | -32.7 | 0 | 0 | 0 | 111.8 | ||
| 64 | P | 74.1 | Confident | 59.1 | Low | 129 Ų | 129 | 117.8 Ų | 117.8 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 139.2 | 175.8 | -21.9 | 32.2 | 0 | 0 | 0 | 111.9 | ||
| 65 | G | 56.1 | Low | 59.3 | Low | 64 Ų | 64 | 118.5 Ų | 118.5 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 153.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 66 | P | 54.6 | Low | 58.4 | Low | 123 Ų | 123 | 116.1 Ų | 116.1 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 146.2 | -178.5 | 25.8 | -32.9 | 0 | 0 | 0 | 111.5 | G68 | P66-G68 PolarHBondContact O-N 3.13Š|
| 67 | P | 66.1 | Low | 57.8 | Low | 126 Ų | 126 | 122.1 Ų | 122.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 133.9 | 176 | -20 | 31 | 0 | 0 | 0 | 111.3 | ||
| 68 | G | 56 | Low | 57.7 | Low | 68 Ų | 68 | 122.6 Ų | 122.6 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 139.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P66 N70 | P66-G68 PolarHBondContact O-N 3.13Å; G68-N70 PolarHBondContact O-N 3.46Å |
| 69 | N | 54.8 | Low | 56.9 | Low | 168 Ų | 168 | 119.2 Ų | 119.2 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 127.8 | 177.1 | -84 | -16.4 | 0 | 0 | 0 | 111.3 | G71 | N69-G71 PolarHBondContact O-N 3.11Š|
| 70 | N | 51.9 | Low | 56.7 | Low | 160 Ų | 160 | 122 Ų | 122 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 118.3 | 174.6 | -68.1 | -21.3 | 0 | 0 | 0 | 110.4 | G68 | G68-N70 PolarHBondContact O-N 3.46Š|
| 71 | G | 47.6 | Very low | 56.9 | Low | 79 Ų | 79 | 121.8 Ų | 121.8 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 129.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N69 G73 | N69-G71 PolarHBondContact O-N 3.11Å; G71-G73 PolarHBondContact O-N 3.29Å |
| 72 | V | 50.4 | Low | 56.1 | Low | 131 Ų | 131 | 116.3 Ų | 116.3 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | -81.5 | 111.4 | 172.4 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 73 | G | 46.5 | Very low | 55.7 | Low | 70 Ų | 70 | 118.3 Ų | 118.3 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 127 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | G71 | G71-G73 PolarHBondContact O-N 3.29Š|
| 74 | H | 46.9 | Very low | 56 | Low | 172 Ų | 172 | 118.6 Ų | 118.6 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 136.5 | 169.6 | -67.2 | -71.5 | 0 | 0 | 0 | 110.4 | G76 | H74-G76 PolarHBondContact O-N 3.44Š|
| 75 | P | 62.2 | Low | 55.2 | Low | 125 Ų | 125 | 115.6 Ų | 115.6 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 133.9 | 174.4 | -20.5 | 31.3 | 0 | 0 | 0 | 111.5 | ||
| 76 | G | 53.4 | Low | 55.1 | Low | 75 Ų | 75 | 118.9 Ų | 118.9 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -63 | 146.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | H74 Q78 | H74-G76 PolarHBondContact O-N 3.44Å; G76-Q78 PolarHBondContact O-N 3.22Å |
| 77 | Q | 47.7 | Very low | 54.8 | Low | 199 Ų | 199 | 117.6 Ų | 117.6 | 93% | 0.93 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 134.1 | 178.3 | -71.4 | -175.1 | -2.4 | 0 | 0 | 111.2 | G79 | Q77-G79 PolarHBondContact O-N 2.76Š|
| 78 | Q | 60.3 | Low | 53.8 | Low | 197 Ų | 197 | 115.1 Ų | 115.1 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 127.7 | 179.6 | -167.4 | 172.2 | 17.1 | 0 | 0 | 110.3 | G76 | G76-Q78 PolarHBondContact O-N 3.22Š|
| 79 | G | 55.1 | Low | 53.3 | Low | 56 Ų | 56 | 123.4 Ų | 123.4 | 58% | 0.577 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 150.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q77 | Q77-G79 PolarHBondContact O-N 2.76Š|
| 80 | P | 55.6 | Low | 52.9 | Low | 123 Ų | 123 | 121.2 Ų | 121.2 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 146.2 | -177.9 | 25.2 | -32.2 | 0 | 0 | 0 | 111.5 | ||
| 81 | P | 67.3 | Low | 52.4 | Low | 129 Ų | 129 | 118.8 Ų | 118.8 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 137.4 | 179 | -23.2 | 32.9 | 0 | 0 | 0 | 112.5 | ||
| 82 | G | 56.1 | Low | 52.2 | Low | 72 Ų | 72 | 120.3 Ų | 120.3 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 145.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 83 | A | 49.7 | Very low | 51.7 | Low | 96 Ų | 96 | 117.7 Ų | 117.7 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 139 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G85 | A83-G85 PolarHBondContact O-N 3.41Š|
| 84 | P | 63.4 | Low | 51.2 | Low | 128 Ų | 128 | 124.1 Ų | 124.1 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 133.2 | 175.6 | -22.3 | 32.4 | 0 | 0 | 0 | 111.9 | ||
| 85 | G | 58.5 | Low | 51 | Low | 66 Ų | 66 | 122.4 Ų | 122.4 | 68% | 0.68 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 150.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A83 | A83-G85 PolarHBondContact O-N 3.41Š|
| 86 | P | 53.9 | Low | 50.2 | Low | 134 Ų | 134 | 120 Ų | 120 | 87% | 0.87 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 143.8 | -177 | 25.8 | -32 | 0 | 0 | 0 | 112.2 | G88 | P86-G88 PolarHBondContact O-N 3.1Š|
| 87 | A | 47 | Very low | 49.6 | Very low | 95 Ų | 95 | 122 Ų | 122 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 128.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 88 | G | 45 | Very low | 50 | Low | 74 Ų | 74 | 119 Ų | 119 | 76% | 0.763 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 130.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | P86 | P86-G88 PolarHBondContact O-N 3.1Š|
| 89 | Y | 46.4 | Very low | 49.1 | Very low | 242 Ų | 242 | 113.3 Ų | 113.3 | 95% | 0.949 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 126 | 167.7 | -84.4 | -93.2 | 0 | 0 | 0 | 110.1 | ||
| 90 | S | 46.6 | Very low | 49 | Very low | 123 Ų | 123 | 114 Ų | 114 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 124.5 | 178.9 | 30.7 | 0 | 0 | 0 | 0 | 111.5 | ||
| 91 | A | 41 | Very low | 49 | Very low | 108 Ų | 108 | 114.7 Ų | 114.7 | 89% | 0.893 | 83% | 0.827 | S | S | * | * | trans | -140.6 | 136.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 92 | A | 42.7 | Very low | 48 | Very low | 112 Ų | 112 | 112.2 Ų | 112.2 | 93% | 0.926 | 83% | 0.825 | S | S | * | * | trans | -99 | 151.7 | -160.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 93 | G | 40 | Very low | 47.6 | Very low | 75 Ų | 75 | 118.3 Ų | 118.3 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | trans | 145.7 | 126.3 | 158.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 94 | K | 35.8 | Very low | 47.9 | Very low | 205 Ų | 205 | 120 Ų | 120 | 89% | 0.891 | 83% | 0.834 | S | S | * | * | cis | -146.3 | 146.9 | 13.9 | -65.4 | 176.4 | 176.5 | -178.4 | 0 | 110.1 | ||||
| 95 | P | 43.9 | Very low | 47.2 | Very low | 137 Ų | 137 | 117.4 Ų | 117.4 | 89% | 0.89 | 83% | 0.831 | S | S | * | * | trans | -83.3 | 152.5 | 162.7 | 2.7 | 15.9 | 0 | 0 | 0 | 110.4 | ||||
| 96 | G | 44.8 | Very low | 46.7 | Very low | 75 Ų | 75 | 119.8 Ų | 119.8 | 77% | 0.773 | 84% | 0.837 | S | S | * | * | cis | 166.1 | 146.8 | -0.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 97 | S | 40.8 | Very low | 46.6 | Very low | 115 Ų | 115 | 121 Ų | 121 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -101 | 126.2 | 172.1 | 54 | 0 | 0 | 0 | 0 | 110.6 | ||
| 98 | P | 54.9 | Low | 46.5 | Very low | 136 Ų | 136 | 119.9 Ų | 119.9 | 88% | 0.883 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 144.6 | 179.6 | -22.9 | 33.5 | 0 | 0 | 0 | 114.1 | ||
| 99 | G | 42.8 | Very low | 46.6 | Very low | 79 Ų | 79 | 125 Ų | 125 | 81% | 0.814 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 160.9 | -158.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 100 | G | 52 | Low | 47.2 | Very low | 71 Ų | 71 | 119.5 Ų | 119.5 | 73% | 0.732 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 145.4 | 168 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 101 | P | 55.8 | Low | 47.3 | Very low | 136 Ų | 136 | 117.2 Ų | 117.2 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -60 | 139.2 | 178.3 | -22.1 | 32.8 | 0 | 0 | 0 | 113.5 | ||
| 102 | G | 46.3 | Very low | 47.7 | Very low | 77 Ų | 77 | 120.6 Ų | 120.6 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 138.8 | -166.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 103 | K | 48.8 | Very low | 48.2 | Very low | 201 Ų | 201 | 124.8 Ų | 124.8 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 135.5 | 160.1 | -70.9 | -175 | 178.2 | -175.9 | 0 | 109 | G105 | K103-G105 PolarHBondContact O-N 3.21Š|
| 104 | P | 55.2 | Low | 48.6 | Very low | 130 Ų | 130 | 124.4 Ų | 124.4 | 84% | 0.844 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 133.2 | 176.3 | -26.1 | 33.7 | 0 | 0 | 0 | 111.7 | S106 | P104-S106 PolarHBondContact O-N 3.29Š|
| 105 | G | 48.8 | Very low | 49.2 | Very low | 74 Ų | 74 | 122.5 Ų | 122.5 | 76% | 0.763 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -60 | 122.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K103 | K103-G105 PolarHBondContact O-N 3.21Š|
| 106 | S | 47.8 | Very low | 49.6 | Very low | 117 Ų | 117 | 122.7 Ų | 122.7 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 129.3 | 165 | 50 | 0 | 0 | 0 | 0 | 109.5 | P104 G108 | P104-S106 PolarHBondContact O-N 3.29Å; S106-G108 PolarHBondContact O-N 2.92Å |
| 107 | N | 52.1 | Low | 49.8 | Very low | 159 Ų | 159 | 122.2 Ų | 122.2 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | -45.5 | 134.7 | 173.5 | -74.3 | -11 | 0 | 0 | 0 | 111.2 | M109 | N107-M109 PolarHBondContact O-N 2.91Š| ||
| 108 | G | 44.1 | Very low | 50.5 | Low | 72 Ų | 72 | 121.1 Ų | 121.1 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 135.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S106 | S106-G108 PolarHBondContact O-N 2.92Š|
| 109 | M | 47.3 | Very low | 50.9 | Low | 180 Ų | 180 | 120.7 Ų | 120.7 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 133.3 | 174.2 | -71.1 | 174.7 | 63.9 | 0 | 0 | 109.6 | N107 G111 | N107-M109 PolarHBondContact O-N 2.91Å; M109-G111 PolarHBondContact O-N 2.82Å |
| 110 | P | 60.6 | Low | 51.3 | Low | 127 Ų | 127 | 120.3 Ų | 120.3 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 133.9 | 170.9 | -23.7 | 33 | 0 | 0 | 0 | 110.2 | ||
| 111 | G | 47.4 | Very low | 51.2 | Low | 75 Ų | 75 | 121.9 Ų | 121.9 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -54 | 142.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M109 K113 | M109-G111 PolarHBondContact O-N 2.82Å; G111-K113 PolarHBondContact O-N 2.83Å |
| 112 | E | 49.9 | Very low | 51.2 | Low | 179 Ų | 179 | 123.8 Ų | 123.8 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 125.2 | 178.1 | -74.6 | -173.1 | 139 | 0 | 0 | 110.8 | G114 | E112-G114 PolarHBondContact O-N 2.75Š|
| 113 | K | 52.1 | Low | 51.9 | Low | 200 Ų | 200 | 122.7 Ų | 122.7 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -62 | 121.1 | 171.1 | -152.5 | 179.4 | -159.4 | -179.8 | 0 | 107.2 | G111 H115 | G111-K113 PolarHBondContact O-N 2.83Å; K113-H115 PolarHBondContact O-N 2.78Å |
| 114 | G | 49.3 | Very low | 52.1 | Low | 67 Ų | 67 | 119.4 Ų | 119.4 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 134.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | E112 T116 | E112-G114 PolarHBondContact O-N 2.75Å; G114-T116 PolarHBondContact O-N 3.28Å |
| 115 | H | 48.1 | Very low | 52.5 | Low | 165 Ų | 165 | 124.1 Ų | 124.1 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -56 | 128.1 | -178.9 | -49.4 | -21.1 | 0 | 0 | 0 | 109.1 | K113 G117 | K113-H115 PolarHBondContact O-N 2.78Å; H115-G117 PolarHBondContact O-N 3.3Å |
| 116 | T | 52.5 | Low | 52.8 | Low | 142 Ų | 142 | 123.6 Ų | 123.6 | 87% | 0.871 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 125.7 | 171.4 | -28 | 0 | 0 | 0 | 0 | 107.7 | G114 A118 | G114-T116 PolarHBondContact O-N 3.28Å; T116-A118 PolarHBondContact O-N 3.13Å |
| 117 | G | 49.3 | Very low | 53 | Low | 65 Ų | 65 | 123.3 Ų | 123.3 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -52 | 140 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | H115 | H115-G117 PolarHBondContact O-N 3.3Š|
| 118 | A | 54.7 | Low | 53.6 | Low | 91 Ų | 91 | 121.1 Ų | 121.1 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 136.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | T116 G120 | T116-A118 PolarHBondContact O-N 3.13Å; A118-G120 PolarHBondContact O-N 3.49Å |
| 119 | P | 62.9 | Low | 54.2 | Low | 127 Ų | 127 | 121.1 Ų | 121.1 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 127.8 | 171.9 | -24.1 | 32.7 | 0 | 0 | 0 | 109.2 | A121 | P119-A121 PolarHBondContact O-N 3.35Š|
| 120 | G | 51.7 | Low | 54.5 | Low | 72 Ų | 72 | 118.2 Ų | 118.2 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 139 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | A118 M122 | A118-G120 PolarHBondContact O-N 3.49Å; G120-M122 PolarHBondContact O-N 3.42Å |
| 121 | A | 50.5 | Low | 54.3 | Low | 103 Ų | 103 | 116.9 Ų | 116.9 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 119.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | P119 G123 | P119-A121 PolarHBondContact O-N 3.35Å; A121-G123 PolarHBondContact O-N 3.45Å |
| 122 | M | 56.5 | Low | 54.5 | Low | 177 Ų | 177 | 116.6 Ų | 116.6 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 121.5 | 172.7 | 179.3 | 168.8 | 54.4 | 0 | 0 | 107.9 | G120 | G120-M122 PolarHBondContact O-N 3.42Š|
| 123 | G | 60 | Low | 54.2 | Low | 53 Ų | 53 | 113.5 Ų | 113.5 | 55% | 0.546 | 77% | 0.774 | S | S | . | * | P | Polyproline II helix | trans | -54.1 | 147.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | A121 R125 | A121-G123 PolarHBondContact O-N 3.45Å; G123-R125 PolarHBondContact O-N 3.01Å; G123-R125 VanDerWaalsContact O-N 3.08Å |
| 124 | P | 52.5 | Low | 54.5 | Low | 132 Ų | 132 | 110.1 Ų | 110.1 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 121.3 | -175.9 | 22.8 | -31.9 | 0 | 0 | 0 | 109.5 | G126 | P124-G126 PolarHBondContact O-N 2.87Š|
| 125 | R | 63.4 | Low | 54.6 | Low | 229 Ų | 229 | 110 Ų | 110 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 123.3 | 173 | -174.2 | 177.1 | -172.1 | 168.1 | 2.5 | 107.8 | G123 S127 | G123-R125 PolarHBondContact O-N 3.01Å; G123-R125 VanDerWaalsContact O-N 3.08Å; R125-S127 PolarHBondContact O-N 3.36Å |
| 126 | G | 55.1 | Low | 54.6 | Low | 63 Ų | 63 | 108.7 Ų | 108.7 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 134 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | P124 | P124-G126 PolarHBondContact O-N 2.87Š|
| 127 | S | 53 | Low | 54.3 | Low | 111 Ų | 111 | 106.5 Ų | 106.5 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 126.9 | 179.4 | 47.4 | 0 | 0 | 0 | 0 | 109.9 | R125 G129 | R125-S127 PolarHBondContact O-N 3.36Å; S127-G129 PolarHBondContact O-N 3.07Å |
| 128 | P | 65.5 | Low | 53.9 | Low | 113 Ų | 113 | 107.1 Ų | 107.1 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 135.4 | 172 | -23.8 | 33.4 | 0 | 0 | 0 | 110.2 | ||
| 129 | G | 55.9 | Low | 53.3 | Low | 73 Ų | 73 | 113.3 Ų | 113.3 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 142.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S127 A131 | S127-G129 PolarHBondContact O-N 3.07Å; G129-A131 PolarHBondContact O-N 3.14Å |
| 130 | S | 52.6 | Low | 52.4 | Low | 119 Ų | 119 | 112.3 Ų | 112.3 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 125.9 | 179.3 | 49 | 0 | 0 | 0 | 0 | 110.9 | G132 | S130-G132 PolarHBondContact O-N 2.86Š|
| 131 | A | 57.8 | Low | 51.9 | Low | 98 Ų | 98 | 114.7 Ų | 114.7 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -59 | 130 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | G129 | G129-A131 PolarHBondContact O-N 3.14Š|
| 132 | G | 51.3 | Low | 51.6 | Low | 69 Ų | 69 | 115 Ų | 115 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 139.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | S130 | S130-G132 PolarHBondContact O-N 2.86Š|
| 133 | S | 43.1 | Very low | 51.1 | Low | 115 Ų | 115 | 110 Ų | 110 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 126.3 | 178.3 | 48.8 | 0 | 0 | 0 | 0 | 111 | G135 | S133-G135 PolarHBondContact O-N 3.37Š|
| 134 | P | 58.9 | Low | 50.3 | Low | 129 Ų | 129 | 117.4 Ų | 117.4 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 133.3 | 178.3 | -23.6 | 33.3 | 0 | 0 | 0 | 112.4 | ||
| 135 | G | 50.8 | Low | 50.4 | Low | 65 Ų | 65 | 117.2 Ų | 117.2 | 67% | 0.67 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 155.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S133 | S133-G135 PolarHBondContact O-N 3.37Š|
| 136 | P | 49.4 | Very low | 49.8 | Very low | 136 Ų | 136 | 109 Ų | 109 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 143.6 | -173.3 | 26.7 | -31.9 | 0 | 0 | 0 | 112.4 | ||
| 137 | A | 45.8 | Very low | 49.6 | Very low | 97 Ų | 97 | 112.5 Ų | 112.5 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 129.5 | -170 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 138 | G | 40 | Very low | 49.4 | Very low | 78 Ų | 78 | 116.3 Ų | 116.3 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 123.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 139 | Y | 43.3 | Very low | 48.8 | Very low | 220 Ų | 220 | 114.3 Ų | 114.3 | 86% | 0.863 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 137.3 | 170.1 | -78.7 | -95.5 | 0 | 0 | 0 | 110.8 | ||
| 140 | S | 42.7 | Very low | 48.5 | Very low | 107 Ų | 107 | 118.9 Ų | 118.9 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | 164.7 | 120.5 | 124.5 | -68.3 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 141 | S | 40.9 | Very low | 49 | Very low | 121 Ų | 121 | 119.2 Ų | 119.2 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | 59.7 | 120.1 | 145.1 | 42.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 142 | A | 45.8 | Very low | 48.8 | Very low | 110 Ų | 110 | 118.1 Ų | 118.1 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 128.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 143 | G | 45.2 | Very low | 49.1 | Very low | 72 Ų | 72 | 118.6 Ų | 118.6 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 134.4 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 144 | K | 44.3 | Very low | 49.8 | Very low | 209 Ų | 209 | 122.2 Ų | 122.2 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -65 | 133.8 | -178.6 | -67 | -173.7 | 178.6 | -173 | 0 | 111.3 | ||
| 145 | P | 52.9 | Low | 49.9 | Very low | 127 Ų | 127 | 118.7 Ų | 118.7 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 133.8 | 176 | -20.1 | 32.1 | 0 | 0 | 0 | 112.7 | ||
| 146 | G | 50.8 | Low | 50.3 | Low | 56 Ų | 56 | 122.1 Ų | 122.1 | 58% | 0.577 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 156.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | H148 | G146-H148 PolarHBondContact O-N 3.04Š|
| 147 | P | 51.8 | Low | 50.8 | Low | 137 Ų | 137 | 126.8 Ų | 126.8 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 133 | -177 | 25.8 | -32.2 | 0 | 0 | 0 | 111.4 | ||
| 148 | H | 49.8 | Very low | 51.3 | Low | 191 Ų | 191 | 125.2 Ų | 125.2 | 88% | 0.884 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 132.7 | 176.3 | -90.1 | 50.9 | 0 | 0 | 0 | 111.3 | G146 | G146-H148 PolarHBondContact O-N 3.04Š|
| 149 | G | 51 | Low | 51.9 | Low | 72 Ų | 72 | 130.9 Ų | 130.9 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 145.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 150 | L | 51.4 | Low | 52.6 | Low | 169 Ų | 169 | 125.4 Ų | 125.4 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 137.9 | -177.9 | -70.3 | 164.2 | 0 | 0 | 0 | 111.8 | G152 | L150-G152 PolarHBondContact O-N 3.02Š|
| 151 | P | 62.5 | Low | 53 | Low | 125 Ų | 125 | 124 Ų | 124 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 127.9 | 174 | -21.7 | 32.2 | 0 | 0 | 0 | 111.8 | ||
| 152 | G | 52.8 | Low | 53.4 | Low | 75 Ų | 75 | 126.9 Ų | 126.9 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 139.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | L150 | L150-G152 PolarHBondContact O-N 3.02Š|
| 153 | G | 57.3 | Low | 54 | Low | 79 Ų | 79 | 131.1 Ų | 131.1 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 138.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | G155 | G153-G155 PolarHBondContact O-N 2.98Š|
| 154 | M | 57.5 | Low | 54 | Low | 191 Ų | 191 | 131 Ų | 131 | 94% | 0.941 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 123.6 | 176.2 | -173.3 | 169.2 | 62.7 | 0 | 0 | 110.6 | ||
| 155 | G | 62.4 | Low | 54 | Low | 56 Ų | 56 | 129.7 Ų | 129.7 | 58% | 0.577 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 154.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G153 R157 | G153-G155 PolarHBondContact O-N 2.98Å; G155-R157 PolarHBondContact O-N 2.91Å |
| 156 | P | 57.8 | Low | 54.3 | Low | 137 Ų | 137 | 129.8 Ų | 129.8 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 133.3 | -174.3 | 25.5 | -32.8 | 0 | 0 | 0 | 111.7 | G158 | P156-G158 PolarHBondContact O-N 3.34Š|
| 157 | R | 61.8 | Low | 54 | Low | 234 Ų | 234 | 130.5 Ų | 130.5 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 124.7 | 176.9 | -178.6 | 177.3 | 179.3 | 165 | -0.1 | 110.1 | G155 | G155-R157 PolarHBondContact O-N 2.91Š|
| 158 | G | 56.1 | Low | 53.9 | Low | 63 Ų | 63 | 132 Ų | 132 | 65% | 0.649 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 142 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P156 | P156-G158 PolarHBondContact O-N 3.34Š|
| 159 | E | 51.7 | Low | 54 | Low | 198 Ų | 198 | 128.6 Ų | 128.6 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -61 | 138.4 | -178.9 | -70 | -175.7 | 151.6 | 0 | 0 | 112 | ||
| 160 | S | 57.7 | Low | 53.8 | Low | 105 Ų | 105 | 128.8 Ų | 128.8 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -76 | 126.8 | -178 | -56.9 | 0 | 0 | 0 | 0 | 110.4 | ||
| 161 | G | 51.3 | Low | 53.6 | Low | 77 Ų | 77 | 129.4 Ų | 129.4 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 143.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K163 | G161-K163 PolarHBondContact O-N 3.44Š|
| 162 | L | 48.7 | Very low | 53 | Low | 182 Ų | 182 | 132.6 Ų | 132.6 | 95% | 0.953 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 129.1 | -178.3 | -66.6 | 168.2 | 0 | 0 | 0 | 111.6 | G164 | L162-G164 PolarHBondContact O-N 2.79Š|
| 163 | K | 59.3 | Low | 52.8 | Low | 199 Ų | 199 | 132.4 Ų | 132.4 | 87% | 0.865 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 123.4 | -179.4 | -163.3 | 178.6 | -172.7 | -177.3 | 0 | 110.3 | G161 | G161-K163 PolarHBondContact O-N 3.44Š|
| 164 | G | 45.9 | Very low | 52.2 | Low | 68 Ų | 68 | 138.2 Ų | 138.2 | 70% | 0.701 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 146.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L162 | L162-G164 PolarHBondContact O-N 2.79Š|
| 165 | H | 43.5 | Very low | 51.9 | Low | 182 Ų | 182 | 138.7 Ų | 138.7 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 142.4 | -177.6 | -53.5 | -55.5 | 0 | 0 | 0 | 112.4 | ||
| 166 | P | 58.4 | Low | 51.4 | Low | 129 Ų | 129 | 139.5 Ų | 139.5 | 84% | 0.838 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 138.2 | 177.3 | -19.5 | 31.8 | 0 | 0 | 0 | 112.8 | ||
| 167 | G | 44.7 | Very low | 50.8 | Low | 71 Ų | 71 | 142.2 Ų | 142.2 | 73% | 0.732 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 148.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 168 | I | 49.3 | Very low | 49.9 | Very low | 168 Ų | 168 | 143 Ų | 143 | 86% | 0.862 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 131.1 | -177.6 | -49.5 | 168.3 | 0 | 0 | 0 | 109.7 | ||
| 169 | P | 53.8 | Low | 49.5 | Very low | 120 Ų | 120 | 143.6 Ų | 143.6 | 78% | 0.779 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 139.1 | 177.8 | -23.8 | 34 | 0 | 0 | 0 | 113.5 | ||
| 170 | G | 45.4 | Very low | 48.9 | Very low | 77 Ų | 77 | 141 Ų | 141 | 79% | 0.794 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 143.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 171 | L | 47.8 | Very low | 48.2 | Very low | 182 Ų | 182 | 139.4 Ų | 139.4 | 95% | 0.953 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 134.9 | 179.2 | -73.6 | 163.7 | 0 | 0 | 0 | 111.9 | ||
| 172 | Q | 50 | Low | 47.9 | Very low | 191 Ų | 191 | 143.3 Ų | 143.3 | 89% | 0.893 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 129.6 | -179.8 | -170.6 | 173.3 | 14.6 | 0 | 0 | 111.4 | ||
| 173 | G | 48.7 | Very low | 47.8 | Very low | 72 Ų | 72 | 140.6 Ų | 140.6 | 74% | 0.742 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 137.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 174 | Q | 45.3 | Very low | 47.2 | Very low | 200 Ų | 200 | 135 Ų | 135 | 94% | 0.935 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 132 | 176.5 | -74.6 | -176.1 | -4.7 | 0 | 0 | 111.5 | ||
| 175 | K | 50.2 | Low | 47.2 | Very low | 202 Ų | 202 | 136.4 Ų | 136.4 | 88% | 0.878 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -69 | 133.9 | 176.1 | -178.7 | -177.8 | 178.7 | -174.2 | 0 | 110.4 | ||
| 176 | G | 51.5 | Low | 47.6 | Very low | 72 Ų | 72 | 133.9 Ų | 133.9 | 74% | 0.742 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 147 | 180 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 177 | E | 45.5 | Very low | 47.1 | Very low | 195 Ų | 195 | 131.3 Ų | 131.3 | 91% | 0.911 | 83% | 0.83 | S | S | * | * | trans | -115.5 | 143.3 | 170.6 | -71.5 | -170.4 | 154.1 | 0 | 0 | 111.4 | ||||
| 178 | R | 43.8 | Very low | 47.2 | Very low | 250 Ų | 250 | 133 Ų | 133 | 94% | 0.943 | 84% | 0.837 | S | S | * | * | trans | -79.2 | 151.8 | -173.9 | -78.7 | 179.2 | -71.4 | -143.6 | -3.5 | 112.2 | ||||
| 179 | G | 46.5 | Very low | 47.1 | Very low | 75 Ų | 75 | 132.7 Ų | 132.7 | 77% | 0.773 | 84% | 0.837 | S | S | * | * | trans | -82.6 | 177.2 | -167.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 180 | V | 39 | Very low | 46.7 | Very low | 144 Ų | 144 | 130.3 Ų | 130.3 | 87% | 0.873 | 84% | 0.835 | S | S | * | * | trans | -147.4 | 131.6 | 163.9 | 177.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 181 | G | 43.6 | Very low | 46.7 | Very low | 72 Ų | 72 | 136.3 Ų | 136.3 | 74% | 0.742 | 84% | 0.842 | S | S | * | * | trans | -82.2 | 153 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 182 | I | 45.6 | Very low | 47.1 | Very low | 159 Ų | 159 | 134.5 Ų | 134.5 | 82% | 0.815 | 84% | 0.838 | S | S | * | * | trans | -134.7 | 130 | 169.7 | -52.3 | 178.9 | 0 | 0 | 0 | 108.6 | ||||
| 183 | P | 46.9 | Very low | 47.3 | Very low | 125 Ų | 125 | 128 Ų | 128 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 161.8 | -177.8 | -24.1 | 34.3 | 0 | 0 | 0 | 116.7 | ||
| 184 | G | 45.6 | Very low | 47.9 | Very low | 80 Ų | 80 | 131.1 Ų | 131.1 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -71 | 157.3 | -165.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 185 | A | 47.1 | Very low | 48.3 | Very low | 98 Ų | 98 | 130.4 Ų | 130.4 | 81% | 0.81 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 133.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 186 | P | 51.2 | Low | 48.5 | Very low | 129 Ų | 129 | 123.6 Ų | 123.6 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -61 | 152.1 | 177.3 | -23.8 | 33.7 | 0 | 0 | 0 | 114.9 | ||
| 187 | G | 47.5 | Very low | 48.8 | Very low | 75 Ų | 75 | 126.6 Ų | 126.6 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 148.5 | -175 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 188 | A | 46.8 | Very low | 49.3 | Very low | 106 Ų | 106 | 123.2 Ų | 123.2 | 88% | 0.876 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 125.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 189 | N | 48.3 | Very low | 49.3 | Very low | 162 Ų | 162 | 115 Ų | 115 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 149.5 | 175.8 | -87.1 | -16.6 | 0 | 0 | 0 | 112.8 | ||
| 190 | G | 45.4 | Very low | 49.4 | Very low | 71 Ų | 71 | 120.5 Ų | 120.5 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 151.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | V192 | G190-V192 PolarHBondContact O-N 2.97Š|
| 191 | Q | 44.8 | Very low | 50.1 | Low | 203 Ų | 203 | 119.9 Ų | 119.9 | 95% | 0.949 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 122.8 | 169.2 | -71.9 | -175.5 | -36.3 | 0 | 0 | 109.9 | ||
| 192 | V | 55.4 | Low | 50.4 | Low | 143 Ų | 143 | 120 Ų | 120 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 133.2 | 173.4 | 174.8 | 0 | 0 | 0 | 0 | 109.6 | G190 | G190-V192 PolarHBondContact O-N 2.97Š|
| 193 | G | 55.4 | Low | 50.4 | Low | 56 Ų | 56 | 121.6 Ų | 121.6 | 58% | 0.577 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 152.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | M195 | G193-M195 PolarHBondContact O-N 2.79Š|
| 194 | P | 60.4 | Low | 50.4 | Low | 137 Ų | 137 | 121.8 Ų | 121.8 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 130.2 | 177.3 | 25.9 | -31.7 | 0 | 0 | 0 | 111.7 | ||
| 195 | M | 54.6 | Low | 50.4 | Low | 184 Ų | 184 | 121.3 Ų | 121.3 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 132 | 175.9 | 179.3 | 167.4 | 54.8 | 0 | 0 | 112.5 | G193 | G193-M195 PolarHBondContact O-N 2.79Š|
| 196 | G | 53.4 | Low | 50.2 | Low | 60 Ų | 60 | 124.3 Ų | 124.3 | 62% | 0.619 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 149.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 197 | P | 58.6 | Low | 49.6 | Very low | 134 Ų | 134 | 121.2 Ų | 121.2 | 87% | 0.87 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 129.4 | 174.8 | 27.6 | -30.6 | 0 | 0 | 0 | 111.6 | ||
| 198 | S | 54.5 | Low | 49.2 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 144.2 | 170 | -88.7 | 0 | 0 | 0 | 0 | 112.2 | ||
| 199 | G | 44.1 | Very low | 49.2 | Very low | 76 Ų | 76 | 128.1 Ų | 128.1 | 78% | 0.784 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 154.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 200 | M | 49.8 | Very low | 49.1 | Very low | 191 Ų | 191 | 124.1 Ų | 124.1 | 94% | 0.941 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 134.3 | 166.3 | -76.5 | -175.5 | 139.9 | 0 | 0 | 110.4 | ||
| 201 | P | 53.9 | Low | 49 | Very low | 132 Ų | 132 | 125.7 Ų | 125.7 | 86% | 0.857 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 147.2 | 174.7 | -16.8 | 30.3 | 0 | 0 | 0 | 113.1 | ||
| 202 | G | 48.8 | Very low | 49.3 | Very low | 74 Ų | 74 | 123 Ų | 123 | 76% | 0.763 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 166.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 203 | Q | 45.2 | Very low | 48.8 | Very low | 193 Ų | 193 | 119 Ų | 119 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | trans | -138.2 | 151.8 | 159.7 | -88.4 | -171.4 | -12.3 | 0 | 0 | 111.6 | ||||
| 204 | P | 47.3 | Very low | 48.5 | Very low | 128 Ų | 128 | 127 Ų | 127 | 83% | 0.831 | 83% | 0.828 | S | S | * | * | trans | -99.8 | 138.4 | -153.7 | 0.2 | 22.2 | 0 | 0 | 0 | 116 | ||||
| 205 | G | 46.7 | Very low | 48.6 | Very low | 71 Ų | 71 | 126.3 Ų | 126.3 | 73% | 0.732 | 82% | 0.824 | S | S | * | * | trans | 27.1 | 127 | 142.4 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 206 | V | 42.2 | Very low | 48.3 | Very low | 160 Ų | 160 | 121 Ų | 121 | 97% | 0.97 | 82% | 0.816 | S | S | * | * | trans | -167.4 | 133 | 132.4 | -179.8 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 207 | G | 39.5 | Very low | 48.2 | Very low | 64 Ų | 64 | 126.6 Ų | 126.6 | 66% | 0.66 | 83% | 0.826 | S | S | * | * | cis | -177.3 | 154.9 | -3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 208 | K | 38.6 | Very low | 48.4 | Very low | 204 Ų | 204 | 126.1 Ų | 126.1 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | trans | 71.4 | 99.4 | 148.6 | -61.1 | -173 | -178.5 | 180 | 0 | 121.3 | ||||
| 209 | S | 46.2 | Very low | 48.3 | Very low | 123 Ų | 123 | 123.5 Ų | 123.5 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | 67.7 | 119.7 | 121.4 | 58.6 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 210 | G | 46.5 | Very low | 48.5 | Very low | 78 Ų | 78 | 129.3 Ų | 129.3 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -158.7 | 138.5 | 152.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 211 | A | 42.6 | Very low | 48.6 | Very low | 103 Ų | 103 | 125.9 Ų | 125.9 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 152.1 | -156.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | G213 | A211-G213 PolarHBondContact O-N 2.86Š|
| 212 | T | 51.3 | Low | 48.6 | Very low | 146 Ų | 146 | 123 Ų | 123 | 90% | 0.896 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 119.2 | 176.2 | -42.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 213 | G | 45.5 | Very low | 48.5 | Very low | 61 Ų | 61 | 125.7 Ų | 125.7 | 63% | 0.629 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 146.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A211 | A211-G213 PolarHBondContact O-N 2.86Š|
| 214 | Y | 48.5 | Very low | 49.4 | Very low | 222 Ų | 222 | 122.4 Ų | 122.4 | 87% | 0.871 | 81% | 0.806 | S | S | * | * | trans | -42.2 | 153.7 | -169 | -60.5 | -89.8 | 0 | 0 | 0 | 118.5 | G216 | Y214-G216 PolarHBondContact O-N 2.85Š| ||
| 215 | P | 62.1 | Low | 49.7 | Very low | 124 Ų | 124 | 119.4 Ų | 119.4 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 134.5 | 171 | -20 | 30.7 | 0 | 0 | 0 | 111.6 | ||
| 216 | G | 48.4 | Very low | 50 | Low | 71 Ų | 71 | 127.9 Ų | 127.9 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 139.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y214 | Y214-G216 PolarHBondContact O-N 2.85Š|
| 217 | E | 51.2 | Low | 50.9 | Low | 178 Ų | 178 | 128 Ų | 128 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 132.3 | 175.4 | -70.9 | -178.2 | 141.6 | 0 | 0 | 110.9 | G219 | E217-G219 PolarHBondContact O-N 2.93Š|
| 218 | P | 64.1 | Low | 51.6 | Low | 124 Ų | 124 | 128.2 Ų | 128.2 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -53 | 131.9 | 167.1 | -25.2 | 34.2 | 0 | 0 | 0 | 110.5 | K220 | P218-K220 PolarHBondContact O-N 3.39Š|
| 219 | G | 51.8 | Low | 52.2 | Low | 71 Ų | 71 | 123 Ų | 123 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 132.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E217 S221 | E217-G219 PolarHBondContact O-N 2.93Å; G219-S221 PolarHBondContact O-N 3.46Å; G219-S221 VanDerWaalsContact O-N 3.1Å |
| 220 | K | 47.6 | Very low | 53 | Low | 198 Ų | 198 | 123.4 Ų | 123.4 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 116.6 | 175.7 | -64.7 | 177.8 | -178.8 | 178.9 | 0 | 109.1 | P218 G222 | P218-K220 PolarHBondContact O-N 3.39Å; K220-G222 PolarHBondContact O-N 2.83Å |
| 221 | S | 53.7 | Low | 53.5 | Low | 119 Ų | 119 | 123 Ų | 123 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 135.8 | 170.3 | -59.9 | 0 | 0 | 0 | 0 | 109.5 | G219 | G219-S221 PolarHBondContact O-N 3.46Å; G219-S221 VanDerWaalsContact O-N 3.1Å |
| 222 | G | 52 | Low | 53.9 | Low | 70 Ų | 70 | 123.2 Ų | 123.2 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 140.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | K220 P224 | K220-G222 PolarHBondContact O-N 2.83Å; G222-P224 WeakPolarHBondContact O-CD 3.23Å |
| 223 | T | 47.3 | Very low | 54 | Low | 132 Ų | 132 | 125.2 Ų | 125.2 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -57 | 126.6 | 171.8 | 48.3 | 0 | 0 | 0 | 0 | 109.1 | G225 | T223-G225 PolarHBondContact O-N 3.45Š|
| 224 | P | 64.3 | Low | 54.3 | Low | 123 Ų | 123 | 125.3 Ų | 125.3 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 138.1 | 167.4 | -26 | 35 | 0 | 0 | 0 | 110.1 | G222 | G222-P224 WeakPolarHBondContact O-CD 3.23Š|
| 225 | G | 53.5 | Low | 54.3 | Low | 66 Ų | 66 | 123.8 Ų | 123.8 | 68% | 0.68 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -54 | 143 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T223 D227 | T223-G225 PolarHBondContact O-N 3.45Å; G225-D227 PolarHBondContact O-N 3.13Å; G225-D227 VanDerWaalsContact O-N 3.17Å |
| 226 | R | 53.4 | Low | 54.3 | Low | 249 Ų | 249 | 124 Ų | 124 | 94% | 0.94 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 120.8 | 171.8 | -107.9 | 178.5 | 159.6 | 178.9 | -5.5 | 109.2 | G228 | R226-G228 PolarHBondContact O-N 3.11Š|
| 227 | D | 60.2 | Low | 54.4 | Low | 162 Ų | 162 | 123.6 Ų | 123.6 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -55 | 131.6 | 166.7 | -69 | -35.7 | 0 | 0 | 0 | 109.2 | G225 | G225-D227 PolarHBondContact O-N 3.13Å; G225-D227 VanDerWaalsContact O-N 3.17Å |
| 228 | G | 54.2 | Low | 54.4 | Low | 69 Ų | 69 | 121.5 Ų | 121.5 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 142.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R226 | R226-G228 PolarHBondContact O-N 3.11Š|
| 229 | A | 52 | Low | 54.1 | Low | 95 Ų | 95 | 125.3 Ų | 125.3 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 134.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | G231 | A229-G231 PolarHBondContact O-N 2.64Š|
| 230 | P | 63.5 | Low | 53.6 | Low | 130 Ų | 130 | 124.7 Ų | 124.7 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 125.9 | 173 | -24 | 33.1 | 0 | 0 | 0 | 110.3 | ||
| 231 | G | 57.3 | Low | 53.4 | Low | 71 Ų | 71 | 124.6 Ų | 124.6 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 146.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A229 M233 | A229-G231 PolarHBondContact O-N 2.64Å; G231-M233 PolarHBondContact O-N 3.18Å |
| 232 | A | 50.3 | Low | 53.2 | Low | 107 Ų | 107 | 126.6 Ų | 126.6 | 88% | 0.884 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 123.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | G234 | A232-G234 PolarHBondContact O-N 3.49Š|
| 233 | M | 52.4 | Low | 52.5 | Low | 188 Ų | 188 | 126.7 Ų | 126.7 | 93% | 0.926 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 121.5 | 175 | -171.7 | 178.8 | -70.5 | 0 | 0 | 109.2 | G231 | G231-M233 PolarHBondContact O-N 3.18Š|
| 234 | G | 52.4 | Low | 52.2 | Low | 62 Ų | 62 | 128.5 Ų | 128.5 | 64% | 0.639 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 144.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A232 | A232-G234 PolarHBondContact O-N 3.49Š|
| 235 | Q | 47.6 | Very low | 51.2 | Low | 190 Ų | 190 | 128.8 Ų | 128.8 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 132.8 | 175.5 | -67.5 | -175.2 | 0.7 | 0 | 0 | 110.5 | G237 | Q235-G237 PolarHBondContact O-N 2.95Š|
| 236 | P | 63.4 | Low | 50.4 | Low | 128 Ų | 128 | 129.3 Ų | 129.3 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 126.8 | 172.1 | -24.4 | 33.7 | 0 | 0 | 0 | 110.9 | ||
| 237 | G | 49.9 | Very low | 50 | Low | 64 Ų | 64 | 124.9 Ų | 124.9 | 66% | 0.66 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 148.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q235 K239 | Q235-G237 PolarHBondContact O-N 2.95Å; G237-K239 PolarHBondContact O-N 3.39Å |
| 238 | P | 51 | Low | 49 | Very low | 133 Ų | 133 | 120.6 Ų | 120.6 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 128.2 | 178 | 24.5 | -32.1 | 0 | 0 | 0 | 110.2 | G240 | P238-G240 PolarHBondContact O-N 3.1Š|
| 239 | K | 57.2 | Low | 48.5 | Very low | 204 Ų | 204 | 122 Ų | 122 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 128 | 177.5 | -166.3 | 175.3 | -177.7 | 179 | 0 | 109.6 | G237 | G237-K239 PolarHBondContact O-N 3.39Š|
| 240 | G | 41.9 | Very low | 48.2 | Very low | 59 Ų | 59 | 123.7 Ų | 123.7 | 61% | 0.608 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 147.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | P238 N242 | P238-G240 PolarHBondContact O-N 3.1Å; G240-N242 PolarHBondContact O-N 2.86Å |
| 241 | H | 43.9 | Very low | 47.1 | Very low | 196 Ų | 196 | 121 Ų | 121 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 122.7 | 175.2 | -66.1 | 76.9 | 0 | 0 | 0 | 109.8 | ||
| 242 | N | 48.8 | Very low | 46.6 | Very low | 160 Ų | 160 | 128.2 Ų | 128.2 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 127.4 | 166.1 | -82.1 | 14.1 | 0 | 0 | 0 | 109.1 | G240 | G240-N242 PolarHBondContact O-N 2.86Š|
| 243 | G | 38.1 | Very low | 46.4 | Very low | 72 Ų | 72 | 128.9 Ų | 128.9 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -73 | 151 | -180 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 244 | N | 41.2 | Very low | 46.2 | Very low | 170 Ų | 170 | 123.5 Ų | 123.5 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 142.1 | 177.4 | -66.5 | -32.6 | 0 | 0 | 0 | 112.8 | ||
| 245 | P | 43.1 | Very low | 46 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 84% | 0.844 | 83% | 0.831 | S | S | * | * | trans | -137.4 | 145 | 130.6 | 29.4 | -13.2 | 0 | 0 | 0 | 110.3 | ||||
| 246 | G | 37.1 | Very low | 45.9 | Very low | 76 Ų | 76 | 129.2 Ų | 129.2 | 78% | 0.784 | 83% | 0.83 | S | S | * | * | cis | -177.7 | 162.8 | 5.6 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 247 | V | 44.8 | Very low | 45.3 | Very low | 157 Ų | 157 | 126.2 Ų | 126.2 | 95% | 0.952 | 82% | 0.823 | S | S | * | * | trans | -66.2 | 143 | -160.9 | -178.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 248 | G | 39 | Very low | 44.9 | Very low | 72 Ų | 72 | 128.6 Ų | 128.6 | 74% | 0.742 | 83% | 0.83 | S | S | * | * | trans | -176.7 | 94.2 | 159.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 249 | A | 43.5 | Very low | 45.2 | Very low | 99 Ų | 99 | 128.2 Ų | 128.2 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -78.3 | 140.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 250 | P | 44.7 | Very low | 44.8 | Very low | 130 Ų | 130 | 121.9 Ų | 121.9 | 84% | 0.844 | 82% | 0.819 | S | S | * | * | -151.1 | 146.4 | 113.1 | 28.4 | -7.7 | 0 | 0 | 0 | 117.1 | |||||
| 251 | G | 41.6 | Very low | 45 | Very low | 74 Ų | 74 | 127.4 Ų | 127.4 | 76% | 0.763 | 83% | 0.832 | S | S | * | * | trans | 100.8 | 109.4 | 145.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | S253 | G251-S253 PolarHBondContact O-N 2.85Š| ||
| 252 | K | 46.6 | Very low | 45.9 | Very low | 222 Ų | 222 | 123.8 Ų | 123.8 | 97% | 0.965 | 83% | 0.826 | S | S | * | * | trans | -76.8 | 114.7 | 168.6 | -67 | -179.3 | 178.2 | -177.1 | 0 | 110.2 | ||||
| 253 | S | 45.9 | Very low | 46 | Very low | 121 Ų | 121 | 119.6 Ų | 119.6 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | trans | -100.6 | 140.5 | 167.3 | -59.8 | 0 | 0 | 0 | 0 | 110.1 | G251 | G251-S253 PolarHBondContact O-N 2.85Š| ||
| 254 | G | 48.4 | Very low | 46.7 | Very low | 75 Ų | 75 | 123.8 Ų | 123.8 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | trans | -63 | 158 | -160.9 | 0 | 0 | 0 | 0 | 0 | 117 | N256 | G254-N256 PolarHBondContact O-N 2.85Å; G254-N256 VanDerWaalsContact O-N 3.12Å | ||
| 255 | E | 48.7 | Very low | 47.5 | Very low | 209 Ų | 209 | 124.5 Ų | 124.5 | 98% | 0.977 | 83% | 0.826 | S | S | * | * | trans | -56.1 | 110.2 | 176.7 | -73.3 | 178 | 145 | 0 | 0 | 111.1 | ||||
| 256 | N | 45.8 | Very low | 48.2 | Very low | 162 Ų | 162 | 120.9 Ų | 120.9 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 133.4 | 167.5 | -143.8 | 9.8 | 0 | 0 | 0 | 108.1 | G254 | G254-N256 PolarHBondContact O-N 2.85Å; G254-N256 VanDerWaalsContact O-N 3.12Å |
| 257 | G | 49.1 | Very low | 49.2 | Very low | 65 Ų | 65 | 123.6 Ų | 123.6 | 67% | 0.67 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 146.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | P259 | G257-P259 WeakPolarHBondContact O-CD 3.37Š|
| 258 | S | 41.5 | Very low | 50 | Low | 115 Ų | 115 | 125.7 Ų | 125.7 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 122.8 | 178.5 | 51 | 0 | 0 | 0 | 0 | 111.8 | G260 | S258-G260 PolarHBondContact O-N 3.18Š|
| 259 | P | 57.3 | Low | 50.8 | Low | 124 Ų | 124 | 124.8 Ų | 124.8 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 135.6 | 169.7 | -21.9 | 33 | 0 | 0 | 0 | 110.6 | G257 | G257-P259 WeakPolarHBondContact O-CD 3.37Š|
| 260 | G | 50.8 | Low | 51.4 | Low | 71 Ų | 71 | 126.3 Ų | 126.3 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 140.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S258 | S258-G260 PolarHBondContact O-N 3.18Š|
| 261 | M | 45.3 | Very low | 52.2 | Low | 176 Ų | 176 | 128.8 Ų | 128.8 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 128.7 | 175.8 | -87.3 | 167.5 | 57.7 | 0 | 0 | 110.5 | G263 | M261-G263 PolarHBondContact O-N 3.21Š|
| 262 | P | 62.2 | Low | 52.7 | Low | 120 Ų | 120 | 128.2 Ų | 128.2 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 130.6 | 169.7 | -21.4 | 31.9 | 0 | 0 | 0 | 109.8 | ||
| 263 | G | 52.3 | Low | 52.8 | Low | 71 Ų | 71 | 126.7 Ų | 126.7 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -57 | 144 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | M261 M265 | M261-G263 PolarHBondContact O-N 3.21Å; G263-M265 PolarHBondContact O-N 3.43Å; G263-M265 VanDerWaalsContact O-N 3.12Å |
| 264 | N | 51.9 | Low | 53.7 | Low | 161 Ų | 161 | 125.5 Ų | 125.5 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 120.2 | 179.5 | -71.6 | -17 | 0 | 0 | 0 | 110.3 | G266 | N264-G266 PolarHBondContact O-N 2.86Š|
| 265 | M | 58.6 | Low | 53.8 | Low | 185 Ų | 185 | 125.5 Ų | 125.5 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 124.2 | 173.3 | -176.4 | 168.7 | 59 | 0 | 0 | 108.9 | G263 | G263-M265 PolarHBondContact O-N 3.43Å; G263-M265 VanDerWaalsContact O-N 3.12Å |
| 266 | G | 57.8 | Low | 54 | Low | 54 Ų | 54 | 124.3 Ų | 124.3 | 56% | 0.557 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 148.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | N264 K268 | N264-G266 PolarHBondContact O-N 2.86Å; G266-K268 PolarHBondContact O-N 3.47Å |
| 267 | P | 57.2 | Low | 55 | Low | 133 Ų | 133 | 122.4 Ų | 122.4 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 126.9 | -179.1 | 23 | -32.2 | 0 | 0 | 0 | 109.6 | G269 | P267-G269 PolarHBondContact O-N 2.9Å; P267-G269 VanDerWaalsContact O-N 3.16Å |
| 268 | K | 61.4 | Low | 55.1 | Low | 200 Ų | 200 | 122.8 Ų | 122.8 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 122.4 | 173.5 | -175 | 178.4 | 179.6 | -178 | 0 | 107.7 | G266 | G266-K268 PolarHBondContact O-N 3.47Š|
| 269 | G | 55.8 | Low | 55.6 | Low | 53 Ų | 53 | 121.7 Ų | 121.7 | 55% | 0.546 | 79% | 0.785 | S | S | . | * | P | Polyproline II helix | trans | -52.3 | 145.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111 | P267 Q271 | P267-G269 PolarHBondContact O-N 2.9Å; P267-G269 VanDerWaalsContact O-N 3.16Å; G269-Q271 PolarHBondContact O-N 3.41Å |
| 270 | P | 55.7 | Low | 56.1 | Low | 131 Ų | 131 | 121.9 Ų | 121.9 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 131.7 | -179.3 | 22.7 | -31.9 | 0 | 0 | 0 | 109.4 | G272 | P270-G272 PolarHBondContact O-N 2.82Š|
| 271 | Q | 62.8 | Low | 56 | Low | 182 Ų | 182 | 121.9 Ų | 121.9 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 121.2 | 174.6 | -179.9 | 174.4 | -34.5 | 0 | 0 | 108.1 | G269 H273 | G269-Q271 PolarHBondContact O-N 3.41Å; Q271-H273 PolarHBondContact O-N 2.79Å |
| 272 | G | 50.7 | Low | 56.2 | Low | 63 Ų | 63 | 121.2 Ų | 121.2 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 137.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | P270 A274 | P270-G272 PolarHBondContact O-N 2.82Å; G272-A274 PolarHBondContact O-N 2.77Å |
| 273 | H | 50.6 | Low | 55.6 | Low | 190 Ų | 190 | 120.9 Ų | 120.9 | 88% | 0.88 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 134 | 178 | -66.5 | -76.9 | 0 | 0 | 0 | 110.3 | Q271 G275 | Q271-H273 PolarHBondContact O-N 2.79Å; H273-G275 PolarHBondContact O-N 3.46Å |
| 274 | A | 63.4 | Low | 55.1 | Low | 96 Ų | 96 | 121.3 Ų | 121.3 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 130.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | G272 Q276 | G272-A274 PolarHBondContact O-N 2.77Å; A274-Q276 PolarHBondContact O-N 3.44Å |
| 275 | G | 50.3 | Low | 54.9 | Low | 74 Ų | 74 | 120.2 Ų | 120.2 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 130.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | H273 | H273-G275 PolarHBondContact O-N 3.46Š|
| 276 | Q | 53.2 | Low | 54.1 | Low | 184 Ų | 184 | 114.7 Ų | 114.7 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 138.2 | 175.7 | -74.4 | -173.1 | -14.9 | 0 | 0 | 109.9 | A274 G278 | A274-Q276 PolarHBondContact O-N 3.44Å; Q276-G278 PolarHBondContact O-N 3.29Å |
| 277 | P | 67.9 | Low | 53.4 | Low | 123 Ų | 123 | 121.2 Ų | 121.2 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 131.7 | 166.9 | -22.5 | 32.8 | 0 | 0 | 0 | 109.8 | A279 | P277-A279 PolarHBondContact O-N 3.32Š|
| 278 | G | 50.8 | Low | 53.2 | Low | 72 Ų | 72 | 121.1 Ų | 121.1 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 139.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q276 | Q276-G278 PolarHBondContact O-N 3.29Š|
| 279 | A | 50.9 | Low | 52.4 | Low | 93 Ų | 93 | 115 Ų | 115 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 140.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | P277 G281 | P277-A279 PolarHBondContact O-N 3.32Å; A279-G281 PolarHBondContact O-N 3.36Å |
| 280 | P | 68.4 | Low | 52 | Low | 127 Ų | 127 | 117.4 Ų | 117.4 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 131.8 | 170.9 | -23.2 | 32.7 | 0 | 0 | 0 | 110.6 | I282 | P280-I282 PolarHBondContact O-N 3.18Š|
| 281 | G | 48.2 | Very low | 51.8 | Low | 71 Ų | 71 | 119 Ų | 119 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 135.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A279 | A279-G281 PolarHBondContact O-N 3.36Š|
| 282 | I | 50.1 | Low | 51 | Low | 163 Ų | 163 | 113.9 Ų | 113.9 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 128.8 | 177.5 | -36.9 | 168.3 | 0 | 0 | 0 | 108.6 | P280 G284 | P280-I282 PolarHBondContact O-N 3.18Å; I282-G284 PolarHBondContact O-N 3.5Å |
| 283 | P | 50.6 | Low | 51 | Low | 113 Ų | 113 | 119.2 Ų | 119.2 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 120 | 171.5 | -23.7 | 33.7 | 0 | 0 | 0 | 110.5 | V285 | P283-V285 PolarHBondContact O-N 2.76Å; P283-V285 VanDerWaalsContact O-N 3.14Å |
| 284 | G | 41.7 | Very low | 51.3 | Low | 79 Ų | 79 | 116 Ų | 116 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | trans | -63.7 | 111.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I282 G286 | I282-G284 PolarHBondContact O-N 3.5Å; G284-G286 VanDerWaalsContact C-N 3.3Å; G284-G286 PolarHBondContact O-N 3.12Å; G284-G286 VanDerWaalsContact O-N 3.09Å | ||
| 285 | V | 46.8 | Very low | 50.7 | Low | 139 Ų | 139 | 115.1 Ų | 115.1 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | trans | -79.4 | 83.9 | 164.9 | -176 | 0 | 0 | 0 | 0 | 107.8 | P283 K287 | P283-V285 PolarHBondContact O-N 2.76Å; P283-V285 VanDerWaalsContact O-N 3.14Å; V285-K287 PolarHBondContact O-N 3.47Å | ||
| 286 | G | 41.7 | Very low | 50.6 | Low | 68 Ų | 68 | 119.6 Ų | 119.6 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | trans | -76.4 | 111.6 | 169 | 0 | 0 | 0 | 0 | 0 | 110.3 | G284 | G284-G286 VanDerWaalsContact C-N 3.3Å; G284-G286 PolarHBondContact O-N 3.12Å; G284-G286 VanDerWaalsContact O-N 3.09Å | ||
| 287 | K | 43.8 | Very low | 50.4 | Low | 192 Ų | 192 | 122.6 Ų | 122.6 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 132.4 | 162.7 | -69.1 | -178.8 | 178.4 | -178.7 | 0 | 108.6 | V285 G289 | V285-K287 PolarHBondContact O-N 3.47Å; K287-G289 PolarHBondContact O-N 2.79Å |
| 288 | P | 52.1 | Low | 49.4 | Very low | 130 Ų | 130 | 120 Ų | 120 | 84% | 0.844 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 133.1 | 170.7 | -23.4 | 33.4 | 0 | 0 | 0 | 111 | ||
| 289 | G | 45.2 | Very low | 49 | Very low | 72 Ų | 72 | 122.1 Ų | 122.1 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 144.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K287 | K287-G289 PolarHBondContact O-N 2.79Š|
| 290 | A | 46.4 | Very low | 48.9 | Very low | 103 Ų | 103 | 123.7 Ų | 123.7 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 139.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111 | G292 | A290-G292 PolarHBondContact O-N 3.28Š|
| 291 | N | 51.5 | Low | 47.8 | Very low | 164 Ų | 164 | 121.4 Ų | 121.4 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -56 | 134.2 | 174.4 | -83.6 | -1.3 | 0 | 0 | 0 | 111.2 | ||
| 292 | G | 47.7 | Very low | 47.5 | Very low | 75 Ų | 75 | 125 Ų | 125 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 140.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | A290 | A290-G292 PolarHBondContact O-N 3.28Š|
| 293 | M | 48.9 | Very low | 46.9 | Very low | 176 Ų | 176 | 123.1 Ų | 123.1 | 87% | 0.867 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 141.1 | 171.9 | -77.1 | 177.7 | 61.1 | 0 | 0 | 111.2 | ||
| 294 | P | 57.2 | Low | 46.7 | Very low | 122 Ų | 122 | 121.3 Ų | 121.3 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 136.1 | 169.8 | -19.3 | 31.5 | 0 | 0 | 0 | 111.4 | ||
| 295 | G | 50.9 | Low | 46.6 | Very low | 78 Ų | 78 | 124.3 Ų | 124.3 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 142.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 296 | D | 49 | Very low | 46.2 | Very low | 167 Ų | 167 | 125 Ų | 125 | 89% | 0.893 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 139.1 | 176.4 | -73.7 | -43 | 0 | 0 | 0 | 112.4 | ||
| 297 | R | 49.3 | Very low | 46.4 | Very low | 247 Ų | 247 | 124.8 Ų | 124.8 | 93% | 0.932 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 129.2 | -177.7 | -176.5 | -178.7 | -120.9 | 163.1 | -2.2 | 111.1 | ||
| 298 | G | 46 | Very low | 46 | Very low | 70 Ų | 70 | 125 Ų | 125 | 72% | 0.722 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 142.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 299 | S | 42.8 | Very low | 45.4 | Very low | 116 Ų | 116 | 129 Ų | 129 | 81% | 0.811 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 140.9 | 174.3 | 44.1 | 0 | 0 | 0 | 0 | 111.7 | ||
| 300 | P | 48.7 | Very low | 45.3 | Very low | 125 Ų | 125 | 128.7 Ų | 128.7 | 81% | 0.812 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 145.9 | -179.1 | -18.4 | 31.8 | 0 | 0 | 0 | 113.8 | ||
| 301 | G | 46.2 | Very low | 45.2 | Very low | 80 Ų | 80 | 132.9 Ų | 132.9 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 153.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 302 | T | 40 | Very low | 44.5 | Very low | 145 Ų | 145 | 131.2 Ų | 131.2 | 89% | 0.89 | 83% | 0.833 | S | S | * | * | trans | -116.1 | 140.5 | 172.5 | 47.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 303 | S | 39 | Very low | 44.3 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 87% | 0.867 | 83% | 0.827 | S | S | * | * | trans | -71.5 | 156.6 | -168.8 | -56 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 304 | G | 45.7 | Very low | 44.3 | Very low | 75 Ų | 75 | 128.2 Ų | 128.2 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | trans | -80.4 | 171.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 305 | T | 40.3 | Very low | 43.6 | Very low | 143 Ų | 143 | 129.5 Ų | 129.5 | 88% | 0.877 | 83% | 0.83 | S | S | * | * | trans | -131.2 | 114.7 | 169.8 | 47.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 306 | T | 37.1 | Very low | 43.2 | Very low | 153 Ų | 153 | 129 Ų | 129 | 94% | 0.939 | 83% | 0.825 | S | S | * | * | trans | -65 | 145.9 | 156.2 | -46.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 307 | G | 46.7 | Very low | 42.7 | Very low | 63 Ų | 63 | 132.1 Ų | 132.1 | 65% | 0.649 | 83% | 0.826 | S | S | * | * | cis | 163 | 143.9 | -2.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 308 | Q | 36.1 | Very low | 42.4 | Very low | 197 Ų | 197 | 127.2 Ų | 127.2 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | trans | -151.3 | 116.6 | 158.7 | -76.7 | -155.6 | 18.8 | 0 | 0 | 112.2 | ||||
| 309 | K | 38.7 | Very low | 42.4 | Very low | 213 Ų | 213 | 127.2 Ų | 127.2 | 93% | 0.926 | 82% | 0.823 | S | S | * | * | trans | 28.7 | 131.4 | 138.2 | -143.4 | 179.2 | -171.3 | -173.2 | 0 | 118.4 | ||||
| 310 | G | 43.8 | Very low | 42.3 | Very low | 67 Ų | 67 | 126.9 Ų | 126.9 | 69% | 0.691 | 83% | 0.827 | S | S | * | * | cis | 144 | 102.7 | 9.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 311 | E | 43.1 | Very low | 42.1 | Very low | 190 Ų | 190 | 127.7 Ų | 127.7 | 89% | 0.888 | 83% | 0.831 | S | S | * | * | trans | 100.4 | 144.1 | 131.5 | -85.5 | -169.8 | 167.7 | 0 | 0 | 115.4 | ||||
| 312 | P | 37.8 | Very low | 42.1 | Very low | 130 Ų | 130 | 126.8 Ų | 126.8 | 84% | 0.844 | 82% | 0.821 | S | S | * | * | cis | -127.4 | 151.7 | 48.9 | 14 | 11.1 | 0 | 0 | 0 | 117.3 | ||||
| 313 | G | 42.9 | Very low | 42.3 | Very low | 63 Ų | 63 | 125.1 Ų | 125.1 | 65% | 0.649 | 82% | 0.822 | S | S | * | * | trans | -95.6 | -160.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 314 | P | 49.3 | Very low | 42.6 | Very low | 124 Ų | 124 | 125.9 Ų | 125.9 | 81% | 0.805 | 82% | 0.821 | S | S | * | * | -124.1 | 155.1 | -64.6 | 36.1 | -25.3 | 0 | 0 | 0 | 111.9 | |||||
| 315 | T | 41.9 | Very low | 42.6 | Very low | 149 Ų | 149 | 125.3 Ų | 125.3 | 91% | 0.914 | 82% | 0.815 | S | S | * | * | trans | -109.9 | 124.5 | 157.2 | -54.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 316 | G | 42.6 | Very low | 42.8 | Very low | 67 Ų | 67 | 127.1 Ų | 127.1 | 69% | 0.691 | 82% | 0.819 | S | S | * | * | trans | -66.8 | 155 | -159.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 317 | Y | 39.6 | Very low | 43.1 | Very low | 233 Ų | 233 | 128.3 Ų | 128.3 | 91% | 0.914 | 82% | 0.816 | S | S | * | * | trans | -74.7 | 141.5 | -177.2 | -68.4 | -91 | 0 | 0 | 0 | 113.9 | ||||
| 318 | T | 41.9 | Very low | 43.5 | Very low | 145 Ų | 145 | 127.9 Ų | 127.9 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | trans | -115.8 | 128.9 | 150.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 319 | G | 45.5 | Very low | 44.4 | Very low | 69 Ų | 69 | 124.7 Ų | 124.7 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 142 | -163.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | T321 | G319-T321 PolarHBondContact O-N 2.94Š|
| 320 | A | 41.5 | Very low | 45.1 | Very low | 109 Ų | 109 | 118.9 Ų | 118.9 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 116.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 321 | T | 44.2 | Very low | 45.6 | Very low | 143 Ų | 143 | 118.6 Ų | 118.6 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 149.1 | 167.5 | -55 | 0 | 0 | 0 | 0 | 108.9 | G319 | G319-T321 PolarHBondContact O-N 2.94Š|
| 322 | G | 46.9 | Very low | 46 | Very low | 60 Ų | 60 | 116 Ų | 116 | 62% | 0.619 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 158.8 | -157.8 | 0 | 0 | 0 | 0 | 0 | 118 | T324 | G322-T324 PolarHBondContact O-N 2.93Š|
| 323 | A | 44.1 | Very low | 46.7 | Very low | 111 Ų | 111 | 118.5 Ų | 118.5 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | trans | -57 | 105.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 324 | T | 45.5 | Very low | 47.1 | Very low | 139 Ų | 139 | 118.4 Ų | 118.4 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -61.9 | 133.3 | 166.7 | -49.5 | 0 | 0 | 0 | 0 | 109.1 | G322 | G322-T324 PolarHBondContact O-N 2.93Š| ||
| 325 | G | 45.3 | Very low | 47 | Very low | 63 Ų | 63 | 117.4 Ų | 117.4 | 65% | 0.649 | 80% | 0.798 | S | S | * | * | trans | -52.3 | 148.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | M327 | G325-M327 PolarHBondContact O-N 2.88Š| ||
| 326 | L | 43.7 | Very low | 47.5 | Very low | 182 Ų | 182 | 121.4 Ų | 121.4 | 95% | 0.953 | 80% | 0.796 | S | S | * | * | trans | -51.1 | 113.5 | 179.7 | -70.3 | 169.8 | 0 | 0 | 0 | 110.6 | G328 | L326-G328 PolarHBondContact O-N 2.99Š| ||
| 327 | M | 43.2 | Very low | 47.7 | Very low | 177 Ų | 177 | 121.3 Ų | 121.3 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 130.6 | 169.2 | -174.9 | 168.1 | 64.8 | 0 | 0 | 108.4 | G325 | G325-M327 PolarHBondContact O-N 2.88Š|
| 328 | G | 54.9 | Low | 47.9 | Very low | 54 Ų | 54 | 120.2 Ų | 120.2 | 56% | 0.557 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 149.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L326 A330 | L326-G328 PolarHBondContact O-N 2.99Å; G328-A330 PolarHBondContact O-N 2.81Å |
| 329 | P | 56.2 | Low | 48.4 | Very low | 131 Ų | 131 | 122.4 Ų | 122.4 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 133.5 | -177.3 | 22 | -32 | 0 | 0 | 0 | 110.3 | G331 | P329-G331 PolarHBondContact O-N 2.91Š|
| 330 | A | 53.1 | Low | 48.6 | Very low | 91 Ų | 91 | 122.2 Ų | 122.2 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 136.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | G328 | G328-A330 PolarHBondContact O-N 2.81Š|
| 331 | G | 54.4 | Low | 49 | Very low | 61 Ų | 61 | 125.9 Ų | 125.9 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 146.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | P329 Q333 | P329-G331 PolarHBondContact O-N 2.91Å; G331-Q333 PolarHBondContact O-N 3.48Å; G331-Q333 VanDerWaalsContact O-N 3.16Å |
| 332 | P | 51.9 | Low | 49.6 | Very low | 134 Ų | 134 | 125.1 Ų | 125.1 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 126.1 | -175 | 21.2 | -31.9 | 0 | 0 | 0 | 110.1 | G334 | P332-G334 PolarHBondContact O-N 2.76Š|
| 333 | Q | 52.5 | Low | 49.9 | Very low | 184 Ų | 184 | 125.8 Ų | 125.8 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 123.9 | 174.3 | -176.5 | 176 | -54.2 | 0 | 0 | 108.5 | G331 A335 | G331-Q333 PolarHBondContact O-N 3.48Å; G331-Q333 VanDerWaalsContact O-N 3.16Å; Q333-A335 PolarHBondContact O-N 2.88Å |
| 334 | G | 50.7 | Low | 50 | Low | 61 Ų | 61 | 127.7 Ų | 127.7 | 63% | 0.629 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 137.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | P332 R336 | P332-G334 PolarHBondContact O-N 2.76Å; G334-R336 PolarHBondContact O-N 3.33Å |
| 335 | A | 47.1 | Very low | 50.2 | Low | 103 Ų | 103 | 130.2 Ų | 130.2 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 127.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q333 G337 | Q333-A335 PolarHBondContact O-N 2.88Å; A335-G337 PolarHBondContact O-N 3.2Å |
| 336 | R | 51.6 | Low | 50.5 | Low | 232 Ų | 232 | 130.4 Ų | 130.4 | 88% | 0.875 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 122.3 | 172.1 | -170.5 | 178.6 | -167.6 | 177.1 | 2.9 | 107.6 | G334 F338 | G334-R336 PolarHBondContact O-N 3.33Å; R336-F338 PolarHBondContact O-N 3.32Å |
| 337 | G | 48.6 | Very low | 50.4 | Low | 66 Ų | 66 | 127.4 Ų | 127.4 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 137.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | A335 Q339 | A335-G337 PolarHBondContact O-N 3.2Å; G337-Q339 PolarHBondContact O-N 2.8Å |
| 338 | F | 43.9 | Very low | 50.6 | Low | 209 Ų | 209 | 128.7 Ų | 128.7 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 134.1 | 176.6 | -70.9 | -85.9 | 0 | 0 | 0 | 110.4 | R336 G340 | R336-F338 PolarHBondContact O-N 3.32Å; F338-G340 PolarHBondContact O-N 2.82Å |
| 339 | Q | 50.7 | Low | 50.4 | Low | 192 Ų | 192 | 129.3 Ų | 129.3 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 124.5 | 169.3 | -178.3 | 174.3 | -7.2 | 0 | 0 | 108.1 | G337 | G337-Q339 PolarHBondContact O-N 2.8Š|
| 340 | G | 51.3 | Low | 49.8 | Very low | 64 Ų | 64 | 130.9 Ų | 130.9 | 66% | 0.66 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 137.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | F338 | F338-G340 PolarHBondContact O-N 2.82Š|
| 341 | E | 49.9 | Very low | 49.4 | Very low | 187 Ų | 187 | 133.3 Ų | 133.3 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 139.5 | 171.8 | -78.8 | -178.7 | 125.6 | 0 | 0 | 110.6 | G343 | E341-G343 PolarHBondContact O-N 2.85Š|
| 342 | P | 56.7 | Low | 48.9 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 129.3 | 169 | -22.8 | 33.3 | 0 | 0 | 0 | 110.5 | V344 | P342-V344 PolarHBondContact O-N 2.99Š|
| 343 | G | 51.8 | Low | 48.4 | Very low | 75 Ų | 75 | 136.2 Ų | 136.2 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 135.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | E341 Q345 | E341-G343 PolarHBondContact O-N 2.85Å; G343-Q345 PolarHBondContact O-N 3.45Å |
| 344 | V | 46 | Very low | 47.8 | Very low | 151 Ų | 151 | 135.9 Ų | 135.9 | 92% | 0.915 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -54 | 126 | 171 | -98.5 | 0 | 0 | 0 | 0 | 110.5 | P342 G346 | P342-V344 PolarHBondContact O-N 2.99Å; V344-G346 PolarHBondContact O-N 3.47Å |
| 345 | Q | 50 | Low | 47.5 | Very low | 192 Ų | 192 | 136.2 Ų | 136.2 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 120.1 | 174.9 | -179.9 | 176 | -11.6 | 0 | 0 | 110 | G343 | G343-Q345 PolarHBondContact O-N 3.45Š|
| 346 | G | 51.2 | Low | 47.2 | Very low | 66 Ų | 66 | 135.8 Ų | 135.8 | 68% | 0.68 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 139.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | V344 K348 | V344-G346 PolarHBondContact O-N 3.47Å; G346-K348 PolarHBondContact O-N 2.82Å |
| 347 | S | 42.8 | Very low | 47 | Very low | 120 Ų | 120 | 131.2 Ų | 131.2 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 133.3 | 171.4 | 41.9 | 0 | 0 | 0 | 0 | 110.6 | G349 | S347-G349 PolarHBondContact O-N 2.84Š|
| 348 | K | 47.5 | Very low | 46.8 | Very low | 204 Ų | 204 | 131.8 Ų | 131.8 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 121.3 | 175.4 | -176.1 | 179.4 | -178.8 | -179.1 | 0 | 109.6 | G346 | G346-K348 PolarHBondContact O-N 2.82Š|
| 349 | G | 51.4 | Low | 46.7 | Very low | 66 Ų | 66 | 127 Ų | 127 | 68% | 0.68 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 139.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S347 | S347-G349 PolarHBondContact O-N 2.84Š|
| 350 | D | 42.3 | Very low | 46.2 | Very low | 164 Ų | 164 | 128 Ų | 128 | 88% | 0.877 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 142.4 | 173.1 | -70 | -47.7 | 0 | 0 | 0 | 111.6 | G352 | D350-G352 PolarHBondContact O-N 3.24Š|
| 351 | V | 44.4 | Very low | 46.1 | Very low | 143 Ų | 143 | 128.3 Ų | 128.3 | 87% | 0.867 | 83% | 0.828 | S | S | * | * | trans | -65 | 113.8 | -177.2 | 174.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 352 | G | 45.7 | Very low | 45.4 | Very low | 70 Ų | 70 | 126.6 Ų | 126.6 | 72% | 0.722 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -75 | 134.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D350 | D350-G352 PolarHBondContact O-N 3.24Š|
| 353 | M | 39.4 | Very low | 44.5 | Very low | 186 Ų | 186 | 130.8 Ų | 130.8 | 92% | 0.916 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 144.2 | -179.5 | -72.8 | 173.3 | 53.7 | 0 | 0 | 113.7 | G355 | M353-G355 PolarHBondContact O-N 2.83Š|
| 354 | L | 40.4 | Very low | 44.5 | Very low | 177 Ų | 177 | 130 Ų | 130 | 93% | 0.927 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 120.6 | 178.6 | -176.3 | 68.7 | 0 | 0 | 0 | 113 | ||
| 355 | G | 45.8 | Very low | 44 | Very low | 67 Ų | 67 | 131.3 Ų | 131.3 | 69% | 0.691 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 141.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | M353 | M353-G355 PolarHBondContact O-N 2.83Š|
| 356 | A | 39.9 | Very low | 43.5 | Very low | 95 Ų | 95 | 131 Ų | 131 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 154.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 357 | P | 46.5 | Very low | 43.1 | Very low | 135 Ų | 135 | 131 Ų | 131 | 88% | 0.877 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 138.5 | -178.2 | -18.5 | 31.2 | 0 | 0 | 0 | 113.9 | ||
| 358 | G | 46.1 | Very low | 42.9 | Very low | 78 Ų | 78 | 134.7 Ų | 134.7 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 148 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 359 | A | 41.1 | Very low | 42.5 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 140.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 360 | K | 39.9 | Very low | 42 | Very low | 213 Ų | 213 | 134.3 Ų | 134.3 | 93% | 0.926 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 147 | -172.9 | -168.3 | 174.9 | -176.6 | 178.4 | 0 | 111.7 | ||
| 361 | G | 48.3 | Very low | 42 | Very low | 70 Ų | 70 | 137.4 Ų | 137.4 | 72% | 0.722 | 84% | 0.837 | S | S | * | * | trans | -82.2 | -173.4 | -160.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 362 | T | 35.7 | Very low | 42 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 93% | 0.926 | 84% | 0.835 | S | S | * | * | trans | -126.8 | 130.6 | 155.8 | 47 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 363 | K | 39.2 | Very low | 42.3 | Very low | 214 Ų | 214 | 135.7 Ų | 135.7 | 93% | 0.93 | 84% | 0.839 | S | S | * | * | trans | -90.3 | 147.1 | 173.7 | 170.2 | -173 | -178 | 179.1 | 0 | 106.4 | ||||
| 364 | G | 50.4 | Low | 42.5 | Very low | 58 Ų | 58 | 136.8 Ų | 136.8 | 60% | 0.598 | 84% | 0.839 | S | S | * | * | cis | 169 | 167.7 | 1.7 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 365 | D | 36.8 | Very low | 42.8 | Very low | 179 Ų | 179 | 132.9 Ų | 132.9 | 96% | 0.957 | 83% | 0.832 | S | S | * | * | trans | -160.4 | 157 | 150.3 | -92.9 | -25.6 | 0 | 0 | 0 | 110.2 | ||||
| 366 | Q | 38.3 | Very low | 43.1 | Very low | 186 Ų | 186 | 133 Ų | 133 | 87% | 0.869 | 83% | 0.834 | S | S | * | * | trans | -102.6 | 132.8 | -133.1 | 175.5 | -179.4 | -38.3 | 0 | 0 | 115.4 | ||||
| 367 | G | 43.8 | Very low | 43.3 | Very low | 66 Ų | 66 | 136.6 Ų | 136.6 | 68% | 0.68 | 84% | 0.837 | S | S | * | * | trans | 32.5 | 117 | 144.2 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 368 | H | 37.7 | Very low | 44.1 | Very low | 197 Ų | 197 | 135.6 Ų | 135.6 | 91% | 0.912 | 83% | 0.831 | S | S | * | * | trans | -119.4 | 143.1 | 145.4 | -72.7 | -66.1 | 0 | 0 | 0 | 111.6 | ||||
| 369 | Q | 40.6 | Very low | 44.7 | Very low | 183 Ų | 183 | 135.5 Ų | 135.5 | 86% | 0.855 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 141.3 | -167.3 | -158.1 | 170.3 | -18.9 | 0 | 0 | 116.3 | ||
| 370 | G | 40.9 | Very low | 45 | Very low | 79 Ų | 79 | 135.4 Ų | 135.4 | 81% | 0.814 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 137.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 371 | Y | 42 | Very low | 45.9 | Very low | 229 Ų | 229 | 130 Ų | 130 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 129.7 | 165.5 | -72.9 | -81.4 | 0 | 0 | 0 | 109.8 | ||
| 372 | A | 44.5 | Very low | 46.4 | Very low | 98 Ų | 98 | 129.6 Ų | 129.6 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -58 | 140.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K374 | A372-K374 PolarHBondContact O-N 3.48Š|
| 373 | G | 51.3 | Low | 47.4 | Very low | 79 Ų | 79 | 128.3 Ų | 128.3 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 131.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 374 | K | 42.7 | Very low | 48.6 | Very low | 209 Ų | 209 | 124.3 Ų | 124.3 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 128.6 | 173.9 | -67.1 | -172.1 | 177.6 | -171.5 | 0 | 109.9 | A372 | A372-K374 PolarHBondContact O-N 3.48Š|
| 375 | A | 46.6 | Very low | 49 | Very low | 95 Ų | 95 | 124.9 Ų | 124.9 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 146.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 376 | G | 53.5 | Low | 49.7 | Very low | 70 Ų | 70 | 121.6 Ų | 121.6 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 144.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P378 | G376-P378 VanDerWaalsContact O-CD 3.31Å; G376-P378 WeakPolarHBondContact O-CD 3.46Å |
| 377 | I | 43.9 | Very low | 50.5 | Low | 169 Ų | 169 | 119.2 Ų | 119.2 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 119.4 | -176.9 | -44 | 170.3 | 0 | 0 | 0 | 108.6 | ||
| 378 | P | 61.8 | Low | 50.9 | Low | 114 Ų | 114 | 118.9 Ų | 118.9 | 74% | 0.74 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 144.3 | 170.9 | -20.4 | 34.1 | 0 | 0 | 0 | 111.5 | G376 | G376-P378 VanDerWaalsContact O-CD 3.31Å; G376-P378 WeakPolarHBondContact O-CD 3.46Å |
| 379 | G | 58.8 | Low | 51.4 | Low | 76 Ų | 76 | 114.7 Ų | 114.7 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 148.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A381 | G379-A381 PolarHBondContact O-N 3.44Š|
| 380 | A | 49.1 | Very low | 51.9 | Low | 108 Ų | 108 | 112 Ų | 112 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -59 | 128.4 | 180 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 381 | A | 58 | Low | 52.2 | Low | 99 Ų | 99 | 111.4 Ų | 111.4 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 138.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | G379 | G379-A381 PolarHBondContact O-N 3.44Š|
| 382 | G | 58 | Low | 52.4 | Low | 62 Ų | 62 | 110 Ų | 110 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 149.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 383 | P | 58.3 | Low | 52.5 | Low | 125 Ų | 125 | 114.8 Ų | 114.8 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 137.1 | 179 | 24.7 | -32 | 0 | 0 | 0 | 111.3 | ||
| 384 | P | 64.7 | Low | 52 | Low | 129 Ų | 129 | 114.3 Ų | 114.3 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 140.6 | 173.6 | -23.9 | 33.5 | 0 | 0 | 0 | 112.4 | ||
| 385 | G | 57.4 | Low | 52.1 | Low | 70 Ų | 70 | 112.7 Ų | 112.7 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 146.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T387 | G385-T387 PolarHBondContact O-N 3.16Š|
| 386 | A | 50.9 | Low | 51.9 | Low | 110 Ų | 110 | 118.5 Ų | 118.5 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -64 | 121.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | G388 | A386-G388 PolarHBondContact O-N 2.98Š|
| 387 | T | 55.1 | Low | 51.6 | Low | 137 Ų | 137 | 118.8 Ų | 118.8 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 127.6 | 176.3 | -47.6 | 0 | 0 | 0 | 0 | 111 | G385 | G385-T387 PolarHBondContact O-N 3.16Š|
| 388 | G | 52.8 | Low | 51.3 | Low | 58 Ų | 58 | 115.9 Ų | 115.9 | 60% | 0.598 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 140.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A386 T390 | A386-G388 PolarHBondContact O-N 2.98Å; G388-T390 PolarHBondContact O-N 3.43Å; G388-T390 VanDerWaalsContact O-N 3.13Å |
| 389 | A | 47.8 | Very low | 50.5 | Low | 110 Ų | 110 | 120 Ų | 120 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | trans | -61.6 | 115 | 175 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 390 | T | 51.5 | Low | 49.9 | Very low | 126 Ų | 126 | 119 Ų | 119 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | -75.4 | 128.9 | 176.5 | -58.1 | 0 | 0 | 0 | 0 | 109.2 | G388 | G388-T390 PolarHBondContact O-N 3.43Å; G388-T390 VanDerWaalsContact O-N 3.13Å | ||
| 391 | G | 46.8 | Very low | 49.3 | Very low | 67 Ų | 67 | 123.7 Ų | 123.7 | 69% | 0.691 | 82% | 0.816 | S | S | * | * | trans | -64.4 | 141 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q393 | G391-Q393 PolarHBondContact O-N 3.15Š| ||
| 392 | H | 47.5 | Very low | 48.5 | Very low | 200 Ų | 200 | 123.8 Ų | 123.8 | 93% | 0.926 | 82% | 0.817 | S | S | * | * | trans | -68.9 | 114.3 | 175.9 | -68.1 | -66 | 0 | 0 | 0 | 110.7 | ||||
| 393 | Q | 45.5 | Very low | 48.1 | Very low | 197 Ų | 197 | 124.7 Ų | 124.7 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -76 | 136.4 | 169.3 | -170.4 | 173.2 | -9.8 | 0 | 0 | 109.8 | G391 | G391-Q393 PolarHBondContact O-N 3.15Š|
| 394 | G | 41.8 | Very low | 47.1 | Very low | 70 Ų | 70 | 124.2 Ų | 124.2 | 72% | 0.722 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 165.6 | -155.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 395 | N | 44.9 | Very low | 46.2 | Very low | 175 Ų | 175 | 123.9 Ų | 123.9 | 94% | 0.936 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 127.1 | 166.9 | -73 | -30.8 | 0 | 0 | 0 | 110.2 | ||
| 396 | K | 42.8 | Very low | 46 | Very low | 216 Ų | 216 | 124.3 Ų | 124.3 | 94% | 0.939 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 116.7 | 177 | -174.4 | 179.9 | -176.1 | 179.7 | 0 | 110.8 | ||
| 397 | G | 47 | Very low | 45.4 | Very low | 76 Ų | 76 | 128.1 Ų | 128.1 | 78% | 0.784 | 83% | 0.827 | S | S | * | * | trans | 95.7 | 105.7 | 136.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 398 | A | 36.8 | Very low | 45.1 | Very low | 108 Ų | 108 | 127 Ų | 127 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | trans | -139.3 | 130.5 | 136.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 399 | Q | 44.6 | Very low | 44.9 | Very low | 201 Ų | 201 | 127.6 Ų | 127.6 | 94% | 0.939 | 83% | 0.828 | S | S | * | * | trans | -88.2 | 127.6 | -174 | 174.3 | -179.7 | -45.2 | 0 | 0 | 111.4 | ||||
| 400 | G | 47.1 | Very low | 44.6 | Very low | 56 Ų | 56 | 128.3 Ų | 128.3 | 58% | 0.577 | 83% | 0.826 | S | S | * | * | trans | 85.5 | 125.1 | 145.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 401 | H | 37.3 | Very low | 44.1 | Very low | 205 Ų | 205 | 130.2 Ų | 130.2 | 95% | 0.949 | 83% | 0.832 | S | S | * | * | -163.9 | 153.5 | 129.3 | -82.9 | -50.3 | 0 | 0 | 0 | 110.4 | |||||
| 402 | A | 39.3 | Very low | 44.2 | Very low | 102 Ų | 102 | 130.5 Ų | 130.5 | 84% | 0.843 | 83% | 0.834 | S | S | * | * | trans | -67.6 | 158.7 | -160.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 403 | G | 51.5 | Low | 43.9 | Very low | 80 Ų | 80 | 129.7 Ų | 129.7 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | trans | -74.4 | 165.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 404 | S | 35.7 | Very low | 44.1 | Very low | 116 Ų | 116 | 125 Ų | 125 | 81% | 0.811 | 83% | 0.831 | S | S | * | * | trans | -158.4 | 165.1 | 167.8 | 72.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 405 | P | 45.9 | Very low | 44.4 | Very low | 122 Ų | 122 | 125.5 Ų | 125.5 | 79% | 0.792 | 84% | 0.836 | S | S | * | * | -100.5 | 155.1 | -99.1 | -7.9 | 29.4 | 0 | 0 | 0 | 114 | |||||
| 406 | G | 53.7 | Low | 44.6 | Very low | 78 Ų | 78 | 122.2 Ų | 122.2 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | trans | -71.3 | 147.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 407 | Q | 39.3 | Very low | 45 | Very low | 190 Ų | 190 | 122 Ų | 122 | 89% | 0.888 | 83% | 0.832 | S | S | * | * | trans | -138.1 | 153.1 | 171.7 | -110.2 | -160.6 | 4.2 | 0 | 0 | 110.5 | ||||
| 408 | P | 48.4 | Very low | 45.1 | Very low | 114 Ų | 114 | 121.2 Ų | 121.2 | 74% | 0.74 | 82% | 0.824 | S | S | * | * | -104.3 | 154.1 | -102.1 | -10 | 30.1 | 0 | 0 | 0 | 114.4 | |||||
| 409 | G | 49 | Very low | 45.4 | Very low | 70 Ų | 70 | 125 Ų | 125 | 72% | 0.722 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 146.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N411 | G409-N411 PolarHBondContact O-N 3.26Š|
| 410 | S | 41.5 | Very low | 46 | Very low | 126 Ų | 126 | 121.8 Ų | 121.8 | 88% | 0.881 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 119.7 | 162 | 41.9 | 0 | 0 | 0 | 0 | 109.3 | ||
| 411 | N | 40.9 | Very low | 46.1 | Very low | 166 Ų | 166 | 122.6 Ų | 122.6 | 89% | 0.888 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 141.2 | 175.5 | -82.1 | -13.7 | 0 | 0 | 0 | 112 | G409 | G409-N411 PolarHBondContact O-N 3.26Š|
| 412 | G | 47.5 | Very low | 46.6 | Very low | 72 Ų | 72 | 119.2 Ų | 119.2 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | trans | -79.4 | 175.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 413 | L | 41.7 | Very low | 47.6 | Very low | 184 Ų | 184 | 120.5 Ų | 120.5 | 96% | 0.963 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 135.3 | 161.4 | -73.9 | 173.3 | 0 | 0 | 0 | 110 | ||
| 414 | A | 50.2 | Low | 47.8 | Very low | 99 Ų | 99 | 120.5 Ų | 120.5 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -65 | 146.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 415 | G | 46.7 | Very low | 49.1 | Very low | 79 Ų | 79 | 118 Ų | 118 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 145.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 416 | A | 49.9 | Very low | 49.9 | Very low | 107 Ų | 107 | 118.5 Ų | 118.5 | 88% | 0.884 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 126.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 417 | K | 50.4 | Low | 50.2 | Low | 210 Ų | 210 | 118.4 Ų | 118.4 | 91% | 0.913 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -81 | 116.3 | 177.5 | -175.5 | 179.4 | -177.4 | 179.5 | 0 | 110.5 | ||
| 418 | G | 49.9 | Very low | 51 | Low | 60 Ų | 60 | 118.8 Ų | 118.8 | 62% | 0.619 | 82% | 0.815 | S | S | * | * | trans | 52.4 | 127.5 | 142.5 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 419 | H | 42.9 | Very low | 51.7 | Low | 189 Ų | 189 | 119.4 Ų | 119.4 | 88% | 0.875 | 82% | 0.819 | S | S | * | * | trans | -129.1 | 125.2 | 146.4 | -53.8 | -50.8 | 0 | 0 | 0 | 109.7 | ||||
| 420 | P | 56.4 | Low | 52.2 | Low | 133 Ų | 133 | 119.8 Ų | 119.8 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | trans | -74.3 | 128 | 169.1 | -13.8 | 28.8 | 0 | 0 | 0 | 112.7 | ||||
| 421 | G | 49.6 | Very low | 52.9 | Low | 72 Ų | 72 | 123 Ų | 123 | 74% | 0.742 | 83% | 0.825 | S | S | * | * | trans | 64.8 | 124.8 | 139 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 422 | T | 49 | Very low | 53.5 | Low | 135 Ų | 135 | 120.9 Ų | 120.9 | 83% | 0.828 | 82% | 0.823 | S | S | * | * | trans | -134.8 | 129.5 | 134.7 | 49.1 | 0 | 0 | 0 | 0 | 109.7 | G424 | T422-G424 PolarHBondContact O-N 2.77Š| ||
| 423 | P | 60.2 | Low | 53.8 | Low | 129 Ų | 129 | 121.2 Ų | 121.2 | 84% | 0.838 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 128.1 | 170.1 | -21.6 | 33.1 | 0 | 0 | 0 | 110.8 | G425 | P423-G425 PolarHBondContact O-N 3.36Š|
| 424 | G | 55.4 | Low | 54.5 | Low | 80 Ų | 80 | 120 Ų | 120 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 125.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | T422 | T422-G424 PolarHBondContact O-N 2.77Š|
| 425 | G | 63.3 | Low | 55 | Low | 64 Ų | 64 | 121.1 Ų | 121.1 | 66% | 0.66 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 168.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | P423 G427 | P423-G425 PolarHBondContact O-N 3.36Å; G425-G427 PolarHBondContact O-N 2.89Å |
| 426 | P | 61.9 | Low | 55.4 | Low | 131 Ų | 131 | 121.1 Ų | 121.1 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 132.8 | -175.3 | -20.9 | 31.7 | 0 | 0 | 0 | 112.7 | K428 | P426-K428 PolarHBondContact O-N 3.28Š|
| 427 | G | 59.3 | Low | 55.5 | Low | 77 Ų | 77 | 122.7 Ų | 122.7 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 130.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.1 | G425 | G425-G427 PolarHBondContact O-N 2.89Š|
| 428 | K | 57.2 | Low | 56.1 | Low | 197 Ų | 197 | 123.9 Ų | 123.9 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 142.4 | 177.3 | -58.6 | -177.8 | -179.3 | -174.2 | 0 | 110.2 | P426 G430 | P426-K428 PolarHBondContact O-N 3.28Å; K428-G430 PolarHBondContact O-N 2.94Å |
| 429 | P | 62.8 | Low | 56.5 | Low | 128 Ų | 128 | 123.7 Ų | 123.7 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -56 | 132.5 | 172.3 | -22.4 | 32.6 | 0 | 0 | 0 | 110.9 | ||
| 430 | G | 59.1 | Low | 57 | Low | 78 Ų | 78 | 120.9 Ų | 120.9 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 133.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | K428 | K428-G430 PolarHBondContact O-N 2.94Š|
| 431 | E | 57.3 | Low | 57.4 | Low | 194 Ų | 194 | 121 Ų | 121 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 145.6 | 173.7 | -75.9 | 177.7 | 143.7 | 0 | 0 | 112.1 | G433 | E431-G433 PolarHBondContact O-N 3.14Š|
| 432 | S | 53.1 | Low | 57.9 | Low | 121 Ų | 121 | 120 Ų | 120 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 127.7 | 176.5 | -58 | 0 | 0 | 0 | 0 | 112.1 | ||
| 433 | G | 53.4 | Low | 58 | Low | 78 Ų | 78 | 119.9 Ų | 119.9 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 140 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E431 | E431-G433 PolarHBondContact O-N 3.14Š|
| 434 | I | 56.4 | Low | 58.1 | Low | 160 Ų | 160 | 119.5 Ų | 119.5 | 82% | 0.821 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 144.7 | -172 | -37.2 | 166.1 | 0 | 0 | 0 | 111 | G436 | I434-G436 PolarHBondContact O-N 2.85Š|
| 435 | P | 61 | Low | 58.3 | Low | 121 Ų | 121 | 118.7 Ų | 118.7 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 132.1 | 174.9 | -25.2 | 34 | 0 | 0 | 0 | 112.9 | ||
| 436 | G | 55.3 | Low | 57.8 | Low | 79 Ų | 79 | 121.8 Ų | 121.8 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 133.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I434 | I434-G436 PolarHBondContact O-N 2.85Š|
| 437 | T | 52.4 | Low | 57.7 | Low | 141 Ų | 141 | 120.3 Ų | 120.3 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 141.9 | 174.1 | 46.2 | 0 | 0 | 0 | 0 | 111.3 | G439 | T437-G439 PolarHBondContact O-N 2.91Š|
| 438 | R | 62.3 | Low | 57.6 | Low | 235 Ų | 235 | 120.1 Ų | 120.1 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 125 | 175.6 | -177.1 | 176.9 | -179.3 | 176.9 | 1 | 110.4 | ||
| 439 | G | 59.1 | Low | 57.3 | Low | 55 Ų | 55 | 120 Ų | 120 | 57% | 0.567 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 147.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T437 | T437-G439 PolarHBondContact O-N 2.91Š|
| 440 | P | 51.6 | Low | 57 | Low | 131 Ų | 131 | 118.6 Ų | 118.6 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 142.9 | -179.3 | 26.4 | -33.5 | 0 | 0 | 0 | 111.2 | G442 | P440-G442 PolarHBondContact O-N 3.28Š|
| 441 | V | 66.1 | Low | 56.7 | Low | 134 Ų | 134 | 118.3 Ų | 118.3 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 126.4 | 172.9 | 177.1 | 0 | 0 | 0 | 0 | 108.5 | ||
| 442 | G | 58.7 | Low | 56.3 | Low | 53 Ų | 53 | 117.5 Ų | 117.5 | 55% | 0.546 | 80% | 0.798 | S | S | . | * | P | Polyproline II helix | trans | -58.7 | 144.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | P440 S444 | P440-G442 PolarHBondContact O-N 3.28Å; G442-S444 PolarHBondContact O-N 3.48Å |
| 443 | P | 52.8 | Low | 56.4 | Low | 131 Ų | 131 | 123.2 Ų | 123.2 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 134.8 | -177.8 | 24.9 | -33 | 0 | 0 | 0 | 110.4 | G445 | P443-G445 PolarHBondContact O-N 3.38Š|
| 444 | S | 62.4 | Low | 56.5 | Low | 121 Ų | 121 | 122.7 Ų | 122.7 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 129.3 | 171.7 | -58.1 | 0 | 0 | 0 | 0 | 109.6 | G442 | G442-S444 PolarHBondContact O-N 3.48Š|
| 445 | G | 58.9 | Low | 56.1 | Low | 63 Ų | 63 | 124.2 Ų | 124.2 | 65% | 0.649 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 147.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | P443 A447 | P443-G445 PolarHBondContact O-N 3.38Å; G445-A447 PolarHBondContact O-N 3.17Å |
| 446 | P | 52 | Low | 55.8 | Low | 130 Ų | 130 | 123.1 Ų | 123.1 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 132.8 | -179.1 | 23.6 | -32.2 | 0 | 0 | 0 | 110 | G448 | P446-G448 PolarHBondContact O-N 3.34Š|
| 447 | A | 60 | Low | 55.6 | Low | 99 Ų | 99 | 122.8 Ų | 122.8 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 128.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | G445 Q449 | G445-A447 PolarHBondContact O-N 3.17Å; A447-Q449 PolarHBondContact O-N 3.33Å |
| 448 | G | 57.3 | Low | 55.4 | Low | 73 Ų | 73 | 124.1 Ų | 124.1 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 140.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | P446 A450 | P446-G448 PolarHBondContact O-N 3.34Å; G448-A450 PolarHBondContact O-N 3.05Å |
| 449 | Q | 50.5 | Low | 55.4 | Low | 196 Ų | 196 | 118.8 Ų | 118.8 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 130.7 | 177.4 | -83.3 | -178 | -13.3 | 0 | 0 | 110.3 | A447 G451 | A447-Q449 PolarHBondContact O-N 3.33Å; Q449-G451 PolarHBondContact O-N 3.11Å |
| 450 | A | 56.8 | Low | 55 | Low | 98 Ų | 98 | 119.6 Ų | 119.6 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 123.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | G448 L452 | G448-A450 PolarHBondContact O-N 3.05Å; A450-L452 PolarHBondContact O-N 2.85Å |
| 451 | G | 53.7 | Low | 55.1 | Low | 71 Ų | 71 | 117.9 Ų | 117.9 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 136.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111 | Q449 R453 | Q449-G451 PolarHBondContact O-N 3.11Å; G451-R453 PolarHBondContact O-N 3.12Å; G451-R453 VanDerWaalsContact O-N 3.12Å |
| 452 | L | 47.9 | Very low | 54.8 | Low | 178 Ų | 178 | 117.8 Ų | 117.8 | 93% | 0.932 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 119.3 | 176.8 | -70.9 | 167.8 | 0 | 0 | 0 | 109.4 | A450 G454 | A450-L452 PolarHBondContact O-N 2.85Å; L452-G454 PolarHBondContact O-N 3.49Å |
| 453 | R | 55.9 | Low | 54.5 | Low | 240 Ų | 240 | 118.3 Ų | 118.3 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 119.4 | 176.5 | -167.2 | 178.2 | -168 | 173.7 | 3.6 | 108.2 | G451 H455 | G451-R453 PolarHBondContact O-N 3.12Å; G451-R453 VanDerWaalsContact O-N 3.12Å; R453-H455 PolarHBondContact O-N 3.45Å |
| 454 | G | 54.4 | Low | 54.2 | Low | 67 Ų | 67 | 118.5 Ų | 118.5 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 138.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L452 A456 | L452-G454 PolarHBondContact O-N 3.49Å; G454-A456 PolarHBondContact O-N 3.34Å |
| 455 | H | 49 | Very low | 53.3 | Low | 192 Ų | 192 | 117.9 Ų | 117.9 | 89% | 0.889 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 135.2 | 178.2 | -63.4 | -71.5 | 0 | 0 | 0 | 110.7 | R453 G457 | R453-H455 PolarHBondContact O-N 3.45Å; H455-G457 PolarHBondContact O-N 2.81Å |
| 456 | A | 54.7 | Low | 52.6 | Low | 99 Ų | 99 | 118 Ų | 118 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 129.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | G454 L458 | G454-A456 PolarHBondContact O-N 3.34Å; A456-L458 PolarHBondContact O-N 2.93Å |
| 457 | G | 50.2 | Low | 52.1 | Low | 71 Ų | 71 | 121.6 Ų | 121.6 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -59 | 136.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | H455 | H455-G457 PolarHBondContact O-N 2.81Š|
| 458 | L | 49.6 | Very low | 51.5 | Low | 170 Ų | 170 | 126 Ų | 126 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 134.9 | 177 | -70.7 | 166.1 | 0 | 0 | 0 | 110.2 | A456 G460 | A456-L458 PolarHBondContact O-N 2.93Å; L458-G460 PolarHBondContact O-N 3.29Å |
| 459 | P | 61.5 | Low | 50.7 | Low | 123 Ų | 123 | 127.4 Ų | 127.4 | 80% | 0.799 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 133.8 | 175.8 | -24 | 33.2 | 0 | 0 | 0 | 111.6 | ||
| 460 | G | 51.6 | Low | 50.8 | Low | 71 Ų | 71 | 128.6 Ų | 128.6 | 73% | 0.732 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 142.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | L458 | L458-G460 PolarHBondContact O-N 3.29Š|
| 461 | A | 52.2 | Low | 50.3 | Low | 96 Ų | 96 | 127.3 Ų | 127.3 | 79% | 0.793 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 139.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G463 | A461-G463 PolarHBondContact O-N 3.09Š|
| 462 | P | 61.1 | Low | 49.7 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 128.6 | 177 | -24.2 | 33.3 | 0 | 0 | 0 | 112 | ||
| 463 | G | 51.1 | Low | 49.8 | Very low | 64 Ų | 64 | 130.5 Ų | 130.5 | 66% | 0.66 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 150.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A461 | A461-G463 PolarHBondContact O-N 3.09Š|
| 464 | P | 47.9 | Very low | 49.8 | Very low | 135 Ų | 135 | 122 Ų | 122 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 142.7 | -179.2 | 26.5 | -32 | 0 | 0 | 0 | 111.9 | G466 | P464-G466 PolarHBondContact O-N 2.93Š|
| 465 | A | 42.4 | Very low | 49.8 | Very low | 108 Ų | 108 | 124.9 Ų | 124.9 | 89% | 0.893 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 119.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 466 | G | 45.7 | Very low | 50.6 | Low | 66 Ų | 66 | 124.2 Ų | 124.2 | 68% | 0.68 | 82% | 0.824 | S | S | * | * | trans | 82.6 | 122.5 | 134.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | P464 | P464-G466 PolarHBondContact O-N 2.93Š| ||
| 467 | Q | 40.7 | Very low | 50.9 | Low | 206 Ų | 206 | 122 Ų | 122 | 96% | 0.963 | 81% | 0.811 | S | S | * | * | -168.3 | 145.8 | 121.7 | -101.7 | 168.4 | 26.9 | 0 | 0 | 112.1 | |||||
| 468 | M | 47.3 | Very low | 51.1 | Low | 192 Ų | 192 | 124.5 Ų | 124.5 | 95% | 0.946 | 81% | 0.814 | S | S | * | * | trans | -62 | 137.7 | -166 | -73.3 | 160.9 | 57.5 | 0 | 0 | 115.9 | ||||
| 469 | A | 41.3 | Very low | 52 | Low | 101 Ų | 101 | 122.1 Ų | 122.1 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | -166.8 | 134.8 | 130.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 470 | K | 51.2 | Low | 51.9 | Low | 222 Ų | 222 | 119.7 Ų | 119.7 | 97% | 0.965 | 81% | 0.806 | S | S | * | * | trans | -75.8 | 119.3 | -179.1 | -168.2 | -179.3 | -171.7 | -179.2 | 0 | 109.4 | ||||
| 471 | G | 45.9 | Very low | 51.9 | Low | 70 Ų | 70 | 120.8 Ų | 120.8 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | 155.4 | 115.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 472 | M | 41.4 | Very low | 52.6 | Low | 194 Ų | 194 | 122.1 Ų | 122.1 | 96% | 0.956 | 81% | 0.809 | S | S | * | * | trans | 72.7 | 109.7 | 165.5 | -62 | -176.6 | 153.8 | 0 | 0 | 118 | G474 | M472-G474 PolarHBondContact O-N 2.89Š| ||
| 473 | S | 50.8 | Low | 52.6 | Low | 122 Ų | 122 | 119.3 Ų | 119.3 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -58.2 | 115.3 | 163 | 49.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 474 | G | 55.4 | Low | 52.8 | Low | 61 Ų | 61 | 121.8 Ų | 121.8 | 63% | 0.629 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -60 | 149.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | M472 M476 | M472-G474 PolarHBondContact O-N 2.89Å; G474-M476 PolarHBondContact O-N 2.92Å |
| 475 | P | 55.2 | Low | 53.6 | Low | 129 Ų | 129 | 124.8 Ų | 124.8 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 134.6 | -178.9 | 23.7 | -32.6 | 0 | 0 | 0 | 110.3 | G477 | P475-G477 PolarHBondContact O-N 2.82Š|
| 476 | M | 65 | Low | 54.8 | Low | 178 Ų | 178 | 122.5 Ų | 122.5 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 122.6 | 174 | -178.4 | 168.8 | 60.8 | 0 | 0 | 109 | G474 | G474-M476 PolarHBondContact O-N 2.92Š|
| 477 | G | 60.6 | Low | 55.5 | Low | 53 Ų | 53 | 127 Ų | 127 | 55% | 0.546 | 80% | 0.8 | S | S | . | * | P | Polyproline II helix | trans | -56.5 | 145.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | P475 | P475-G477 PolarHBondContact O-N 2.82Š|
| 478 | P | 55.1 | Low | 56.9 | Low | 122 Ų | 122 | 122.7 Ų | 122.7 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 139.5 | -177.8 | 22.4 | -31.8 | 0 | 0 | 0 | 110.1 | G480 | P478-G480 PolarHBondContact O-N 3.26Š|
| 479 | P | 68.1 | Low | 57.5 | Low | 121 Ų | 121 | 116.7 Ų | 116.7 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 133.3 | 174.6 | -26.5 | 33.6 | 0 | 0 | 0 | 110.4 | A481 | P479-A481 PolarHBondContact O-N 3.32Š|
| 480 | G | 60.4 | Low | 58.4 | Low | 71 Ų | 71 | 119.4 Ų | 119.4 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 137.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | P478 | P478-G480 PolarHBondContact O-N 3.26Š|
| 481 | A | 51.1 | Low | 59.3 | Low | 94 Ų | 94 | 114.9 Ų | 114.9 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 131.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | P479 G483 | P479-A481 PolarHBondContact O-N 3.32Å; A481-G483 PolarHBondContact O-N 3.36Å |
| 482 | P | 65.9 | Low | 60.2 | Low | 124 Ų | 124 | 114.8 Ų | 114.8 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 132.2 | 174.5 | -25.6 | 33.5 | 0 | 0 | 0 | 110 | S484 | P482-S484 PolarHBondContact O-N 2.96Š|
| 483 | G | 62.7 | Low | 61.2 | Low | 72 Ų | 72 | 110.4 Ų | 110.4 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 141.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | A481 R485 | A481-G483 PolarHBondContact O-N 3.36Å; G483-R485 PolarHBondContact O-N 2.88Å |
| 484 | S | 54.5 | Low | 61.9 | Low | 116 Ų | 116 | 113.3 Ų | 113.3 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 127.3 | 179 | 51.9 | 0 | 0 | 0 | 0 | 110.4 | P482 G486 | P482-S484 PolarHBondContact O-N 2.96Å; S484-G486 PolarHBondContact O-N 2.97Å; S484-G486 VanDerWaalsContact O-N 3.14Å |
| 485 | R | 65.1 | Low | 62.1 | Low | 199 Ų | 199 | 112.7 Ų | 112.7 | 75% | 0.751 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 121.6 | 173.9 | -179.2 | 174 | 172.5 | 165 | -4.7 | 108.1 | G483 D488 | G483-R485 PolarHBondContact O-N 2.88Å; R485-D488 IonicContact CZ-OD1 3.5Å; R485-D488 IonicContact NE-OD1 3.26Å; R485-D488 PolarHBondContact NE-OD1 2.98Å; R485-D488 IonicContact NH2-OD1 2.88Å; R485-D488 PolarHBondContact NH2-OD1 3.49Å; R485-D488 IonicContact NH2-OD2 3.55Å |
| 486 | G | 66.5 | Low | 62.6 | Low | 59 Ų | 59 | 112.3 Ų | 112.3 | 61% | 0.608 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 143.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | S484 D488 | S484-G486 PolarHBondContact O-N 2.97Å; S484-G486 VanDerWaalsContact O-N 3.14Å; G486-D488 PolarHBondContact O-N 3.33Å |
| 487 | N | 60.7 | Low | 62.8 | Low | 162 Ų | 162 | 109.9 Ų | 109.9 | 87% | 0.866 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 126.3 | 179.2 | -64.5 | -20.8 | 0 | 0 | 0 | 109.6 | G489 | N487-G489 PolarHBondContact O-N 3.02Š|
| 488 | D | 70.1 | Confident | 62.6 | Low | 115 Ų | 115 | 110.2 Ų | 110.2 | 62% | 0.615 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 131.1 | 175.1 | -64.7 | -42.6 | 0 | 0 | 0 | 107.8 | R485 G486 | R485-D488 IonicContact CZ-OD1 3.5Å; R485-D488 IonicContact NE-OD1 3.26Å; R485-D488 PolarHBondContact NE-OD1 2.98Å; R485-D488 IonicContact NH2-OD1 2.88Å; R485-D488 PolarHBondContact NH2-OD1 3.49Å; R485-D488 IonicContact NH2-OD2 3.55Å; G486-D488 PolarHBondContact O-N 3.33Å |
| 489 | G | 60.5 | Low | 63.2 | Low | 66 Ų | 66 | 110 Ų | 110 | 68% | 0.68 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 144.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | N487 | N487-G489 PolarHBondContact O-N 3.02Š|
| 490 | N | 60.9 | Low | 63.1 | Low | 158 Ų | 158 | 110.4 Ų | 110.4 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 131.5 | 175.4 | -71.2 | -28.4 | 0 | 0 | 0 | 109.7 | G492 | N490-G492 PolarHBondContact O-N 2.79Š|
| 491 | P | 69 | Low | 62.6 | Low | 126 Ų | 126 | 109.9 Ų | 109.9 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 131.6 | 174.9 | -26.7 | 33.9 | 0 | 0 | 0 | 109.6 | ||
| 492 | G | 65 | Low | 63.2 | Low | 69 Ų | 69 | 111.1 Ų | 111.1 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 149.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | N490 M494 | N490-G492 PolarHBondContact O-N 2.79Å; G492-M494 PolarHBondContact O-N 3.09Å |
| 493 | A | 61.7 | Low | 62.9 | Low | 102 Ų | 102 | 111.2 Ų | 111.2 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 132.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | G495 | A493-G495 PolarHBondContact O-N 3.31Å; A493-G495 VanDerWaalsContact O-N 3.12Å |
| 494 | M | 65.8 | Low | 61.9 | Low | 182 Ų | 182 | 111.3 Ų | 111.3 | 90% | 0.897 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 122.3 | 177.3 | -175.2 | 166.9 | 62.5 | 0 | 0 | 108.3 | G492 | G492-M494 PolarHBondContact O-N 3.09Š|
| 495 | G | 60.8 | Low | 61.5 | Low | 49 Ų | 49 | 114.1 Ų | 114.1 | 51% | 0.505 | 75% | 0.751 | S | S | . | * | P | Polyproline II helix | trans | -56.1 | 151 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | A493 | A493-G495 PolarHBondContact O-N 3.31Å; A493-G495 VanDerWaalsContact O-N 3.12Å |
| 496 | P | 65 | Low | 60.7 | Low | 121 Ų | 121 | 111.9 Ų | 111.9 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 142.3 | 173.6 | 23.7 | -32.4 | 0 | 0 | 0 | 109.4 | G498 | P496-G498 PolarHBondContact O-N 2.88Š|
| 497 | P | 70.3 | Confident | 59.2 | Low | 126 Ų | 126 | 114 Ų | 114 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -48 | 130.3 | 173 | -26.4 | 33.7 | 0 | 0 | 0 | 109.6 | ||
| 498 | G | 55.6 | Low | 58.3 | Low | 61 Ų | 61 | 114 Ų | 114 | 63% | 0.629 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 146.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | P496 | P496-G498 PolarHBondContact O-N 2.88Š|
| 499 | P | 67.1 | Low | 56.7 | Low | 118 Ų | 118 | 116.9 Ų | 116.9 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 144.5 | 171.5 | 24.3 | -32.6 | 0 | 0 | 0 | 109 | G501 | P499-G501 PolarHBondContact O-N 2.91Š|
| 500 | P | 67 | Low | 55.6 | Low | 129 Ų | 129 | 122 Ų | 122 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | trans | -45.9 | 127.7 | 173.7 | -27.3 | 34 | 0 | 0 | 0 | 109.6 | ||||
| 501 | G | 49.9 | Very low | 54.6 | Low | 60 Ų | 60 | 122.9 Ų | 122.9 | 62% | 0.619 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 147.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | P499 | P499-G501 PolarHBondContact O-N 2.91Š|
| 502 | P | 63.7 | Low | 53.2 | Low | 120 Ų | 120 | 127.2 Ų | 127.2 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 145.1 | 170.4 | 24.5 | -32.3 | 0 | 0 | 0 | 109 | G504 | P502-G504 PolarHBondContact O-N 3.47Š|
| 503 | P | 58.3 | Low | 52 | Low | 125 Ų | 125 | 129.3 Ų | 129.3 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -46.4 | 127.6 | 173.2 | -25.5 | 32.9 | 0 | 0 | 0 | 109.5 | E505 | P503-E505 PolarHBondContact O-N 2.86Š|
| 504 | G | 41.9 | Very low | 50.6 | Low | 74 Ų | 74 | 132.9 Ų | 132.9 | 76% | 0.763 | 77% | 0.766 | S | S | * | * | trans | -56.2 | 113.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | P502 M506 | P502-G504 PolarHBondContact O-N 3.47Å; G504-M506 PolarHBondContact O-N 2.92Å | ||
| 505 | E | 46.1 | Very low | 49.5 | Very low | 175 Ų | 175 | 130.3 Ų | 130.3 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -73.6 | 117.6 | 171 | -161.9 | 172.8 | -165 | 0 | 0 | 107.3 | P503 V507 | P503-E505 PolarHBondContact O-N 2.86Å; E505-V507 VanDerWaalsContact C-N 3.27Å; E505-V507 PolarHBondContact O-N 3.45Å | ||
| 506 | M | 49 | Very low | 48.3 | Very low | 153 Ų | 153 | 136 Ų | 136 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | trans | -69 | 88.3 | 173.6 | -73 | 171.5 | -83.8 | 0 | 0 | 108.5 | G504 Y508 | G504-M506 PolarHBondContact O-N 2.92Å; M506-Y508 PolarHBondContact O-N 2.9Å | ||
| 507 | V | 35.6 | Very low | 47 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 62% | 0.624 | 78% | 0.783 | S | S | * | * | trans | -72.9 | 99 | 172.6 | -177.4 | 0 | 0 | 0 | 0 | 107.9 | E505 H509 | E505-V507 VanDerWaalsContact C-N 3.27Å; E505-V507 PolarHBondContact O-N 3.45Å; V507-H509 PolarHBondContact O-N 3.49Å; V507-H509 VanDerWaalsContact O-N 3.14Å | ||
| 508 | Y | 41.2 | Very low | 45.6 | Very low | 162 Ų | 162 | 138.3 Ų | 138.3 | 64% | 0.635 | 78% | 0.777 | S | S | * | * | trans | -65.1 | 109.2 | 162.7 | -70.5 | -87.2 | 0 | 0 | 0 | 108.1 | M506 H510 | M506-Y508 PolarHBondContact O-N 2.9Å; Y508-H510 VanDerWaalsContact C-N 3.28Å; Y508-H510 PolarHBondContact O-N 3.34Å | ||
| 509 | H | 35.5 | Very low | 44.7 | Very low | 175 Ų | 175 | 144.2 Ų | 144.2 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -63.3 | 93.8 | 163.4 | -84.2 | -67.3 | 0 | 0 | 0 | 108.5 | V507 E511 | V507-H509 PolarHBondContact O-N 3.49Å; V507-H509 VanDerWaalsContact O-N 3.14Å; H509-E511 VanDerWaalsContact C-N 3.33Å; H509-E511 PolarHBondContact O-N 3.38Å | ||
| 510 | H | 37.6 | Very low | 43.6 | Very low | 174 Ų | 174 | 148 Ų | 148 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | -67.8 | 98.1 | 159.4 | -88.7 | 62.2 | 0 | 0 | 0 | 107.1 | Y508 K512 | Y508-H510 VanDerWaalsContact C-N 3.28Å; Y508-H510 PolarHBondContact O-N 3.34Å; H510-K512 PolarHBondContact O-N 3.1Å | ||
| 511 | E | 40.4 | Very low | 42.1 | Very low | 177 Ų | 177 | 148.4 Ų | 148.4 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | -57.1 | 130.4 | 166.2 | -79.1 | -166.7 | 140.2 | 0 | 0 | 109.6 | H509 S513 | H509-E511 VanDerWaalsContact C-N 3.33Å; H509-E511 PolarHBondContact O-N 3.38Å; E511-S513 PolarHBondContact O-N 3.37Å | ||
| 512 | K | 39.8 | Very low | 41.7 | Very low | 217 Ų | 217 | 154.4 Ų | 154.4 | 94% | 0.943 | 80% | 0.804 | S | S | * | * | trans | -58.4 | 105.7 | 169.2 | -77 | 174.2 | 175.3 | 174.3 | 0 | 109.2 | H510 | H510-K512 PolarHBondContact O-N 3.1Š| ||
| 513 | S | 38.8 | Very low | 40.6 | Very low | 113 Ų | 113 | 155.7 Ų | 155.7 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -113.3 | 138.3 | 157.7 | 52.6 | 0 | 0 | 0 | 0 | 109.8 | E511 | E511-S513 PolarHBondContact O-N 3.37Š| ||
| 514 | M | 33.9 | Very low | 39.9 | Very low | 177 Ų | 177 | 154.9 Ų | 154.9 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | -60.1 | 156.2 | -174.9 | -79.7 | -175 | -107.8 | 0 | 0 | 113.2 | I516 | M514-I516 PolarHBondContact O-N 3.31Š| ||
| 515 | P | 41.5 | Very low | 39.9 | Very low | 127 Ų | 127 | 160.4 Ų | 160.4 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -79.3 | 118.2 | -171.1 | 31.6 | -31.4 | 0 | 0 | 0 | 111 | ||||
| 516 | I | 35.5 | Very low | 39.9 | Very low | 168 Ų | 168 | 160.6 Ų | 160.6 | 86% | 0.862 | 80% | 0.802 | S | S | * | * | trans | -107.8 | 129 | 158.8 | -59.6 | 179.6 | 0 | 0 | 0 | 107.8 | M514 S518 | M514-I516 PolarHBondContact O-N 3.31Å; I516-S518 PolarHBondContact O-N 3.39Å | ||
| 517 | K | 37.4 | Very low | 39.8 | Very low | 195 Ų | 195 | 159.9 Ų | 159.9 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | trans | -56.3 | 122.7 | -168.1 | -69.9 | 171 | 173.6 | 176.5 | 0 | 113.6 | ||||
| 518 | S | 42.6 | Very low | 40.7 | Very low | 101 Ų | 101 | 164.1 Ų | 164.1 | 71% | 0.706 | 81% | 0.814 | S | S | * | * | trans | 22.6 | 100.3 | 136.8 | 61.1 | 0 | 0 | 0 | 0 | 118.3 | I516 | I516-S518 PolarHBondContact O-N 3.39Š| ||
| 519 | H | 34.8 | Very low | 41.7 | Very low | 185 Ų | 185 | 164.2 Ų | 164.2 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | -140.3 | 126.4 | 126.7 | -109 | 41.5 | 0 | 0 | 0 | 108.5 | I521 | H519-I521 PolarHBondContact O-N 3.47Å; H519-I521 VanDerWaalsContact O-N 3.1Å | |||
| 520 | E | 43.9 | Very low | 43.4 | Very low | 199 Ų | 199 | 159.2 Ų | 159.2 | 93% | 0.93 | 81% | 0.807 | S | S | * | * | trans | -54.9 | 109.7 | 177.7 | -73.4 | 169.3 | 131.1 | 0 | 0 | 110.3 | ||||
| 521 | I | 37.4 | Very low | 45.5 | Very low | 137 Ų | 137 | 154 Ų | 154 | 70% | 0.703 | 79% | 0.789 | S | S | * | * | trans | -110 | 102.5 | 150.3 | -61.1 | 176.7 | 0 | 0 | 0 | 104.5 | H519 M523 | H519-I521 PolarHBondContact O-N 3.47Å; H519-I521 VanDerWaalsContact O-N 3.1Å; I521-M523 HydrophobicContact CG2-CG 4.23Å; I521-M523 PolarHBondContact O-N 2.92Å | ||
| 522 | M | 40 | Very low | 47.9 | Very low | 186 Ų | 186 | 150.1 Ų | 150.1 | 92% | 0.916 | 77% | 0.772 | S | S | * | * | trans | -64.2 | 88.7 | 171.6 | -153 | 163.6 | 81.8 | 0 | 0 | 107.1 | ||||
| 523 | M | 40.3 | Very low | 50.6 | Low | 146 Ų | 146 | 140 Ų | 140 | 72% | 0.719 | 73% | 0.728 | S | S | * | * | trans | -71 | 127.7 | 172.7 | -64.8 | -147.3 | -177.1 | 0 | 0 | 107.9 | I521 H525 | I521-M523 HydrophobicContact CG2-CG 4.23Å; I521-M523 PolarHBondContact O-N 2.92Å; M523-H525 PolarHBondContact O-N 3.03Å | ||
| 524 | P | 43.7 | Very low | 53.4 | Low | 108 Ų | 108 | 135.7 Ų | 135.7 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | trans | -58.8 | 141 | 176 | -17.1 | 28.6 | 0 | 0 | 0 | 109.8 | E526 | P524-E526 PolarHBondContact O-N 2.87Š| ||
| 525 | H | 42.8 | Very low | 56.5 | Low | 191 Ų | 191 | 127.5 Ų | 127.5 | 88% | 0.884 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -64.9 | 29 | 171.4 | -95.1 | -10.6 | 0 | 0 | 0 | 114.1 | M523 M527 | M523-H525 PolarHBondContact O-N 3.03Å; H525-M527 PolarHBondContact O-N 2.8Å |
| 526 | E | 46.2 | Very low | 59.2 | Low | 178 Ų | 178 | 122.8 Ų | 122.8 | 83% | 0.832 | 63% | 0.629 | S | S | * | * | trans | -74.9 | 81.7 | 153.9 | -84 | -172.3 | 152.3 | 0 | 0 | 106.9 | P524 M528 | P524-E526 PolarHBondContact O-N 2.87Å; E526-M528 PolarHBondContact O-N 2.81Å | ||
| 527 | M | 46.4 | Very low | 62.2 | Low | 139 Ų | 139 | 114.8 Ų | 114.8 | 69% | 0.685 | 59% | 0.588 | S | S | * | * | trans | -41.3 | 124 | 171.9 | -59.7 | 178.3 | 88.7 | 0 | 0 | 108.8 | H525 K529 | H525-M527 PolarHBondContact O-N 2.8Å; M527-K529 PolarHBondContact O-N 3.35Å | ||
| 528 | M | 54.3 | Low | 65.1 | Low | 192 Ų | 192 | 105.8 Ų | 105.8 | 95% | 0.946 | 55% | 0.549 | S | S | * | . | trans | -52.1 | 91.6 | 168 | -79.4 | 177.2 | 170.1 | 0 | 0 | 108.3 | E526 A530 | E526-M528 PolarHBondContact O-N 2.81Å; M528-A530 PolarHBondContact O-N 3.11Å; M528-A530 VanDerWaalsContact O-N 3.13Å | ||
| 529 | K | 63.4 | Low | 67.8 | Low | 163 Ų | 163 | 101.2 Ų | 101.2 | 71% | 0.709 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 119.3 | 174.8 | -167.8 | 175.6 | 178.6 | -173.9 | 0 | 104.9 | M527 | M527-K529 PolarHBondContact O-N 3.35Š|
| 530 | A | 71 | Confident | 70.4 | Confident | 71 Ų | 71 | 93.8 Ų | 93.8 | 59% | 0.587 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -50.1 | 134.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | M528 M532 | M528-A530 PolarHBondContact O-N 3.11Å; M528-A530 VanDerWaalsContact O-N 3.13Å; A530-M532 WeakPolarHBondContact O-CG 3.42Å; A530-M532 PolarHBondContact O-N 3.11Å |
| 531 | P | 81.1 | Confident | 72.8 | Confident | 65 Ų | 65 | 88.6 Ų | 88.6 | 42% | 0.422 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 118.1 | 179.6 | 24.3 | -32.5 | 0 | 0 | 0 | 107.6 | V574 L657 | P531-V574 HydrophobicContact CB-CG1 3.83Å; P531-V574 HydrophobicContact CB-CG2 4.22Å; P531-V574 HydrophobicContact CG-CG1 4.34Å; P531-L657 HydrophobicContact CB-CD2 4.45Å; P531-L657 WeakPolarHBondContact O-CD2 3.49Å |
| 532 | M | 90.3 | Very high | 75.6 | Confident | 95 Ų | 95 | 83.1 Ų | 83.1 | 47% | 0.468 | 44% | 0.441 | S | S | . | . | trans | -105.1 | 144.8 | 176.4 | -64.5 | -152.5 | -61.4 | 0 | 0 | 108.2 | A530 E560 | A530-M532 WeakPolarHBondContact O-CG 3.42Å; A530-M532 PolarHBondContact O-N 3.11Å; M532-E560 WeakPolarHBondContact CB-OE1 3.42Å; M532-E560 WeakPolarHBondContact O-CG 3.41Å | ||
| 533 | S | 97.5 | Very high | 78.3 | Confident | 3 Ų | 3 | 79.5 Ų | 79.5 | 2% | 0.021 | 42% | 0.418 | C | S | . | . | trans | -160.4 | 103.1 | 176.3 | 176.9 | 0 | 0 | 0 | 0 | 105.8 | H562 Y578 F656 L657 | S533-H562 WeakPolarHBondContact CB-ND1 3.19Å; S533-H562 PolarHBondContact OG-ND1 3.19Å; S533-Y578 WeakPolarHBondContact CB-OH 3.22Å; S533-Y578 WeakPolarHBondContact OG-CE1 3.41Å; S533-Y578 PolarHBondContact OG-OH 2.83Å; S533-Y578 VanDerWaalsContact OG-OH 3.13Å; S533-F656 CarbonylContact O-C 3.51Å; S533-F656 VanDerWaalsContact O-CA 3.3Å; S533-F656 WeakPolarHBondContact O-CA 3.3Å; S533-L657 PolarHBondContact O-N 3.23Å | ||
| 534 | A | 98.3 | Very high | 81 | Confident | 24 Ų | 24 | 73 Ų | 73 | 20% | 0.198 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 153 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y557 E560 G655 F656 | A534-Y557 HydrophobicContact CB-CD1 4.11Å; A534-Y557 HydrophobicContact CB-CE1 3.74Å; A534-Y557 WeakPolarHBondContact O-CD1 3.31Å; A534-Y557 VanDerWaalsContact O-CE1 3.23Å; A534-Y557 WeakPolarHBondContact O-CE1 2.94Å; A534-E560 PolarHBondContact N-OE2 3.27Å; A534-G655 CarbonylContact C-O 3.46Å; A534-G655 VanDerWaalsContact CA-O 3.22Å; A534-G655 WeakPolarHBondContact CA-O 3.46Å; A534-F656 HydrophobicContact CB-CB 3.62Å |
| 535 | F | 98.8 | Very high | 83.5 | Confident | 5 Ų | 5 | 71.9 Ų | 71.9 | 2% | 0.022 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 156 | 170 | 76 | -77.4 | 0 | 0 | 0 | 110.6 | Y557 Y563 F570 F580 F653 S654 G655 | F535-Y557 CarbonylContact C-O 3.46Å; F535-Y557 WeakPolarHBondContact CA-O 3.31Å; F535-Y563 HydrophobicContact CB-CG 4.26Å; F535-Y563 HydrophobicContact CD2-CD1 4.05Å; F535-Y563 AromaticContact CD2-CD2 3.5Å; F535-Y563 HydrophobicContact CD2-CD2 3.5Å; F535-Y563 HydrophobicContact CD2-CE2 4.14Å; F535-Y563 AromaticContact CD2-CG 3.45Å; F535-Y563 HydrophobicContact CD2-CG 3.45Å; F535-Y563 VanDerWaalsContact CD2-CG 3.45Å; F535-Y563 AromaticContact CE2-CD2 3.44Å; F535-Y563 HydrophobicContact CE2-CD2 3.44Å; F535-Y563 VanDerWaalsContact CE2-CD2 3.44Å; F535-Y563 AromaticContact CE2-CE2 3.8Å; F535-Y563 HydrophobicContact CE2-CE2 3.8Å; F535-Y563 AromaticContact CE2-CG 3.93Å; F535-Y563 HydrophobicContact CE2-CG 3.93Å; F535-Y563 VanDerWaalsContact CG-CB 3.49Å; F535-Y563 HydrophobicContact CG-CD2 4.12Å; F535-Y563 AromaticContact CG-CG 3.87Å; F535-Y563 HydrophobicContact CG-CG 3.87Å; F535-Y563 HydrophobicContact CZ-CD2 4.01Å; F535-F570 HydrophobicContact CD1-CB 4.43Å; F535-F570 AromaticContact CD1-CD2 3.41Å; F535-F570 HydrophobicContact CD1-CD2 3.41Å; F535-F570 VanDerWaalsContact CD1-CD2 3.41Å; F535-F570 AromaticContact CD1-CE2 3.98Å; F535-F570 HydrophobicContact CD1-CE2 3.98Å; F535-F570 HydrophobicContact CD1-CG 4.19Å; F535-F570 HydrophobicContact CE1-CB 3.8Å; F535-F570 AromaticContact CE1-CD2 3.45Å; F535-F570 HydrophobicContact CE1-CD2 3.45Å; F535-F570 VanDerWaalsContact CE1-CD2 3.45Å; F535-F570 HydrophobicContact CE1-CE2 4.22Å; F535-F570 AromaticContact CE1-CG 3.75Å; F535-F570 HydrophobicContact CE1-CG 3.75Å; F535-F570 HydrophobicContact CG-CD2 4.43Å; F535-F570 HydrophobicContact CZ-CB 4.1Å; F535-F570 HydrophobicContact CZ-CD2 4.5Å; F535-F580 HydrophobicContact CE1-CD1 4.21Å; F535-F580 AromaticContact CE1-CE1 3.82Å; F535-F580 HydrophobicContact CE1-CE1 3.82Å; F535-F580 HydrophobicContact CZ-CD1 4.3Å; F535-F580 HydrophobicContact CZ-CE1 4.22Å; F535-F653 AromaticContact CE2-CD1 3.63Å; F535-F653 HydrophobicContact CE2-CD1 3.63Å; F535-F653 AromaticContact CE2-CE1 3.85Å; F535-F653 HydrophobicContact CE2-CE1 3.85Å; F535-F653 HydrophobicContact CE2-CG 4.04Å; F535-F653 HydrophobicContact CE2-CZ 4.43Å; F535-F653 AromaticContact CZ-CD1 3.79Å; F535-F653 HydrophobicContact CZ-CD1 3.79Å; F535-F653 HydrophobicContact CZ-CD2 4.41Å; F535-F653 AromaticContact CZ-CE1 3.52Å; F535-F653 HydrophobicContact CZ-CE1 3.52Å; F535-F653 HydrophobicContact CZ-CE2 4.19Å; F535-F653 HydrophobicContact CZ-CG 4.23Å; F535-F653 AromaticContact CZ-CZ 3.74Å; F535-F653 HydrophobicContact CZ-CZ 3.74Å; F535-S654 VanDerWaalsContact O-CA 3.3Å; F535-S654 WeakPolarHBondContact O-CA 3.23Å; F535-G655 PolarHBondContact N-O 2.81Å; F535-G655 PolarHBondContact O-N 3.38Å |
| 536 | S | 98.8 | Very high | 86.1 | Confident | 27 Ų | 27 | 63.8 Ų | 63.8 | 19% | 0.189 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 125.4 | 167.6 | -170.8 | 0 | 0 | 0 | 0 | 107.8 | I556 Y557 S654 | S536-I556 WeakPolarHBondContact O-CA 3.32Å; S536-I556 WeakPolarHBondContact O-CB 3.47Å; S536-I556 PolarHBondContact O-N 3.46Å; S536-Y557 PolarHBondContact N-O 3.32Å; S536-Y557 PolarHBondContact O-N 3.16Å; S536-S654 WeakPolarHBondContact CB-OG 3.47Å; S536-S654 PolarHBondContact OG-OG 2.94Å |
| 537 | A | 98.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 153.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | F552 Q554 I555 Y563 S652 F653 | A537-F552 HydrophobicContact CB-CB 3.57Å; A537-F552 WeakPolarHBondContact CB-O 3.4Å; A537-Q554 CarbonylContact C-O 3.55Å; A537-Q554 WeakPolarHBondContact CA-O 3.29Å; A537-I555 HydrophobicContact CB-CD1 3.8Å; A537-Y563 HydrophobicContact CB-CD1 4.19Å; A537-Y563 HydrophobicContact CB-CE1 3.65Å; A537-S652 VanDerWaalsContact O-CA 3.31Å; A537-S652 WeakPolarHBondContact O-CA 3.42Å; A537-F653 PolarHBondContact N-O 3.43Å; A537-F653 PolarHBondContact O-N 2.82Å |
| 538 | V | 98.2 | Very high | 90.9 | Very high | 6 Ų | 6 | 53.3 Ų | 53.3 | 4% | 0.036 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 145.7 | -177.3 | -102.7 | 0 | 0 | 0 | 0 | 110.8 | F552 N553 Q554 I556 H650 C651 | V538-F552 CarbonylContact O-C 3.46Å; V538-N553 PolarHBondContact O-N 3.04Å; V538-Q554 HydrophobicContact CB-CB 4.41Å; V538-Q554 HydrophobicContact CG2-CB 3.9Å; V538-Q554 HydrophobicContact CG2-CG 3.91Å; V538-Q554 VanDerWaalsContact CG2-O 3.23Å; V538-Q554 WeakPolarHBondContact CG2-O 3.43Å; V538-Q554 PolarHBondContact N-O 2.98Å; V538-Q554 WeakPolarHBondContact O-CB 3.3Å; V538-Q554 PolarHBondContact O-N 3.47Å; V538-I556 HydrophobicContact CG1-CD1 4.26Å; V538-I556 HydrophobicContact CG2-CD1 3.69Å; V538-I556 HydrophobicContact CG2-CG1 3.7Å; V538-H650 HydrophobicContact CG1-CB 3.71Å; V538-C651 CarbonylContact C-O 3.44Å; V538-C651 VanDerWaalsContact CA-O 3.28Å; V538-C651 WeakPolarHBondContact CA-O 3.27Å; V538-C651 WeakPolarHBondContact CG1-O 3.35Å |
| 539 | L | 97.5 | Very high | 93 | Very high | 6 Ų | 6 | 45.7 Ų | 45.7 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 134.5 | 171.4 | 179.9 | 73.4 | 0 | 0 | 0 | 107.6 | V541 P544 V550 P551 F552 A645 C651 | L539-V541 WeakPolarHBondContact CD2-O 3.2Å; L539-V541 WeakPolarHBondContact CG-O 3.43Å; L539-P544 HydrophobicContact CD2-CB 4.36Å; L539-P544 HydrophobicContact CD2-CG 4.19Å; L539-V550 HydrophobicContact CD1-CG1 4.3Å; L539-V550 HydrophobicContact CD2-CG1 3.78Å; L539-P551 WeakPolarHBondContact CD1-O 3.39Å; L539-F552 HydrophobicContact CB-CD1 3.64Å; L539-F552 HydrophobicContact CB-CE1 3.97Å; L539-F552 HydrophobicContact CB-CG 4.35Å; L539-A645 HydrophobicContact CD2-CB 4.31Å; L539-A645 HydrophobicContact CG-CB 4.17Å; L539-A645 WeakPolarHBondContact O-CB 3.39Å; L539-C651 HydrophobicContact CB-CB 4.09Å; L539-C651 HydrophobicContact CD2-CB 4.41Å; L539-C651 PolarHBondContact N-O 3.12Å |
| 540 | T | 90.6 | Very high | 94.6 | Very high | 28 Ų | 28 | 38.1 Ų | 38.1 | 17% | 0.172 | 25% | 0.248 | C | C | . | . | trans | -115.2 | -6.2 | 178.4 | 52.8 | 0 | 0 | 0 | 0 | 113.5 | A645 A646 | T540-A645 CarbonylContact O-C 3.53Å; T540-A646 WeakPolarHBondContact O-CA 3.43Å; T540-A646 PolarHBondContact O-N 2.88Å | ||
| 541 | V | 93.9 | Very high | 95.9 | Very high | 91 Ų | 91 | 37.2 Ų | 37.2 | 55% | 0.552 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -107.3 | 119.2 | 179.7 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | L539 | L539-V541 WeakPolarHBondContact CD2-O 3.2Å; L539-V541 WeakPolarHBondContact CG-O 3.43Å |
| 542 | A | 96.6 | Very high | 96.7 | Very high | 21 Ų | 21 | 34.1 Ų | 34.1 | 17% | 0.174 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -64 | 157.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | F644 A645 | A542-F644 HydrophobicContact CB-CD2 3.74Å; A542-F644 HydrophobicContact CB-CE2 4.2Å; A542-F644 HydrophobicContact CB-CG 4.41Å; A542-A645 WeakPolarHBondContact CB-O 3.49Å; A542-A645 PolarHBondContact N-O 3.36Å; A542-A645 VanDerWaalsContact N-O 3.12Å |
| 543 | Y | 96.9 | Very high | 96.9 | Very high | 110 Ų | 110 | 33.6 Ų | 33.6 | 43% | 0.431 | 22% | 0.215 | S | C | . | . | S | Bend | trans | 57.5 | 59.3 | 172.6 | -46 | -62.4 | 0 | 0 | 0 | 112.4 | N587 N641 V643 F644 | Y543-N587 WeakPolarHBondContact CE1-O 3.39Å; Y543-N587 PolarHBondContact OH-O 3.18Å; Y543-N587 VanDerWaalsContact OH-O 3.11Å; Y543-N641 VanDerWaalsContact CD1-O 3.29Å; Y543-N641 WeakPolarHBondContact CD1-O 3.42Å; Y543-V643 PolarHBondContact N-O 3.22Å; Y543-F644 HydrophobicContact CE2-CD2 4.41Å |
| 544 | P | 96.7 | Very high | 96.9 | Very high | 11 Ų | 11 | 37.9 Ų | 37.9 | 7% | 0.071 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -61.4 | 153.2 | 176.1 | 30.8 | -35.6 | 0 | 0 | 0 | 110.4 | L539 A546 V550 V635 N641 V643 | L539-P544 HydrophobicContact CD2-CB 4.36Å; L539-P544 HydrophobicContact CD2-CG 4.19Å; P544-A546 PolarHBondContact O-N 2.87Å; P544-V550 HydrophobicContact CB-CG1 3.95Å; P544-V550 HydrophobicContact CB-CG2 4.08Å; P544-V550 HydrophobicContact CG-CG1 4.08Å; P544-V550 HydrophobicContact CG-CG2 3.94Å; P544-V635 HydrophobicContact CG-CG2 4.13Å; P544-N641 PolarHBondContact O-ND2 3.43Å; P544-N641 PolarHBondContact O-OD1 3.35Å; P544-V643 HydrophobicContact CG-CB 4.34Å; P544-V643 HydrophobicContact CG-CG1 4.3Å |
| 545 | S | 96.3 | Very high | 96.9 | Very high | 83 Ų | 83 | 40 Ų | 40 | 58% | 0.58 | 24% | 0.242 | S | C | * | . | P | Polyproline II helix | trans | -56.5 | 129 | -179.5 | -53.7 | 0 | 0 | 0 | 0 | 112 | S548 | S545-S548 PolarHBondContact O-OG 3.48Š|
| 546 | A | 96.5 | Very high | 96.9 | Very high | 22 Ų | 22 | 45.1 Ų | 45.1 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | 157.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | P544 S548 V635 D637 E638 | P544-A546 PolarHBondContact O-N 2.87Å; A546-S548 PolarHBondContact O-N 2.94Å; A546-V635 WeakPolarHBondContact CA-O 3.25Å; A546-V635 HydrophobicContact CB-CB 4.38Å; A546-V635 HydrophobicContact CB-CG1 4.14Å; A546-D637 VanDerWaalsContact CB-C 3.48Å; A546-E638 HydrophobicContact CB-CB 4.49Å; A546-E638 HydrophobicContact CB-CG 3.8Å; A546-E638 WeakPolarHBondContact CB-OE1 3.18Å; A546-E638 PolarHBondContact N-OE1 3.44Å; A546-E638 VanDerWaalsContact N-OE1 3.09Å |
| 547 | G | 96.1 | Very high | 96.8 | Very high | 50 Ų | 50 | 48.4 Ų | 48.4 | 52% | 0.515 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79 | -2.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | Q634 V635 | G547-Q634 PolarHBondContact O-NE2 2.92Å; G547-V635 PolarHBondContact N-O 3.44Å |
| 548 | S | 97.1 | Very high | 96.8 | Very high | 46 Ų | 46 | 49.8 Ų | 49.8 | 32% | 0.322 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -132.5 | 156.6 | 177.9 | 56.6 | 0 | 0 | 0 | 0 | 112.4 | S545 A546 V550 Q634 | S545-S548 PolarHBondContact O-OG 3.48Å; A546-S548 PolarHBondContact O-N 2.94Å; S548-V550 PolarHBondContact O-N 3.44Å; S548-Q634 WeakPolarHBondContact O-CG 3.24Å |
| 549 | P | 98.4 | Very high | 96.7 | Very high | 33 Ų | 33 | 51.9 Ų | 51.9 | 21% | 0.214 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -54 | 137.6 | 172.1 | -25.2 | 34 | 0 | 0 | 0 | 112.2 | P551 T567 I569 Y632 I633 | P549-P551 WeakPolarHBondContact O-CD 3.48Å; P549-T567 VanDerWaalsContact CB-O 3.31Å; P549-T567 WeakPolarHBondContact CB-O 3.47Å; P549-I569 HydrophobicContact CB-CG1 4.15Å; P549-I569 HydrophobicContact CG-CD1 4.19Å; P549-I569 HydrophobicContact CG-CG1 4.15Å; P549-Y632 HydrophobicContact CB-CD2 3.7Å; P549-Y632 HydrophobicContact CB-CE2 4.31Å; P549-Y632 HydrophobicContact CB-CG 4.01Å; P549-Y632 HydrophobicContact CG-CD2 3.66Å; P549-Y632 HydrophobicContact CG-CE2 3.78Å; P549-Y632 HydrophobicContact CG-CG 4.04Å; P549-I633 CarbonylContact C-O 3.49Å; P549-I633 WeakPolarHBondContact CA-O 3.48Å |
| 550 | V | 98.3 | Very high | 96.6 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.024 | 32% | 0.317 | C | S | . | . | trans | -79.2 | 119.7 | 179 | 177.2 | 0 | 0 | 0 | 0 | 109.5 | L539 P544 S548 F552 G568 I633 V635 | L539-V550 HydrophobicContact CD1-CG1 4.3Å; L539-V550 HydrophobicContact CD2-CG1 3.78Å; P544-V550 HydrophobicContact CB-CG1 3.95Å; P544-V550 HydrophobicContact CB-CG2 4.08Å; P544-V550 HydrophobicContact CG-CG1 4.08Å; P544-V550 HydrophobicContact CG-CG2 3.94Å; S548-V550 PolarHBondContact O-N 3.44Å; V550-F552 HydrophobicContact CB-CD2 4.43Å; V550-F552 HydrophobicContact CB-CE2 3.74Å; V550-F552 HydrophobicContact CB-CZ 4.16Å; V550-F552 HydrophobicContact CG1-CD2 4.15Å; V550-F552 HydrophobicContact CG1-CE1 4.38Å; V550-F552 HydrophobicContact CG1-CE2 3.62Å; V550-F552 HydrophobicContact CG1-CZ 3.72Å; V550-F552 WeakPolarHBondContact O-CD2 3.31Å; V550-F552 WeakPolarHBondContact O-CE2 3.26Å; V550-F552 PolarHBondContact O-N 3.05Å; V550-G568 WeakPolarHBondContact O-CA 3.45Å; V550-I633 PolarHBondContact N-O 3.4Å; V550-V635 HydrophobicContact CG2-CG2 4.34Å | ||
| 551 | P | 97.5 | Very high | 96.9 | Very high | 52 Ų | 52 | 60.2 Ų | 60.2 | 34% | 0.338 | 35% | 0.345 | S | S | . | . | trans | -83.9 | 94.2 | -179.1 | 32.6 | -33 | 0 | 0 | 0 | 111.1 | L539 P549 N553 | L539-P551 WeakPolarHBondContact CD1-O 3.39Å; P549-P551 WeakPolarHBondContact O-CD 3.48Å; P551-N553 VanDerWaalsContact C-N 3.3Å; P551-N553 PolarHBondContact O-N 3.01Å | ||
| 552 | F | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | trans | -73.2 | 88 | 170.4 | -56.5 | -100.7 | 0 | 0 | 0 | 108.5 | A537 V538 L539 V550 Y563 M584 I633 C651 F653 | A537-F552 HydrophobicContact CB-CB 3.57Å; A537-F552 WeakPolarHBondContact CB-O 3.4Å; V538-F552 CarbonylContact O-C 3.46Å; L539-F552 HydrophobicContact CB-CD1 3.64Å; L539-F552 HydrophobicContact CB-CE1 3.97Å; L539-F552 HydrophobicContact CB-CG 4.35Å; V550-F552 HydrophobicContact CB-CD2 4.43Å; V550-F552 HydrophobicContact CB-CE2 3.74Å; V550-F552 HydrophobicContact CB-CZ 4.16Å; V550-F552 HydrophobicContact CG1-CD2 4.15Å; V550-F552 HydrophobicContact CG1-CE1 4.38Å; V550-F552 HydrophobicContact CG1-CE2 3.62Å; V550-F552 HydrophobicContact CG1-CZ 3.72Å; V550-F552 WeakPolarHBondContact O-CD2 3.31Å; V550-F552 WeakPolarHBondContact O-CE2 3.26Å; V550-F552 PolarHBondContact O-N 3.05Å; F552-Y563 VanDerWaalsContact CB-OH 3.27Å; F552-Y563 WeakPolarHBondContact CB-OH 3.31Å; F552-Y563 PolarHBondContact N-OH 2.9Å; F552-Y563 VanDerWaalsContact N-OH 3.11Å; F552-Y563 WeakPolarHBondContact O-CE1 3.44Å; F552-Y563 PolarHBondContact O-OH 2.75Å; F552-M584 HydrophobicContact CE1-CE 3.85Å; F552-M584 HydrophobicContact CE1-SD 4.07Å; F552-M584 HydrophobicContact CZ-CE 3.42Å; F552-M584 VanDerWaalsContact CZ-CE 3.42Å; F552-M584 HydrophobicContact CZ-SD 4.14Å; F552-I633 HydrophobicContact CE2-CB 4.07Å; F552-I633 HydrophobicContact CE2-CG1 4.35Å; F552-I633 HydrophobicContact CZ-CB 4.34Å; F552-C651 HydrophobicContact CE1-CB 4.38Å; F552-F653 HydrophobicContact CD1-CB 4.01Å; F552-F653 HydrophobicContact CD2-CB 3.78Å; F552-F653 HydrophobicContact CD2-CD1 4.15Å; F552-F653 HydrophobicContact CD2-CG 4.44Å; F552-F653 HydrophobicContact CE1-CB 3.93Å; F552-F653 HydrophobicContact CE2-CB 3.69Å; F552-F653 HydrophobicContact CE2-CD1 4.16Å; F552-F653 HydrophobicContact CE2-CG 4.26Å; F552-F653 HydrophobicContact CG-CB 3.97Å; F552-F653 HydrophobicContact CZ-CB 3.8Å | ||
| 553 | N | 95.4 | Very high | 97.2 | Very high | 84 Ų | 84 | 56.4 Ų | 56.4 | 45% | 0.449 | 32% | 0.317 | S | S | . | . | trans | -83.2 | -18.7 | -166.1 | 61.3 | -9.7 | 0 | 0 | 0 | 114.3 | V538 P551 | V538-N553 PolarHBondContact O-N 3.04Å; P551-N553 VanDerWaalsContact C-N 3.3Å; P551-N553 PolarHBondContact O-N 3.01Å | ||
| 554 | Q | 96.7 | Very high | 97.3 | Very high | 92 Ų | 92 | 54 Ų | 54 | 43% | 0.43 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 110 | 178.2 | -176.5 | 179.7 | -8.2 | 0 | 0 | 110.1 | A537 V538 | A537-Q554 CarbonylContact C-O 3.55Å; A537-Q554 WeakPolarHBondContact CA-O 3.29Å; V538-Q554 HydrophobicContact CB-CB 4.41Å; V538-Q554 HydrophobicContact CG2-CB 3.9Å; V538-Q554 HydrophobicContact CG2-CG 3.91Å; V538-Q554 VanDerWaalsContact CG2-O 3.23Å; V538-Q554 WeakPolarHBondContact CG2-O 3.43Å; V538-Q554 PolarHBondContact N-O 2.98Å; V538-Q554 WeakPolarHBondContact O-CB 3.3Å; V538-Q554 PolarHBondContact O-N 3.47Å |
| 555 | I | 98.2 | Very high | 97.3 | Very high | 69 Ų | 69 | 55.2 Ų | 55.2 | 35% | 0.354 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 125.1 | -174.5 | -58.5 | -61.8 | 0 | 0 | 0 | 111.5 | A537 N558 Y563 P565 | A537-I555 HydrophobicContact CB-CD1 3.8Å; I555-N558 HydrophobicContact CG2-CB 3.57Å; I555-Y563 HydrophobicContact CD1-CD1 3.8Å; I555-Y563 HydrophobicContact CD1-CE1 3.91Å; I555-P565 HydrophobicContact CD1-CB 3.94Å; I555-P565 HydrophobicContact CD1-CG 3.6Å; I555-P565 HydrophobicContact CG1-CB 4.25Å; I555-P565 HydrophobicContact CG1-CG 3.8Å |
| 556 | I | 97.9 | Very high | 97.4 | Very high | 113 Ų | 113 | 59.6 Ų | 59.6 | 58% | 0.579 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | -48.3 | 169 | -60.4 | 171.7 | 0 | 0 | 0 | 109.1 | S536 V538 | S536-I556 WeakPolarHBondContact O-CA 3.32Å; S536-I556 WeakPolarHBondContact O-CB 3.47Å; S536-I556 PolarHBondContact O-N 3.46Å; V538-I556 HydrophobicContact CG1-CD1 4.26Å; V538-I556 HydrophobicContact CG2-CD1 3.69Å; V538-I556 HydrophobicContact CG2-CG1 3.7Å |
| 557 | Y | 98.3 | Very high | 97.4 | Very high | 95 Ų | 95 | 61.5 Ų | 61.5 | 37% | 0.373 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 135.5 | 176 | -177.7 | -89.9 | 0 | 0 | 0 | 109.9 | A534 F535 S536 E560 | A534-Y557 HydrophobicContact CB-CD1 4.11Å; A534-Y557 HydrophobicContact CB-CE1 3.74Å; A534-Y557 WeakPolarHBondContact O-CD1 3.31Å; A534-Y557 VanDerWaalsContact O-CE1 3.23Å; A534-Y557 WeakPolarHBondContact O-CE1 2.94Å; F535-Y557 CarbonylContact C-O 3.46Å; F535-Y557 WeakPolarHBondContact CA-O 3.31Å; S536-Y557 PolarHBondContact N-O 3.32Å; S536-Y557 PolarHBondContact O-N 3.16Å; Y557-E560 PolarHBondContact OH-OE1 3.18Å; Y557-E560 PolarHBondContact OH-OE2 3.42Å |
| 558 | N | 97.8 | Very high | 97.5 | Very high | 29 Ų | 29 | 59.1 Ų | 59.1 | 16% | 0.155 | 32% | 0.316 | C | S | . | . | trans | -161.5 | 52 | 172.4 | -168.8 | 20.4 | 0 | 0 | 0 | 109.4 | I555 E560 Q561 H562 Y563 | I555-N558 HydrophobicContact CG2-CB 3.57Å; N558-E560 PolarHBondContact O-N 3.11Å; N558-Q561 PolarHBondContact O-N 3.08Å; N558-Q561 VanDerWaalsContact O-N 3.11Å; N558-Q561 WeakPolarHBondContact OD1-CA 3.34Å; N558-Q561 PolarHBondContact OD1-N 2.89Å; N558-H562 PolarHBondContact OD1-N 3.44Å; N558-Y563 PolarHBondContact ND2-O 3.13Å; N558-Y563 PolarHBondContact OD1-N 3.39Å | ||
| 559 | G | 95.6 | Very high | 97.6 | Very high | 51 Ų | 51 | 58.2 Ų | 58.2 | 53% | 0.526 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -36.5 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 560 | E | 95.8 | Very high | 97.6 | Very high | 46 Ų | 46 | 56.6 Ų | 56.6 | 22% | 0.215 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -1.9 | -178.2 | -61.1 | 76 | -157.1 | 0 | 0 | 113.6 | M532 A534 Y557 N558 H562 | M532-E560 WeakPolarHBondContact CB-OE1 3.42Å; M532-E560 WeakPolarHBondContact O-CG 3.41Å; A534-E560 PolarHBondContact N-OE2 3.27Å; Y557-E560 PolarHBondContact OH-OE1 3.18Å; Y557-E560 PolarHBondContact OH-OE2 3.42Å; N558-E560 PolarHBondContact O-N 3.11Å; E560-H562 PolarHBondContact O-CD2 3.44Å; E560-H562 PolarHBondContact O-N 3.23Å |
| 561 | Q | 97.3 | Very high | 97.6 | Very high | 163 Ų | 163 | 57.9 Ų | 57.9 | 76% | 0.762 | 31% | 0.306 | S | S | * | . | trans | 57.4 | 30.2 | 178.8 | -53.5 | 178.4 | 18 | 0 | 0 | 113.7 | N558 Y563 | N558-Q561 PolarHBondContact O-N 3.08Å; N558-Q561 VanDerWaalsContact O-N 3.11Å; N558-Q561 WeakPolarHBondContact OD1-CA 3.34Å; N558-Q561 PolarHBondContact OD1-N 2.89Å; Q561-Y563 VanDerWaalsContact C-N 3.33Å | ||
| 562 | H | 98.2 | Very high | 97.7 | Very high | 28 Ų | 28 | 55.4 Ų | 55.4 | 13% | 0.13 | 29% | 0.29 | C | S | . | . | trans | -81.1 | -16.5 | 176.4 | -62.9 | 168.3 | 0 | 0 | 0 | 112.6 | S533 N558 E560 F570 S571 Q573 | S533-H562 WeakPolarHBondContact CB-ND1 3.19Å; S533-H562 PolarHBondContact OG-ND1 3.19Å; N558-H562 PolarHBondContact OD1-N 3.44Å; E560-H562 PolarHBondContact O-CD2 3.44Å; E560-H562 PolarHBondContact O-N 3.23Å; H562-F570 HydrophobicContact CB-CD2 4.05Å; H562-F570 HydrophobicContact CB-CE2 3.6Å; H562-F570 HydrophobicContact CB-CZ 4.36Å; H562-F570 CarbonylContact O-C 3.6Å; H562-F570 WeakPolarHBondContact O-CA 3.34Å; H562-S571 PolarHBondContact O-N 3.44Å; H562-Q573 WeakPolarHBondContact CD2-CG 3.3Å; H562-Q573 WeakPolarHBondContact NE2-CB 3.38Å; H562-Q573 VanDerWaalsContact NE2-CG 3.35Å; H562-Q573 WeakPolarHBondContact NE2-CG 3.49Å | ||
| 563 | Y | 98.8 | Very high | 97.6 | Very high | 3 Ų | 3 | 60.1 Ų | 60.1 | 1% | 0.012 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 130.1 | 169.5 | 179 | -101.6 | 0 | 0 | 0 | 110.3 | F535 A537 F552 I555 N558 Q561 P565 G568 F570 F653 | F535-Y563 HydrophobicContact CB-CG 4.26Å; F535-Y563 HydrophobicContact CD2-CD1 4.05Å; F535-Y563 AromaticContact CD2-CD2 3.5Å; F535-Y563 HydrophobicContact CD2-CD2 3.5Å; F535-Y563 HydrophobicContact CD2-CE2 4.14Å; F535-Y563 AromaticContact CD2-CG 3.45Å; F535-Y563 HydrophobicContact CD2-CG 3.45Å; F535-Y563 VanDerWaalsContact CD2-CG 3.45Å; F535-Y563 AromaticContact CE2-CD2 3.44Å; F535-Y563 HydrophobicContact CE2-CD2 3.44Å; F535-Y563 VanDerWaalsContact CE2-CD2 3.44Å; F535-Y563 AromaticContact CE2-CE2 3.8Å; F535-Y563 HydrophobicContact CE2-CE2 3.8Å; F535-Y563 AromaticContact CE2-CG 3.93Å; F535-Y563 HydrophobicContact CE2-CG 3.93Å; F535-Y563 VanDerWaalsContact CG-CB 3.49Å; F535-Y563 HydrophobicContact CG-CD2 4.12Å; F535-Y563 AromaticContact CG-CG 3.87Å; F535-Y563 HydrophobicContact CG-CG 3.87Å; F535-Y563 HydrophobicContact CZ-CD2 4.01Å; A537-Y563 HydrophobicContact CB-CD1 4.19Å; A537-Y563 HydrophobicContact CB-CE1 3.65Å; F552-Y563 VanDerWaalsContact CB-OH 3.27Å; F552-Y563 WeakPolarHBondContact CB-OH 3.31Å; F552-Y563 PolarHBondContact N-OH 2.9Å; F552-Y563 VanDerWaalsContact N-OH 3.11Å; F552-Y563 WeakPolarHBondContact O-CE1 3.44Å; F552-Y563 PolarHBondContact O-OH 2.75Å; I555-Y563 HydrophobicContact CD1-CD1 3.8Å; I555-Y563 HydrophobicContact CD1-CE1 3.91Å; N558-Y563 PolarHBondContact ND2-O 3.13Å; N558-Y563 PolarHBondContact OD1-N 3.39Å; Q561-Y563 VanDerWaalsContact C-N 3.33Å; Y563-P565 HydrophobicContact CD1-CG 4.45Å; Y563-P565 HydrophobicContact CE1-CB 4.33Å; Y563-P565 WeakPolarHBondContact O-CD 3.1Å; Y563-G568 WeakPolarHBondContact CE2-O 3.28Å; Y563-G568 WeakPolarHBondContact OH-CA 3.38Å; Y563-F570 HydrophobicContact CD2-CB 4.26Å; Y563-F653 HydrophobicContact CE2-CD1 4.2Å; Y563-F653 HydrophobicContact CE2-CE1 4.42Å |
| 564 | D | 98.4 | Very high | 97.7 | Very high | 59 Ų | 59 | 57.5 Ų | 57.5 | 32% | 0.316 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 111.1 | 174.3 | 176.1 | 5.9 | 0 | 0 | 0 | 110.3 | Q566 T567 G568 I569 | D564-Q566 PolarHBondContact O-N 3.42Å; D564-Q566 WeakPolarHBondContact OD1-CB 3.31Å; D564-Q566 PolarHBondContact OD1-N 3.36Å; D564-T567 VanDerWaalsContact CB-OG1 3.3Å; D564-T567 WeakPolarHBondContact CB-OG1 3.4Å; D564-T567 PolarHBondContact O-N 2.9Å; D564-T567 WeakPolarHBondContact OD2-CB 3.36Å; D564-T567 WeakPolarHBondContact OD2-CG2 3.41Å; D564-T567 PolarHBondContact OD2-OG1 3.34Å; D564-G568 WeakPolarHBondContact O-CA 3.3Å; D564-G568 PolarHBondContact O-N 3.27Å; D564-I569 PolarHBondContact N-O 2.92Å; D564-I569 PolarHBondContact O-N 2.92Å |
| 565 | P | 97.6 | Very high | 97.7 | Very high | 38 Ų | 38 | 55.3 Ų | 55.3 | 25% | 0.247 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -20.2 | -178.4 | -12 | 26.2 | 0 | 0 | 0 | 113.8 | I555 Y563 | I555-P565 HydrophobicContact CD1-CB 3.94Å; I555-P565 HydrophobicContact CD1-CG 3.6Å; I555-P565 HydrophobicContact CG1-CB 4.25Å; I555-P565 HydrophobicContact CG1-CG 3.8Å; Y563-P565 HydrophobicContact CD1-CG 4.45Å; Y563-P565 HydrophobicContact CE1-CB 4.33Å; Y563-P565 WeakPolarHBondContact O-CD 3.1Å |
| 566 | Q | 96.8 | Very high | 97.7 | Very high | 175 Ų | 175 | 52 Ų | 52 | 82% | 0.818 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -39.6 | 179.9 | -63.3 | -167.8 | -13.4 | 0 | 0 | 111.4 | D564 | D564-Q566 PolarHBondContact O-N 3.42Å; D564-Q566 WeakPolarHBondContact OD1-CB 3.31Å; D564-Q566 PolarHBondContact OD1-N 3.36Å |
| 567 | T | 97.6 | Very high | 97.7 | Very high | 62 Ų | 62 | 49.3 Ų | 49.3 | 38% | 0.38 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -20 | -179.2 | 58.6 | 0 | 0 | 0 | 0 | 113 | P549 D564 I569 | P549-T567 VanDerWaalsContact CB-O 3.31Å; P549-T567 WeakPolarHBondContact CB-O 3.47Å; D564-T567 VanDerWaalsContact CB-OG1 3.3Å; D564-T567 WeakPolarHBondContact CB-OG1 3.4Å; D564-T567 PolarHBondContact O-N 2.9Å; D564-T567 WeakPolarHBondContact OD2-CB 3.36Å; D564-T567 WeakPolarHBondContact OD2-CG2 3.41Å; D564-T567 PolarHBondContact OD2-OG1 3.34Å; T567-I569 VanDerWaalsContact C-N 3.31Å |
| 568 | G | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | 12.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | V550 Y563 D564 Y632 | V550-G568 WeakPolarHBondContact O-CA 3.45Å; Y563-G568 WeakPolarHBondContact CE2-O 3.28Å; Y563-G568 WeakPolarHBondContact OH-CA 3.38Å; D564-G568 WeakPolarHBondContact O-CA 3.3Å; D564-G568 PolarHBondContact O-N 3.27Å; G568-Y632 WeakPolarHBondContact O-CB 3.22Å |
| 569 | I | 98.8 | Very high | 97.7 | Very high | 26 Ų | 26 | 46.9 Ų | 46.9 | 13% | 0.133 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 128.9 | -169.5 | -59.1 | 173.4 | 0 | 0 | 0 | 110.8 | P549 D564 T567 Q630 Y632 | P549-I569 HydrophobicContact CB-CG1 4.15Å; P549-I569 HydrophobicContact CG-CD1 4.19Å; P549-I569 HydrophobicContact CG-CG1 4.15Å; D564-I569 PolarHBondContact N-O 2.92Å; D564-I569 PolarHBondContact O-N 2.92Å; T567-I569 VanDerWaalsContact C-N 3.31Å; I569-Q630 HydrophobicContact CG2-CB 3.83Å; I569-Q630 HydrophobicContact CG2-CG 3.97Å; I569-Y632 HydrophobicContact CG1-CD1 4.16Å; I569-Y632 HydrophobicContact CG1-CG 4.32Å; I569-Y632 HydrophobicContact CG2-CD1 4.47Å |
| 570 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 127.7 | 163.3 | 173.1 | -93.7 | 0 | 0 | 0 | 109.9 | F535 H562 Y563 C572 Y578 F580 L625 Q630 V631 | F535-F570 HydrophobicContact CD1-CB 4.43Å; F535-F570 AromaticContact CD1-CD2 3.41Å; F535-F570 HydrophobicContact CD1-CD2 3.41Å; F535-F570 VanDerWaalsContact CD1-CD2 3.41Å; F535-F570 AromaticContact CD1-CE2 3.98Å; F535-F570 HydrophobicContact CD1-CE2 3.98Å; F535-F570 HydrophobicContact CD1-CG 4.19Å; F535-F570 HydrophobicContact CE1-CB 3.8Å; F535-F570 AromaticContact CE1-CD2 3.45Å; F535-F570 HydrophobicContact CE1-CD2 3.45Å; F535-F570 VanDerWaalsContact CE1-CD2 3.45Å; F535-F570 HydrophobicContact CE1-CE2 4.22Å; F535-F570 AromaticContact CE1-CG 3.75Å; F535-F570 HydrophobicContact CE1-CG 3.75Å; F535-F570 HydrophobicContact CG-CD2 4.43Å; F535-F570 HydrophobicContact CZ-CB 4.1Å; F535-F570 HydrophobicContact CZ-CD2 4.5Å; H562-F570 HydrophobicContact CB-CD2 4.05Å; H562-F570 HydrophobicContact CB-CE2 3.6Å; H562-F570 HydrophobicContact CB-CZ 4.36Å; H562-F570 CarbonylContact O-C 3.6Å; H562-F570 WeakPolarHBondContact O-CA 3.34Å; Y563-F570 HydrophobicContact CD2-CB 4.26Å; F570-C572 HydrophobicContact CE1-CB 4.1Å; F570-Y578 HydrophobicContact CE1-CD1 4.32Å; F570-Y578 HydrophobicContact CE1-CE1 4.1Å; F570-Y578 HydrophobicContact CE2-CE1 4.45Å; F570-Y578 HydrophobicContact CZ-CD1 4.03Å; F570-Y578 AromaticContact CZ-CE1 3.51Å; F570-Y578 HydrophobicContact CZ-CE1 3.51Å; F570-F580 HydrophobicContact CB-CE1 4.39Å; F570-F580 AromaticContact CD1-CE1 3.89Å; F570-F580 HydrophobicContact CD1-CE1 3.89Å; F570-F580 AromaticContact CD1-CZ 3.69Å; F570-F580 HydrophobicContact CD1-CZ 3.69Å; F570-F580 HydrophobicContact CE1-CE1 4.38Å; F570-F580 AromaticContact CE1-CZ 3.87Å; F570-F580 HydrophobicContact CE1-CZ 3.87Å; F570-F580 HydrophobicContact CG-CE1 4.09Å; F570-F580 HydrophobicContact CG-CZ 4.35Å; F570-L625 HydrophobicContact CD1-CD1 4.35Å; F570-L625 HydrophobicContact CE1-CD1 3.78Å; F570-Q630 CarbonylContact O-C 3.53Å; F570-Q630 VanDerWaalsContact O-CA 3.26Å; F570-Q630 WeakPolarHBondContact O-CA 3.39Å; F570-V631 HydrophobicContact CB-CB 4.48Å; F570-V631 WeakPolarHBondContact CB-O 3.42Å; F570-V631 HydrophobicContact CD1-CB 4.27Å; F570-V631 HydrophobicContact CD1-CG2 4.44Å; F570-V631 PolarHBondContact N-O 3.44Å; F570-V631 PolarHBondContact O-N 3.17Å |
| 571 | S | 98.6 | Very high | 98 | Very high | 31 Ų | 31 | 43 Ų | 43 | 22% | 0.217 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 117.1 | 175.6 | -64.3 | 0 | 0 | 0 | 0 | 110.5 | H562 Q573 | H562-S571 PolarHBondContact O-N 3.44Å; S571-Q573 PolarHBondContact O-N 3.35Å |
| 572 | C | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -66.2 | 119.2 | -178.5 | -175.6 | 0 | 0 | 0 | 0 | 111.5 | F570 V574 L625 N626 H628 D629 | F570-C572 HydrophobicContact CE1-CB 4.1Å; C572-V574 PolarHBondContact SG-O 3.26Å; C572-L625 HydrophobicContact CB-CB 4.13Å; C572-L625 HydrophobicContact CB-CD1 4.09Å; C572-N626 VanDerWaalsContact CB-O 3.29Å; C572-N626 WeakPolarHBondContact CB-O 3.41Å; C572-N626 PolarHBondContact SG-O 3.36Å; C572-H628 WeakPolarHBondContact O-CA 3.43Å; C572-H628 PolarHBondContact O-N 3.3Å; C572-D629 HydrophobicContact CB-CB 4.27Å; C572-D629 VanDerWaalsContact CB-O 3.3Å; C572-D629 WeakPolarHBondContact CB-O 3.08Å; C572-D629 PolarHBondContact N-O 3.47Å | ||
| 573 | Q | 97.1 | Very high | 98.1 | Very high | 99 Ų | 99 | 37.6 Ų | 37.6 | 46% | 0.463 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -102.4 | -24.9 | 171.4 | -57.1 | -59.4 | -29.4 | 0 | 0 | 112.7 | H562 S571 | H562-Q573 WeakPolarHBondContact CD2-CG 3.3Å; H562-Q573 WeakPolarHBondContact NE2-CB 3.38Å; H562-Q573 VanDerWaalsContact NE2-CG 3.35Å; H562-Q573 WeakPolarHBondContact NE2-CG 3.49Å; S571-Q573 PolarHBondContact O-N 3.35Å |
| 574 | V | 96.8 | Very high | 98.1 | Very high | 29 Ų | 29 | 37.6 Ų | 37.6 | 18% | 0.176 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -115.2 | 108.6 | 179.7 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | P531 C572 G576 Y578 L657 | P531-V574 HydrophobicContact CB-CG1 3.83Å; P531-V574 HydrophobicContact CB-CG2 4.22Å; P531-V574 HydrophobicContact CG-CG1 4.34Å; C572-V574 PolarHBondContact SG-O 3.26Å; V574-G576 PolarHBondContact O-N 3.12Å; V574-Y578 WeakPolarHBondContact O-CE2 3.39Å; V574-Y578 PolarHBondContact O-OH 2.93Å; V574-L657 HydrophobicContact CB-CD2 4.23Å; V574-L657 HydrophobicContact CG1-CD2 3.73Å |
| 575 | P | 97.4 | Very high | 98.1 | Very high | 46 Ų | 46 | 36.9 Ų | 36.9 | 30% | 0.299 | 19% | 0.19 | S | C | . | . | trans | -56.4 | 138.4 | 174.7 | -23.6 | 33 | 0 | 0 | 0 | 111.8 | L625 A627 S660 T661 | P575-L625 WeakPolarHBondContact CA-O 3.26Å; P575-A627 HydrophobicContact CG-CB 4.01Å; P575-S660 WeakPolarHBondContact O-CA 3.45Å; P575-T661 PolarHBondContact O-N 3.16Å; P575-T661 VanDerWaalsContact O-N 3.1Å; P575-T661 PolarHBondContact O-OG1 2.87Å | ||
| 576 | G | 97.2 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.5 | -168.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | V574 Y578 M624 L625 A659 | V574-G576 PolarHBondContact O-N 3.12Å; G576-Y578 WeakPolarHBondContact O-CD2 3.35Å; G576-M624 VanDerWaalsContact C-SD 3.51Å; G576-L625 PolarHBondContact N-O 3.09Å; G576-L625 PolarHBondContact O-N 2.94Å; G576-A659 CarbonylContact C-O 3.52Å; G576-A659 VanDerWaalsContact CA-O 3.24Å; G576-A659 WeakPolarHBondContact CA-O 3.43Å |
| 577 | L | 98.1 | Very high | 98.1 | Very high | 56 Ų | 56 | 28.7 Ų | 28.7 | 29% | 0.293 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 120.7 | 178.1 | -163.6 | 72.7 | 0 | 0 | 0 | 109.6 | V622 M624 I658 A659 | L577-V622 HydrophobicContact CD1-CG1 3.48Å; L577-V622 VanDerWaalsContact CD1-CG1 3.48Å; L577-V622 HydrophobicContact CD2-CG1 3.83Å; L577-V622 HydrophobicContact CG-CG1 3.46Å; L577-V622 VanDerWaalsContact CG-CG1 3.46Å; L577-M624 HydrophobicContact CB-CE 4.44Å; L577-M624 HydrophobicContact CD1-CE 3.97Å; L577-I658 HydrophobicContact CD2-CD1 4.27Å; L577-I658 HydrophobicContact CG-CD1 4.28Å; L577-I658 WeakPolarHBondContact O-CA 3.22Å; L577-I658 WeakPolarHBondContact O-CB 3.39Å; L577-I658 PolarHBondContact O-N 3.44Å; L577-A659 PolarHBondContact N-O 3.41Å; L577-A659 PolarHBondContact O-N 3.28Å |
| 578 | Y | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 144.2 | -178.7 | -77.1 | -99.6 | 0 | 0 | 0 | 111.5 | S533 F570 V574 G576 F580 V622 L623 L625 F656 L657 | S533-Y578 WeakPolarHBondContact CB-OH 3.22Å; S533-Y578 WeakPolarHBondContact OG-CE1 3.41Å; S533-Y578 PolarHBondContact OG-OH 2.83Å; S533-Y578 VanDerWaalsContact OG-OH 3.13Å; F570-Y578 HydrophobicContact CE1-CD1 4.32Å; F570-Y578 HydrophobicContact CE1-CE1 4.1Å; F570-Y578 HydrophobicContact CE2-CE1 4.45Å; F570-Y578 HydrophobicContact CZ-CD1 4.03Å; F570-Y578 AromaticContact CZ-CE1 3.51Å; F570-Y578 HydrophobicContact CZ-CE1 3.51Å; V574-Y578 WeakPolarHBondContact O-CE2 3.39Å; V574-Y578 PolarHBondContact O-OH 2.93Å; G576-Y578 WeakPolarHBondContact O-CD2 3.35Å; Y578-F580 VanDerWaalsContact CB-CE2 3.45Å; Y578-F580 HydrophobicContact CD1-CZ 4.39Å; Y578-F580 HydrophobicContact CG-CE2 4.22Å; Y578-F580 HydrophobicContact CG-CZ 4.44Å; Y578-V622 CarbonylContact O-C 3Å; Y578-V622 VanDerWaalsContact O-CA 3.22Å; Y578-V622 WeakPolarHBondContact O-CA 3.21Å; Y578-L623 PolarHBondContact N-O 3.36Å; Y578-L623 PolarHBondContact O-N 3.24Å; Y578-L625 HydrophobicContact CD1-CD1 4.45Å; Y578-L625 HydrophobicContact CD2-CB 3.86Å; Y578-L625 HydrophobicContact CD2-CD1 3.65Å; Y578-L625 HydrophobicContact CD2-CG 3.78Å; Y578-L625 HydrophobicContact CE2-CB 4.07Å; Y578-L625 HydrophobicContact CE2-CD1 4.11Å; Y578-L625 HydrophobicContact CE2-CG 4.39Å; Y578-L625 HydrophobicContact CG-CD1 3.83Å; Y578-L625 HydrophobicContact CG-CG 4.28Å; Y578-F656 CarbonylContact C-O 3.38Å; Y578-F656 VanDerWaalsContact CA-O 3.31Å; Y578-F656 WeakPolarHBondContact CA-O 3.3Å; Y578-F656 VanDerWaalsContact CD1-C 3.49Å; Y578-L657 HydrophobicContact CD1-CB 4.16Å; Y578-L657 HydrophobicContact CD2-CD1 4.03Å; Y578-L657 HydrophobicContact CE1-CB 3.69Å; Y578-L657 HydrophobicContact CE1-CD1 4.25Å; Y578-L657 HydrophobicContact CE2-CD1 3.57Å |
| 579 | Y | 98.8 | Very high | 97.9 | Very high | 73 Ų | 73 | 29.5 Ų | 29.5 | 29% | 0.286 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 134.2 | 164.5 | -179.4 | -102.6 | 0 | 0 | 0 | 109.3 | S620 V622 G655 F656 | Y579-S620 WeakPolarHBondContact OH-CB 3.4Å; Y579-S620 PolarHBondContact OH-OG 3.49Å; Y579-S620 VanDerWaalsContact OH-OG 3.11Å; Y579-V622 HydrophobicContact CD2-CG2 3.97Å; Y579-G655 CarbonylContact O-C 3.56Å; Y579-G655 WeakPolarHBondContact O-CA 3.45Å; Y579-F656 HydrophobicContact CD1-CD1 4.12Å; Y579-F656 AromaticContact CD1-CE1 3.35Å; Y579-F656 HydrophobicContact CD1-CE1 3.35Å; Y579-F656 AromaticContact CD1-CZ 3.78Å; Y579-F656 HydrophobicContact CD1-CZ 3.78Å; Y579-F656 HydrophobicContact CE1-CE1 4.19Å; Y579-F656 HydrophobicContact CG-CE1 4.02Å; Y579-F656 HydrophobicContact CG-CZ 4.03Å; Y579-F656 PolarHBondContact N-O 3.45Å; Y579-F656 PolarHBondContact O-N 3.42Å |
| 580 | F | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 142.4 | 171.2 | -68.7 | -88.5 | 0 | 0 | 0 | 109.8 | F535 F570 Y578 L595 S620 T621 L623 L625 V631 F653 S654 | F535-F580 HydrophobicContact CE1-CD1 4.21Å; F535-F580 AromaticContact CE1-CE1 3.82Å; F535-F580 HydrophobicContact CE1-CE1 3.82Å; F535-F580 HydrophobicContact CZ-CD1 4.3Å; F535-F580 HydrophobicContact CZ-CE1 4.22Å; F570-F580 HydrophobicContact CB-CE1 4.39Å; F570-F580 AromaticContact CD1-CE1 3.89Å; F570-F580 HydrophobicContact CD1-CE1 3.89Å; F570-F580 AromaticContact CD1-CZ 3.69Å; F570-F580 HydrophobicContact CD1-CZ 3.69Å; F570-F580 HydrophobicContact CE1-CE1 4.38Å; F570-F580 AromaticContact CE1-CZ 3.87Å; F570-F580 HydrophobicContact CE1-CZ 3.87Å; F570-F580 HydrophobicContact CG-CE1 4.09Å; F570-F580 HydrophobicContact CG-CZ 4.35Å; Y578-F580 VanDerWaalsContact CB-CE2 3.45Å; Y578-F580 HydrophobicContact CD1-CZ 4.39Å; Y578-F580 HydrophobicContact CG-CE2 4.22Å; Y578-F580 HydrophobicContact CG-CZ 4.44Å; F580-L595 HydrophobicContact CB-CD2 4.33Å; F580-S620 CarbonylContact O-C 3.52Å; F580-S620 WeakPolarHBondContact O-CA 3.5Å; F580-S620 VanDerWaalsContact O-CB 3.27Å; F580-S620 WeakPolarHBondContact O-CB 3.33Å; F580-T621 PolarHBondContact N-O 3.37Å; F580-T621 PolarHBondContact O-N 2.95Å; F580-L623 HydrophobicContact CD2-CD1 3.76Å; F580-L623 HydrophobicContact CD2-CG 4.25Å; F580-L623 HydrophobicContact CE2-CB 4.44Å; F580-L623 HydrophobicContact CE2-CD1 3.95Å; F580-L625 HydrophobicContact CE2-CD1 3.84Å; F580-L625 HydrophobicContact CZ-CD1 3.8Å; F580-V631 HydrophobicContact CD1-CG1 3.95Å; F580-V631 HydrophobicContact CD2-CG1 4.33Å; F580-V631 HydrophobicContact CE1-CB 3.93Å; F580-V631 HydrophobicContact CE1-CG1 3.74Å; F580-V631 HydrophobicContact CE1-CG2 4.41Å; F580-V631 HydrophobicContact CE2-CB 4.43Å; F580-V631 HydrophobicContact CE2-CG1 4.16Å; F580-V631 HydrophobicContact CE2-CG2 4.09Å; F580-V631 HydrophobicContact CG-CG1 4.24Å; F580-V631 HydrophobicContact CZ-CB 3.84Å; F580-V631 HydrophobicContact CZ-CG1 3.87Å; F580-V631 HydrophobicContact CZ-CG2 3.8Å; F580-F653 HydrophobicContact CB-CE2 4.3Å; F580-F653 AromaticContact CD1-CE2 3.86Å; F580-F653 HydrophobicContact CD1-CE2 3.86Å; F580-F653 AromaticContact CD1-CZ 3.81Å; F580-F653 HydrophobicContact CD1-CZ 3.81Å; F580-F653 HydrophobicContact CE1-CZ 4.34Å; F580-S654 WeakPolarHBondContact CA-O 3.12Å |
| 581 | S | 98.8 | Very high | 97.8 | Very high | 15 Ų | 15 | 30.9 Ų | 30.9 | 11% | 0.105 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 145.5 | 173.9 | -179.2 | 0 | 0 | 0 | 0 | 111 | G619 F653 S654 | S581-G619 VanDerWaalsContact CA-O 3.3Å; S581-G619 WeakPolarHBondContact CA-O 3.36Å; S581-G619 PolarHBondContact OG-O 3.22Å; S581-F653 WeakPolarHBondContact O-CD2 3.31Å; S581-S654 PolarHBondContact N-O 3.37Å; S581-S654 PolarHBondContact O-N 3.4Å; S581-S654 VanDerWaalsContact O-O 3.12Å |
| 582 | Y | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 151 | 175.6 | 55.1 | -88.3 | 0 | 0 | 0 | 110.9 | M584 V593 L595 M603 S605 L617 S618 G619 I633 S652 | Y582-M584 HydrophobicContact CD2-CE 3.99Å; Y582-M584 HydrophobicContact CD2-CG 4.49Å; Y582-M584 HydrophobicContact CG-CE 4.19Å; Y582-V593 HydrophobicContact CD2-CG2 4.21Å; Y582-V593 HydrophobicContact CE2-CG2 3.58Å; Y582-L595 HydrophobicContact CE1-CB 4.19Å; Y582-M603 HydrophobicContact CE1-SD 4.32Å; Y582-S605 PolarHBondContact OH-OG 3.21Å; Y582-L617 HydrophobicContact CD2-CD1 4.49Å; Y582-L617 HydrophobicContact CE2-CD1 4.23Å; Y582-S618 VanDerWaalsContact O-CA 3.32Å; Y582-S618 WeakPolarHBondContact O-CA 3.09Å; Y582-G619 PolarHBondContact N-O 3.46Å; Y582-G619 PolarHBondContact O-N 3.14Å; Y582-I633 HydrophobicContact CD1-CD1 3.35Å; Y582-I633 HydrophobicContact CD1-CG1 4.4Å; Y582-I633 HydrophobicContact CD2-CD1 4.26Å; Y582-I633 HydrophobicContact CE1-CD1 3.68Å; Y582-I633 HydrophobicContact CG-CD1 3.65Å; Y582-I633 HydrophobicContact CG-CG1 4.37Å; Y582-S652 CarbonylContact C-O 3.57Å; Y582-S652 WeakPolarHBondContact CA-O 3.23Å; Y582-S652 WeakPolarHBondContact CB-O 3.41Å |
| 583 | H | 98.6 | Very high | 97.8 | Very high | 77 Ų | 77 | 31 Ų | 31 | 36% | 0.356 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 120.2 | 177.9 | -55.7 | -79.6 | 0 | 0 | 0 | 108.1 | S618 C651 S652 | H583-S618 PolarHBondContact ND1-OG 3.49Å; H583-C651 CarbonylContact O-C 3.59Å; H583-C651 VanDerWaalsContact O-CA 3.24Å; H583-C651 WeakPolarHBondContact O-CA 3.45Å; H583-S652 PolarHBondContact CD2-OG 3.42Å; H583-S652 PolarHBondContact N-O 3.47Å; H583-S652 PolarHBondContact O-N 3.23Å |
| 584 | M | 98.3 | Very high | 97.8 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.015 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 151.7 | 175.8 | -45.9 | -57 | 174 | 0 | 0 | 110.2 | F552 Y582 V593 Q616 L617 I633 V643 C651 | F552-M584 HydrophobicContact CE1-CE 3.85Å; F552-M584 HydrophobicContact CE1-SD 4.07Å; F552-M584 HydrophobicContact CZ-CE 3.42Å; F552-M584 VanDerWaalsContact CZ-CE 3.42Å; F552-M584 HydrophobicContact CZ-SD 4.14Å; Y582-M584 HydrophobicContact CD2-CE 3.99Å; Y582-M584 HydrophobicContact CD2-CG 4.49Å; Y582-M584 HydrophobicContact CG-CE 4.19Å; M584-V593 HydrophobicContact CG-CG1 4.25Å; M584-Q616 CarbonylContact O-C 3.59Å; M584-Q616 WeakPolarHBondContact O-CA 3.4Å; M584-Q616 PolarHBondContact O-NE2 3.23Å; M584-L617 HydrophobicContact CB-CD1 3.8Å; M584-L617 HydrophobicContact CB-CG 3.9Å; M584-L617 HydrophobicContact CG-CD1 3.78Å; M584-L617 HydrophobicContact CG-CG 4.43Å; M584-L617 PolarHBondContact N-O 3.41Å; M584-L617 PolarHBondContact O-N 3.33Å; M584-I633 HydrophobicContact CE-CB 4.47Å; M584-I633 HydrophobicContact CE-CG1 4.27Å; M584-I633 HydrophobicContact CE-CG2 3.86Å; M584-V643 HydrophobicContact CB-CG1 4.34Å; M584-V643 HydrophobicContact SD-CG1 4.45Å; M584-C651 VanDerWaalsContact CA-SG 3.58Å; M584-C651 HydrophobicContact SD-CB 3.67Å |
| 585 | H | 98.1 | Very high | 97.9 | Very high | 45 Ų | 45 | 24.9 Ų | 24.9 | 21% | 0.208 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 148.5 | 166.9 | -68 | -79.5 | 0 | 0 | 0 | 110.3 | L614 D615 F644 V649 H650 C651 | H585-L614 HydrophobicContact CB-CD1 4.05Å; H585-D615 WeakPolarHBondContact CA-O 3.4Å; H585-F644 WeakPolarHBondContact CB-O 3.24Å; H585-F644 PolarHBondContact O-N 3.45Å; H585-V649 HydrophobicContact CB-CG1 3.86Å; H585-V649 WeakPolarHBondContact CD2-CG1 3.35Å; H585-V649 VanDerWaalsContact CG-CG1 3.45Å; H585-H650 PolarHBondContact CD2-O 3.21Å; H585-H650 PolarHBondContact NE2-O 3.46Å; H585-C651 PolarHBondContact N-SG 3.33Å |
| 586 | V | 98 | Very high | 98 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 117.8 | -169.9 | -174.6 | 0 | 0 | 0 | 0 | 109.3 | A591 D607 D615 L617 G642 | V586-A591 HydrophobicContact CB-CB 4.31Å; V586-A591 HydrophobicContact CG1-CB 3.74Å; V586-A591 HydrophobicContact CG2-CB 3.81Å; V586-D607 HydrophobicContact CG2-CB 3.99Å; V586-D615 HydrophobicContact CB-CB 4.16Å; V586-D615 PolarHBondContact N-O 3.47Å; V586-D615 PolarHBondContact O-N 3.39Å; V586-D615 VanDerWaalsContact O-N 3.08Å; V586-L617 HydrophobicContact CG2-CB 4.25Å; V586-L617 HydrophobicContact CG2-CD2 3.61Å; V586-L617 HydrophobicContact CG2-CG 3.98Å; V586-G642 WeakPolarHBondContact CA-O 3.39Å |
| 587 | N | 97.1 | Very high | 98 | Very high | 40 Ų | 40 | 26.1 Ų | 26.1 | 21% | 0.214 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 142.2 | -179.1 | -164 | 10.2 | 0 | 0 | 0 | 112.6 | Y543 A589 Y609 L614 G642 F644 | Y543-N587 WeakPolarHBondContact CE1-O 3.39Å; Y543-N587 PolarHBondContact OH-O 3.18Å; Y543-N587 VanDerWaalsContact OH-O 3.11Å; N587-A589 PolarHBondContact O-N 3.25Å; N587-Y609 VanDerWaalsContact OD1-CE2 3.23Å; N587-Y609 WeakPolarHBondContact OD1-CE2 3.18Å; N587-Y609 PolarHBondContact OD1-OH 3.27Å; N587-L614 HydrophobicContact CB-CD1 3.79Å; N587-G642 PolarHBondContact N-O 3.18Å; N587-F644 HydrophobicContact CB-CB 3.56Å; N587-F644 HydrophobicContact CB-CD1 4.27Å; N587-F644 HydrophobicContact CB-CD2 4.04Å; N587-F644 HydrophobicContact CB-CG 3.69Å |
| 588 | G | 94.9 | Very high | 98 | Very high | 45 Ų | 45 | 27.4 Ų | 27.4 | 46% | 0.464 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 85.4 | -35.3 | 174 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y609 | G588-Y609 VanDerWaalsContact CA-CE1 3.47Å |
| 589 | A | 95.6 | Very high | 98 | Very high | 34 Ų | 34 | 29.5 Ų | 29.5 | 28% | 0.281 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 167.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | N587 Y609 G642 | N587-A589 PolarHBondContact O-N 3.25Å; A589-Y609 WeakPolarHBondContact O-CB 3.48Å; A589-G642 WeakPolarHBondContact O-CA 3.48Å |
| 590 | N | 97.4 | Very high | 97.9 | Very high | 55 Ų | 55 | 32.8 Ų | 32.8 | 29% | 0.294 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 150 | 170.7 | -60.7 | -14.5 | 0 | 0 | 0 | 109.4 | Y606 Y609 T640 G642 | N590-Y606 HydrophobicContact CB-CE2 3.95Å; N590-Y606 PolarHBondContact ND2-OH 3.17Å; N590-Y609 PolarHBondContact OD1-N 3.21Å; N590-T640 CarbonylContact O-C 3.56Å; N590-T640 VanDerWaalsContact O-CA 3.23Å; N590-T640 WeakPolarHBondContact O-CA 3.38Å; N590-G642 VanDerWaalsContact O-CA 3.32Å; N590-G642 WeakPolarHBondContact O-CA 3.44Å; N590-G642 PolarHBondContact O-N 3.49Å |
| 591 | A | 98 | Very high | 97.9 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 123.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | V586 Y606 D607 L617 T640 V643 | V586-A591 HydrophobicContact CB-CB 4.31Å; V586-A591 HydrophobicContact CG1-CB 3.74Å; V586-A591 HydrophobicContact CG2-CB 3.81Å; A591-Y606 CarbonylContact O-C 3.57Å; A591-Y606 VanDerWaalsContact O-CA 3.3Å; A591-Y606 WeakPolarHBondContact O-CA 3.27Å; A591-Y606 WeakPolarHBondContact O-CD2 3.1Å; A591-D607 PolarHBondContact N-O 3.29Å; A591-D607 PolarHBondContact O-N 3.28Å; A591-L617 HydrophobicContact CB-CD2 3.52Å; A591-T640 CarbonylContact C-O 3.55Å; A591-T640 VanDerWaalsContact CA-O 3.28Å; A591-T640 WeakPolarHBondContact CA-O 3.3Å; A591-V643 HydrophobicContact CB-CG2 4.39Å |
| 592 | L | 98.3 | Very high | 97.8 | Very high | 33 Ų | 33 | 38.1 Ų | 38.1 | 17% | 0.173 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 121.4 | 164.9 | -177.2 | 63.8 | 0 | 0 | 0 | 108.4 | F604 Y606 P636 T640 | L592-F604 HydrophobicContact CD1-CB 4.38Å; L592-F604 HydrophobicContact CD1-CD1 4.25Å; L592-Y606 HydrophobicContact CB-CD2 4.14Å; L592-Y606 HydrophobicContact CD1-CD2 4.19Å; L592-P636 HydrophobicContact CD2-CB 4.34Å; L592-P636 HydrophobicContact CD2-CG 3.93Å; L592-P636 HydrophobicContact CG-CG 4.03Å; L592-P636 WeakPolarHBondContact O-CD 3.22Å; L592-T640 HydrophobicContact CB-CG2 4.37Å; L592-T640 VanDerWaalsContact CB-OG1 3.25Å; L592-T640 WeakPolarHBondContact CB-OG1 3.48Å; L592-T640 PolarHBondContact N-O 3.47Å |
| 593 | V | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 146.5 | 171.6 | -60.6 | 0 | 0 | 0 | 0 | 109.7 | Y582 M584 F604 S605 L617 I633 V635 V643 | Y582-V593 HydrophobicContact CD2-CG2 4.21Å; Y582-V593 HydrophobicContact CE2-CG2 3.58Å; M584-V593 HydrophobicContact CG-CG1 4.25Å; V593-F604 WeakPolarHBondContact O-CA 3.41Å; V593-S605 PolarHBondContact N-O 3.26Å; V593-S605 PolarHBondContact O-N 3.28Å; V593-L617 HydrophobicContact CG2-CD1 3.44Å; V593-L617 VanDerWaalsContact CG2-CD1 3.44Å; V593-I633 HydrophobicContact CB-CG2 4.2Å; V593-V635 HydrophobicContact CG1-CG2 4.3Å; V593-V643 HydrophobicContact CG1-CG2 3.58Å |
| 594 | A | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 139.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y596 P601 M603 F604 I633 Q634 P636 | A594-Y596 HydrophobicContact CB-CD2 4.11Å; A594-Y596 HydrophobicContact CB-CE2 3.53Å; A594-Y596 WeakPolarHBondContact O-CD2 3.44Å; A594-P601 HydrophobicContact CB-CB 4.3Å; A594-M603 CarbonylContact C-O 3.57Å; A594-M603 WeakPolarHBondContact CA-O 3.42Å; A594-F604 HydrophobicContact CB-CD1 3.64Å; A594-F604 HydrophobicContact CB-CE1 3.73Å; A594-F604 HydrophobicContact CB-CG 4.34Å; A594-I633 WeakPolarHBondContact O-CA 3.19Å; A594-Q634 PolarHBondContact N-O 3.47Å; A594-Q634 PolarHBondContact O-N 3.4Å; A594-P636 HydrophobicContact CB-CG 4.23Å |
| 595 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 128.6 | 165.4 | -175 | 74.4 | 0 | 0 | 0 | 108 | F580 Y582 I602 M603 T621 L623 V631 I633 F653 | F580-L595 HydrophobicContact CB-CD2 4.33Å; Y582-L595 HydrophobicContact CE1-CB 4.19Å; L595-I602 HydrophobicContact CB-CG1 4.27Å; L595-I602 HydrophobicContact CD2-CD1 3.67Å; L595-I602 HydrophobicContact CD2-CG1 4.22Å; L595-I602 HydrophobicContact CG-CD1 3.97Å; L595-I602 HydrophobicContact CG-CG1 4.16Å; L595-I602 WeakPolarHBondContact O-CG1 3.49Å; L595-I602 PolarHBondContact O-N 3.12Å; L595-M603 HydrophobicContact CB-CB 4.23Å; L595-M603 PolarHBondContact N-O 3.5Å; L595-M603 PolarHBondContact O-N 3.35Å; L595-T621 HydrophobicContact CD2-CG2 3.39Å; L595-L623 HydrophobicContact CD2-CD1 4.26Å; L595-V631 HydrophobicContact CD1-CG1 3.67Å; L595-V631 HydrophobicContact CG-CG1 4.18Å; L595-I633 HydrophobicContact CB-CD1 3.98Å; L595-I633 HydrophobicContact CD1-CD1 3.49Å; L595-I633 VanDerWaalsContact CD1-CD1 3.49Å; L595-I633 HydrophobicContact CD1-CG1 4.31Å; L595-I633 HydrophobicContact CG-CD1 4.35Å; L595-F653 HydrophobicContact CD1-CE2 3.8Å; L595-F653 HydrophobicContact CD1-CZ 3.83Å |
| 596 | Y | 98.8 | Very high | 97.8 | Very high | 25 Ų | 25 | 46 Ų | 46 | 10% | 0.098 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 145.1 | 179.5 | -75.6 | -104.3 | 0 | 0 | 0 | 110.7 | A594 G599 E600 P601 V631 Y632 Q634 | A594-Y596 HydrophobicContact CB-CD2 4.11Å; A594-Y596 HydrophobicContact CB-CE2 3.53Å; A594-Y596 WeakPolarHBondContact O-CD2 3.44Å; Y596-G599 WeakPolarHBondContact CD1-O 3.33Å; Y596-E600 CarbonylContact C-O 3.48Å; Y596-E600 VanDerWaalsContact CA-O 3.29Å; Y596-E600 WeakPolarHBondContact CA-O 3.43Å; Y596-P601 HydrophobicContact CD1-CB 4.13Å; Y596-P601 HydrophobicContact CE1-CB 3.77Å; Y596-P601 HydrophobicContact CE1-CG 4.08Å; Y596-P601 HydrophobicContact CE2-CB 4.3Å; Y596-V631 VanDerWaalsContact O-CA 3.3Å; Y596-V631 WeakPolarHBondContact O-CA 3.34Å; Y596-V631 WeakPolarHBondContact O-CG1 3.29Å; Y596-Y632 VanDerWaalsContact CB-CE2 3.46Å; Y596-Y632 VanDerWaalsContact CB-CZ 3.42Å; Y596-Y632 HydrophobicContact CD1-CE2 4.22Å; Y596-Y632 HydrophobicContact CD2-CD2 4.31Å; Y596-Y632 AromaticContact CD2-CE2 3.83Å; Y596-Y632 HydrophobicContact CD2-CE2 3.83Å; Y596-Y632 HydrophobicContact CG-CD2 4.3Å; Y596-Y632 AromaticContact CG-CE2 3.59Å; Y596-Y632 HydrophobicContact CG-CE2 3.59Å; Y596-Y632 AromaticContact CG-CZ 3.8Å; Y596-Y632 PolarHBondContact N-O 3.08Å; Y596-Y632 PolarHBondContact O-N 3.43Å; Y596-Q634 HydrophobicContact CD2-CB 3.86Å; Y596-Q634 HydrophobicContact CE2-CB 3.63Å; Y596-Q634 HydrophobicContact CE2-CG 4.02Å |
| 597 | K | 98.6 | Very high | 97.8 | Very high | 47 Ų | 47 | 47.7 Ų | 47.7 | 20% | 0.204 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 121.1 | 164.6 | -180 | -178 | 177.2 | 178 | 0 | 108.2 | G599 E600 I602 M624 L625 D629 Q630 | K597-G599 PolarHBondContact O-N 3.42Å; K597-G599 VanDerWaalsContact O-N 3.14Å; K597-E600 PolarHBondContact N-O 3.38Å; K597-E600 PolarHBondContact O-N 3.48Å; K597-I602 HydrophobicContact CB-CD1 4.07Å; K597-I602 HydrophobicContact CB-CG1 4.44Å; K597-I602 HydrophobicContact CB-CG2 3.97Å; K597-M624 PolarHBondContact NZ-O 3.4Å; K597-L625 HydrophobicContact CD-CD2 4.01Å; K597-L625 HydrophobicContact CG-CD2 4.48Å; K597-D629 VanDerWaalsContact CE-CG 3.47Å; K597-D629 WeakPolarHBondContact CE-OD2 3.37Å; K597-D629 IonicContact NZ-OD2 2.82Å; K597-D629 PolarHBondContact NZ-OD2 3.23Å; K597-Q630 CarbonylContact C-O 3.48Å; K597-Q630 WeakPolarHBondContact CA-O 3.32Å |
| 598 | N | 98.1 | Very high | 97.8 | Very high | 83 Ų | 83 | 51 Ų | 51 | 44% | 0.444 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 37.1 | 177.4 | -60 | -20 | 0 | 0 | 0 | 114.2 | E600 D629 Q630 | N598-E600 VanDerWaalsContact C-N 3.33Å; N598-E600 PolarHBondContact O-N 3.36Å; N598-D629 PolarHBondContact ND2-OD1 3.12Å; N598-D629 VanDerWaalsContact OD1-CA 3.31Å; N598-D629 WeakPolarHBondContact OD1-CA 3.37Å; N598-Q630 PolarHBondContact N-O 3.47Å; N598-Q630 PolarHBondContact OD1-N 3.47Å |
| 599 | G | 97.4 | Very high | 97.9 | Very high | 43 Ų | 43 | 51.3 Ų | 51.3 | 44% | 0.443 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | -7.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y596 K597 Y632 | Y596-G599 WeakPolarHBondContact CD1-O 3.33Å; K597-G599 PolarHBondContact O-N 3.42Å; K597-G599 VanDerWaalsContact O-N 3.14Å; G599-Y632 WeakPolarHBondContact CA-OH 3.32Å |
| 600 | E | 98 | Very high | 97.9 | Very high | 142 Ų | 142 | 54.2 Ų | 54.2 | 66% | 0.664 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 130.3 | 175.2 | -64.6 | -169 | 161.8 | 0 | 0 | 111.2 | Y596 K597 N598 I602 | Y596-E600 CarbonylContact C-O 3.48Å; Y596-E600 VanDerWaalsContact CA-O 3.29Å; Y596-E600 WeakPolarHBondContact CA-O 3.43Å; K597-E600 PolarHBondContact N-O 3.38Å; K597-E600 PolarHBondContact O-N 3.48Å; N598-E600 VanDerWaalsContact C-N 3.33Å; N598-E600 PolarHBondContact O-N 3.36Å; E600-I602 PolarHBondContact O-N 3.28Å |
| 601 | P | 97.8 | Very high | 97.8 | Very high | 57 Ų | 57 | 60.7 Ų | 60.7 | 37% | 0.37 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 127.7 | 174.8 | 29.5 | -32 | 0 | 0 | 0 | 109.9 | A594 Y596 F604 | A594-P601 HydrophobicContact CB-CB 4.3Å; Y596-P601 HydrophobicContact CD1-CB 4.13Å; Y596-P601 HydrophobicContact CE1-CB 3.77Å; Y596-P601 HydrophobicContact CE1-CG 4.08Å; Y596-P601 HydrophobicContact CE2-CB 4.3Å; P601-F604 HydrophobicContact CB-CE1 4.12Å; P601-F604 HydrophobicContact CB-CE2 3.88Å; P601-F604 HydrophobicContact CB-CZ 3.45Å; P601-F604 VanDerWaalsContact CB-CZ 3.45Å; P601-F604 HydrophobicContact CG-CE2 4.19Å; P601-F604 HydrophobicContact CG-CZ 3.67Å |
| 602 | I | 97.7 | Very high | 97.5 | Very high | 70 Ų | 70 | 63.7 Ų | 63.7 | 36% | 0.359 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | -19.7 | -175.8 | 51.7 | 161.1 | 0 | 0 | 0 | 113.2 | L595 K597 E600 L623 | L595-I602 HydrophobicContact CB-CG1 4.27Å; L595-I602 HydrophobicContact CD2-CD1 3.67Å; L595-I602 HydrophobicContact CD2-CG1 4.22Å; L595-I602 HydrophobicContact CG-CD1 3.97Å; L595-I602 HydrophobicContact CG-CG1 4.16Å; L595-I602 WeakPolarHBondContact O-CG1 3.49Å; L595-I602 PolarHBondContact O-N 3.12Å; K597-I602 HydrophobicContact CB-CD1 4.07Å; K597-I602 HydrophobicContact CB-CG1 4.44Å; K597-I602 HydrophobicContact CB-CG2 3.97Å; E600-I602 PolarHBondContact O-N 3.28Å; I602-L623 HydrophobicContact CD1-CD1 3.31Å; I602-L623 HydrophobicContact CD1-CD2 3.52Å; I602-L623 HydrophobicContact CD1-CG 4.03Å |
| 603 | M | 98.3 | Very high | 97.3 | Very high | 47 Ų | 47 | 69.3 Ų | 69.3 | 23% | 0.232 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 133.1 | 177.6 | 173.5 | 176.1 | -75.5 | 0 | 0 | 109.2 | Y582 A594 L595 S620 T621 | Y582-M603 HydrophobicContact CE1-SD 4.32Å; A594-M603 CarbonylContact C-O 3.57Å; A594-M603 WeakPolarHBondContact CA-O 3.42Å; L595-M603 HydrophobicContact CB-CB 4.23Å; L595-M603 PolarHBondContact N-O 3.5Å; L595-M603 PolarHBondContact O-N 3.35Å; M603-S620 WeakPolarHBondContact CE-O 3.27Å; M603-T621 HydrophobicContact CE-CG2 4.36Å |
| 604 | F | 98.2 | Very high | 97.2 | Very high | 116 Ų | 116 | 73.3 Ų | 73.3 | 51% | 0.509 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 138.5 | 172.6 | -64.7 | -91.2 | 0 | 0 | 0 | 109.3 | L592 V593 A594 P601 P636 | L592-F604 HydrophobicContact CD1-CB 4.38Å; L592-F604 HydrophobicContact CD1-CD1 4.25Å; V593-F604 WeakPolarHBondContact O-CA 3.41Å; A594-F604 HydrophobicContact CB-CD1 3.64Å; A594-F604 HydrophobicContact CB-CE1 3.73Å; A594-F604 HydrophobicContact CB-CG 4.34Å; P601-F604 HydrophobicContact CB-CE1 4.12Å; P601-F604 HydrophobicContact CB-CE2 3.88Å; P601-F604 HydrophobicContact CB-CZ 3.45Å; P601-F604 VanDerWaalsContact CB-CZ 3.45Å; P601-F604 HydrophobicContact CG-CE2 4.19Å; P601-F604 HydrophobicContact CG-CZ 3.67Å; F604-P636 HydrophobicContact CE1-CG 4.48Å |
| 605 | S | 98.4 | Very high | 97.2 | Very high | 20 Ų | 20 | 76.7 Ų | 76.7 | 14% | 0.14 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 126.8 | 168.7 | -73.6 | 0 | 0 | 0 | 0 | 108.3 | Y582 V593 | Y582-S605 PolarHBondContact OH-OG 3.21Å; V593-S605 PolarHBondContact N-O 3.26Å; V593-S605 PolarHBondContact O-N 3.28Å |
| 606 | Y | 98.2 | Very high | 97.1 | Very high | 109 Ų | 109 | 80.4 Ų | 80.4 | 43% | 0.427 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 142.1 | -179 | 176.9 | -101.9 | 0 | 0 | 0 | 109.6 | N590 A591 L592 E608 T640 | N590-Y606 HydrophobicContact CB-CE2 3.95Å; N590-Y606 PolarHBondContact ND2-OH 3.17Å; A591-Y606 CarbonylContact O-C 3.57Å; A591-Y606 VanDerWaalsContact O-CA 3.3Å; A591-Y606 WeakPolarHBondContact O-CA 3.27Å; A591-Y606 WeakPolarHBondContact O-CD2 3.1Å; L592-Y606 HydrophobicContact CB-CD2 4.14Å; L592-Y606 HydrophobicContact CD1-CD2 4.19Å; Y606-E608 HydrophobicContact CD1-CG 4.41Å; Y606-E608 HydrophobicContact CE1-CG 3.41Å; Y606-E608 VanDerWaalsContact CE1-CG 3.41Å; Y606-T640 HydrophobicContact CE2-CG2 4.4Å |
| 607 | D | 98.1 | Very high | 97.1 | Very high | 34 Ų | 34 | 79.7 Ų | 79.7 | 18% | 0.182 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 146.1 | 174.4 | -163.2 | 2.7 | 0 | 0 | 0 | 110.8 | V586 A591 L617 | V586-D607 HydrophobicContact CG2-CB 3.99Å; A591-D607 PolarHBondContact N-O 3.29Å; A591-D607 PolarHBondContact O-N 3.28Å; D607-L617 HydrophobicContact CB-CB 3.77Å; D607-L617 HydrophobicContact CB-CD2 3.82Å; D607-L617 HydrophobicContact CB-CG 4.43Å |
| 608 | E | 97.3 | Very high | 97 | Very high | 111 Ų | 111 | 79.9 Ų | 79.9 | 52% | 0.519 | 42% | 0.416 | S | S | . | . | trans | -98.2 | 130.2 | -174.1 | -65 | -169.5 | 155.9 | 0 | 0 | 110.7 | Y606 N610 | Y606-E608 HydrophobicContact CD1-CG 4.41Å; Y606-E608 HydrophobicContact CE1-CG 3.41Å; Y606-E608 VanDerWaalsContact CE1-CG 3.41Å; E608-N610 PolarHBondContact O-N 3.29Å | ||
| 609 | Y | 96.9 | Very high | 97 | Very high | 50 Ų | 50 | 76.4 Ų | 76.4 | 20% | 0.196 | 40% | 0.399 | C | S | . | . | trans | -83.4 | 115.1 | 176.2 | 170.4 | -117.5 | 0 | 0 | 0 | 111.2 | N587 G588 A589 N590 G612 F613 | N587-Y609 VanDerWaalsContact OD1-CE2 3.23Å; N587-Y609 WeakPolarHBondContact OD1-CE2 3.18Å; N587-Y609 PolarHBondContact OD1-OH 3.27Å; G588-Y609 VanDerWaalsContact CA-CE1 3.47Å; A589-Y609 WeakPolarHBondContact O-CB 3.48Å; N590-Y609 PolarHBondContact OD1-N 3.21Å; Y609-G612 PolarHBondContact OH-N 3.2Å; Y609-F613 WeakPolarHBondContact CD2-O 3.29Å; Y609-F613 WeakPolarHBondContact CE2-O 3.45Å | ||
| 610 | N | 94.9 | Very high | 97.1 | Very high | 95 Ų | 95 | 76.9 Ų | 76.9 | 51% | 0.508 | 40% | 0.396 | S | S | . | . | trans | -84.8 | 117.6 | 168.2 | -71.6 | -58.4 | 0 | 0 | 0 | 110.1 | E608 G612 F613 | E608-N610 PolarHBondContact O-N 3.29Å; N610-G612 PolarHBondContact O-N 2.88Å; N610-G612 VanDerWaalsContact O-N 3.09Å; N610-F613 HydrophobicContact CB-CB 4.31Å; N610-F613 HydrophobicContact CB-CD2 4.26Å; N610-F613 WeakPolarHBondContact O-CB 3.49Å; N610-F613 PolarHBondContact O-N 3.26Å | ||
| 611 | K | 94.4 | Very high | 97.1 | Very high | 191 Ų | 191 | 71.8 Ų | 71.8 | 83% | 0.83 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | 118.5 | -174.2 | -172.6 | 177.6 | -178.4 | 176.7 | 0 | 112.5 | ||
| 612 | G | 92.4 | Very high | 97.2 | Very high | 63 Ų | 63 | 72.5 Ų | 72.5 | 65% | 0.649 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.1 | -0 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y609 N610 | Y609-G612 PolarHBondContact OH-N 3.2Å; N610-G612 PolarHBondContact O-N 2.88Å; N610-G612 VanDerWaalsContact O-N 3.09Å |
| 613 | F | 95.4 | Very high | 97.2 | Very high | 152 Ų | 152 | 70.2 Ų | 70.2 | 67% | 0.667 | 37% | 0.366 | S | S | * | . | trans | -121.5 | 122.7 | -179.5 | -61.3 | -85.7 | 0 | 0 | 0 | 110.3 | Y609 N610 | Y609-F613 WeakPolarHBondContact CD2-O 3.29Å; Y609-F613 WeakPolarHBondContact CE2-O 3.45Å; N610-F613 HydrophobicContact CB-CB 4.31Å; N610-F613 HydrophobicContact CB-CD2 4.26Å; N610-F613 WeakPolarHBondContact O-CB 3.49Å; N610-F613 PolarHBondContact O-N 3.26Å | ||
| 614 | L | 95.6 | Very high | 97.2 | Very high | 85 Ų | 85 | 72.7 Ų | 72.7 | 45% | 0.445 | 38% | 0.378 | S | S | . | . | trans | -74.2 | 130.9 | 170.4 | -176.8 | 72 | 0 | 0 | 0 | 108.7 | H585 N587 F644 V649 | H585-L614 HydrophobicContact CB-CD1 4.05Å; N587-L614 HydrophobicContact CB-CD1 3.79Å; L614-F644 HydrophobicContact CD1-CD1 3.95Å; L614-V649 HydrophobicContact CD2-CG1 4.34Å | ||
| 615 | D | 97.8 | Very high | 97.2 | Very high | 70 Ų | 70 | 67.1 Ų | 67.1 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 178.9 | 173.1 | -140.3 | -28 | 0 | 0 | 0 | 112.1 | H585 V586 | H585-D615 WeakPolarHBondContact CA-O 3.4Å; V586-D615 HydrophobicContact CB-CB 4.16Å; V586-D615 PolarHBondContact N-O 3.47Å; V586-D615 PolarHBondContact O-N 3.39Å; V586-D615 VanDerWaalsContact O-N 3.08Å |
| 616 | Q | 97.6 | Very high | 97.1 | Very high | 79 Ų | 79 | 71.1 Ų | 71.1 | 37% | 0.369 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 117.3 | -174.5 | -162.9 | -68.5 | -70.1 | 0 | 0 | 110.8 | M584 S618 | M584-Q616 CarbonylContact O-C 3.59Å; M584-Q616 WeakPolarHBondContact O-CA 3.4Å; M584-Q616 PolarHBondContact O-NE2 3.23Å; Q616-S618 VanDerWaalsContact CD-OG 3.24Å; Q616-S618 PolarHBondContact NE2-OG 3.45Å; Q616-S618 PolarHBondContact OE1-OG 3.12Å |
| 617 | L | 97.2 | Very high | 97 | Very high | 9 Ų | 9 | 68 Ų | 68 | 5% | 0.047 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 137.4 | 173.3 | 72.2 | 84.3 | 0 | 0 | 0 | 111.6 | Y582 M584 V586 A591 V593 D607 | Y582-L617 HydrophobicContact CD2-CD1 4.49Å; Y582-L617 HydrophobicContact CE2-CD1 4.23Å; M584-L617 HydrophobicContact CB-CD1 3.8Å; M584-L617 HydrophobicContact CB-CG 3.9Å; M584-L617 HydrophobicContact CG-CD1 3.78Å; M584-L617 HydrophobicContact CG-CG 4.43Å; M584-L617 PolarHBondContact N-O 3.41Å; M584-L617 PolarHBondContact O-N 3.33Å; V586-L617 HydrophobicContact CG2-CB 4.25Å; V586-L617 HydrophobicContact CG2-CD2 3.61Å; V586-L617 HydrophobicContact CG2-CG 3.98Å; A591-L617 HydrophobicContact CB-CD2 3.52Å; V593-L617 HydrophobicContact CG2-CD1 3.44Å; V593-L617 VanDerWaalsContact CG2-CD1 3.44Å; D607-L617 HydrophobicContact CB-CB 3.77Å; D607-L617 HydrophobicContact CB-CD2 3.82Å; D607-L617 HydrophobicContact CB-CG 4.43Å |
| 618 | S | 98.3 | Very high | 97 | Very high | 52 Ų | 52 | 73 Ų | 73 | 36% | 0.364 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 148.5 | 179.7 | -62.6 | 0 | 0 | 0 | 0 | 111 | Y582 H583 Q616 | Y582-S618 VanDerWaalsContact O-CA 3.32Å; Y582-S618 WeakPolarHBondContact O-CA 3.09Å; H583-S618 PolarHBondContact ND1-OG 3.49Å; Q616-S618 VanDerWaalsContact CD-OG 3.24Å; Q616-S618 PolarHBondContact NE2-OG 3.45Å; Q616-S618 PolarHBondContact OE1-OG 3.12Å |
| 619 | G | 98.2 | Very high | 97 | Very high | 9 Ų | 9 | 68.4 Ų | 68.4 | 9% | 0.093 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 151.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | S581 Y582 | S581-G619 VanDerWaalsContact CA-O 3.3Å; S581-G619 WeakPolarHBondContact CA-O 3.36Å; S581-G619 PolarHBondContact OG-O 3.22Å; Y582-G619 PolarHBondContact N-O 3.46Å; Y582-G619 PolarHBondContact O-N 3.14Å |
| 620 | S | 98.5 | Very high | 97.1 | Very high | 54 Ų | 54 | 70 Ų | 70 | 38% | 0.378 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 148.5 | 171.3 | 71.1 | 0 | 0 | 0 | 0 | 111.7 | Y579 F580 M603 | Y579-S620 WeakPolarHBondContact OH-CB 3.4Å; Y579-S620 PolarHBondContact OH-OG 3.49Å; Y579-S620 VanDerWaalsContact OH-OG 3.11Å; F580-S620 CarbonylContact O-C 3.52Å; F580-S620 WeakPolarHBondContact O-CA 3.5Å; F580-S620 VanDerWaalsContact O-CB 3.27Å; F580-S620 WeakPolarHBondContact O-CB 3.33Å; M603-S620 WeakPolarHBondContact CE-O 3.27Å |
| 621 | T | 98.5 | Very high | 97.3 | Very high | 35 Ų | 35 | 65.4 Ų | 65.4 | 22% | 0.215 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 162.1 | -179.7 | -167.7 | 0 | 0 | 0 | 0 | 111.7 | F580 L595 M603 L623 | F580-T621 PolarHBondContact N-O 3.37Å; F580-T621 PolarHBondContact O-N 2.95Å; L595-T621 HydrophobicContact CD2-CG2 3.39Å; M603-T621 HydrophobicContact CE-CG2 4.36Å; T621-L623 HydrophobicContact CG2-CD1 4.17Å; T621-L623 HydrophobicContact CG2-CD2 3.94Å; T621-L623 HydrophobicContact CG2-CG 3.88Å |
| 622 | V | 98.4 | Very high | 97.5 | Very high | 72 Ų | 72 | 57.5 Ų | 57.5 | 44% | 0.436 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 128.7 | 172.6 | 178.2 | 0 | 0 | 0 | 0 | 108.7 | L577 Y578 Y579 I658 | L577-V622 HydrophobicContact CD1-CG1 3.48Å; L577-V622 VanDerWaalsContact CD1-CG1 3.48Å; L577-V622 HydrophobicContact CD2-CG1 3.83Å; L577-V622 HydrophobicContact CG-CG1 3.46Å; L577-V622 VanDerWaalsContact CG-CG1 3.46Å; Y578-V622 CarbonylContact O-C 3Å; Y578-V622 VanDerWaalsContact O-CA 3.22Å; Y578-V622 WeakPolarHBondContact O-CA 3.21Å; Y579-V622 HydrophobicContact CD2-CG2 3.97Å; V622-I658 HydrophobicContact CG1-CD1 3.98Å; V622-I658 HydrophobicContact CG2-CD1 4.14Å |
| 623 | L | 97.9 | Very high | 97.8 | Very high | 22 Ų | 22 | 54.5 Ų | 54.5 | 12% | 0.115 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 135.3 | -177.3 | -57.1 | 175.1 | 0 | 0 | 0 | 111 | Y578 F580 L595 I602 T621 L625 V631 | Y578-L623 PolarHBondContact N-O 3.36Å; Y578-L623 PolarHBondContact O-N 3.24Å; F580-L623 HydrophobicContact CD2-CD1 3.76Å; F580-L623 HydrophobicContact CD2-CG 4.25Å; F580-L623 HydrophobicContact CE2-CB 4.44Å; F580-L623 HydrophobicContact CE2-CD1 3.95Å; L595-L623 HydrophobicContact CD2-CD1 4.26Å; I602-L623 HydrophobicContact CD1-CD1 3.31Å; I602-L623 HydrophobicContact CD1-CD2 3.52Å; I602-L623 HydrophobicContact CD1-CG 4.03Å; T621-L623 HydrophobicContact CG2-CD1 4.17Å; T621-L623 HydrophobicContact CG2-CD2 3.94Å; T621-L623 HydrophobicContact CG2-CG 3.88Å; L623-L625 HydrophobicContact CB-CD2 3.91Å; L623-L625 HydrophobicContact CB-CG 4.34Å; L623-L625 HydrophobicContact CD1-CD2 4.45Å; L623-V631 HydrophobicContact CD1-CG1 4.42Å; L623-V631 HydrophobicContact CD1-CG2 4.39Å |
| 624 | M | 98.1 | Very high | 98 | Very high | 98 Ų | 98 | 48.3 Ų | 48.3 | 48% | 0.483 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 121.3 | 161.9 | -171.3 | 63.4 | 73.5 | 0 | 0 | 108.4 | G576 L577 K597 T661 | G576-M624 VanDerWaalsContact C-SD 3.51Å; L577-M624 HydrophobicContact CB-CE 4.44Å; L577-M624 HydrophobicContact CD1-CE 3.97Å; K597-M624 PolarHBondContact NZ-O 3.4Å; M624-T661 HydrophobicContact CE-CG2 4.07Å; M624-T661 HydrophobicContact SD-CG2 3.82Å |
| 625 | L | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 135.2 | 179.1 | -58.8 | -171.4 | 0 | 0 | 0 | 110.7 | F570 C572 P575 G576 Y578 F580 K597 L623 D629 V631 | F570-L625 HydrophobicContact CD1-CD1 4.35Å; F570-L625 HydrophobicContact CE1-CD1 3.78Å; C572-L625 HydrophobicContact CB-CB 4.13Å; C572-L625 HydrophobicContact CB-CD1 4.09Å; P575-L625 WeakPolarHBondContact CA-O 3.26Å; G576-L625 PolarHBondContact N-O 3.09Å; G576-L625 PolarHBondContact O-N 2.94Å; Y578-L625 HydrophobicContact CD1-CD1 4.45Å; Y578-L625 HydrophobicContact CD2-CB 3.86Å; Y578-L625 HydrophobicContact CD2-CD1 3.65Å; Y578-L625 HydrophobicContact CD2-CG 3.78Å; Y578-L625 HydrophobicContact CE2-CB 4.07Å; Y578-L625 HydrophobicContact CE2-CD1 4.11Å; Y578-L625 HydrophobicContact CE2-CG 4.39Å; Y578-L625 HydrophobicContact CG-CD1 3.83Å; Y578-L625 HydrophobicContact CG-CG 4.28Å; F580-L625 HydrophobicContact CE2-CD1 3.84Å; F580-L625 HydrophobicContact CZ-CD1 3.8Å; K597-L625 HydrophobicContact CD-CD2 4.01Å; K597-L625 HydrophobicContact CG-CD2 4.48Å; L623-L625 HydrophobicContact CB-CD2 3.91Å; L623-L625 HydrophobicContact CB-CG 4.34Å; L623-L625 HydrophobicContact CD1-CD2 4.45Å; L625-D629 WeakPolarHBondContact CA-OD2 3.43Å; L625-D629 HydrophobicContact CB-CB 4.21Å; L625-D629 HydrophobicContact CD2-CB 4.12Å; L625-V631 HydrophobicContact CD1-CG2 3.9Å; L625-V631 HydrophobicContact CD2-CG2 3.9Å |
| 626 | N | 98.1 | Very high | 97.9 | Very high | 103 Ų | 103 | 42.7 Ų | 42.7 | 55% | 0.551 | 24% | 0.236 | S | C | * | . | trans | -86.5 | 168.2 | 165.5 | -64.3 | -43.5 | 0 | 0 | 0 | 110 | C572 H628 D629 | C572-N626 VanDerWaalsContact CB-O 3.29Å; C572-N626 WeakPolarHBondContact CB-O 3.41Å; C572-N626 PolarHBondContact SG-O 3.36Å; N626-H628 PolarHBondContact O-N 3.43Å; N626-D629 PolarHBondContact N-OD2 3.27Å; N626-D629 WeakPolarHBondContact O-CB 3.34Å; N626-D629 PolarHBondContact O-N 3.43Å | ||
| 627 | A | 95.9 | Very high | 97.8 | Very high | 44 Ų | 44 | 41.6 Ų | 41.6 | 36% | 0.364 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 138.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | P575 D629 | P575-A627 HydrophobicContact CG-CB 4.01Å; A627-D629 PolarHBondContact O-N 3.17Å |
| 628 | H | 96.8 | Very high | 97.6 | Very high | 138 Ų | 138 | 47 Ų | 47 | 64% | 0.639 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | 1.9 | -177.9 | -45.2 | -63.6 | 0 | 0 | 0 | 116.4 | C572 N626 Q630 | C572-H628 WeakPolarHBondContact O-CA 3.43Å; C572-H628 PolarHBondContact O-N 3.3Å; N626-H628 PolarHBondContact O-N 3.43Å; H628-Q630 PolarHBondContact O-N 3.33Å |
| 629 | D | 98.6 | Very high | 97.4 | Very high | 16 Ų | 16 | 53 Ų | 53 | 9% | 0.086 | 28% | 0.281 | C | S | . | . | trans | -59.9 | 135.8 | 168.5 | -80.3 | -12.6 | 0 | 0 | 0 | 109.8 | C572 K597 N598 L625 N626 A627 | C572-D629 HydrophobicContact CB-CB 4.27Å; C572-D629 VanDerWaalsContact CB-O 3.3Å; C572-D629 WeakPolarHBondContact CB-O 3.08Å; C572-D629 PolarHBondContact N-O 3.47Å; K597-D629 VanDerWaalsContact CE-CG 3.47Å; K597-D629 WeakPolarHBondContact CE-OD2 3.37Å; K597-D629 IonicContact NZ-OD2 2.82Å; K597-D629 PolarHBondContact NZ-OD2 3.23Å; N598-D629 PolarHBondContact ND2-OD1 3.12Å; N598-D629 VanDerWaalsContact OD1-CA 3.31Å; N598-D629 WeakPolarHBondContact OD1-CA 3.37Å; L625-D629 WeakPolarHBondContact CA-OD2 3.43Å; L625-D629 HydrophobicContact CB-CB 4.21Å; L625-D629 HydrophobicContact CD2-CB 4.12Å; N626-D629 PolarHBondContact N-OD2 3.27Å; N626-D629 WeakPolarHBondContact O-CB 3.34Å; N626-D629 PolarHBondContact O-N 3.43Å; A627-D629 PolarHBondContact O-N 3.17Å | ||
| 630 | Q | 98.8 | Very high | 97.2 | Very high | 82 Ų | 82 | 53.8 Ų | 53.8 | 38% | 0.383 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 136.5 | -179.7 | -68.4 | -174.8 | -29.5 | 0 | 0 | 110.9 | I569 F570 K597 N598 H628 | I569-Q630 HydrophobicContact CG2-CB 3.83Å; I569-Q630 HydrophobicContact CG2-CG 3.97Å; F570-Q630 CarbonylContact O-C 3.53Å; F570-Q630 VanDerWaalsContact O-CA 3.26Å; F570-Q630 WeakPolarHBondContact O-CA 3.39Å; K597-Q630 CarbonylContact C-O 3.48Å; K597-Q630 WeakPolarHBondContact CA-O 3.32Å; N598-Q630 PolarHBondContact N-O 3.47Å; N598-Q630 PolarHBondContact OD1-N 3.47Å; H628-Q630 PolarHBondContact O-N 3.33Å |
| 631 | V | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 133.1 | 179 | -175.1 | 0 | 0 | 0 | 0 | 110.1 | F570 F580 L595 Y596 L623 L625 F653 | F570-V631 HydrophobicContact CB-CB 4.48Å; F570-V631 WeakPolarHBondContact CB-O 3.42Å; F570-V631 HydrophobicContact CD1-CB 4.27Å; F570-V631 HydrophobicContact CD1-CG2 4.44Å; F570-V631 PolarHBondContact N-O 3.44Å; F570-V631 PolarHBondContact O-N 3.17Å; F580-V631 HydrophobicContact CD1-CG1 3.95Å; F580-V631 HydrophobicContact CD2-CG1 4.33Å; F580-V631 HydrophobicContact CE1-CB 3.93Å; F580-V631 HydrophobicContact CE1-CG1 3.74Å; F580-V631 HydrophobicContact CE1-CG2 4.41Å; F580-V631 HydrophobicContact CE2-CB 4.43Å; F580-V631 HydrophobicContact CE2-CG1 4.16Å; F580-V631 HydrophobicContact CE2-CG2 4.09Å; F580-V631 HydrophobicContact CG-CG1 4.24Å; F580-V631 HydrophobicContact CZ-CB 3.84Å; F580-V631 HydrophobicContact CZ-CG1 3.87Å; F580-V631 HydrophobicContact CZ-CG2 3.8Å; L595-V631 HydrophobicContact CD1-CG1 3.67Å; L595-V631 HydrophobicContact CG-CG1 4.18Å; Y596-V631 VanDerWaalsContact O-CA 3.3Å; Y596-V631 WeakPolarHBondContact O-CA 3.34Å; Y596-V631 WeakPolarHBondContact O-CG1 3.29Å; L623-V631 HydrophobicContact CD1-CG1 4.42Å; L623-V631 HydrophobicContact CD1-CG2 4.39Å; L625-V631 HydrophobicContact CD1-CG2 3.9Å; L625-V631 HydrophobicContact CD2-CG2 3.9Å; V631-F653 HydrophobicContact CG1-CZ 4.27Å |
| 632 | Y | 98.9 | Very high | 97.1 | Very high | 24 Ų | 24 | 50 Ų | 50 | 9% | 0.094 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 163.8 | -179.6 | 58.1 | -91.1 | 0 | 0 | 0 | 111.9 | P549 G568 I569 Y596 G599 Q634 | P549-Y632 HydrophobicContact CB-CD2 3.7Å; P549-Y632 HydrophobicContact CB-CE2 4.31Å; P549-Y632 HydrophobicContact CB-CG 4.01Å; P549-Y632 HydrophobicContact CG-CD2 3.66Å; P549-Y632 HydrophobicContact CG-CE2 3.78Å; P549-Y632 HydrophobicContact CG-CG 4.04Å; G568-Y632 WeakPolarHBondContact O-CB 3.22Å; I569-Y632 HydrophobicContact CG1-CD1 4.16Å; I569-Y632 HydrophobicContact CG1-CG 4.32Å; I569-Y632 HydrophobicContact CG2-CD1 4.47Å; Y596-Y632 VanDerWaalsContact CB-CE2 3.46Å; Y596-Y632 VanDerWaalsContact CB-CZ 3.42Å; Y596-Y632 HydrophobicContact CD1-CE2 4.22Å; Y596-Y632 HydrophobicContact CD2-CD2 4.31Å; Y596-Y632 AromaticContact CD2-CE2 3.83Å; Y596-Y632 HydrophobicContact CD2-CE2 3.83Å; Y596-Y632 HydrophobicContact CG-CD2 4.3Å; Y596-Y632 AromaticContact CG-CE2 3.59Å; Y596-Y632 HydrophobicContact CG-CE2 3.59Å; Y596-Y632 AromaticContact CG-CZ 3.8Å; Y596-Y632 PolarHBondContact N-O 3.08Å; Y596-Y632 PolarHBondContact O-N 3.43Å; G599-Y632 WeakPolarHBondContact CA-OH 3.32Å; Y632-Q634 HydrophobicContact CD2-CB 4.17Å; Y632-Q634 HydrophobicContact CE2-CB 4.05Å |
| 633 | I | 98.8 | Very high | 97 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 140.9 | 169.9 | -58.8 | -69.3 | 0 | 0 | 0 | 109 | P549 V550 F552 Y582 M584 V593 A594 L595 F653 | P549-I633 CarbonylContact C-O 3.49Å; P549-I633 WeakPolarHBondContact CA-O 3.48Å; V550-I633 PolarHBondContact N-O 3.4Å; F552-I633 HydrophobicContact CE2-CB 4.07Å; F552-I633 HydrophobicContact CE2-CG1 4.35Å; F552-I633 HydrophobicContact CZ-CB 4.34Å; Y582-I633 HydrophobicContact CD1-CD1 3.35Å; Y582-I633 HydrophobicContact CD1-CG1 4.4Å; Y582-I633 HydrophobicContact CD2-CD1 4.26Å; Y582-I633 HydrophobicContact CE1-CD1 3.68Å; Y582-I633 HydrophobicContact CG-CD1 3.65Å; Y582-I633 HydrophobicContact CG-CG1 4.37Å; M584-I633 HydrophobicContact CE-CB 4.47Å; M584-I633 HydrophobicContact CE-CG1 4.27Å; M584-I633 HydrophobicContact CE-CG2 3.86Å; V593-I633 HydrophobicContact CB-CG2 4.2Å; A594-I633 WeakPolarHBondContact O-CA 3.19Å; L595-I633 HydrophobicContact CB-CD1 3.98Å; L595-I633 HydrophobicContact CD1-CD1 3.49Å; L595-I633 VanDerWaalsContact CD1-CD1 3.49Å; L595-I633 HydrophobicContact CD1-CG1 4.31Å; L595-I633 HydrophobicContact CG-CD1 4.35Å; I633-F653 HydrophobicContact CD1-CD2 4.31Å; I633-F653 HydrophobicContact CD1-CE2 4.22Å; I633-F653 HydrophobicContact CG1-CB 4.48Å; I633-F653 HydrophobicContact CG1-CD1 4.1Å; I633-F653 HydrophobicContact CG1-CD2 3.83Å; I633-F653 HydrophobicContact CG1-CE1 4.26Å; I633-F653 HydrophobicContact CG1-CE2 4Å; I633-F653 HydrophobicContact CG1-CG 3.89Å; I633-F653 HydrophobicContact CG1-CZ 4.21Å |
| 634 | Q | 98.4 | Very high | 97 | Very high | 21 Ų | 21 | 47.9 Ų | 47.9 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 145.9 | 173.1 | 163.1 | 176.7 | -20.6 | 0 | 0 | 110.2 | G547 S548 A594 Y596 Y632 | G547-Q634 PolarHBondContact O-NE2 2.92Å; S548-Q634 WeakPolarHBondContact O-CG 3.24Å; A594-Q634 PolarHBondContact N-O 3.47Å; A594-Q634 PolarHBondContact O-N 3.4Å; Y596-Q634 HydrophobicContact CD2-CB 3.86Å; Y596-Q634 HydrophobicContact CE2-CB 3.63Å; Y596-Q634 HydrophobicContact CE2-CG 4.02Å; Y632-Q634 HydrophobicContact CD2-CB 4.17Å; Y632-Q634 HydrophobicContact CE2-CB 4.05Å |
| 635 | V | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -84.6 | 118.8 | 165.2 | 179.6 | 0 | 0 | 0 | 0 | 107.6 | P544 A546 G547 V550 V593 D637 N641 V643 | P544-V635 HydrophobicContact CG-CG2 4.13Å; A546-V635 WeakPolarHBondContact CA-O 3.25Å; A546-V635 HydrophobicContact CB-CB 4.38Å; A546-V635 HydrophobicContact CB-CG1 4.14Å; G547-V635 PolarHBondContact N-O 3.44Å; V550-V635 HydrophobicContact CG2-CG2 4.34Å; V593-V635 HydrophobicContact CG1-CG2 4.3Å; V635-D637 WeakPolarHBondContact CG1-O 3.34Å; V635-N641 HydrophobicContact CG1-CB 3.92Å; V635-V643 HydrophobicContact CG2-CG2 3.94Å | ||
| 636 | P | 94.9 | Very high | 96.7 | Very high | 37 Ų | 37 | 44.6 Ų | 44.6 | 24% | 0.24 | 23% | 0.23 | C | C | . | . | trans | -66.1 | -39.6 | -173.3 | -25.6 | 37.1 | 0 | 0 | 0 | 114.6 | L592 A594 F604 | L592-P636 HydrophobicContact CD2-CB 4.34Å; L592-P636 HydrophobicContact CD2-CG 3.93Å; L592-P636 HydrophobicContact CG-CG 4.03Å; L592-P636 WeakPolarHBondContact O-CD 3.22Å; A594-P636 HydrophobicContact CB-CG 4.23Å; F604-P636 HydrophobicContact CE1-CG 4.48Å | ||
| 637 | D | 93.7 | Very high | 96.3 | Very high | 57 Ų | 57 | 46.5 Ų | 46.5 | 31% | 0.305 | 24% | 0.24 | S | C | . | . | trans | -144.2 | 158.1 | -175.4 | 62.4 | 82.4 | 0 | 0 | 0 | 112.4 | A546 V635 E639 T640 | A546-D637 VanDerWaalsContact CB-C 3.48Å; V635-D637 WeakPolarHBondContact CG1-O 3.34Å; D637-E639 VanDerWaalsContact C-N 3.34Å; D637-E639 WeakPolarHBondContact OD1-CB 3.17Å; D637-E639 PolarHBondContact OD1-N 3.45Å; D637-E639 VanDerWaalsContact OD1-N 3.16Å; D637-T640 PolarHBondContact OD1-N 3.46Å; D637-T640 PolarHBondContact OD1-OG1 3.3Å; D637-T640 PolarHBondContact OD2-OG1 3.4Å; D637-T640 VanDerWaalsContact OD2-OG1 3.05Å | ||
| 638 | E | 93.9 | Very high | 96.1 | Very high | 123 Ų | 123 | 50.9 Ų | 50.9 | 58% | 0.575 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -73.8 | -22.5 | -179 | -73.1 | -64.6 | 165.4 | 0 | 0 | 113.4 | A546 T640 N641 | A546-E638 HydrophobicContact CB-CB 4.49Å; A546-E638 HydrophobicContact CB-CG 3.8Å; A546-E638 WeakPolarHBondContact CB-OE1 3.18Å; A546-E638 PolarHBondContact N-OE1 3.44Å; A546-E638 VanDerWaalsContact N-OE1 3.09Å; E638-T640 PolarHBondContact O-N 3.43Å; E638-N641 PolarHBondContact O-N 3.17Å; E638-N641 PolarHBondContact OE2-ND2 3.05Å |
| 639 | E | 93.8 | Very high | 96 | Very high | 178 Ų | 178 | 45.5 Ų | 45.5 | 83% | 0.832 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -29.3 | -179 | -63.5 | -175.8 | 177.3 | 0 | 0 | 111.5 | D637 | D637-E639 VanDerWaalsContact C-N 3.34Å; D637-E639 WeakPolarHBondContact OD1-CB 3.17Å; D637-E639 PolarHBondContact OD1-N 3.45Å; D637-E639 VanDerWaalsContact OD1-N 3.16Å |
| 640 | T | 94.5 | Very high | 95.8 | Very high | 24 Ų | 24 | 48.6 Ų | 48.6 | 15% | 0.147 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 31.7 | 179.3 | 59.6 | 0 | 0 | 0 | 0 | 112.8 | N590 A591 L592 Y606 D637 E638 G642 | N590-T640 CarbonylContact O-C 3.56Å; N590-T640 VanDerWaalsContact O-CA 3.23Å; N590-T640 WeakPolarHBondContact O-CA 3.38Å; A591-T640 CarbonylContact C-O 3.55Å; A591-T640 VanDerWaalsContact CA-O 3.28Å; A591-T640 WeakPolarHBondContact CA-O 3.3Å; L592-T640 HydrophobicContact CB-CG2 4.37Å; L592-T640 VanDerWaalsContact CB-OG1 3.25Å; L592-T640 WeakPolarHBondContact CB-OG1 3.48Å; L592-T640 PolarHBondContact N-O 3.47Å; Y606-T640 HydrophobicContact CE2-CG2 4.4Å; D637-T640 PolarHBondContact OD1-N 3.46Å; D637-T640 PolarHBondContact OD1-OG1 3.3Å; D637-T640 PolarHBondContact OD2-OG1 3.4Å; D637-T640 VanDerWaalsContact OD2-OG1 3.05Å; E638-T640 PolarHBondContact O-N 3.43Å; T640-G642 VanDerWaalsContact C-N 3.27Å; T640-G642 PolarHBondContact O-N 3.32Å |
| 641 | N | 96.6 | Very high | 95.7 | Very high | 10 Ų | 10 | 44.7 Ų | 44.7 | 5% | 0.053 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 47.3 | 178.2 | -166.9 | 6.3 | 0 | 0 | 0 | 113.2 | Y543 P544 V635 E638 V643 | Y543-N641 VanDerWaalsContact CD1-O 3.29Å; Y543-N641 WeakPolarHBondContact CD1-O 3.42Å; P544-N641 PolarHBondContact O-ND2 3.43Å; P544-N641 PolarHBondContact O-OD1 3.35Å; V635-N641 HydrophobicContact CG1-CB 3.92Å; E638-N641 PolarHBondContact O-N 3.17Å; E638-N641 PolarHBondContact OE2-ND2 3.05Å; N641-V643 PolarHBondContact O-N 3.43Å; N641-V643 VanDerWaalsContact O-N 3.12Å |
| 642 | G | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 8.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | V586 N587 A589 N590 T640 F644 | V586-G642 WeakPolarHBondContact CA-O 3.39Å; N587-G642 PolarHBondContact N-O 3.18Å; A589-G642 WeakPolarHBondContact O-CA 3.48Å; N590-G642 VanDerWaalsContact O-CA 3.32Å; N590-G642 WeakPolarHBondContact O-CA 3.44Å; N590-G642 PolarHBondContact O-N 3.49Å; T640-G642 VanDerWaalsContact C-N 3.27Å; T640-G642 PolarHBondContact O-N 3.32Å; G642-F644 PolarHBondContact O-N 3.19Å |
| 643 | V | 97.9 | Very high | 95.7 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 113.4 | -173.3 | 177.7 | 0 | 0 | 0 | 0 | 110.2 | Y543 P544 M584 A591 V593 V635 N641 | Y543-V643 PolarHBondContact N-O 3.22Å; P544-V643 HydrophobicContact CG-CB 4.34Å; P544-V643 HydrophobicContact CG-CG1 4.3Å; M584-V643 HydrophobicContact CB-CG1 4.34Å; M584-V643 HydrophobicContact SD-CG1 4.45Å; A591-V643 HydrophobicContact CB-CG2 4.39Å; V593-V643 HydrophobicContact CG1-CG2 3.58Å; V635-V643 HydrophobicContact CG2-CG2 3.94Å; N641-V643 PolarHBondContact O-N 3.43Å; N641-V643 VanDerWaalsContact O-N 3.12Å |
| 644 | F | 97.8 | Very high | 95.7 | Very high | 48 Ų | 48 | 46 Ų | 46 | 21% | 0.211 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 128.8 | -175.6 | -179.2 | -97.5 | 0 | 0 | 0 | 111.7 | A542 Y543 H585 N587 L614 G642 A646 V649 C651 | A542-F644 HydrophobicContact CB-CD2 3.74Å; A542-F644 HydrophobicContact CB-CE2 4.2Å; A542-F644 HydrophobicContact CB-CG 4.41Å; Y543-F644 HydrophobicContact CE2-CD2 4.41Å; H585-F644 WeakPolarHBondContact CB-O 3.24Å; H585-F644 PolarHBondContact O-N 3.45Å; N587-F644 HydrophobicContact CB-CB 3.56Å; N587-F644 HydrophobicContact CB-CD1 4.27Å; N587-F644 HydrophobicContact CB-CD2 4.04Å; N587-F644 HydrophobicContact CB-CG 3.69Å; L614-F644 HydrophobicContact CD1-CD1 3.95Å; G642-F644 PolarHBondContact O-N 3.19Å; F644-A646 HydrophobicContact CE1-CB 4.37Å; F644-A646 HydrophobicContact CZ-CB 4.36Å; F644-V649 HydrophobicContact CD1-CG1 4.07Å; F644-V649 HydrophobicContact CE1-CB 4.26Å; F644-V649 HydrophobicContact CE1-CG1 4.22Å; F644-V649 HydrophobicContact CE1-CG2 4.4Å; F644-C651 PolarHBondContact O-SG 3.2Å |
| 645 | A | 96.8 | Very high | 95.7 | Very high | 5 Ų | 5 | 45 Ų | 45 | 4% | 0.041 | 24% | 0.238 | C | C | . | . | trans | -139.9 | 149.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L539 T540 A542 V649 C651 | L539-A645 HydrophobicContact CD2-CB 4.31Å; L539-A645 HydrophobicContact CG-CB 4.17Å; L539-A645 WeakPolarHBondContact O-CB 3.39Å; T540-A645 CarbonylContact O-C 3.53Å; A542-A645 WeakPolarHBondContact CB-O 3.49Å; A542-A645 PolarHBondContact N-O 3.36Å; A542-A645 VanDerWaalsContact N-O 3.12Å; A645-V649 WeakPolarHBondContact CA-O 3.45Å; A645-C651 HydrophobicContact CB-CB 4.22Å | ||
| 646 | A | 93.6 | Very high | 95.8 | Very high | 24 Ų | 24 | 49.6 Ų | 49.6 | 20% | 0.198 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -153.2 | 173.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | T540 F644 N648 V649 | T540-A646 WeakPolarHBondContact O-CA 3.43Å; T540-A646 PolarHBondContact O-N 2.88Å; F644-A646 HydrophobicContact CE1-CB 4.37Å; F644-A646 HydrophobicContact CZ-CB 4.36Å; A646-N648 PolarHBondContact O-N 3.43Å; A646-V649 HydrophobicContact CB-CB 4.29Å; A646-V649 PolarHBondContact N-O 3.29Å; A646-V649 CarbonylContact O-C 3.53Å; A646-V649 PolarHBondContact O-N 3.37Å; A646-V649 VanDerWaalsContact O-N 3.11Å |
| 647 | D | 89.6 | Confident | 95.9 | Very high | 142 Ų | 142 | 49 Ų | 49 | 76% | 0.759 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -24.3 | 178.4 | -67.3 | -23.6 | 0 | 0 | 0 | 113.9 | H650 | D647-H650 PolarHBondContact O-CE1 3.45Š|
| 648 | N | 91.5 | Very high | 96.1 | Very high | 137 Ų | 137 | 50.3 Ų | 50.3 | 73% | 0.733 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.5 | 2.7 | 179.5 | 67 | -31.7 | 0 | 0 | 0 | 114 | A646 | A646-N648 PolarHBondContact O-N 3.43Š|
| 649 | V | 94.1 | Very high | 96.1 | Very high | 24 Ų | 24 | 46.9 Ų | 46.9 | 15% | 0.145 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -135.8 | 103.6 | -178.7 | -179.7 | 0 | 0 | 0 | 0 | 107.7 | H585 L614 F644 A645 A646 | H585-V649 HydrophobicContact CB-CG1 3.86Å; H585-V649 WeakPolarHBondContact CD2-CG1 3.35Å; H585-V649 VanDerWaalsContact CG-CG1 3.45Å; L614-V649 HydrophobicContact CD2-CG1 4.34Å; F644-V649 HydrophobicContact CD1-CG1 4.07Å; F644-V649 HydrophobicContact CE1-CB 4.26Å; F644-V649 HydrophobicContact CE1-CG1 4.22Å; F644-V649 HydrophobicContact CE1-CG2 4.4Å; A645-V649 WeakPolarHBondContact CA-O 3.45Å; A646-V649 HydrophobicContact CB-CB 4.29Å; A646-V649 PolarHBondContact N-O 3.29Å; A646-V649 CarbonylContact O-C 3.53Å; A646-V649 PolarHBondContact O-N 3.37Å; A646-V649 VanDerWaalsContact O-N 3.11Å |
| 650 | H | 93.6 | Very high | 96.1 | Very high | 82 Ų | 82 | 41.4 Ų | 41.4 | 38% | 0.38 | 23% | 0.233 | S | C | . | . | trans | -101.9 | 123.1 | -165.2 | -65.5 | -38.5 | 0 | 0 | 0 | 112.2 | V538 H585 D647 | V538-H650 HydrophobicContact CG1-CB 3.71Å; H585-H650 PolarHBondContact CD2-O 3.21Å; H585-H650 PolarHBondContact NE2-O 3.46Å; D647-H650 PolarHBondContact O-CE1 3.45Å | ||
| 651 | C | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 128.2 | 162.9 | -73.7 | 0 | 0 | 0 | 0 | 108.7 | V538 L539 F552 H583 M584 H585 F644 A645 | V538-C651 CarbonylContact C-O 3.44Å; V538-C651 VanDerWaalsContact CA-O 3.28Å; V538-C651 WeakPolarHBondContact CA-O 3.27Å; V538-C651 WeakPolarHBondContact CG1-O 3.35Å; L539-C651 HydrophobicContact CB-CB 4.09Å; L539-C651 HydrophobicContact CD2-CB 4.41Å; L539-C651 PolarHBondContact N-O 3.12Å; F552-C651 HydrophobicContact CE1-CB 4.38Å; H583-C651 CarbonylContact O-C 3.59Å; H583-C651 VanDerWaalsContact O-CA 3.24Å; H583-C651 WeakPolarHBondContact O-CA 3.45Å; M584-C651 VanDerWaalsContact CA-SG 3.58Å; M584-C651 HydrophobicContact SD-CB 3.67Å; H585-C651 PolarHBondContact N-SG 3.33Å; F644-C651 PolarHBondContact O-SG 3.2Å; A645-C651 HydrophobicContact CB-CB 4.22Å |
| 652 | S | 98.5 | Very high | 95.5 | Very high | 21 Ų | 21 | 48.9 Ų | 48.9 | 15% | 0.147 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 151.1 | -173.9 | 62.5 | 0 | 0 | 0 | 0 | 112.9 | A537 Y582 H583 | A537-S652 VanDerWaalsContact O-CA 3.31Å; A537-S652 WeakPolarHBondContact O-CA 3.42Å; Y582-S652 CarbonylContact C-O 3.57Å; Y582-S652 WeakPolarHBondContact CA-O 3.23Å; Y582-S652 WeakPolarHBondContact CB-O 3.41Å; H583-S652 PolarHBondContact CD2-OG 3.42Å; H583-S652 PolarHBondContact N-O 3.47Å; H583-S652 PolarHBondContact O-N 3.23Å |
| 653 | F | 98.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 128.9 | 171.4 | 179 | -141.5 | 0 | 0 | 0 | 109.2 | F535 A537 F552 Y563 F580 S581 L595 V631 I633 | F535-F653 AromaticContact CE2-CD1 3.63Å; F535-F653 HydrophobicContact CE2-CD1 3.63Å; F535-F653 AromaticContact CE2-CE1 3.85Å; F535-F653 HydrophobicContact CE2-CE1 3.85Å; F535-F653 HydrophobicContact CE2-CG 4.04Å; F535-F653 HydrophobicContact CE2-CZ 4.43Å; F535-F653 AromaticContact CZ-CD1 3.79Å; F535-F653 HydrophobicContact CZ-CD1 3.79Å; F535-F653 HydrophobicContact CZ-CD2 4.41Å; F535-F653 AromaticContact CZ-CE1 3.52Å; F535-F653 HydrophobicContact CZ-CE1 3.52Å; F535-F653 HydrophobicContact CZ-CE2 4.19Å; F535-F653 HydrophobicContact CZ-CG 4.23Å; F535-F653 AromaticContact CZ-CZ 3.74Å; F535-F653 HydrophobicContact CZ-CZ 3.74Å; A537-F653 PolarHBondContact N-O 3.43Å; A537-F653 PolarHBondContact O-N 2.82Å; F552-F653 HydrophobicContact CD1-CB 4.01Å; F552-F653 HydrophobicContact CD2-CB 3.78Å; F552-F653 HydrophobicContact CD2-CD1 4.15Å; F552-F653 HydrophobicContact CD2-CG 4.44Å; F552-F653 HydrophobicContact CE1-CB 3.93Å; F552-F653 HydrophobicContact CE2-CB 3.69Å; F552-F653 HydrophobicContact CE2-CD1 4.16Å; F552-F653 HydrophobicContact CE2-CG 4.26Å; F552-F653 HydrophobicContact CG-CB 3.97Å; F552-F653 HydrophobicContact CZ-CB 3.8Å; Y563-F653 HydrophobicContact CE2-CD1 4.2Å; Y563-F653 HydrophobicContact CE2-CE1 4.42Å; F580-F653 HydrophobicContact CB-CE2 4.3Å; F580-F653 AromaticContact CD1-CE2 3.86Å; F580-F653 HydrophobicContact CD1-CE2 3.86Å; F580-F653 AromaticContact CD1-CZ 3.81Å; F580-F653 HydrophobicContact CD1-CZ 3.81Å; F580-F653 HydrophobicContact CE1-CZ 4.34Å; S581-F653 WeakPolarHBondContact O-CD2 3.31Å; L595-F653 HydrophobicContact CD1-CE2 3.8Å; L595-F653 HydrophobicContact CD1-CZ 3.83Å; V631-F653 HydrophobicContact CG1-CZ 4.27Å; I633-F653 HydrophobicContact CD1-CD2 4.31Å; I633-F653 HydrophobicContact CD1-CE2 4.22Å; I633-F653 HydrophobicContact CG1-CB 4.48Å; I633-F653 HydrophobicContact CG1-CD1 4.1Å; I633-F653 HydrophobicContact CG1-CD2 3.83Å; I633-F653 HydrophobicContact CG1-CE1 4.26Å; I633-F653 HydrophobicContact CG1-CE2 4Å; I633-F653 HydrophobicContact CG1-CG 3.89Å; I633-F653 HydrophobicContact CG1-CZ 4.21Å |
| 654 | S | 98.9 | Very high | 95.3 | Very high | 30 Ų | 30 | 54.2 Ų | 54.2 | 21% | 0.21 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 151 | -176.3 | -54.4 | 0 | 0 | 0 | 0 | 110.7 | F535 S536 F580 S581 | F535-S654 VanDerWaalsContact O-CA 3.3Å; F535-S654 WeakPolarHBondContact O-CA 3.23Å; S536-S654 WeakPolarHBondContact CB-OG 3.47Å; S536-S654 PolarHBondContact OG-OG 2.94Å; F580-S654 WeakPolarHBondContact CA-O 3.12Å; S581-S654 PolarHBondContact N-O 3.37Å; S581-S654 PolarHBondContact O-N 3.4Å; S581-S654 VanDerWaalsContact O-O 3.12Å |
| 655 | G | 98.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 150.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A534 F535 Y579 | A534-G655 CarbonylContact C-O 3.46Å; A534-G655 VanDerWaalsContact CA-O 3.22Å; A534-G655 WeakPolarHBondContact CA-O 3.46Å; F535-G655 PolarHBondContact N-O 2.81Å; F535-G655 PolarHBondContact O-N 3.38Å; Y579-G655 CarbonylContact O-C 3.56Å; Y579-G655 WeakPolarHBondContact O-CA 3.45Å |
| 656 | F | 98.6 | Very high | 95 | Very high | 97 Ų | 97 | 57.7 Ų | 57.7 | 43% | 0.425 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 151 | 178.3 | 64.5 | -93.6 | 0 | 0 | 0 | 112.9 | S533 A534 Y578 Y579 I658 | S533-F656 CarbonylContact O-C 3.51Å; S533-F656 VanDerWaalsContact O-CA 3.3Å; S533-F656 WeakPolarHBondContact O-CA 3.3Å; A534-F656 HydrophobicContact CB-CB 3.62Å; Y578-F656 CarbonylContact C-O 3.38Å; Y578-F656 VanDerWaalsContact CA-O 3.31Å; Y578-F656 WeakPolarHBondContact CA-O 3.3Å; Y578-F656 VanDerWaalsContact CD1-C 3.49Å; Y579-F656 HydrophobicContact CD1-CD1 4.12Å; Y579-F656 AromaticContact CD1-CE1 3.35Å; Y579-F656 HydrophobicContact CD1-CE1 3.35Å; Y579-F656 AromaticContact CD1-CZ 3.78Å; Y579-F656 HydrophobicContact CD1-CZ 3.78Å; Y579-F656 HydrophobicContact CE1-CE1 4.19Å; Y579-F656 HydrophobicContact CG-CE1 4.02Å; Y579-F656 HydrophobicContact CG-CZ 4.03Å; Y579-F656 PolarHBondContact N-O 3.45Å; Y579-F656 PolarHBondContact O-N 3.42Å; F656-I658 HydrophobicContact CD2-CG1 4.37Å; F656-I658 HydrophobicContact CE2-CG1 3.91Å; F656-I658 PolarHBondContact O-N 3.42Å |
| 657 | L | 98.3 | Very high | 95.1 | Very high | 25 Ų | 25 | 59.9 Ų | 59.9 | 13% | 0.131 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 122.2 | 172.7 | 178.8 | 68.2 | 0 | 0 | 0 | 110.2 | P531 S533 V574 Y578 A659 | P531-L657 HydrophobicContact CB-CD2 4.45Å; P531-L657 WeakPolarHBondContact O-CD2 3.49Å; S533-L657 PolarHBondContact O-N 3.23Å; V574-L657 HydrophobicContact CB-CD2 4.23Å; V574-L657 HydrophobicContact CG1-CD2 3.73Å; Y578-L657 HydrophobicContact CD1-CB 4.16Å; Y578-L657 HydrophobicContact CD2-CD1 4.03Å; Y578-L657 HydrophobicContact CE1-CB 3.69Å; Y578-L657 HydrophobicContact CE1-CD1 4.25Å; Y578-L657 HydrophobicContact CE2-CD1 3.57Å; L657-A659 WeakPolarHBondContact CD1-O 3.28Å |
| 658 | I | 97.2 | Very high | 95.5 | Very high | 84 Ų | 84 | 54.1 Ų | 54.1 | 43% | 0.431 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -48.4 | 172.1 | -60.5 | 161.1 | 0 | 0 | 0 | 110 | L577 V622 F656 | L577-I658 HydrophobicContact CD2-CD1 4.27Å; L577-I658 HydrophobicContact CG-CD1 4.28Å; L577-I658 WeakPolarHBondContact O-CA 3.22Å; L577-I658 WeakPolarHBondContact O-CB 3.39Å; L577-I658 PolarHBondContact O-N 3.44Å; V622-I658 HydrophobicContact CG1-CD1 3.98Å; V622-I658 HydrophobicContact CG2-CD1 4.14Å; F656-I658 HydrophobicContact CD2-CG1 4.37Å; F656-I658 HydrophobicContact CE2-CG1 3.91Å; F656-I658 PolarHBondContact O-N 3.42Å |
| 659 | A | 94.6 | Very high | 95.8 | Very high | 51 Ų | 51 | 47.7 Ų | 47.7 | 42% | 0.421 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 127.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | G576 L577 L657 | G576-A659 CarbonylContact C-O 3.52Å; G576-A659 VanDerWaalsContact CA-O 3.24Å; G576-A659 WeakPolarHBondContact CA-O 3.43Å; L577-A659 PolarHBondContact N-O 3.41Å; L577-A659 PolarHBondContact O-N 3.28Å; L657-A659 WeakPolarHBondContact CD1-O 3.28Å |
| 660 | S | 92.3 | Very high | 96 | Very high | 63 Ų | 63 | 49.7 Ų | 49.7 | 44% | 0.441 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 144.9 | 172.5 | 55.7 | 0 | 0 | 0 | 0 | 111.3 | P575 | P575-S660 WeakPolarHBondContact O-CA 3.45Å |
| 661 | T | 84.3 | Confident | 96.2 | Very high | 142 Ų | 142 | 46.7 Ų | 46.7 | 87% | 0.871 | 28% | 0.281 | S | S | * | . | trans | -103.3 | 0 | 177.2 | 50.4 | 0 | 0 | 0 | 0 | 113.6 | P575 M624 | P575-T661 PolarHBondContact O-N 3.16Å; P575-T661 VanDerWaalsContact O-N 3.1Å; P575-T661 PolarHBondContact O-OG1 2.87Å; M624-T661 HydrophobicContact CE-CG2 4.07Å; M624-T661 HydrophobicContact SD-CG2 3.82Å |
Retrieved 661 of 661 residues in 168.7 ms
(Link to these results)