| 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 | 44.7 | Very low | 57.3 | Low | 203 Ų | 203 | 122.6 Ų | 122.6 | 100% | 1 | 64% | 0.642 | S | S | * | * | 0 | 23.8 | 0 | -147 | 147.4 | 169.5 | 0 | 0 | 112.6 | |||||
| 2 | D | 54.5 | Low | 57.9 | Low | 140 Ų | 140 | 116 Ų | 116 | 75% | 0.749 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.1 | 70.4 | -142.9 | -50.6 | -67.7 | 0 | 0 | 0 | 113.6 | ||
| 3 | L | 45.7 | Very low | 58.3 | Low | 134 Ų | 134 | 114.5 Ų | 114.5 | 70% | 0.702 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.4 | -48.7 | 158.5 | -145.9 | 73.5 | 0 | 0 | 0 | 110.7 | V5 A6 S7 | L3-V5 VanDerWaalsContact C-N 3.34Å; L3-V5 PolarHBondContact O-N 3.37Å; L3-A6 PolarHBondContact O-N 3.25Å; L3-S7 PolarHBondContact O-N 3.34Å; L3-S7 PolarHBondContact O-OG 3.48Å |
| 4 | R | 48.4 | Very low | 58.3 | Low | 217 Ų | 217 | 110.6 Ų | 110.6 | 82% | 0.819 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -58.9 | -42.6 | 177.6 | -62.6 | -172.2 | -177.2 | -162.2 | 1.2 | 112.4 | S7 I8 | R4-S7 PolarHBondContact O-N 3.37Å; R4-I8 WeakPolarHBondContact O-CB 3.48Å; R4-I8 WeakPolarHBondContact O-CD1 3.48Å; R4-I8 VanDerWaalsContact O-CG1 3.24Å; R4-I8 WeakPolarHBondContact O-CG1 3.47Å; R4-I8 PolarHBondContact O-N 3.45Å |
| 5 | V | 60.3 | Low | 57.7 | Low | 95 Ų | 95 | 105.7 Ų | 105.7 | 58% | 0.576 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.9 | -45.1 | 176.6 | -176.1 | 0 | 0 | 0 | 0 | 111.1 | L3 I8 L9 | L3-V5 VanDerWaalsContact C-N 3.34Å; L3-V5 PolarHBondContact O-N 3.37Å; V5-I8 PolarHBondContact O-N 3.04Å; V5-L9 PolarHBondContact O-N 3.29Å |
| 6 | A | 62.3 | Low | 57.3 | Low | 58 Ų | 58 | 103.1 Ų | 103.1 | 48% | 0.479 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.8 | -43.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L3 I8 L9 L10 | L3-A6 PolarHBondContact O-N 3.25Å; A6-I8 PolarHBondContact O-N 3.44Å; A6-L9 PolarHBondContact O-N 2.8Å; A6-L10 WeakPolarHBondContact O-CB 3.41Å; A6-L10 PolarHBondContact O-N 3.3Å |
| 7 | S | 55.5 | Low | 56.8 | Low | 66 Ų | 66 | 102.4 Ų | 102.4 | 46% | 0.462 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64 | -37.3 | 176.1 | -58.6 | 0 | 0 | 0 | 0 | 113 | L3 R4 L11 | L3-S7 PolarHBondContact O-N 3.34Å; L3-S7 PolarHBondContact O-OG 3.48Å; R4-S7 PolarHBondContact O-N 3.37Å; S7-L11 WeakPolarHBondContact O-CB 3.38Å; S7-L11 PolarHBondContact O-N 3.41Å |
| 8 | I | 65.3 | Low | 56.2 | Low | 77 Ų | 77 | 101 Ų | 101 | 40% | 0.395 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.8 | -46.7 | 174.1 | -72 | 164.5 | 0 | 0 | 0 | 110.2 | R4 V5 A6 L10 L11 I12 | R4-I8 WeakPolarHBondContact O-CB 3.48Å; R4-I8 WeakPolarHBondContact O-CD1 3.48Å; R4-I8 VanDerWaalsContact O-CG1 3.24Å; R4-I8 WeakPolarHBondContact O-CG1 3.47Å; R4-I8 PolarHBondContact O-N 3.45Å; V5-I8 PolarHBondContact O-N 3.04Å; A6-I8 PolarHBondContact O-N 3.44Å; I8-L10 VanDerWaalsContact C-N 3.33Å; I8-L10 PolarHBondContact O-N 3.06Å; I8-L11 PolarHBondContact O-N 2.97Å; I8-I12 HydrophobicContact CG2-CD1 3.7Å; I8-I12 HydrophobicContact CG2-CG1 4.49Å; I8-I12 WeakPolarHBondContact O-CD1 3.24Å; I8-I12 VanDerWaalsContact O-CG1 3.27Å; I8-I12 WeakPolarHBondContact O-CG1 3.36Å; I8-I12 PolarHBondContact O-N 3.29Å |
| 9 | L | 65.8 | Low | 55.8 | Low | 116 Ų | 116 | 98.9 Ų | 98.9 | 61% | 0.607 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -58.7 | -44.3 | 177 | -165.9 | 75.4 | 0 | 0 | 0 | 111.9 | V5 A6 I12 V13 | V5-L9 PolarHBondContact O-N 3.29Å; A6-L9 PolarHBondContact O-N 2.8Å; L9-I12 PolarHBondContact O-N 2.96Å; L9-V13 WeakPolarHBondContact O-CG2 3.36Å; L9-V13 PolarHBondContact O-N 3.25Å |
| 10 | L | 64.7 | Low | 55 | Low | 128 Ų | 128 | 97.9 Ų | 97.9 | 67% | 0.67 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.5 | -35.8 | -179.4 | -144.7 | 160.9 | 0 | 0 | 0 | 111.7 | A6 I8 A14 | A6-L10 WeakPolarHBondContact O-CB 3.41Å; A6-L10 PolarHBondContact O-N 3.3Å; I8-L10 VanDerWaalsContact C-N 3.33Å; I8-L10 PolarHBondContact O-N 3.06Å; L10-A14 WeakPolarHBondContact O-CB 3.33Å; L10-A14 PolarHBondContact O-N 3.25Å |
| 11 | L | 63.3 | Low | 54.3 | Low | 115 Ų | 115 | 102 Ų | 102 | 60% | 0.602 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.3 | -47 | 170.4 | -102.8 | 160.9 | 0 | 0 | 0 | 112.2 | S7 I8 V13 A14 S15 | S7-L11 WeakPolarHBondContact O-CB 3.38Å; S7-L11 PolarHBondContact O-N 3.41Å; I8-L11 PolarHBondContact O-N 2.97Å; L11-V13 PolarHBondContact O-N 3.14Å; L11-A14 PolarHBondContact O-N 2.75Å; L11-S15 PolarHBondContact O-N 3.46Å; L11-S15 PolarHBondContact O-OG 3.03Å |
| 12 | I | 64.8 | Low | 53.9 | Low | 43 Ų | 43 | 96 Ų | 96 | 22% | 0.221 | 59% | 0.586 | C | S | . | * | H | α-helix | trans | -59.8 | -45.9 | 179.3 | -66.4 | 157.9 | 0 | 0 | 0 | 110.8 | I8 L9 S15 A16 I644 | I8-I12 HydrophobicContact CG2-CD1 3.7Å; I8-I12 HydrophobicContact CG2-CG1 4.49Å; I8-I12 WeakPolarHBondContact O-CD1 3.24Å; I8-I12 VanDerWaalsContact O-CG1 3.27Å; I8-I12 WeakPolarHBondContact O-CG1 3.36Å; I8-I12 PolarHBondContact O-N 3.29Å; L9-I12 PolarHBondContact O-N 2.96Å; I12-S15 PolarHBondContact O-N 3.36Å; I12-A16 WeakPolarHBondContact O-CB 3.39Å; I12-A16 PolarHBondContact O-N 2.74Å; I12-I644 HydrophobicContact CD1-CG2 3.55Å; I12-I644 HydrophobicContact CG1-CG2 3.85Å; I12-I644 HydrophobicContact CG2-CG2 4.41Å |
| 13 | V | 62.5 | Low | 53.1 | Low | 97 Ų | 97 | 97.8 Ų | 97.8 | 59% | 0.588 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.5 | -41.9 | 177.7 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | L9 L11 A17 | L9-V13 WeakPolarHBondContact O-CG2 3.36Å; L9-V13 PolarHBondContact O-N 3.25Å; L11-V13 PolarHBondContact O-N 3.14Å; V13-A17 PolarHBondContact O-N 3.46Å |
| 14 | A | 57.9 | Low | 52.5 | Low | 60 Ų | 60 | 97.2 Ų | 97.2 | 50% | 0.496 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.7 | -38.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | L10 L11 | L10-A14 WeakPolarHBondContact O-CB 3.33Å; L10-A14 PolarHBondContact O-N 3.25Å; L11-A14 PolarHBondContact O-N 2.75Å |
| 15 | S | 50.3 | Low | 51.7 | Low | 36 Ų | 36 | 93.8 Ų | 93.8 | 25% | 0.252 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67 | -48 | 175.4 | -66.1 | 0 | 0 | 0 | 0 | 112.2 | L11 I12 A17 A18 | L11-S15 PolarHBondContact O-N 3.46Å; L11-S15 PolarHBondContact O-OG 3.03Å; I12-S15 PolarHBondContact O-N 3.36Å; S15-A17 PolarHBondContact O-N 3.39Å; S15-A18 WeakPolarHBondContact O-CB 3.34Å; S15-A18 PolarHBondContact O-N 3.22Å |
| 16 | A | 51 | Low | 50.3 | Low | 65 Ų | 65 | 97.7 Ų | 97.7 | 54% | 0.537 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.9 | -27.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | I12 A18 | I12-A16 WeakPolarHBondContact O-CB 3.39Å; I12-A16 PolarHBondContact O-N 2.74Å; A16-A18 VanDerWaalsContact C-N 3.31Å; A16-A18 PolarHBondContact O-N 2.97Å |
| 17 | A | 49.3 | Very low | 48.7 | Very low | 90 Ų | 90 | 104.6 Ų | 104.6 | 74% | 0.744 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -15.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | V13 S15 | V13-A17 PolarHBondContact O-N 3.46Å; S15-A17 PolarHBondContact O-N 3.39Å |
| 18 | A | 45.6 | Very low | 47.5 | Very low | 78 Ų | 78 | 107.3 Ų | 107.3 | 65% | 0.645 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -31.1 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S15 A16 | S15-A18 WeakPolarHBondContact O-CB 3.34Å; S15-A18 PolarHBondContact O-N 3.22Å; A16-A18 VanDerWaalsContact C-N 3.31Å; A16-A18 PolarHBondContact O-N 2.97Å |
| 19 | T | 48.7 | Very low | 45.8 | Very low | 61 Ų | 61 | 109.5 Ų | 109.5 | 37% | 0.374 | 65% | 0.647 | S | S | . | * | trans | -121.7 | 53.4 | -169.1 | 62.5 | 0 | 0 | 0 | 0 | 114.1 | K21 T647 | T19-K21 PolarHBondContact O-N 2.76Å; T19-T647 WeakPolarHBondContact CB-OXT 3.04Å; T19-T647 WeakPolarHBondContact OG1-CA 3.47Å; T19-T647 PolarHBondContact OG1-OXT 2.76Å | ||
| 20 | G | 40.3 | Very low | 44.3 | Very low | 79 Ų | 79 | 109.5 Ų | 109.5 | 81% | 0.814 | 65% | 0.654 | S | S | * | * | trans | -68.5 | 61.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 21 | K | 39 | Very low | 42.5 | Very low | 184 Ų | 184 | 112.3 Ų | 112.3 | 80% | 0.8 | 67% | 0.666 | S | S | * | * | trans | -143.7 | 88.4 | 172.8 | -73.7 | -171.7 | 178.3 | 175.9 | 0 | 111.7 | T19 | T19-K21 PolarHBondContact O-N 2.76Š| ||
| 22 | G | 37.8 | Very low | 41.4 | Very low | 76 Ų | 76 | 114.5 Ų | 114.5 | 78% | 0.784 | 68% | 0.679 | S | S | * | * | trans | -64.4 | 140 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 23 | Y | 37.3 | Very low | 39.9 | Very low | 178 Ų | 178 | 118.5 Ų | 118.5 | 70% | 0.698 | 71% | 0.705 | S | S | * | * | trans | -75.8 | 142.2 | 173.8 | -75.8 | -99.6 | 0 | 0 | 0 | 112 | ||||
| 24 | V | 32.8 | Very low | 39 | Very low | 122 Ų | 122 | 123.6 Ų | 123.6 | 74% | 0.739 | 72% | 0.719 | S | S | * | * | trans | -122.1 | 107.4 | 175.9 | 179.8 | 0 | 0 | 0 | 0 | 110 | K26 | V24-K26 HydrophobicContact CG1-CG 4.4Å; V24-K26 PolarHBondContact O-N 3.44Å | ||
| 25 | V | 32 | Very low | 37.8 | Very low | 145 Ų | 145 | 125 Ų | 125 | 88% | 0.879 | 73% | 0.726 | S | S | * | * | trans | -75.2 | 94.8 | 178.8 | -177.3 | 0 | 0 | 0 | 0 | 110.3 | K27 | V25-K27 PolarHBondContact O-N 3.39Š| ||
| 26 | K | 29.8 | Very low | 37.2 | Very low | 178 Ų | 178 | 132.5 Ų | 132.5 | 77% | 0.774 | 76% | 0.756 | S | S | * | * | trans | -80.1 | 102.1 | 175.5 | -77.9 | -171.5 | 174.8 | -179.5 | 0 | 111.9 | V24 V28 | V24-K26 HydrophobicContact CG1-CG 4.4Å; V24-K26 PolarHBondContact O-N 3.44Å; K26-V28 PolarHBondContact O-N 3.48Å | ||
| 27 | K | 29.1 | Very low | 36.5 | Very low | 202 Ų | 202 | 134.1 Ų | 134.1 | 88% | 0.878 | 76% | 0.759 | S | S | * | * | trans | -80.8 | 108.6 | 163.5 | -164.5 | 171.3 | -172.3 | 173.1 | 0 | 109.3 | V25 | V25-K27 PolarHBondContact O-N 3.39Š| ||
| 28 | V | 29.7 | Very low | 36 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | -82.3 | 120.9 | -172.1 | -178.8 | 0 | 0 | 0 | 0 | 111.6 | K26 | K26-V28 PolarHBondContact O-N 3.48Š| ||
| 29 | V | 29.4 | Very low | 35.5 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 74% | 0.739 | 76% | 0.762 | S | S | * | * | trans | -133.7 | 128 | 162.7 | -176.2 | 0 | 0 | 0 | 0 | 107.5 | M31 | V29-M31 PolarHBondContact O-N 2.96Š| ||
| 30 | P | 34.8 | Very low | 35.4 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | trans | -90.2 | 110.2 | -169.9 | 32.8 | -33.4 | 0 | 0 | 0 | 113.2 | ||||
| 31 | M | 26.7 | Very low | 35.5 | Very low | 187 Ų | 187 | 139.1 Ų | 139.1 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | trans | -134.7 | 157.3 | 151.7 | -73.2 | -152.3 | -178.3 | 0 | 0 | 110.4 | V29 | V29-M31 PolarHBondContact O-N 2.96Š| ||
| 32 | N | 41.2 | Very low | 36.1 | Very low | 161 Ų | 161 | 132.1 Ų | 132.1 | 86% | 0.861 | 75% | 0.75 | S | S | * | * | trans | -126.9 | 106.2 | -162.9 | -177.2 | 16.2 | 0 | 0 | 0 | 110.7 | ||||
| 33 | V | 33.3 | Very low | 36.5 | Very low | 128 Ų | 128 | 137 Ų | 137 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | -134.9 | 138.7 | -179.6 | -173 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 34 | K | 42.5 | Very low | 37 | Very low | 204 Ų | 204 | 133.2 Ų | 133.2 | 89% | 0.887 | 75% | 0.749 | S | S | * | * | trans | -80.7 | 126.6 | 178.3 | -61.5 | 178.6 | -179.4 | 179.1 | 0 | 110.5 | ||||
| 35 | S | 34.1 | Very low | 37.8 | Very low | 90 Ų | 90 | 129.2 Ų | 129.2 | 63% | 0.629 | 73% | 0.732 | S | S | * | * | trans | -94.2 | 147.1 | 171.1 | 49.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 36 | H | 37.5 | Very low | 38.6 | Very low | 192 Ų | 192 | 127.8 Ų | 127.8 | 89% | 0.889 | 73% | 0.726 | S | S | * | * | trans | -105.7 | 132.4 | 162.7 | -98 | -73.3 | 0 | 0 | 0 | 108.3 | ||||
| 37 | V | 35.8 | Very low | 39.8 | Very low | 100 Ų | 100 | 124 Ų | 124 | 61% | 0.606 | 72% | 0.719 | S | S | * | * | trans | -83.4 | 134.7 | 176.5 | -178 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 38 | V | 39.7 | Very low | 41 | Very low | 120 Ų | 120 | 116.5 Ų | 116.5 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | trans | -131.6 | 116 | 167.5 | 180 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 39 | S | 34.3 | Very low | 42.1 | Very low | 102 Ų | 102 | 119.2 Ų | 119.2 | 71% | 0.713 | 71% | 0.705 | S | S | * | * | trans | -76.1 | 131.4 | -179.8 | -49 | 0 | 0 | 0 | 0 | 111 | ||||
| 40 | V | 45.8 | Very low | 43.4 | Very low | 102 Ų | 102 | 118.5 Ų | 118.5 | 62% | 0.618 | 70% | 0.702 | S | S | * | * | trans | -117.4 | 133.8 | 171.6 | -177.5 | 0 | 0 | 0 | 0 | 108.1 | P498 | V40-P498 WeakPolarHBondContact O-CB 3.27Š| ||
| 41 | A | 43.3 | Very low | 44.5 | Very low | 88 Ų | 88 | 115.8 Ų | 115.8 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 136.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 42 | G | 51 | Low | 45.9 | Very low | 38 Ų | 38 | 113.1 Ų | 113.1 | 39% | 0.392 | 69% | 0.692 | S | S | . | * | P | Polyproline II helix | trans | -71.5 | 153 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 43 | E | 46.8 | Very low | 46.7 | Very low | 179 Ų | 179 | 113 Ų | 113 | 84% | 0.836 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -67 | 150.8 | 175.1 | -63.7 | -163.2 | 124.1 | 0 | 0 | 111.5 | ||
| 44 | P | 47.7 | Very low | 47.9 | Very low | 98 Ų | 98 | 109.6 Ų | 109.6 | 64% | 0.636 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -59 | 138.9 | 172.9 | -21.8 | 33.6 | 0 | 0 | 0 | 111.6 | P495 | P44-P495 HydrophobicContact CB-CG 4.35Å; P44-P495 HydrophobicContact CG-CG 4.34Å |
| 45 | G | 50.4 | Low | 48.5 | Very low | 37 Ų | 37 | 106.2 Ų | 106.2 | 38% | 0.381 | 68% | 0.676 | S | S | . | * | P | Polyproline II helix | trans | -64.2 | 159.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 46 | P | 46.8 | Very low | 49.7 | Very low | 116 Ų | 116 | 109.6 Ų | 109.6 | 75% | 0.753 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -58 | 151.8 | 173.4 | 26.5 | -34.6 | 0 | 0 | 0 | 110.9 | G48 | P46-G48 PolarHBondContact O-N 2.91Š|
| 47 | P | 55.1 | Low | 50.7 | Low | 97 Ų | 97 | 103 Ų | 103 | 63% | 0.63 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 140.2 | 172.6 | -24.2 | 34.2 | 0 | 0 | 0 | 111.2 | P492 | P47-P492 HydrophobicContact CG-CG 4.46Š|
| 48 | G | 54.4 | Low | 51.5 | Low | 46 Ų | 46 | 104 Ų | 104 | 47% | 0.474 | 67% | 0.674 | S | S | . | * | P | Polyproline II helix | trans | -64.1 | 153.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | P46 | P46-G48 PolarHBondContact O-N 2.91Š|
| 49 | E | 53.7 | Low | 52.5 | Low | 181 Ų | 181 | 104.4 Ų | 104.4 | 85% | 0.846 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -58 | 147.3 | 175 | -62.7 | -171.7 | 144.2 | 0 | 0 | 110.9 | G51 | E49-G51 PolarHBondContact O-N 2.74Š|
| 50 | P | 57.1 | Low | 53.5 | Low | 106 Ų | 106 | 102.6 Ų | 102.6 | 69% | 0.688 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 137.4 | 173.6 | -25.5 | 35 | 0 | 0 | 0 | 111.3 | ||
| 51 | G | 58.4 | Low | 53.9 | Low | 60 Ų | 60 | 103.4 Ų | 103.4 | 62% | 0.619 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 151.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E49 E53 | E49-G51 PolarHBondContact O-N 2.74Å; G51-E53 PolarHBondContact O-N 3.24Å |
| 52 | P | 54.5 | Low | 54.7 | Low | 131 Ų | 131 | 105.1 Ų | 105.1 | 85% | 0.851 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 141.1 | 177.5 | 25.7 | -34.7 | 0 | 0 | 0 | 110.6 | ||
| 53 | E | 59.7 | Low | 54.8 | Low | 159 Ų | 159 | 106.9 Ų | 106.9 | 74% | 0.743 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 137.3 | -177.7 | -166.9 | 164.4 | -131.4 | 0 | 0 | 111.2 | G51 | G51-E53 PolarHBondContact O-N 3.24Š|
| 54 | G | 58.1 | Low | 55.1 | Low | 56 Ų | 56 | 107.5 Ų | 107.5 | 58% | 0.577 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 145.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q56 | G54-Q56 PolarHBondContact O-N 3.35Š|
| 55 | P | 54.3 | Low | 55.3 | Low | 132 Ų | 132 | 110.3 Ų | 110.3 | 86% | 0.857 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 130.4 | 176.1 | 25.7 | -34.1 | 0 | 0 | 0 | 109.8 | G57 | P55-G57 PolarHBondContact O-N 2.86Š|
| 56 | Q | 59.5 | Low | 55 | Low | 162 Ų | 162 | 112.2 Ų | 112.2 | 76% | 0.757 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 133 | -176 | -167.4 | 176 | 52.3 | 0 | 0 | 110.8 | G54 D483 | G54-Q56 PolarHBondContact O-N 3.35Å; Q56-D483 PolarHBondContact NE2-OD1 3.31Å |
| 57 | G | 57.6 | Low | 55.4 | Low | 52 Ų | 52 | 111.7 Ų | 111.7 | 54% | 0.536 | 73% | 0.732 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 147.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P55 | P55-G57 PolarHBondContact O-N 2.86Š|
| 58 | P | 53.4 | Low | 54.8 | Low | 123 Ų | 123 | 110.7 Ų | 110.7 | 80% | 0.799 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 139 | 177.9 | 25.8 | -34.3 | 0 | 0 | 0 | 110 | G60 | P58-G60 PolarHBondContact O-N 2.87Š|
| 59 | P | 60.9 | Low | 54.5 | Low | 128 Ų | 128 | 118.2 Ų | 118.2 | 83% | 0.831 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -51 | 136.3 | 179.4 | -29.1 | 35.4 | 0 | 0 | 0 | 112 | ||
| 60 | G | 54.7 | Low | 54.7 | Low | 63 Ų | 63 | 115.2 Ų | 115.2 | 65% | 0.649 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 147.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P58 | P58-G60 PolarHBondContact O-N 2.87Š|
| 61 | P | 55.5 | Low | 54.4 | Low | 119 Ų | 119 | 113.3 Ų | 113.3 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 144.1 | 178.2 | 26.3 | -34.4 | 0 | 0 | 0 | 110.2 | G63 | P61-G63 PolarHBondContact O-N 2.92Š|
| 62 | P | 58.3 | Low | 54.3 | Low | 124 Ų | 124 | 116.6 Ų | 116.6 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 133.8 | 175.8 | -27.4 | 35 | 0 | 0 | 0 | 111.4 | Q64 | P62-Q64 PolarHBondContact O-N 3.02Š|
| 63 | G | 54.8 | Low | 54.6 | Low | 75 Ų | 75 | 119.4 Ų | 119.4 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 133.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | P61 | P61-G63 PolarHBondContact O-N 2.92Š|
| 64 | Q | 52.6 | Low | 54.4 | Low | 192 Ų | 192 | 114.5 Ų | 114.5 | 90% | 0.897 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 138.5 | 179.2 | -68.4 | -179.8 | -11.5 | 0 | 0 | 110.6 | P62 G66 | P62-Q64 PolarHBondContact O-N 3.02Å; Q64-G66 PolarHBondContact O-N 3.5Å; Q64-G66 VanDerWaalsContact O-N 3.07Å |
| 65 | D | 51.3 | Low | 54.5 | Low | 158 Ų | 158 | 117.8 Ų | 117.8 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | trans | -56.4 | 114.4 | 177.1 | -71.6 | -56.5 | 0 | 0 | 0 | 110.9 | V67 | D65-V67 PolarHBondContact O-N 2.89Š| ||
| 66 | G | 44.1 | Very low | 54.9 | Low | 76 Ų | 76 | 117.7 Ų | 117.7 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | trans | -67 | 102.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q64 G68 | Q64-G66 PolarHBondContact O-N 3.5Å; Q64-G66 VanDerWaalsContact O-N 3.07Å; G66-G68 PolarHBondContact O-N 3.44Å | ||
| 67 | V | 56 | Low | 54.7 | Low | 106 Ų | 106 | 113.1 Ų | 113.1 | 64% | 0.642 | 77% | 0.765 | S | S | * | * | trans | -65 | 95.9 | 173.8 | -176.8 | 0 | 0 | 0 | 0 | 109.1 | D65 Y69 | D65-V67 PolarHBondContact O-N 2.89Å; V67-Y69 VanDerWaalsContact C-N 3.32Å; V67-Y69 HydrophobicContact CB-CD2 4.47Å; V67-Y69 HydrophobicContact CB-CE2 4.05Å; V67-Y69 HydrophobicContact CG1-CD2 4.05Å; V67-Y69 HydrophobicContact CG1-CE1 4.49Å; V67-Y69 HydrophobicContact CG1-CE2 3.6Å; V67-Y69 VanDerWaalsContact O-CD2 3.28Å; V67-Y69 WeakPolarHBondContact O-CD2 3.32Å; V67-Y69 PolarHBondContact O-N 2.88Å | ||
| 68 | G | 42.2 | Very low | 54.4 | Low | 76 Ų | 76 | 116.8 Ų | 116.8 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | trans | -70.4 | 80.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G66 S70 | G66-G68 PolarHBondContact O-N 3.44Å; G68-S70 PolarHBondContact O-N 2.57Å | ||
| 69 | Y | 47.9 | Very low | 54.5 | Low | 204 Ų | 204 | 117.4 Ų | 117.4 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 125.5 | 167.8 | -70 | -81.8 | 0 | 0 | 0 | 110 | V67 G71 | V67-Y69 VanDerWaalsContact C-N 3.32Å; V67-Y69 HydrophobicContact CB-CD2 4.47Å; V67-Y69 HydrophobicContact CB-CE2 4.05Å; V67-Y69 HydrophobicContact CG1-CD2 4.05Å; V67-Y69 HydrophobicContact CG1-CE1 4.49Å; V67-Y69 HydrophobicContact CG1-CE2 3.6Å; V67-Y69 VanDerWaalsContact O-CD2 3.28Å; V67-Y69 WeakPolarHBondContact O-CD2 3.32Å; V67-Y69 PolarHBondContact O-N 2.88Å; Y69-G71 PolarHBondContact O-N 2.87Å |
| 70 | S | 57.8 | Low | 53.4 | Low | 117 Ų | 117 | 114.7 Ų | 114.7 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 128.8 | 174.5 | 38 | 0 | 0 | 0 | 0 | 110.7 | G68 | G68-S70 PolarHBondContact O-N 2.57Š|
| 71 | G | 50.9 | Low | 52.7 | Low | 66 Ų | 66 | 121 Ų | 121 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 140.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y69 | Y69-G71 PolarHBondContact O-N 2.87Š|
| 72 | P | 57 | Low | 52.5 | Low | 130 Ų | 130 | 121.4 Ų | 121.4 | 84% | 0.844 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -63 | 140.1 | -175.3 | 25.2 | -34 | 0 | 0 | 0 | 111.8 | G74 | P72-G74 PolarHBondContact O-N 2.87Š|
| 73 | Q | 59.6 | Low | 51.6 | Low | 190 Ų | 190 | 118.9 Ų | 118.9 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 128.3 | -179.9 | -176.9 | 176.7 | -2 | 0 | 0 | 111.2 | ||
| 74 | G | 56.8 | Low | 50.8 | Low | 56 Ų | 56 | 127.3 Ų | 127.3 | 58% | 0.577 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 142.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P72 | P72-G74 PolarHBondContact O-N 2.87Š|
| 75 | P | 59.9 | Low | 50.1 | Low | 124 Ų | 124 | 123 Ų | 123 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 148.4 | -175.7 | 26.7 | -34.6 | 0 | 0 | 0 | 112.3 | ||
| 76 | P | 62.8 | Low | 49.6 | Very low | 131 Ų | 131 | 123.8 Ų | 123.8 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 146 | -177.3 | -22.5 | 34 | 0 | 0 | 0 | 114.3 | ||
| 77 | G | 55.1 | Low | 49.2 | Very low | 66 Ų | 66 | 124.8 Ų | 124.8 | 68% | 0.68 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 148 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 78 | P | 49.8 | Very low | 48.6 | Very low | 129 Ų | 129 | 123.1 Ų | 123.1 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 148.8 | -172.8 | 29.4 | -35.6 | 0 | 0 | 0 | 113.6 | ||
| 79 | P | 56.8 | Low | 48.4 | Very low | 136 Ų | 136 | 129.4 Ų | 129.4 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 153.8 | -175.4 | 35.5 | -36.4 | 0 | 0 | 0 | 114.5 | ||
| 80 | G | 37.4 | Very low | 48.1 | Very low | 71 Ų | 71 | 126.1 Ų | 126.1 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | 178.3 | 150.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 81 | Q | 40.1 | Very low | 47.1 | Very low | 195 Ų | 195 | 124.2 Ų | 124.2 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | cis | -143.2 | 160.4 | -14.7 | -94.1 | -167.7 | 2.1 | 0 | 0 | 109.6 | ||||
| 82 | P | 52.2 | Low | 47 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -100.4 | 146.3 | -161.2 | 36.6 | -34.4 | 0 | 0 | 0 | 116.4 | ||||
| 83 | G | 38 | Very low | 46.8 | Very low | 71 Ų | 71 | 127.1 Ų | 127.1 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | trans | 118.2 | 112.1 | 133 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 84 | R | 38.4 | Very low | 46.2 | Very low | 253 Ų | 253 | 122.2 Ų | 122.2 | 96% | 0.955 | 81% | 0.811 | S | S | * | * | -169.3 | 172.7 | 124.7 | -102.1 | 164.9 | -168.4 | -96 | -0.7 | 110.6 | |||||
| 85 | S | 38.8 | Very low | 45.6 | Very low | 102 Ų | 102 | 123.2 Ų | 123.2 | 71% | 0.713 | 82% | 0.821 | S | S | * | * | trans | -130.9 | 171.6 | -150.1 | -43 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 86 | I | 39.7 | Very low | 45.3 | Very low | 174 Ų | 174 | 123.9 Ų | 123.9 | 89% | 0.892 | 83% | 0.825 | S | S | * | * | trans | 60.7 | 149.2 | 162.6 | 57.7 | 169 | 0 | 0 | 0 | 117.8 | ||||
| 87 | A | 35.3 | Very low | 44.6 | Very low | 96 Ų | 96 | 121.3 Ų | 121.3 | 79% | 0.793 | 82% | 0.822 | S | S | * | * | cis | -148.3 | 165.5 | -11.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 88 | G | 44.9 | Very low | 44 | Very low | 72 Ų | 72 | 128.1 Ų | 128.1 | 74% | 0.742 | 83% | 0.833 | S | S | * | * | trans | -87 | 174.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 89 | K | 36.4 | Very low | 44.2 | Very low | 208 Ų | 208 | 128.1 Ų | 128.1 | 90% | 0.904 | 83% | 0.833 | S | S | * | * | trans | -139.2 | 118.7 | 165.7 | -74.5 | -167.3 | 176.7 | -175 | 0 | 111.3 | ||||
| 90 | P | 42.8 | Very low | 43.7 | Very low | 135 Ų | 135 | 124.6 Ų | 124.6 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | trans | -83.8 | 166.6 | 162.1 | -1.7 | 21 | 0 | 0 | 0 | 111.2 | ||||
| 91 | G | 36.5 | Very low | 44.3 | Very low | 77 Ų | 77 | 129.5 Ų | 129.5 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | trans | 133.1 | 120.7 | 161.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 92 | T | 47.8 | Very low | 44.6 | Very low | 137 Ų | 137 | 126.3 Ų | 126.3 | 84% | 0.84 | 83% | 0.825 | S | S | * | * | trans | -104.6 | -165 | 166.2 | 62.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 93 | P | 53.4 | Low | 44.1 | Very low | 119 Ų | 119 | 123.7 Ų | 123.7 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | cis | -135.2 | 169.3 | -17.3 | 32.9 | -13.3 | 0 | 0 | 0 | 115.8 | ||||
| 94 | G | 48.1 | Very low | 44.7 | Very low | 88 Ų | 88 | 125 Ų | 125 | 91% | 0.907 | 83% | 0.826 | S | S | * | * | trans | 94.7 | 131.9 | 137.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 95 | G | 42.3 | Very low | 45.5 | Very low | 76 Ų | 76 | 119.2 Ų | 119.2 | 78% | 0.784 | 82% | 0.821 | S | S | * | * | trans | 170.4 | 139.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 96 | P | 55.3 | Low | 45.7 | Very low | 138 Ų | 138 | 117.9 Ų | 117.9 | 90% | 0.896 | 82% | 0.823 | S | S | * | * | trans | -129.4 | 162.6 | -169 | 42 | -28.9 | 0 | 0 | 0 | 119.2 | ||||
| 97 | G | 47.4 | Very low | 46 | Very low | 77 Ų | 77 | 118.5 Ų | 118.5 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | trans | 109.7 | 150.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 98 | K | 42.3 | Very low | 46.7 | Very low | 209 Ų | 209 | 122.7 Ų | 122.7 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | cis | -154.6 | 168.3 | 1.1 | -107.9 | -172 | 175.3 | -176.4 | 0 | 111.8 | ||||
| 99 | P | 53.2 | Low | 46.8 | Very low | 129 Ų | 129 | 122.7 Ų | 122.7 | 84% | 0.838 | 82% | 0.818 | S | S | * | * | trans | -97.9 | -177.4 | -173.8 | 40.4 | -38 | 0 | 0 | 0 | 115.1 | ||||
| 100 | G | 48.3 | Very low | 47.2 | Very low | 62 Ų | 62 | 118.8 Ų | 118.8 | 64% | 0.639 | 81% | 0.807 | S | S | * | * | cis | 151.4 | 172.3 | -4.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 101 | I | 48.2 | Very low | 47.8 | Very low | 175 Ų | 175 | 118.7 Ų | 118.7 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | trans | 58.1 | 169.9 | 172.5 | 55.3 | 169.8 | 0 | 0 | 0 | 119 | ||||
| 102 | P | 48 | Very low | 48.1 | Very low | 127 Ų | 127 | 118.5 Ų | 118.5 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | cis | -122.5 | -161.6 | -7 | 43.2 | -27.1 | 0 | 0 | 0 | 113.3 | ||||
| 103 | G | 41.5 | Very low | 48 | Very low | 72 Ų | 72 | 117 Ų | 117 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | cis | 150.8 | 132.4 | -21 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 104 | A | 50.3 | Low | 48.1 | Very low | 100 Ų | 100 | 117.7 Ų | 117.7 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | 79.4 | 179.5 | 155.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 105 | P | 55.9 | Low | 47.9 | Very low | 131 Ų | 131 | 116.8 Ų | 116.8 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | -141.9 | -177.5 | -75 | 44.5 | -28.5 | 0 | 0 | 0 | 117.8 | |||||
| 106 | G | 42.6 | Very low | 48.2 | Very low | 74 Ų | 74 | 119.2 Ų | 119.2 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | 108.5 | 160 | 151 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 107 | E | 45.1 | Very low | 48.3 | Very low | 187 Ų | 187 | 121.9 Ų | 121.9 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | cis | -155.1 | -169 | -30.2 | -137.9 | -173.5 | 179.2 | 0 | 0 | 112.2 | ||||
| 108 | R | 51.3 | Low | 48.7 | Very low | 183 Ų | 183 | 121.3 Ų | 121.3 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | trans | -80.4 | 162 | -151.5 | -158 | -160.2 | -58.4 | 166.6 | 7.2 | 117.5 | D110 | R108-D110 VanDerWaalsContact CD-CG 3.48Å; R108-D110 WeakPolarHBondContact CD-OD1 3.48Å; R108-D110 IonicContact CZ-OD1 2.64Å; R108-D110 IonicContact NE-OD1 2.74Å; R108-D110 IonicContact NH1-OD1 3.91Å; R108-D110 PolarHBondContact NH1-OD1 3.3Å; R108-D110 IonicContact NH1-OD2 2.76Å | ||
| 109 | G | 45 | Very low | 49.3 | Very low | 73 Ų | 73 | 117.7 Ų | 117.7 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -130 | 141.5 | 146.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 110 | D | 46.8 | Very low | 49.4 | Very low | 125 Ų | 125 | 122.6 Ų | 122.6 | 67% | 0.668 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 167.7 | -156.6 | -74.5 | -86.5 | 0 | 0 | 0 | 118.5 | R108 | R108-D110 VanDerWaalsContact CD-CG 3.48Å; R108-D110 WeakPolarHBondContact CD-OD1 3.48Å; R108-D110 IonicContact CZ-OD1 2.64Å; R108-D110 IonicContact NE-OD1 2.74Å; R108-D110 IonicContact NH1-OD1 3.91Å; R108-D110 PolarHBondContact NH1-OD1 3.3Å; R108-D110 IonicContact NH1-OD2 2.76Å |
| 111 | T | 54.9 | Low | 49.5 | Very low | 134 Ų | 134 | 122.8 Ų | 122.8 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 146.9 | -171.3 | -54.2 | 0 | 0 | 0 | 0 | 114.9 | ||
| 112 | G | 42.8 | Very low | 49.7 | Very low | 72 Ų | 72 | 120.9 Ų | 120.9 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 144.2 | 162 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 113 | A | 44.5 | Very low | 50.6 | Low | 105 Ų | 105 | 120.4 Ų | 120.4 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | trans | -87.8 | 176.2 | -156 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 114 | T | 57 | Low | 51.1 | Low | 134 Ų | 134 | 120.5 Ų | 120.5 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -93.3 | 158.7 | -152.2 | -26.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 115 | G | 42.3 | Very low | 51.1 | Low | 69 Ų | 69 | 121.3 Ų | 121.3 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -120.4 | 128.9 | 151.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 116 | P | 49.9 | Very low | 51.3 | Low | 127 Ų | 127 | 121.1 Ų | 121.1 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 146.5 | -167.7 | 34.6 | -35.4 | 0 | 0 | 0 | 114.8 | ||
| 117 | Q | 56.7 | Low | 51.8 | Low | 195 Ų | 195 | 121.1 Ų | 121.1 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 131.6 | 162.7 | -170.2 | 173.6 | 13.8 | 0 | 0 | 110 | ||
| 118 | G | 57 | Low | 51.6 | Low | 64 Ų | 64 | 117.6 Ų | 117.6 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 155.2 | -175 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 119 | P | 53.6 | Low | 51.8 | Low | 134 Ų | 134 | 115.1 Ų | 115.1 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -74 | 152.9 | -173.3 | 30.1 | -35.8 | 0 | 0 | 0 | 114.2 | ||
| 120 | R | 55.8 | Low | 51.6 | Low | 232 Ų | 232 | 114.8 Ų | 114.8 | 88% | 0.875 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 126.2 | -179.7 | 176.5 | 179.6 | 178.3 | 176.9 | 1 | 112.2 | ||
| 121 | G | 50.6 | Low | 51.5 | Low | 65 Ų | 65 | 115.3 Ų | 115.3 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 149.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 122 | V | 52.8 | Low | 50.8 | Low | 136 Ų | 136 | 114.2 Ų | 114.2 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 147.1 | -176.8 | -67.8 | 0 | 0 | 0 | 0 | 112.8 | ||
| 123 | P | 66.3 | Low | 50.6 | Low | 116 Ų | 116 | 114.4 Ų | 114.4 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 142.3 | 169.2 | -20.2 | 33.2 | 0 | 0 | 0 | 112.2 | ||
| 124 | G | 51.8 | Low | 50.4 | Low | 75 Ų | 75 | 117.5 Ų | 117.5 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 151.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 125 | S | 50.3 | Low | 49.8 | Very low | 116 Ų | 116 | 116.2 Ų | 116.2 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -69 | 142.3 | -179.8 | 51.3 | 0 | 0 | 0 | 0 | 113 | ||
| 126 | P | 61.2 | Low | 50 | Low | 128 Ų | 128 | 117.7 Ų | 117.7 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -58 | 142.2 | 171.7 | -23.9 | 34.3 | 0 | 0 | 0 | 113 | ||
| 127 | G | 51.8 | Low | 49.7 | Very low | 73 Ų | 73 | 118.7 Ų | 118.7 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 142.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 128 | S | 41.9 | Very low | 48.9 | Very low | 114 Ų | 114 | 112.7 Ų | 112.7 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 132 | 177.1 | 52.1 | 0 | 0 | 0 | 0 | 112.2 | ||
| 129 | P | 54.7 | Low | 48.3 | Very low | 131 Ų | 131 | 119.5 Ų | 119.5 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 136.1 | 178.1 | -23.9 | 34.5 | 0 | 0 | 0 | 114.1 | ||
| 130 | G | 41.6 | Very low | 47.9 | Very low | 66 Ų | 66 | 119.5 Ų | 119.5 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 155.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 131 | P | 44.8 | Very low | 47.3 | Very low | 136 Ų | 136 | 111.5 Ų | 111.5 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 154.8 | -170.8 | 31.3 | -36.3 | 0 | 0 | 0 | 113.9 | ||
| 132 | A | 40.4 | Very low | 47.4 | Very low | 110 Ų | 110 | 114.9 Ų | 114.9 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -77 | 137.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 133 | G | 37 | Very low | 47 | Very low | 76 Ų | 76 | 114 Ų | 114 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | trans | -124.4 | 156.9 | 170 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 134 | L | 41.5 | Very low | 46 | Very low | 170 Ų | 170 | 112.1 Ų | 112.1 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | trans | -96.2 | 151.5 | -163.3 | -75.2 | 146.6 | 0 | 0 | 0 | 114.9 | ||||
| 135 | S | 42.9 | Very low | 45.8 | Very low | 107 Ų | 107 | 116.8 Ų | 116.8 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | trans | 74.7 | 121.8 | 151.1 | -62.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 136 | A | 48.2 | Very low | 46.4 | Very low | 100 Ų | 100 | 117 Ų | 117 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | trans | 50.6 | 117.8 | 145.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 137 | T | 41.8 | Very low | 45.9 | Very low | 148 Ų | 148 | 114.5 Ų | 114.5 | 91% | 0.908 | 82% | 0.816 | S | S | * | * | trans | -148.5 | 143.4 | 166.9 | -39 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 138 | G | 40.6 | Very low | 45.8 | Very low | 70 Ų | 70 | 116.1 Ų | 116.1 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | trans | -94.4 | 170.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 139 | K | 43.9 | Very low | 46.3 | Very low | 207 Ų | 207 | 119.5 Ų | 119.5 | 90% | 0.9 | 83% | 0.828 | S | S | * | * | trans | -68.9 | 164.3 | 164.7 | -62.3 | 177.6 | -178.1 | 179.6 | 0 | 109.7 | ||||
| 140 | P | 46.8 | Very low | 46.6 | Very low | 133 Ų | 133 | 115.9 Ų | 115.9 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | cis | -143.1 | -174.4 | 23.2 | 43.3 | -24.2 | 0 | 0 | 0 | 116.8 | ||||
| 141 | G | 42.5 | Very low | 47.2 | Very low | 65 Ų | 65 | 119 Ų | 119 | 67% | 0.67 | 82% | 0.822 | S | S | * | * | trans | 140.6 | 103.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 142 | P | 52.1 | Low | 48 | Very low | 135 Ų | 135 | 124.1 Ų | 124.1 | 88% | 0.877 | 82% | 0.824 | S | S | * | * | trans | -88.4 | 134.6 | 173.1 | 33.8 | -30.9 | 0 | 0 | 0 | 111.9 | ||||
| 143 | S | 45.5 | Very low | 48.7 | Very low | 119 Ų | 119 | 121.9 Ų | 121.9 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -135.9 | 128.2 | -179.4 | -68.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 144 | G | 45.2 | Very low | 49.3 | Very low | 75 Ų | 75 | 127.2 Ų | 127.2 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | 70.3 | 108.3 | 156.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 145 | L | 47.6 | Very low | 50.5 | Low | 174 Ų | 174 | 125 Ų | 125 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 129.6 | 156.4 | -75 | 169 | 0 | 0 | 0 | 109.3 | ||
| 146 | P | 61.8 | Low | 51 | Low | 121 Ų | 121 | 123.3 Ų | 123.3 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 143.3 | 171.7 | -24.3 | 35.2 | 0 | 0 | 0 | 112.1 | ||
| 147 | G | 50.9 | Low | 51 | Low | 75 Ų | 75 | 126.8 Ų | 126.8 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 151.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | M149 | G147-M149 PolarHBondContact O-N 2.82Š|
| 148 | A | 49.1 | Very low | 51.9 | Low | 106 Ų | 106 | 129.3 Ų | 129.3 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 129.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112 | G150 | A148-G150 PolarHBondContact O-N 3.23Š|
| 149 | M | 54.4 | Low | 52.4 | Low | 186 Ų | 186 | 129.1 Ų | 129.1 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 126 | 172.8 | 179.3 | 170.5 | 59.6 | 0 | 0 | 109.7 | G147 | G147-M149 PolarHBondContact O-N 2.82Š|
| 150 | G | 59.4 | Low | 52.4 | Low | 55 Ų | 55 | 127.6 Ų | 127.6 | 57% | 0.567 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 154.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | A148 R152 | A148-G150 PolarHBondContact O-N 3.23Å; G150-R152 PolarHBondContact O-N 3.14Å |
| 151 | P | 55.7 | Low | 53 | Low | 132 Ų | 132 | 127.3 Ų | 127.3 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 131.2 | -176.3 | 24.7 | -34 | 0 | 0 | 0 | 111.2 | G153 | P151-G153 PolarHBondContact O-N 3.46Š|
| 152 | R | 60.5 | Low | 53.2 | Low | 242 Ų | 242 | 127.6 Ų | 127.6 | 91% | 0.913 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 121.4 | 175.2 | 179.3 | 178.5 | -179.1 | 167.4 | 0.5 | 109.1 | G150 | G150-R152 PolarHBondContact O-N 3.14Š|
| 153 | G | 54.7 | Low | 53 | Low | 64 Ų | 64 | 129.1 Ų | 129.1 | 66% | 0.66 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 142.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P151 | P151-G153 PolarHBondContact O-N 3.46Š|
| 154 | E | 50.7 | Low | 53.7 | Low | 187 Ų | 187 | 129 Ų | 129 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 139.2 | -174 | -60.6 | -175.1 | 140.1 | 0 | 0 | 111.9 | G156 | E154-G156 PolarHBondContact O-N 3.39Š|
| 155 | P | 65.3 | Low | 53.4 | Low | 123 Ų | 123 | 128.9 Ų | 128.9 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 120.4 | 171.6 | -21.5 | 33.5 | 0 | 0 | 0 | 110.7 | L157 | P155-L157 PolarHBondContact O-N 3.47Š|
| 156 | G | 54.5 | Low | 53.2 | Low | 73 Ų | 73 | 128.9 Ų | 128.9 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 137 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E154 K158 | E154-G156 PolarHBondContact O-N 3.39Å; G156-K158 PolarHBondContact O-N 3.01Å |
| 157 | L | 48.8 | Very low | 53.1 | Low | 173 Ų | 173 | 129 Ų | 129 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 122.6 | -173.2 | -67.6 | 173 | 0 | 0 | 0 | 112 | P155 G159 | P155-L157 PolarHBondContact O-N 3.47Å; L157-G159 PolarHBondContact O-N 2.9Å |
| 158 | K | 59.2 | Low | 52.6 | Low | 201 Ų | 201 | 128.9 Ų | 128.9 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 121.7 | 179.8 | -167.1 | 176.6 | -176.8 | -179.2 | 0 | 109.7 | G156 | G156-K158 PolarHBondContact O-N 3.01Š|
| 159 | G | 52.7 | Low | 52.9 | Low | 65 Ų | 65 | 130.2 Ų | 130.2 | 67% | 0.67 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 139.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L157 | L157-G159 PolarHBondContact O-N 2.9Š|
| 160 | H | 42.3 | Very low | 52.3 | Low | 175 Ų | 175 | 131.7 Ų | 131.7 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 137 | -173 | -45.2 | -27.2 | 0 | 0 | 0 | 111 | ||
| 161 | P | 60.4 | Low | 51.5 | Low | 127 Ų | 127 | 132.4 Ų | 132.4 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 140.5 | 174.4 | -24.3 | 34.8 | 0 | 0 | 0 | 112.4 | ||
| 162 | G | 47.3 | Very low | 51 | Low | 71 Ų | 71 | 134 Ų | 134 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 145.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | P164 | G162-P164 WeakPolarHBondContact O-CD 3.11Š|
| 163 | I | 47.6 | Very low | 50.1 | Low | 168 Ų | 168 | 133.5 Ų | 133.5 | 86% | 0.862 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 125.2 | -177 | -51.1 | 173.9 | 0 | 0 | 0 | 110.2 | ||
| 164 | P | 58.8 | Low | 49.3 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 75% | 0.747 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 147.1 | 172.8 | -21.9 | 34.7 | 0 | 0 | 0 | 113.1 | G162 | G162-P164 WeakPolarHBondContact O-CD 3.11Š|
| 165 | G | 40.2 | Very low | 48.6 | Very low | 74 Ų | 74 | 134 Ų | 134 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 149.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 166 | L | 42.8 | Very low | 47.2 | Very low | 173 Ų | 173 | 131.7 Ų | 131.7 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 130.9 | -179.1 | -70.9 | 168.3 | 0 | 0 | 0 | 112.9 | ||
| 167 | P | 59.5 | Low | 46.5 | Very low | 124 Ų | 124 | 135 Ų | 135 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 152.7 | 167.5 | -20.4 | 34 | 0 | 0 | 0 | 113.5 | ||
| 168 | G | 41 | Very low | 46.5 | Very low | 72 Ų | 72 | 133 Ų | 133 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 158.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 169 | P | 55.7 | Low | 45.7 | Very low | 135 Ų | 135 | 126.9 Ų | 126.9 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 147.9 | -169.6 | 36.3 | -36.4 | 0 | 0 | 0 | 115.9 | ||
| 170 | K | 41.4 | Very low | 45.8 | Very low | 217 Ų | 217 | 129.6 Ų | 129.6 | 94% | 0.943 | 81% | 0.812 | S | S | * | * | trans | -171.2 | 139.6 | 167.7 | -175.7 | 180 | -178.3 | -177.8 | 0 | 108.1 | ||||
| 171 | G | 42.2 | Very low | 45.6 | Very low | 69 Ų | 69 | 130 Ų | 130 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | cis | 179.4 | 159.4 | -5.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 172 | D | 44.5 | Very low | 44.8 | Very low | 167 Ų | 167 | 127.1 Ų | 127.1 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | trans | -89.3 | 154.5 | -158.7 | -71.8 | -59.1 | 0 | 0 | 0 | 119.3 | ||||
| 173 | R | 43.2 | Very low | 44.8 | Very low | 231 Ų | 231 | 132.1 Ų | 132.1 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | trans | 100.4 | 132.7 | 136.9 | -136.9 | 178.8 | -150.8 | -163.9 | 6.1 | 121.3 | ||||
| 174 | G | 36.3 | Very low | 44.6 | Very low | 71 Ų | 71 | 131.3 Ų | 131.3 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | trans | -173.1 | 149.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 175 | F | 37.7 | Very low | 43.9 | Very low | 191 Ų | 191 | 128.7 Ų | 128.7 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | trans | -132 | 152 | -171.1 | -99.7 | -102.7 | 0 | 0 | 0 | 112.8 | ||||
| 176 | G | 35.3 | Very low | 44.6 | Very low | 73 Ų | 73 | 131.8 Ų | 131.8 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | trans | 175.8 | 119 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 177 | V | 39.5 | Very low | 44.6 | Very low | 142 Ų | 142 | 132.8 Ų | 132.8 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | trans | -162.4 | 169.4 | 171.5 | -105.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 178 | P | 48.2 | Very low | 43.8 | Very low | 132 Ų | 132 | 130 Ų | 130 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | cis | -135.1 | -170.4 | 9 | 42.3 | -23.8 | 0 | 0 | 0 | 115.5 | ||||
| 179 | G | 42.6 | Very low | 44.8 | Very low | 72 Ų | 72 | 133 Ų | 133 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | trans | 165.1 | 126.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 180 | P | 55.2 | Low | 43.9 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | trans | -127 | 167.2 | -160.4 | 43.6 | -32.3 | 0 | 0 | 0 | 119.1 | ||||
| 181 | Q | 39.2 | Very low | 44 | Very low | 184 Ų | 184 | 128.3 Ų | 128.3 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | 74.7 | 146.1 | 151.9 | -150.4 | 161.6 | 6.7 | 0 | 0 | 117.6 | ||||
| 182 | G | 41.8 | Very low | 44.5 | Very low | 66 Ų | 66 | 131.5 Ų | 131.5 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | cis | -151.7 | -151.1 | 10.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 183 | E | 49.2 | Very low | 44.7 | Very low | 176 Ų | 176 | 130.3 Ų | 130.3 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | trans | -117.7 | -170.9 | -147.9 | -53.6 | 173.3 | 113.2 | 0 | 0 | 114.9 | ||||
| 184 | T | 42.2 | Very low | 44.9 | Very low | 152 Ų | 152 | 122.6 Ų | 122.6 | 93% | 0.933 | 80% | 0.804 | S | S | * | * | trans | 86.3 | 133.3 | 178.3 | -34.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 185 | G | 44.4 | Very low | 45 | Very low | 60 Ų | 60 | 124.3 Ų | 124.3 | 62% | 0.619 | 81% | 0.811 | S | S | * | * | cis | 172.2 | 139.1 | -7.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 186 | P | 54.5 | Low | 45.3 | Very low | 139 Ų | 139 | 122 Ų | 122 | 90% | 0.903 | 81% | 0.813 | S | S | * | * | trans | -83.4 | 134.3 | -169.1 | 31.7 | -34.5 | 0 | 0 | 0 | 113.3 | ||||
| 187 | Q | 42.8 | Very low | 45.5 | Very low | 193 Ų | 193 | 122.1 Ų | 122.1 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | trans | -141.3 | 125.2 | 172.7 | -171.5 | 174.6 | 9.8 | 0 | 0 | 113.6 | ||||
| 188 | G | 43.6 | Very low | 45.5 | Very low | 66 Ų | 66 | 119.8 Ų | 119.8 | 68% | 0.68 | 81% | 0.81 | S | S | * | * | trans | 60 | 105 | 138.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 189 | P | 62.5 | Low | 45.5 | Very low | 136 Ų | 136 | 119.6 Ų | 119.6 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | trans | -86.8 | 117.7 | 167.7 | 33.2 | -31.2 | 0 | 0 | 0 | 113 | ||||
| 190 | M | 36.3 | Very low | 45.3 | Very low | 193 Ų | 193 | 119.8 Ų | 119.8 | 95% | 0.951 | 81% | 0.811 | S | S | * | * | trans | -164.5 | 145.7 | 162.6 | -170.5 | 163.4 | 60 | 0 | 0 | 108.7 | ||||
| 191 | G | 42.6 | Very low | 44.7 | Very low | 60 Ų | 60 | 122.5 Ų | 122.5 | 62% | 0.619 | 82% | 0.817 | S | S | * | * | cis | -153.9 | -164.3 | -0.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 192 | P | 53.3 | Low | 44.7 | Very low | 135 Ų | 135 | 117.2 Ų | 117.2 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 170.8 | -166.3 | 30.7 | -36 | 0 | 0 | 0 | 116.7 | ||
| 193 | T | 49.5 | Very low | 45 | Very low | 142 Ų | 142 | 125.7 Ų | 125.7 | 87% | 0.871 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 140.2 | -164.4 | -43.2 | 0 | 0 | 0 | 0 | 118 | ||
| 194 | G | 45.9 | Very low | 45 | Very low | 69 Ų | 69 | 123.8 Ų | 123.8 | 71% | 0.711 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 149.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 195 | A | 38.8 | Very low | 45.1 | Very low | 107 Ų | 107 | 119.6 Ų | 119.6 | 88% | 0.884 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 171.3 | -163.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 196 | T | 43.5 | Very low | 45.3 | Very low | 142 Ų | 142 | 126.4 Ų | 126.4 | 87% | 0.871 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 146.7 | -165.3 | -39.2 | 0 | 0 | 0 | 0 | 117.1 | ||
| 197 | G | 39.6 | Very low | 45.1 | Very low | 76 Ų | 76 | 126.1 Ų | 126.1 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | trans | -138.5 | 141 | 157.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 198 | A | 40.2 | Very low | 45.5 | Very low | 93 Ų | 93 | 120.6 Ų | 120.6 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | -155.6 | 172.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 199 | P | 48.2 | Very low | 45.5 | Very low | 129 Ų | 129 | 122.3 Ų | 122.3 | 84% | 0.838 | 83% | 0.827 | S | S | * | * | cis | -124.6 | -174.1 | 0.8 | 41.8 | -27 | 0 | 0 | 0 | 113.8 | ||||
| 200 | G | 39.3 | Very low | 45.1 | Very low | 75 Ų | 75 | 123.7 Ų | 123.7 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | trans | -171.6 | 38.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 201 | I | 41.4 | Very low | 45.6 | Very low | 179 Ų | 179 | 118 Ų | 118 | 92% | 0.918 | 82% | 0.817 | S | S | * | * | trans | 20.3 | 116.2 | 161.6 | -54.1 | 175.2 | 0 | 0 | 0 | 119.3 | ||||
| 202 | G | 40 | Very low | 46.1 | Very low | 73 Ų | 73 | 123.4 Ų | 123.4 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | trans | 171 | 114.4 | 159.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 203 | R | 47.1 | Very low | 46.5 | Very low | 245 Ų | 245 | 122.9 Ų | 122.9 | 93% | 0.925 | 82% | 0.822 | S | S | * | * | trans | -133.2 | 152.4 | 169.2 | -67.3 | -173.9 | 179.2 | -168.2 | 1.4 | 108.2 | ||||
| 204 | P | 49.3 | Very low | 46.6 | Very low | 135 Ų | 135 | 119.6 Ų | 119.6 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | cis | -82.8 | -170.1 | 41.1 | -18.9 | 35.4 | 0 | 0 | 0 | 116 | ||||
| 205 | G | 44.2 | Very low | 46.8 | Very low | 65 Ų | 65 | 125.5 Ų | 125.5 | 67% | 0.67 | 82% | 0.823 | S | S | * | * | cis | 173.2 | 179.1 | 2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 206 | K | 49.3 | Very low | 47.2 | Very low | 203 Ų | 203 | 126.3 Ų | 126.3 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | trans | -153.8 | 128.3 | 172.9 | -67.2 | -169 | -178.9 | -172.8 | 0 | 113.4 | ||||
| 207 | P | 50.7 | Low | 47.5 | Very low | 132 Ų | 132 | 123.2 Ų | 123.2 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 148.7 | 139 | -13.7 | 30.9 | 0 | 0 | 0 | 110 | ||
| 208 | G | 49.9 | Very low | 47.6 | Very low | 77 Ų | 77 | 125 Ų | 125 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -84 | 148.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 209 | A | 44.9 | Very low | 48.5 | Very low | 103 Ų | 103 | 126.4 Ų | 126.4 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 140.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 210 | N | 52.5 | Low | 48.8 | Very low | 165 Ų | 165 | 123.8 Ų | 123.8 | 88% | 0.882 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 152.1 | 169.6 | -77.7 | -15.2 | 0 | 0 | 0 | 110.6 | ||
| 211 | G | 48.5 | Very low | 49.3 | Very low | 72 Ų | 72 | 132.2 Ų | 132.2 | 74% | 0.742 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 157.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 212 | E | 51.9 | Low | 50 | Low | 174 Ų | 174 | 131.4 Ų | 131.4 | 81% | 0.813 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 131.4 | 179.4 | -60.5 | 178 | 109.3 | 0 | 0 | 112.5 | ||
| 213 | P | 61.7 | Low | 50.6 | Low | 124 Ų | 124 | 131.4 Ų | 131.4 | 81% | 0.805 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -65 | 139 | 156.1 | -19.9 | 34 | 0 | 0 | 0 | 110.8 | ||
| 214 | G | 51.6 | Low | 50.8 | Low | 73 Ų | 73 | 124.4 Ų | 124.4 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 149.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 215 | K | 50.7 | Low | 51.8 | Low | 194 Ų | 194 | 124 Ų | 124 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 136.7 | 179.9 | -61.3 | 167.6 | -175.5 | 169.9 | 0 | 111.5 | ||
| 216 | S | 46.2 | Very low | 52.5 | Low | 124 Ų | 124 | 123.9 Ų | 123.9 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 145.6 | 161.6 | -59.4 | 0 | 0 | 0 | 0 | 110.7 | ||
| 217 | G | 49.5 | Very low | 53 | Low | 76 Ų | 76 | 120.7 Ų | 120.7 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -77 | 157.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 218 | S | 43.1 | Very low | 53.5 | Low | 113 Ų | 113 | 123.2 Ų | 123.2 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 137.2 | 174.5 | 51.4 | 0 | 0 | 0 | 0 | 112.3 | ||
| 219 | P | 59.4 | Low | 54 | Low | 124 Ų | 124 | 122.2 Ų | 122.2 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 152.7 | 162.7 | -24.4 | 35.3 | 0 | 0 | 0 | 112.4 | ||
| 220 | G | 52.7 | Low | 54.8 | Low | 74 Ų | 74 | 123.7 Ų | 123.7 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 161.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 221 | R | 50.5 | Low | 55.6 | Low | 252 Ų | 252 | 125 Ų | 125 | 95% | 0.951 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 136.9 | 168.6 | -89.9 | -179.7 | 163.1 | 178 | -6 | 110.6 | ||
| 222 | D | 57 | Low | 56 | Low | 161 Ų | 161 | 124.3 Ų | 124.3 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 152.4 | 163.5 | -65.1 | -56.1 | 0 | 0 | 0 | 111.7 | ||
| 223 | G | 50.9 | Low | 56.4 | Low | 73 Ų | 73 | 122.4 Ų | 122.4 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 147 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 224 | A | 53.1 | Low | 56.5 | Low | 98 Ų | 98 | 125.9 Ų | 125.9 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -68 | 136.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 225 | P | 69.3 | Low | 56.6 | Low | 126 Ų | 126 | 125.4 Ų | 125.4 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 141.1 | 168 | -24.4 | 34.8 | 0 | 0 | 0 | 111.7 | ||
| 226 | G | 58.5 | Low | 56.6 | Low | 64 Ų | 64 | 125.5 Ų | 125.5 | 66% | 0.66 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 153.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | M228 | G226-M228 PolarHBondContact O-N 2.66Š|
| 227 | P | 60.1 | Low | 57.3 | Low | 135 Ų | 135 | 126.3 Ų | 126.3 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 132 | -177 | 26.2 | -34.3 | 0 | 0 | 0 | 111.8 | ||
| 228 | M | 60.7 | Low | 57.4 | Low | 185 Ų | 185 | 125.8 Ų | 125.8 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 131.8 | 172.5 | -178.8 | 169.2 | 61.3 | 0 | 0 | 110.1 | G226 | G226-M228 PolarHBondContact O-N 2.66Š|
| 229 | G | 61.8 | Low | 57.8 | Low | 57 Ų | 57 | 125 Ų | 125 | 59% | 0.588 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 151.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q231 | G229-Q231 PolarHBondContact O-N 3.26Š|
| 230 | P | 61.1 | Low | 57.2 | Low | 133 Ų | 133 | 125 Ų | 125 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 134.1 | -176.2 | 25.6 | -34.3 | 0 | 0 | 0 | 111.6 | G232 | P230-G232 PolarHBondContact O-N 3.38Š|
| 231 | Q | 68.9 | Low | 57 | Low | 194 Ų | 194 | 125.4 Ų | 125.4 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 126.7 | 177 | -173 | 173.1 | 44.5 | 0 | 0 | 110.1 | G229 | G229-Q231 PolarHBondContact O-N 3.26Š|
| 232 | G | 57.7 | Low | 56.8 | Low | 56 Ų | 56 | 120.5 Ų | 120.5 | 58% | 0.577 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 148.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.8 | P230 K234 | P230-G232 PolarHBondContact O-N 3.38Å; G232-K234 PolarHBondContact O-N 2.78Å |
| 233 | P | 59.7 | Low | 56.2 | Low | 134 Ų | 134 | 116.3 Ų | 116.3 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 130.4 | -174.4 | 24.3 | -33.9 | 0 | 0 | 0 | 111.6 | G235 | P233-G235 PolarHBondContact O-N 3.25Š|
| 234 | K | 63.5 | Low | 55.8 | Low | 198 Ų | 198 | 121 Ų | 121 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 120.5 | 179.3 | -177.1 | 176.4 | 178.3 | -179.9 | 0 | 110 | G232 | G232-K234 PolarHBondContact O-N 2.78Š|
| 235 | G | 54.2 | Low | 55.7 | Low | 63 Ų | 63 | 122.6 Ų | 122.6 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 141.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | P233 | P233-G235 PolarHBondContact O-N 3.25Š|
| 236 | H | 51.1 | Low | 54.5 | Low | 195 Ų | 195 | 119.9 Ų | 119.9 | 90% | 0.903 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 130.1 | -178.1 | -62.5 | -108.7 | 0 | 0 | 0 | 110.9 | G238 | H236-G238 PolarHBondContact O-N 3.42Š|
| 237 | T | 59.6 | Low | 53.8 | Low | 142 Ų | 142 | 126.8 Ų | 126.8 | 87% | 0.871 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 124.9 | 175.3 | -47.3 | 0 | 0 | 0 | 0 | 110.1 | ||
| 238 | G | 52.3 | Low | 53.3 | Low | 65 Ų | 65 | 126.8 Ų | 126.8 | 67% | 0.67 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 152.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | H236 | H236-G238 PolarHBondContact O-N 3.42Š|
| 239 | A | 51.3 | Low | 52.6 | Low | 96 Ų | 96 | 121.3 Ų | 121.3 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 145.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G241 | A239-G241 PolarHBondContact O-N 3.43Š|
| 240 | P | 46.7 | Very low | 51.7 | Low | 125 Ų | 125 | 127.8 Ų | 127.8 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 120.6 | -179.9 | -19.8 | 32.8 | 0 | 0 | 0 | 112.4 | ||
| 241 | G | 48.1 | Very low | 51 | Low | 82 Ų | 82 | 129.7 Ų | 129.7 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -77 | 124.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A239 | A239-G241 PolarHBondContact O-N 3.43Š|
| 242 | V | 47.3 | Very low | 50.1 | Low | 149 Ų | 149 | 123.6 Ų | 123.6 | 90% | 0.903 | 81% | 0.812 | S | S | * | * | trans | -103.3 | 114.8 | 172.6 | -178.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 243 | G | 44 | Very low | 49.5 | Very low | 72 Ų | 72 | 125.6 Ų | 125.6 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | trans | -156 | 131.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 244 | L | 42.2 | Very low | 49.5 | Very low | 171 Ų | 171 | 125.4 Ų | 125.4 | 90% | 0.895 | 82% | 0.822 | S | S | * | * | trans | -86.3 | 147.8 | -171.8 | -71.2 | 163.3 | 0 | 0 | 0 | 112.4 | ||||
| 245 | P | 52.5 | Low | 49.1 | Very low | 132 Ų | 132 | 119.1 Ų | 119.1 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | trans | -83.9 | 140.3 | -173.6 | 32.4 | -35.5 | 0 | 0 | 0 | 114.7 | ||||
| 246 | G | 43.8 | Very low | 48.9 | Very low | 70 Ų | 70 | 124.2 Ų | 124.2 | 72% | 0.722 | 83% | 0.825 | S | S | * | * | trans | 149 | 143 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 247 | K | 43.4 | Very low | 49.6 | Very low | 209 Ų | 209 | 120.7 Ų | 120.7 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | cis | -142.8 | 158.8 | 3.4 | -56.1 | 173.1 | -172.8 | 173.7 | 0 | 108.7 | ||||
| 248 | S | 50.3 | Low | 49.7 | Very low | 134 Ų | 134 | 116.7 Ų | 116.7 | 94% | 0.937 | 81% | 0.806 | S | S | * | * | trans | -82.7 | 145.7 | -179.4 | -56.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 249 | G | 44.2 | Very low | 50.1 | Low | 71 Ų | 71 | 119.8 Ų | 119.8 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | trans | 137.3 | 130.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 250 | E | 43.9 | Very low | 50.8 | Low | 192 Ų | 192 | 122 Ų | 122 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | cis | -134.4 | 166.5 | -3.3 | -65.9 | -176.3 | 113.1 | 0 | 0 | 110.3 | G252 | E250-G252 PolarHBondContact O-N 3.49Š| ||
| 251 | N | 45.5 | Very low | 51.4 | Low | 174 Ų | 174 | 118.6 Ų | 118.6 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | trans | -76.5 | 92.7 | -173.4 | -72.9 | -11.2 | 0 | 0 | 0 | 112.8 | ||||
| 252 | G | 50.1 | Low | 52 | Low | 66 Ų | 66 | 121 Ų | 121 | 68% | 0.68 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 135.2 | 158 | 0 | 0 | 0 | 0 | 0 | 111 | E250 | E250-G252 PolarHBondContact O-N 3.49Š|
| 253 | A | 46.2 | Very low | 52.7 | Low | 98 Ų | 98 | 122.7 Ų | 122.7 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 129.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | G255 | A253-G255 PolarHBondContact O-N 3.42Š|
| 254 | P | 58.5 | Low | 53.2 | Low | 130 Ų | 130 | 122.2 Ų | 122.2 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 123.8 | 176 | -24.7 | 34.8 | 0 | 0 | 0 | 111.6 | ||
| 255 | G | 55.6 | Low | 53.4 | Low | 66 Ų | 66 | 123.6 Ų | 123.6 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 147.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A253 | A253-G255 PolarHBondContact O-N 3.42Š|
| 256 | L | 50.8 | Low | 53.8 | Low | 170 Ų | 170 | 125.3 Ų | 125.3 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 128.8 | 177 | -70.9 | 169.4 | 0 | 0 | 0 | 110.2 | G258 | L256-G258 PolarHBondContact O-N 3.02Š|
| 257 | P | 66.2 | Low | 54.5 | Low | 121 Ų | 121 | 124.5 Ų | 124.5 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 130.4 | 173.6 | -26 | 35 | 0 | 0 | 0 | 110.9 | ||
| 258 | G | 60.7 | Low | 55.1 | Low | 58 Ų | 58 | 121 Ų | 121 | 60% | 0.598 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 149.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L256 V260 | L256-G258 PolarHBondContact O-N 3.02Å; G258-V260 PolarHBondContact O-N 2.8Å |
| 259 | P | 61.3 | Low | 55.5 | Low | 130 Ų | 130 | 119 Ų | 119 | 84% | 0.844 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 129 | -178.5 | 24.5 | -33.9 | 0 | 0 | 0 | 110.5 | G261 | P259-G261 PolarHBondContact O-N 3.41Š|
| 260 | V | 66.4 | Low | 56.1 | Low | 143 Ų | 143 | 119 Ų | 119 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 120.9 | 176.5 | 176.4 | 0 | 0 | 0 | 0 | 108.5 | G258 | G258-V260 PolarHBondContact O-N 2.8Š|
| 261 | G | 58.6 | Low | 56.3 | Low | 53 Ų | 53 | 114.4 Ų | 114.4 | 55% | 0.546 | 77% | 0.771 | S | S | . | * | P | Polyproline II helix | trans | -55.6 | 145.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | P259 K263 | P259-G261 PolarHBondContact O-N 3.41Å; G261-K263 PolarHBondContact O-N 2.87Å; G261-K263 VanDerWaalsContact O-N 3.1Å |
| 262 | P | 60.4 | Low | 57.2 | Low | 133 Ų | 133 | 112 Ų | 112 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 121.2 | -173.6 | 22.7 | -33.4 | 0 | 0 | 0 | 110.5 | G264 | P262-G264 PolarHBondContact O-N 2.83Å; P262-G264 VanDerWaalsContact O-N 3.09Å |
| 263 | K | 61.7 | Low | 57.4 | Low | 184 Ų | 184 | 112.1 Ų | 112.1 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -55 | 117.7 | 176 | -179.1 | -174.4 | -178.4 | -170.5 | 0 | 108.3 | G261 | G261-K263 PolarHBondContact O-N 2.87Å; G261-K263 VanDerWaalsContact O-N 3.1Å |
| 264 | G | 54.3 | Low | 57.4 | Low | 62 Ų | 62 | 112.1 Ų | 112.1 | 64% | 0.639 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 140.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P262 Q266 | P262-G264 PolarHBondContact O-N 2.83Å; P262-G264 VanDerWaalsContact O-N 3.09Å; G264-Q266 PolarHBondContact O-N 2.89Å; G264-Q266 VanDerWaalsContact O-N 3.12Å |
| 265 | H | 47.3 | Very low | 57.3 | Low | 199 Ų | 199 | 112 Ų | 112 | 92% | 0.921 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 119.5 | -175.2 | -65.4 | -78.7 | 0 | 0 | 0 | 110.6 | G267 | H265-G267 PolarHBondContact O-N 2.8Š|
| 266 | Q | 59.9 | Low | 56.9 | Low | 168 Ų | 168 | 112.2 Ų | 112.2 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 125.5 | 172.1 | -177.8 | 169.7 | -10.6 | 0 | 0 | 108.1 | G264 | G264-Q266 PolarHBondContact O-N 2.89Å; G264-Q266 VanDerWaalsContact O-N 3.12Å |
| 267 | G | 60 | Low | 56.7 | Low | 54 Ų | 54 | 111.3 Ų | 111.3 | 56% | 0.557 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 146.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | H265 A269 | H265-G267 PolarHBondContact O-N 2.8Å; G267-A269 PolarHBondContact O-N 3.08Å |
| 268 | P | 55.6 | Low | 55.5 | Low | 135 Ų | 135 | 111.3 Ų | 111.3 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 127.6 | -173.2 | 22.9 | -33.6 | 0 | 0 | 0 | 110.6 | G270 | P268-G270 PolarHBondContact O-N 2.86Š|
| 269 | A | 58.3 | Low | 54.5 | Low | 92 Ų | 92 | 112.5 Ų | 112.5 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 137.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | G267 A271 | G267-A269 PolarHBondContact O-N 3.08Å; A269-A271 PolarHBondContact O-N 3.15Å |
| 270 | G | 57.3 | Low | 53.6 | Low | 70 Ų | 70 | 117.6 Ų | 117.6 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 137 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | P268 P272 | P268-G270 PolarHBondContact O-N 2.86Å; G270-P272 WeakPolarHBondContact O-CD 3.41Å |
| 271 | A | 48.2 | Very low | 52.3 | Low | 96 Ų | 96 | 114.3 Ų | 114.3 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 125.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A269 G273 | A269-A271 PolarHBondContact O-N 3.15Å; A271-G273 PolarHBondContact O-N 3.33Å |
| 272 | P | 63.5 | Low | 51.7 | Low | 124 Ų | 124 | 121 Ų | 121 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 137.7 | 173.6 | -25.6 | 35.2 | 0 | 0 | 0 | 111.4 | G270 | G270-P272 WeakPolarHBondContact O-CD 3.41Š|
| 273 | G | 54.7 | Low | 51 | Low | 69 Ų | 69 | 120.9 Ų | 120.9 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 143.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A271 P275 | A271-G273 PolarHBondContact O-N 3.33Å; G273-P275 WeakPolarHBondContact O-CD 3.37Å |
| 274 | A | 46 | Very low | 50 | Low | 98 Ų | 98 | 115.8 Ų | 115.8 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 123.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 275 | P | 57.6 | Low | 49.7 | Very low | 126 Ų | 126 | 118 Ų | 118 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -62 | 136.4 | 172.7 | -24 | 35.1 | 0 | 0 | 0 | 112.2 | G273 | G273-P275 WeakPolarHBondContact O-CD 3.37Š|
| 276 | G | 46.2 | Very low | 49.4 | Very low | 71 Ų | 71 | 116.6 Ų | 116.6 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 145.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P278 | G276-P278 WeakPolarHBondContact O-CD 3.26Š|
| 277 | V | 47.3 | Very low | 48.8 | Very low | 151 Ų | 151 | 111.7 Ų | 111.7 | 92% | 0.915 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 125.7 | -174.8 | -83.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 278 | P | 40.6 | Very low | 48.1 | Very low | 122 Ų | 122 | 118.7 Ų | 118.7 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | trans | -117.6 | 130.1 | 170.5 | 14.8 | 8.3 | 0 | 0 | 0 | 113.8 | G276 | G276-P278 WeakPolarHBondContact O-CD 3.26Š| ||
| 279 | G | 39.2 | Very low | 47.7 | Very low | 82 Ų | 82 | 122.3 Ų | 122.3 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | trans | 67.6 | 105.7 | 143.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 280 | Y | 43.3 | Very low | 47.2 | Very low | 237 Ų | 237 | 121.3 Ų | 121.3 | 93% | 0.929 | 82% | 0.818 | S | S | * | * | trans | -72.6 | 137.2 | 162 | -98.5 | -89.7 | 0 | 0 | 0 | 112.2 | ||||
| 281 | G | 39.1 | Very low | 46.5 | Very low | 74 Ų | 74 | 127.4 Ų | 127.4 | 76% | 0.763 | 83% | 0.828 | S | S | * | * | trans | -162.7 | 109.1 | 165 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 282 | K | 46.3 | Very low | 46.4 | Very low | 195 Ų | 195 | 134.5 Ų | 134.5 | 85% | 0.848 | 83% | 0.834 | S | S | * | * | trans | -87.2 | 138.1 | 171.9 | -63.1 | -176.2 | 179 | -176 | 0 | 108.7 | ||||
| 283 | P | 43.9 | Very low | 45.5 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 84% | 0.844 | 83% | 0.829 | S | S | * | * | -150.6 | 170.6 | 93 | 39.2 | -22.7 | 0 | 0 | 0 | 115.9 | |||||
| 284 | G | 41.3 | Very low | 44.9 | Very low | 77 Ų | 77 | 133.2 Ų | 133.2 | 79% | 0.794 | 83% | 0.833 | S | S | * | * | trans | 94.1 | 91.7 | 155 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 285 | A | 48.4 | Very low | 45.3 | Very low | 108 Ų | 108 | 134.7 Ų | 134.7 | 89% | 0.893 | 84% | 0.835 | S | S | * | * | trans | -88.4 | 139.4 | 158.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 286 | N | 40.5 | Very low | 44.6 | Very low | 170 Ų | 170 | 132.2 Ų | 132.2 | 91% | 0.909 | 83% | 0.832 | S | S | * | * | trans | -154.2 | 132.2 | 177.4 | -166.6 | 13 | 0 | 0 | 0 | 112.8 | ||||
| 287 | G | 46.7 | Very low | 44.3 | Very low | 64 Ų | 64 | 134.4 Ų | 134.4 | 66% | 0.66 | 84% | 0.837 | S | S | * | * | trans | 71 | 85.2 | 157.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 288 | E | 46 | Very low | 44.6 | Very low | 201 Ų | 201 | 133.4 Ų | 133.4 | 94% | 0.939 | 83% | 0.833 | S | S | * | * | trans | -63.4 | 133.2 | 154.2 | -68.3 | -175.3 | 144.3 | 0 | 0 | 109.7 | ||||
| 289 | K | 46.7 | Very low | 44.8 | Very low | 211 Ų | 211 | 131 Ų | 131 | 92% | 0.917 | 83% | 0.831 | S | S | * | * | trans | -94.4 | 104.3 | -177.9 | -169.8 | 173 | -176.4 | 176.2 | 0 | 109.5 | ||||
| 290 | G | 48.1 | Very low | 44.9 | Very low | 72 Ų | 72 | 132.2 Ų | 132.2 | 74% | 0.742 | 83% | 0.832 | S | S | * | * | trans | -54.4 | 152.1 | -165.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 291 | E | 43.5 | Very low | 45.2 | Very low | 198 Ų | 198 | 127.6 Ų | 127.6 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | trans | -63 | 150.6 | -178.5 | -59.1 | -175.8 | 121.1 | 0 | 0 | 113 | ||||
| 292 | R | 45.9 | Very low | 45.5 | Very low | 245 Ų | 245 | 127.4 Ų | 127.4 | 93% | 0.925 | 83% | 0.827 | S | S | * | * | trans | -88.3 | 115.9 | 173.7 | -176.9 | 175.8 | -67.9 | 178.7 | -0.9 | 109.3 | ||||
| 293 | G | 44.5 | Very low | 45.3 | Very low | 67 Ų | 67 | 123.2 Ų | 123.2 | 69% | 0.691 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 150.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 294 | A | 42.6 | Very low | 45.6 | Very low | 98 Ų | 98 | 126.7 Ų | 126.7 | 81% | 0.81 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 138.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 295 | P | 54.4 | Low | 45.9 | Very low | 129 Ų | 129 | 126.5 Ų | 126.5 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -61 | 138.9 | 166.5 | -22.4 | 34.4 | 0 | 0 | 0 | 111.9 | ||
| 296 | G | 42.7 | Very low | 45.6 | Very low | 74 Ų | 74 | 130.8 Ų | 130.8 | 76% | 0.763 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 152.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 297 | S | 39.5 | Very low | 46.1 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 129.6 | -179.8 | 39.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 298 | P | 54.2 | Low | 46.3 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 146.7 | 164.2 | -23.3 | 35.4 | 0 | 0 | 0 | 111.9 | ||
| 299 | G | 43.9 | Very low | 46.3 | Very low | 73 Ų | 73 | 128.3 Ų | 128.3 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 154.3 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 300 | A | 41.8 | Very low | 46.4 | Very low | 106 Ų | 106 | 124.9 Ų | 124.9 | 88% | 0.876 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 129.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 301 | T | 48 | Very low | 46.3 | Very low | 141 Ų | 141 | 124.5 Ų | 124.5 | 87% | 0.865 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 135.5 | 167.8 | -58.6 | 0 | 0 | 0 | 0 | 109.3 | ||
| 302 | G | 46.8 | Very low | 46.3 | Very low | 70 Ų | 70 | 126.5 Ų | 126.5 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 148.7 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | K304 | G302-K304 PolarHBondContact O-N 3.25Š|
| 303 | A | 42.2 | Very low | 46.3 | Very low | 107 Ų | 107 | 121.5 Ų | 121.5 | 88% | 0.884 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 131.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 304 | K | 48.8 | Very low | 46.4 | Very low | 203 Ų | 203 | 121.5 Ų | 121.5 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 129 | 166.1 | -169.5 | 178.6 | -180 | -176.8 | 0 | 108.1 | G302 | G302-K304 PolarHBondContact O-N 3.25Š|
| 305 | G | 48.8 | Very low | 46.6 | Very low | 73 Ų | 73 | 122 Ų | 122 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 149.5 | -166.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 306 | E | 41.6 | Very low | 46.3 | Very low | 198 Ų | 198 | 122.4 Ų | 122.4 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 142.3 | 179.6 | -60.2 | 177.1 | 124.6 | 0 | 0 | 112.1 | ||
| 307 | Q | 51.9 | Low | 46.6 | Very low | 191 Ų | 191 | 121.9 Ų | 121.9 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -89 | 127 | 165.5 | -175 | 171.1 | -6.3 | 0 | 0 | 108.6 | ||
| 308 | G | 50.5 | Low | 46.8 | Very low | 55 Ų | 55 | 121.6 Ų | 121.6 | 57% | 0.567 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 150.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | T310 | G308-T310 PolarHBondContact O-N 2.9Š|
| 309 | P | 45.8 | Very low | 46.7 | Very low | 136 Ų | 136 | 122 Ų | 122 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 127.2 | -173.6 | 27.3 | -35 | 0 | 0 | 0 | 112 | ||
| 310 | T | 49.2 | Very low | 47 | Very low | 140 Ų | 140 | 121 Ų | 121 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 139.9 | 166.7 | -58.9 | 0 | 0 | 0 | 0 | 109.2 | G308 | G308-T310 PolarHBondContact O-N 2.9Š|
| 311 | G | 44.7 | Very low | 47.3 | Very low | 64 Ų | 64 | 122.4 Ų | 122.4 | 66% | 0.66 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 149.3 | -160.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 312 | Y | 44.9 | Very low | 47.4 | Very low | 240 Ų | 240 | 124 Ų | 124 | 94% | 0.941 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 138.8 | 174.2 | -67.3 | -89.4 | 0 | 0 | 0 | 112.3 | ||
| 313 | T | 45.5 | Very low | 47.8 | Very low | 140 Ų | 140 | 123.2 Ų | 123.2 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | trans | -118.8 | 150 | 161.2 | -45.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 314 | G | 45.4 | Very low | 48.1 | Very low | 66 Ų | 66 | 124.5 Ų | 124.5 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 149.5 | -160.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 315 | A | 48.7 | Very low | 48.4 | Very low | 110 Ų | 110 | 119.1 Ų | 119.1 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 130.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 316 | T | 46.8 | Very low | 48.7 | Very low | 137 Ų | 137 | 118.5 Ų | 118.5 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 148 | 165.8 | -59.8 | 0 | 0 | 0 | 0 | 109.3 | ||
| 317 | G | 48.5 | Very low | 49 | Very low | 63 Ų | 63 | 115.2 Ų | 115.2 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 150.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | T319 | G317-T319 PolarHBondContact O-N 3.5Š|
| 318 | A | 44.9 | Very low | 48.9 | Very low | 111 Ų | 111 | 114.5 Ų | 114.5 | 92% | 0.917 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 119.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 319 | T | 51.1 | Low | 48.7 | Very low | 137 Ų | 137 | 114.9 Ų | 114.9 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 141.8 | 164.2 | -57.7 | 0 | 0 | 0 | 0 | 108.8 | G317 | G317-T319 PolarHBondContact O-N 3.5Š|
| 320 | G | 50.4 | Low | 48.6 | Very low | 54 Ų | 54 | 117.2 Ų | 117.2 | 56% | 0.557 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 154.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | M322 | G320-M322 PolarHBondContact O-N 2.77Å; G320-M322 VanDerWaalsContact O-N 3.08Å |
| 321 | P | 48.4 | Very low | 48.5 | Very low | 135 Ų | 135 | 121.4 Ų | 121.4 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 117.2 | -176.1 | 24.9 | -33.9 | 0 | 0 | 0 | 110.7 | G323 | P321-G323 PolarHBondContact O-N 2.89Š|
| 322 | M | 50.8 | Low | 48.5 | Very low | 173 Ų | 173 | 121.3 Ų | 121.3 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 136.2 | 169.3 | -176.3 | 167 | 63.9 | 0 | 0 | 108.9 | G320 | G320-M322 PolarHBondContact O-N 2.77Å; G320-M322 VanDerWaalsContact O-N 3.08Å |
| 323 | G | 54.5 | Low | 48.2 | Very low | 55 Ų | 55 | 118.8 Ų | 118.8 | 57% | 0.567 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 147.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | P321 A325 | P321-G323 PolarHBondContact O-N 2.89Å; G323-A325 PolarHBondContact O-N 2.8Å; G323-A325 VanDerWaalsContact O-N 3.13Å |
| 324 | P | 49 | Very low | 48.8 | Very low | 134 Ų | 134 | 117.8 Ų | 117.8 | 87% | 0.87 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 123.2 | -176.3 | 24.2 | -33.9 | 0 | 0 | 0 | 109.5 | G326 | P324-G326 PolarHBondContact O-N 3.31Š|
| 325 | A | 55.1 | Low | 48.9 | Very low | 89 Ų | 89 | 118 Ų | 118 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 135.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | G323 | G323-A325 PolarHBondContact O-N 2.8Å; G323-A325 VanDerWaalsContact O-N 3.13Å |
| 326 | G | 54 | Low | 48.6 | Very low | 60 Ų | 60 | 117.5 Ų | 117.5 | 62% | 0.619 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 145.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | P324 Q328 | P324-G326 PolarHBondContact O-N 3.31Å; G326-Q328 PolarHBondContact O-N 2.83Å; G326-Q328 VanDerWaalsContact O-N 3.08Å |
| 327 | P | 48.1 | Very low | 49 | Very low | 130 Ų | 130 | 117.4 Ų | 117.4 | 84% | 0.844 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 120.8 | -175.3 | 23 | -33.5 | 0 | 0 | 0 | 109.8 | G329 | P327-G329 PolarHBondContact O-N 2.98Š|
| 328 | Q | 51.2 | Low | 49.1 | Very low | 175 Ų | 175 | 117 Ų | 117 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -59.9 | 113.7 | 179 | -174.8 | -165.3 | -97 | 0 | 0 | 108.2 | G326 E330 | G326-Q328 PolarHBondContact O-N 2.83Å; G326-Q328 VanDerWaalsContact O-N 3.08Å; Q328-E330 PolarHBondContact O-N 3.28Å | ||
| 329 | G | 45.7 | Very low | 49.4 | Very low | 63 Ų | 63 | 117.8 Ų | 117.8 | 65% | 0.649 | 76% | 0.759 | S | S | * | * | trans | -50.2 | 139.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | P327 R331 | P327-G329 PolarHBondContact O-N 2.98Å; G329-R331 PolarHBondContact O-N 3.23Å | ||
| 330 | E | 43.8 | Very low | 49.7 | Very low | 185 Ų | 185 | 117.7 Ų | 117.7 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | trans | -56.1 | 133.4 | -174 | -65.1 | -162.5 | 139.3 | 0 | 0 | 110.8 | Q328 G332 | Q328-E330 PolarHBondContact O-N 3.28Å; E330-G332 PolarHBondContact O-N 2.84Å | ||
| 331 | R | 47.4 | Very low | 49.5 | Very low | 229 Ų | 229 | 118.1 Ų | 118.1 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | trans | -66 | 106.2 | 176.8 | -178.8 | -177.9 | -61.5 | -151.6 | -0.1 | 107.8 | G329 F333 | G329-R331 PolarHBondContact O-N 3.23Å; R331-F333 PolarHBondContact O-N 2.69Å | ||
| 332 | G | 43.9 | Very low | 49.4 | Very low | 61 Ų | 61 | 120 Ų | 120 | 63% | 0.629 | 77% | 0.765 | S | S | * | * | trans | -45.4 | 133.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | E330 | E330-G332 PolarHBondContact O-N 2.84Š| ||
| 333 | F | 39.3 | Very low | 49.5 | Very low | 188 Ų | 188 | 121.2 Ų | 121.2 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 133 | -175.7 | -70.1 | -90.6 | 0 | 0 | 0 | 111.1 | R331 G335 | R331-F333 PolarHBondContact O-N 2.69Å; F333-G335 PolarHBondContact O-N 3.3Å; F333-G335 VanDerWaalsContact O-N 3.15Å |
| 334 | P | 57.5 | Low | 49.3 | Very low | 119 Ų | 119 | 121.7 Ų | 121.7 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -53 | 124.1 | 167.3 | -24.4 | 34.3 | 0 | 0 | 0 | 109.2 | A336 | P334-A336 PolarHBondContact O-N 3.4Š|
| 335 | G | 47.5 | Very low | 49.1 | Very low | 70 Ų | 70 | 123 Ų | 123 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 135.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | F333 T337 | F333-G335 PolarHBondContact O-N 3.3Å; F333-G335 VanDerWaalsContact O-N 3.15Å; G335-T337 PolarHBondContact O-N 2.88Å |
| 336 | A | 43.1 | Very low | 48.9 | Very low | 100 Ų | 100 | 125.6 Ų | 125.6 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 125.4 | -175 | 0 | 0 | 0 | 0 | 0 | 110.8 | P334 G338 | P334-A336 PolarHBondContact O-N 3.4Å; A336-G338 PolarHBondContact O-N 2.86Å |
| 337 | T | 54.4 | Low | 48.7 | Very low | 135 Ų | 135 | 125.4 Ų | 125.4 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 118.1 | 176.5 | -51.1 | 0 | 0 | 0 | 0 | 108.8 | G335 | G335-T337 PolarHBondContact O-N 2.88Š|
| 338 | G | 51.2 | Low | 48.9 | Very low | 53 Ų | 53 | 125.2 Ų | 125.2 | 55% | 0.546 | 77% | 0.774 | S | S | . | * | P | Polyproline II helix | trans | -53.4 | 141.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | A336 T340 | A336-G338 PolarHBondContact O-N 2.86Å; G338-T340 PolarHBondContact O-N 2.87Å |
| 339 | P | 51.2 | Low | 49 | Very low | 129 Ų | 129 | 122.9 Ų | 122.9 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 127.4 | -173.7 | 22.8 | -33.5 | 0 | 0 | 0 | 110 | G341 | P339-G341 PolarHBondContact O-N 3.02Š|
| 340 | T | 56.5 | Low | 49.3 | Very low | 135 Ų | 135 | 123 Ų | 123 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 116.6 | 178.3 | -53.9 | 0 | 0 | 0 | 0 | 108.8 | G338 L342 | G338-T340 PolarHBondContact O-N 2.87Å; T340-L342 PolarHBondContact O-N 3.21Å |
| 341 | G | 47.1 | Very low | 49.7 | Very low | 63 Ų | 63 | 120.1 Ų | 120.1 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -53 | 131.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | P339 K343 | P339-G341 PolarHBondContact O-N 3.02Å; G341-K343 PolarHBondContact O-N 2.92Å |
| 342 | L | 45.3 | Very low | 50 | Low | 175 Ų | 175 | 118.7 Ų | 118.7 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -53 | 126 | 177.5 | -72 | 172.4 | 0 | 0 | 0 | 108.8 | T340 G344 | T340-L342 PolarHBondContact O-N 3.21Å; L342-G344 PolarHBondContact O-N 2.83Å |
| 343 | K | 53 | Low | 50.1 | Low | 198 Ų | 198 | 118.7 Ų | 118.7 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | trans | -54.6 | 109.5 | 176 | 176.8 | -170.4 | 174.5 | -170.8 | 0 | 107.7 | G341 D345 | G341-K343 PolarHBondContact O-N 2.92Å; K343-D345 PolarHBondContact O-N 2.77Å | ||
| 344 | G | 50.6 | Low | 50.6 | Low | 65 Ų | 65 | 115.9 Ų | 115.9 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | trans | -55.5 | 129.5 | -175 | 0 | 0 | 0 | 0 | 0 | 111.3 | L342 | L342-G344 PolarHBondContact O-N 2.83Š| ||
| 345 | D | 45.1 | Very low | 50.3 | Low | 161 Ų | 161 | 119.6 Ų | 119.6 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | -58.7 | 143.4 | 173.3 | -74.9 | -55.7 | 0 | 0 | 0 | 110.3 | K343 G347 | K343-D345 PolarHBondContact O-N 2.77Å; D345-G347 PolarHBondContact O-N 2.64Å | ||
| 346 | T | 51.6 | Low | 50.3 | Low | 143 Ų | 143 | 119.8 Ų | 119.8 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | -66 | 102.3 | -177.3 | -56 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 347 | G | 49.4 | Very low | 50.3 | Low | 57 Ų | 57 | 124 Ų | 124 | 59% | 0.588 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 136.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D345 | D345-G347 PolarHBondContact O-N 2.64Š|
| 348 | P | 51.3 | Low | 50.1 | Low | 125 Ų | 125 | 127.7 Ų | 127.7 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 141.2 | 180 | 26.2 | -34.3 | 0 | 0 | 0 | 110.4 | G350 | P348-G350 PolarHBondContact O-N 3.45Å; P348-G350 VanDerWaalsContact O-N 3.15Å |
| 349 | S | 53.7 | Low | 50.2 | Low | 126 Ų | 126 | 128.3 Ų | 128.3 | 88% | 0.881 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 119 | -177.1 | -54.2 | 0 | 0 | 0 | 0 | 111.3 | ||
| 350 | G | 52.2 | Low | 49.5 | Very low | 65 Ų | 65 | 130.5 Ų | 130.5 | 67% | 0.67 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 145.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P348 | P348-G350 PolarHBondContact O-N 3.45Å; P348-G350 VanDerWaalsContact O-N 3.15Å |
| 351 | P | 53.6 | Low | 49.6 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 158.4 | 179.5 | 28.4 | -35.2 | 0 | 0 | 0 | 112.2 | G353 | P351-G353 PolarHBondContact O-N 2.7Š|
| 352 | Q | 52 | Low | 49.4 | Very low | 199 Ų | 199 | 134.2 Ų | 134.2 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 123 | -178.4 | -174.1 | 175.8 | 3.3 | 0 | 0 | 111.9 | ||
| 353 | G | 46.8 | Very low | 49.1 | Very low | 61 Ų | 61 | 130.7 Ų | 130.7 | 63% | 0.629 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 140.8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | P351 | P351-G353 PolarHBondContact O-N 2.7Š|
| 354 | P | 49.3 | Very low | 49.3 | Very low | 128 Ų | 128 | 131 Ų | 131 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 155.3 | 174.2 | 29.9 | -34.7 | 0 | 0 | 0 | 112.2 | G356 | P354-G356 PolarHBondContact O-N 3.32Š|
| 355 | K | 52.2 | Low | 48.9 | Very low | 198 Ų | 198 | 130.8 Ų | 130.8 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 129.1 | -178.1 | -172.2 | 176.5 | -179.4 | 179.4 | 0 | 111.1 | ||
| 356 | G | 46.4 | Very low | 48.7 | Very low | 74 Ų | 74 | 133 Ų | 133 | 76% | 0.763 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 140.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | P354 | P354-G356 PolarHBondContact O-N 3.32Š|
| 357 | H | 43.3 | Very low | 48.9 | Very low | 189 Ų | 189 | 135.5 Ų | 135.5 | 88% | 0.875 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 146.8 | 170.8 | -73.4 | -90.1 | 0 | 0 | 0 | 111.4 | G359 | H357-G359 PolarHBondContact O-N 3.26Š|
| 358 | K | 50 | Low | 48.7 | Very low | 211 Ų | 211 | 136.1 Ų | 136.1 | 92% | 0.917 | 82% | 0.822 | S | S | * | * | trans | -95 | 96.1 | -175.3 | -178.7 | -162.5 | 168.8 | -174.3 | 0 | 111.6 | ||||
| 359 | G | 52.7 | Low | 48.6 | Very low | 66 Ų | 66 | 140.1 Ų | 140.1 | 68% | 0.68 | 83% | 0.827 | S | S | * | * | trans | 73.7 | 147.6 | 149.7 | 0 | 0 | 0 | 0 | 0 | 118 | H357 | H357-G359 PolarHBondContact O-N 3.26Š| ||
| 360 | D | 36.7 | Very low | 48.4 | Very low | 176 Ų | 176 | 143.4 Ų | 143.4 | 94% | 0.941 | 83% | 0.828 | S | S | * | * | trans | -142.2 | 151.9 | 150.8 | -100.5 | -45.9 | 0 | 0 | 0 | 108 | ||||
| 361 | Q | 59.6 | Low | 48.2 | Very low | 202 Ų | 202 | 143.3 Ų | 143.3 | 94% | 0.944 | 83% | 0.827 | S | S | * | * | trans | -106.6 | 114.4 | -174.6 | 177.9 | -178.2 | -35.8 | 0 | 0 | 111 | ||||
| 362 | G | 42.9 | Very low | 47.8 | Very low | 74 Ų | 74 | 148 Ų | 148 | 76% | 0.763 | 83% | 0.83 | S | S | * | * | trans | -173.6 | 151.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 363 | A | 38.3 | Very low | 48.3 | Very low | 100 Ų | 100 | 144.7 Ų | 144.7 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | cis | -144.4 | 160.2 | -8.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | G365 | A363-G365 PolarHBondContact O-N 3.48Å; A363-G365 VanDerWaalsContact O-N 3.16Å | ||
| 364 | Q | 57.7 | Low | 48.6 | Very low | 206 Ų | 206 | 145.4 Ų | 145.4 | 96% | 0.963 | 83% | 0.833 | S | S | * | * | trans | -71.3 | 108.7 | 178.4 | -178.9 | 176 | -41.6 | 0 | 0 | 110.3 | ||||
| 365 | G | 43.2 | Very low | 48.7 | Very low | 60 Ų | 60 | 144.3 Ų | 144.3 | 62% | 0.619 | 84% | 0.835 | S | S | * | * | trans | -122.2 | 114 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A363 | A363-G365 PolarHBondContact O-N 3.48Å; A363-G365 VanDerWaalsContact O-N 3.16Å | ||
| 366 | F | 40.3 | Very low | 48.9 | Very low | 208 Ų | 208 | 139.8 Ų | 139.8 | 91% | 0.912 | 84% | 0.835 | S | S | * | * | trans | 35.9 | 128.2 | 155.5 | -59.3 | -79.3 | 0 | 0 | 0 | 121.3 | G368 | F366-G368 PolarHBondContact O-N 3.24Š| ||
| 367 | Q | 54.5 | Low | 49.4 | Very low | 195 Ų | 195 | 139.6 Ų | 139.6 | 91% | 0.911 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 116.1 | 171.8 | -177.9 | 175.9 | -4.9 | 0 | 0 | 111.8 | ||
| 368 | G | 46.6 | Very low | 50.1 | Low | 69 Ų | 69 | 136.2 Ų | 136.2 | 71% | 0.711 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 151.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F366 | F366-G368 PolarHBondContact O-N 3.24Š|
| 369 | K | 47.8 | Very low | 50.6 | Low | 210 Ų | 210 | 132.3 Ų | 132.3 | 91% | 0.913 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 157.9 | 179 | -61.8 | -178.5 | 180 | -177.4 | 0 | 111.8 | G371 | K369-G371 PolarHBondContact O-N 2.92Š|
| 370 | Q | 51.2 | Low | 50.8 | Low | 195 Ų | 195 | 132.6 Ų | 132.6 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 131 | 178.2 | -178.6 | 174.8 | -11.5 | 0 | 0 | 112 | ||
| 371 | G | 46.8 | Very low | 51.6 | Low | 63 Ų | 63 | 130.3 Ų | 130.3 | 65% | 0.649 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 157.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | K369 | K369-G371 PolarHBondContact O-N 2.92Š|
| 372 | Y | 44.8 | Very low | 51.2 | Low | 224 Ų | 224 | 132.7 Ų | 132.7 | 88% | 0.878 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 159.6 | 176.1 | -64.9 | -90.1 | 0 | 0 | 0 | 113 | ||
| 373 | P | 63 | Low | 51.5 | Low | 129 Ų | 129 | 132.7 Ų | 132.7 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 139.8 | 168.3 | -26.3 | 35.7 | 0 | 0 | 0 | 112.7 | ||
| 374 | G | 54 | Low | 51.8 | Low | 77 Ų | 77 | 132.9 Ų | 132.9 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 151.8 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 375 | A | 50.3 | Low | 51.2 | Low | 105 Ų | 105 | 130 Ų | 130 | 87% | 0.868 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 160.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 376 | A | 57.4 | Low | 51.4 | Low | 103 Ų | 103 | 130.2 Ų | 130.2 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 138.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 377 | G | 56.3 | Low | 51.8 | Low | 69 Ų | 69 | 126.6 Ų | 126.6 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 143.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 378 | P | 57.3 | Low | 51.3 | Low | 118 Ų | 118 | 122.3 Ų | 122.3 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 155.3 | 179.3 | 29.9 | -35.6 | 0 | 0 | 0 | 112.3 | ||
| 379 | P | 61.8 | Low | 51.9 | Low | 130 Ų | 130 | 122.7 Ų | 122.7 | 84% | 0.844 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 140.3 | 173.9 | -25.4 | 35.2 | 0 | 0 | 0 | 113 | ||
| 380 | G | 57.3 | Low | 51.6 | Low | 71 Ų | 71 | 119.9 Ų | 119.9 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 141.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 381 | P | 53.5 | Low | 51.2 | Low | 128 Ų | 128 | 120.1 Ų | 120.1 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 152.2 | -177.9 | 29.5 | -35.3 | 0 | 0 | 0 | 113.1 | G383 | P381-G383 PolarHBondContact O-N 2.83Š|
| 382 | R | 49.7 | Very low | 51.1 | Low | 252 Ų | 252 | 120.2 Ų | 120.2 | 95% | 0.951 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 128.7 | 175.3 | -173 | 176 | -176.3 | 166.2 | 0.6 | 110.3 | ||
| 383 | G | 50.1 | Low | 51.1 | Low | 75 Ų | 75 | 117.1 Ų | 117.1 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 142.9 | -174 | 0 | 0 | 0 | 0 | 0 | 114.5 | P381 | P381-G383 PolarHBondContact O-N 2.83Š|
| 384 | A | 44.3 | Very low | 49.9 | Very low | 103 Ų | 103 | 118.1 Ų | 118.1 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 151.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 385 | T | 46.1 | Very low | 49.4 | Very low | 146 Ų | 146 | 117.8 Ų | 117.8 | 90% | 0.896 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 133.5 | 176 | -49.7 | 0 | 0 | 0 | 0 | 111 | ||
| 386 | G | 47.4 | Very low | 49.5 | Very low | 65 Ų | 65 | 117.8 Ų | 117.8 | 67% | 0.67 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 145.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 387 | P | 48.7 | Very low | 49.1 | Very low | 131 Ų | 131 | 119 Ų | 119 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 159.1 | 169 | 33.6 | -34.7 | 0 | 0 | 0 | 111.8 | ||
| 388 | A | 43.6 | Very low | 48.5 | Very low | 106 Ų | 106 | 119.6 Ų | 119.6 | 88% | 0.876 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 154.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 389 | G | 58 | Low | 48 | Very low | 76 Ų | 76 | 120.6 Ų | 120.6 | 78% | 0.784 | 82% | 0.823 | S | S | * | * | trans | -127.8 | 176.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 390 | D | 41.4 | Very low | 47.4 | Very low | 151 Ų | 151 | 120.8 Ų | 120.8 | 81% | 0.807 | 82% | 0.824 | S | S | * | * | trans | -152.4 | 174.3 | 176.2 | -136 | -39.1 | 0 | 0 | 0 | 113.2 | ||||
| 391 | K | 43.3 | Very low | 46.7 | Very low | 200 Ų | 200 | 120.5 Ų | 120.5 | 87% | 0.87 | 82% | 0.822 | S | S | * | * | trans | -52.3 | 163.6 | -170.9 | -75.9 | 158 | 177.3 | 161.9 | 0 | 117.3 | ||||
| 392 | G | 44.1 | Very low | 46.5 | Very low | 66 Ų | 66 | 119.1 Ų | 119.1 | 68% | 0.68 | 82% | 0.821 | S | S | * | * | cis | -169.4 | -153.9 | 13.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 393 | N | 44.6 | Very low | 47 | Very low | 158 Ų | 158 | 113 Ų | 113 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | -109.5 | 171.7 | -148.1 | -62.8 | -22.1 | 0 | 0 | 0 | 117.7 | ||||
| 394 | V | 39 | Very low | 47.2 | Very low | 151 Ų | 151 | 112.6 Ų | 112.6 | 92% | 0.915 | 81% | 0.81 | S | S | * | * | trans | 87.1 | 133.4 | 162.2 | -169.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 395 | G | 42.9 | Very low | 47.6 | Very low | 69 Ų | 69 | 115.5 Ų | 115.5 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | cis | -159 | 177.6 | 4.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 396 | A | 52.5 | Low | 48.2 | Very low | 105 Ų | 105 | 114.1 Ų | 114.1 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | trans | -117.5 | 142.2 | -162.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 397 | P | 48.8 | Very low | 48.5 | Very low | 130 Ų | 130 | 114 Ų | 114 | 84% | 0.844 | 80% | 0.801 | S | S | * | * | trans | -118.7 | 130.9 | 160.3 | 17.1 | 3.9 | 0 | 0 | 0 | 113.6 | ||||
| 398 | G | 43.6 | Very low | 49 | Very low | 81 Ų | 81 | 113.8 Ų | 113.8 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | 76.6 | 83.9 | 144.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 399 | T | 47.9 | Very low | 49.5 | Very low | 138 Ų | 138 | 113.6 Ų | 113.6 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | trans | -72.1 | 149.3 | 137.6 | 52.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 400 | P | 47.7 | Very low | 49.1 | Very low | 134 Ų | 134 | 113.1 Ų | 113.1 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | cis | -145.1 | 171 | 44.2 | 41.2 | -22.2 | 0 | 0 | 0 | 117.4 | ||||
| 401 | G | 43.8 | Very low | 49.6 | Very low | 66 Ų | 66 | 111.1 Ų | 111.1 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | trans | 160.6 | 90.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | P403 | G401-P403 WeakPolarHBondContact O-CD 3.33Š| ||
| 402 | A | 48.8 | Very low | 50.2 | Low | 99 Ų | 99 | 110.9 Ų | 110.9 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 122.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | G404 | A402-G404 PolarHBondContact O-N 3.07Š|
| 403 | P | 59.5 | Low | 50.3 | Low | 122 Ų | 122 | 111.2 Ų | 111.2 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -58 | 137.4 | 167.2 | -21.7 | 34 | 0 | 0 | 0 | 109.3 | G401 | G401-P403 WeakPolarHBondContact O-CD 3.33Š|
| 404 | G | 54.2 | Low | 50.4 | Low | 68 Ų | 68 | 111.6 Ų | 111.6 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 142.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | A402 P406 | A402-G404 PolarHBondContact O-N 3.07Å; G404-P406 WeakPolarHBondContact O-CD 3.35Å; G404-P406 VanDerWaalsContact O-N 3.15Å |
| 405 | I | 53.1 | Low | 51 | Low | 163 Ų | 163 | 111 Ų | 111 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 122.8 | -179.7 | -45.8 | 173 | 0 | 0 | 0 | 108.5 | G407 | I405-G407 PolarHBondContact O-N 2.89Å; I405-G407 VanDerWaalsContact O-N 3.12Å |
| 406 | P | 58.5 | Low | 51.2 | Low | 117 Ų | 117 | 110.9 Ų | 110.9 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 123.8 | 172.4 | -26.3 | 35.1 | 0 | 0 | 0 | 108.9 | G404 | G404-P406 WeakPolarHBondContact O-CD 3.35Å; G404-P406 VanDerWaalsContact O-N 3.15Å |
| 407 | G | 55.1 | Low | 50.9 | Low | 62 Ų | 62 | 116.3 Ų | 116.3 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 139.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | I405 A409 | I405-G407 PolarHBondContact O-N 2.89Å; I405-G407 VanDerWaalsContact O-N 3.12Å; G407-A409 PolarHBondContact O-N 2.75Å |
| 408 | P | 58.3 | Low | 51.3 | Low | 128 Ų | 128 | 115.9 Ų | 115.9 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 137.4 | -177.6 | 23.4 | -33.9 | 0 | 0 | 0 | 109.7 | G410 | P408-G410 PolarHBondContact O-N 3.02Å; P408-G410 VanDerWaalsContact O-N 3.13Å |
| 409 | A | 54.8 | Low | 51.6 | Low | 101 Ų | 101 | 115.4 Ų | 115.4 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -47.8 | 122.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | G407 | G407-A409 PolarHBondContact O-N 2.75Š|
| 410 | G | 48 | Very low | 51.7 | Low | 66 Ų | 66 | 116.8 Ų | 116.8 | 68% | 0.68 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -52 | 130.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | P408 K412 | P408-G410 PolarHBondContact O-N 3.02Å; P408-G410 VanDerWaalsContact O-N 3.13Å; G410-K412 PolarHBondContact O-N 3.28Å |
| 411 | P | 53.3 | Low | 52.2 | Low | 110 Ų | 110 | 116.5 Ų | 116.5 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 135.4 | -175.5 | 23.2 | -33.3 | 0 | 0 | 0 | 109.9 | G413 | P411-G413 PolarHBondContact O-N 2.93Š|
| 412 | K | 54.8 | Low | 52.5 | Low | 194 Ų | 194 | 116.9 Ų | 116.9 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | trans | -43 | 116.3 | 177.3 | 177.5 | -175.8 | 178.4 | -177.3 | 0 | 109.4 | G410 H414 | G410-K412 PolarHBondContact O-N 3.28Å; K412-H414 PolarHBondContact O-CD2 3.37Å; K412-H414 PolarHBondContact O-N 2.84Å; K412-H414 VanDerWaalsContact O-N 3.1Å | ||
| 413 | G | 47.3 | Very low | 52.2 | Low | 73 Ų | 73 | 117 Ų | 117 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -46.6 | 118.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P411 | P411-G413 PolarHBondContact O-N 2.93Š|
| 414 | H | 45.7 | Very low | 51.6 | Low | 166 Ų | 166 | 116.9 Ų | 116.9 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 147.3 | 178.5 | -65.2 | 175.5 | 0 | 0 | 0 | 109.7 | K412 G416 | K412-H414 PolarHBondContact O-CD2 3.37Å; K412-H414 PolarHBondContact O-N 2.84Å; K412-H414 VanDerWaalsContact O-N 3.1Å; H414-G416 PolarHBondContact O-N 2.88Å |
| 415 | T | 52.2 | Low | 51.2 | Low | 139 Ų | 139 | 116.6 Ų | 116.6 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 129 | 166.6 | -43.7 | 0 | 0 | 0 | 0 | 108.7 | R417 | T415-R417 PolarHBondContact O-N 2.86Š|
| 416 | G | 46.9 | Very low | 50.7 | Low | 67 Ų | 67 | 114.3 Ų | 114.3 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 134.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | H414 | H414-G416 PolarHBondContact O-N 2.88Š|
| 417 | R | 46.5 | Very low | 50.3 | Low | 219 Ų | 219 | 116.5 Ų | 116.5 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 142.4 | 171 | -72.9 | -178.6 | 172.9 | -177.2 | -2.2 | 108.5 | T415 G419 | T415-R417 PolarHBondContact O-N 2.86Å; R417-G419 PolarHBondContact O-N 3.44Å |
| 418 | P | 57.8 | Low | 49.8 | Very low | 120 Ų | 120 | 116.9 Ų | 116.9 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 140.8 | 157.2 | -22.8 | 33.8 | 0 | 0 | 0 | 109.2 | ||
| 419 | G | 49.9 | Very low | 49.1 | Very low | 71 Ų | 71 | 115.9 Ų | 115.9 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 142 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | R417 | R417-G419 PolarHBondContact O-N 3.44Š|
| 420 | E | 48.9 | Very low | 49.3 | Very low | 168 Ų | 168 | 117.1 Ų | 117.1 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 137.4 | 175.6 | -63.3 | 179.6 | 154.1 | 0 | 0 | 109 | G422 | E420-G422 PolarHBondContact O-N 2.98Å; E420-G422 VanDerWaalsContact O-N 3.16Å |
| 421 | P | 58.8 | Low | 49.5 | Very low | 128 Ų | 128 | 116.9 Ų | 116.9 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -53 | 125.6 | 170.2 | -24.3 | 34 | 0 | 0 | 0 | 108.7 | A423 | P421-A423 PolarHBondContact O-N 3.36Š|
| 422 | G | 49.4 | Very low | 49.4 | Very low | 73 Ų | 73 | 117.9 Ų | 117.9 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 133.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | E420 S424 | E420-G422 PolarHBondContact O-N 2.98Å; E420-G422 VanDerWaalsContact O-N 3.16Å; G422-S424 PolarHBondContact O-N 2.9Å |
| 423 | A | 43.7 | Very low | 49.3 | Very low | 101 Ų | 101 | 120 Ų | 120 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 128.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | P421 G425 | P421-A423 PolarHBondContact O-N 3.36Å; A423-G425 PolarHBondContact O-N 3.2Å; A423-G425 VanDerWaalsContact O-N 3.14Å |
| 424 | S | 46.9 | Very low | 49.7 | Very low | 121 Ų | 121 | 118.9 Ų | 118.9 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 126.1 | 177 | -172.8 | 0 | 0 | 0 | 0 | 108.2 | G422 S426 | G422-S424 PolarHBondContact O-N 2.9Å; S424-S426 PolarHBondContact O-N 3.04Å |
| 425 | G | 44.8 | Very low | 49.9 | Very low | 61 Ų | 61 | 117.3 Ų | 117.3 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 131.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | A423 D427 | A423-G425 PolarHBondContact O-N 3.2Å; A423-G425 VanDerWaalsContact O-N 3.14Å; G425-D427 PolarHBondContact O-N 3.25Å |
| 426 | S | 43.3 | Very low | 50.1 | Low | 115 Ų | 115 | 115.1 Ų | 115.1 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 127.8 | 172.9 | 52.5 | 0 | 0 | 0 | 0 | 108.8 | S424 G428 | S424-S426 PolarHBondContact O-N 3.04Å; S426-G428 PolarHBondContact O-N 3.47Å; S426-G428 VanDerWaalsContact O-N 3.11Å |
| 427 | D | 49.8 | Very low | 50.2 | Low | 164 Ų | 164 | 115 Ų | 115 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 122.4 | 176.5 | -79.6 | -45.3 | 0 | 0 | 0 | 109.7 | G425 S429 | G425-D427 PolarHBondContact O-N 3.25Å; D427-S429 PolarHBondContact O-N 2.83Å; D427-S429 VanDerWaalsContact O-N 3.11Å |
| 428 | G | 43.6 | Very low | 50.4 | Low | 69 Ų | 69 | 110.8 Ų | 110.8 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 120.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | S426 P430 | S426-G428 PolarHBondContact O-N 3.47Å; S426-G428 VanDerWaalsContact O-N 3.11Å; G428-P430 WeakPolarHBondContact O-CD 3.06Å; G428-P430 VanDerWaalsContact O-N 3.13Å |
| 429 | S | 45.2 | Very low | 50.4 | Low | 108 Ų | 108 | 114.3 Ų | 114.3 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 121.9 | 175.6 | 53 | 0 | 0 | 0 | 0 | 109.1 | D427 G431 | D427-S429 PolarHBondContact O-N 2.83Å; D427-S429 VanDerWaalsContact O-N 3.11Å; S429-G431 PolarHBondContact O-N 2.85Å |
| 430 | P | 58.1 | Low | 50.7 | Low | 127 Ų | 127 | 113.6 Ų | 113.6 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 119.2 | -176.2 | -29.9 | 36 | 0 | 0 | 0 | 110.7 | G428 | G428-P430 WeakPolarHBondContact O-CD 3.06Å; G428-P430 VanDerWaalsContact O-N 3.13Å |
| 431 | G | 52.3 | Low | 51 | Low | 60 Ų | 60 | 112 Ų | 112 | 62% | 0.619 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 141.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111 | S429 R433 | S429-G431 PolarHBondContact O-N 2.85Å; G431-R433 PolarHBondContact O-N 3.28Å; G431-R433 VanDerWaalsContact O-N 3.12Å |
| 432 | P | 51.1 | Low | 51.1 | Low | 132 Ų | 132 | 110.7 Ų | 110.7 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 123.6 | -176.7 | 22.7 | -33.3 | 0 | 0 | 0 | 109.7 | G434 | P432-G434 PolarHBondContact O-N 3.1Š|
| 433 | R | 53.5 | Low | 51.3 | Low | 238 Ų | 238 | 110.7 Ų | 110.7 | 90% | 0.898 | 77% | 0.774 | S | S | * | * | trans | -51.4 | 112.6 | -177 | 177.1 | -179.4 | 177 | 178.5 | 0.3 | 109.6 | G431 | G431-R433 PolarHBondContact O-N 3.28Å; G431-R433 VanDerWaalsContact O-N 3.12Å | ||
| 434 | G | 54.8 | Low | 51.6 | Low | 50 Ų | 50 | 110.8 Ų | 110.8 | 52% | 0.515 | 78% | 0.775 | S | S | . | * | P | Polyproline II helix | trans | -55 | 148.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P432 A436 | P432-G434 PolarHBondContact O-N 3.1Å; G434-A436 PolarHBondContact O-N 2.88Å |
| 435 | P | 50.5 | Low | 52.1 | Low | 133 Ų | 133 | 111.9 Ų | 111.9 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 140.6 | 178.5 | 25 | -34.1 | 0 | 0 | 0 | 110.2 | G437 | P435-G437 PolarHBondContact O-N 2.84Š|
| 436 | A | 55.4 | Low | 52.3 | Low | 93 Ų | 93 | 112.2 Ų | 112.2 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 122.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | G434 | G434-A436 PolarHBondContact O-N 2.88Š|
| 437 | G | 49.2 | Very low | 52.3 | Low | 64 Ų | 64 | 112.3 Ų | 112.3 | 66% | 0.66 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 151.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P435 | P435-G437 PolarHBondContact O-N 2.84Š|
| 438 | P | 50.7 | Low | 52.6 | Low | 130 Ų | 130 | 114.4 Ų | 114.4 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 157.8 | -174.1 | 25.6 | -34.6 | 0 | 0 | 0 | 113.1 | G440 | P438-G440 PolarHBondContact O-N 3.16Š|
| 439 | Q | 58.3 | Low | 52.8 | Low | 195 Ų | 195 | 114 Ų | 114 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 129.5 | -178.5 | -177.6 | 175.1 | -7.9 | 0 | 0 | 112.2 | ||
| 440 | G | 55.6 | Low | 52.8 | Low | 56 Ų | 56 | 117.8 Ų | 117.8 | 58% | 0.577 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 153 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | P438 | P438-G440 PolarHBondContact O-N 3.16Š|
| 441 | P | 55.8 | Low | 52.9 | Low | 134 Ų | 134 | 117.7 Ų | 117.7 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 156.5 | 177.2 | 27.5 | -34.9 | 0 | 0 | 0 | 112.2 | ||
| 442 | A | 60.1 | Low | 52.8 | Low | 100 Ų | 100 | 118 Ų | 118 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 149.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 443 | G | 53.8 | Low | 52.6 | Low | 74 Ų | 74 | 119.9 Ų | 119.9 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 154.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 444 | A | 50.4 | Low | 53 | Low | 103 Ų | 103 | 114.4 Ų | 114.4 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 139.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113 | G446 | A444-G446 PolarHBondContact O-N 3.25Š|
| 445 | T | 58.1 | Low | 53.2 | Low | 144 Ų | 144 | 115.1 Ų | 115.1 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 132.6 | 177.3 | -48.4 | 0 | 0 | 0 | 0 | 111.1 | ||
| 446 | G | 49.1 | Very low | 53.5 | Low | 67 Ų | 67 | 114.7 Ų | 114.7 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 146 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A444 K448 | A444-G446 PolarHBondContact O-N 3.25Å; G446-K448 PolarHBondContact O-N 2.9Å |
| 447 | S | 43.4 | Very low | 53.9 | Low | 117 Ų | 117 | 116.5 Ų | 116.5 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 124 | -179.8 | 53.1 | 0 | 0 | 0 | 0 | 112.1 | G449 | S447-G449 PolarHBondContact O-N 3.17Š|
| 448 | K | 55.3 | Low | 54.2 | Low | 208 Ų | 208 | 116.6 Ų | 116.6 | 90% | 0.904 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 121.7 | 170.3 | -174.2 | 174.7 | -178.1 | 177.9 | 0 | 109.1 | G446 | G446-K448 PolarHBondContact O-N 2.9Š|
| 449 | G | 48.9 | Very low | 54.1 | Low | 62 Ų | 62 | 116.8 Ų | 116.8 | 64% | 0.639 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 147.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S447 | S447-G449 PolarHBondContact O-N 3.17Š|
| 450 | H | 43.3 | Very low | 53.5 | Low | 187 Ų | 187 | 112.3 Ų | 112.3 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 134 | 177.9 | -60.7 | -73.6 | 0 | 0 | 0 | 111.3 | G452 | H450-G452 PolarHBondContact O-N 3.18Š|
| 451 | P | 61.6 | Low | 53 | Low | 124 Ų | 124 | 113.4 Ų | 113.4 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 137.2 | 159.1 | -23.2 | 34.6 | 0 | 0 | 0 | 109.9 | ||
| 452 | G | 49.7 | Very low | 52.2 | Low | 68 Ų | 68 | 115.3 Ų | 115.3 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -63 | 150 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | H450 P454 | H450-G452 PolarHBondContact O-N 3.18Å; G452-P454 WeakPolarHBondContact O-CD 3.41Å |
| 453 | L | 47.9 | Very low | 51.2 | Low | 171 Ų | 171 | 115.1 Ų | 115.1 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 128.7 | 173.9 | -68.2 | 170 | 0 | 0 | 0 | 110.4 | ||
| 454 | P | 61.8 | Low | 50.7 | Low | 123 Ų | 123 | 116 Ų | 116 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -55 | 143.9 | 163.2 | -24.9 | 35.6 | 0 | 0 | 0 | 110.8 | G452 | G452-P454 WeakPolarHBondContact O-CD 3.41Š|
| 455 | G | 57.8 | Low | 50.7 | Low | 64 Ų | 64 | 121.3 Ų | 121.3 | 66% | 0.66 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 162.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 456 | P | 56.8 | Low | 50.1 | Low | 125 Ų | 125 | 117.9 Ų | 117.9 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 145.4 | 179.7 | 26.5 | -34.9 | 0 | 0 | 0 | 111.5 | G458 | P456-G458 PolarHBondContact O-N 3.1Š|
| 457 | P | 63.8 | Low | 50 | Low | 131 Ų | 131 | 121.7 Ų | 121.7 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 138.2 | 177.6 | -26.2 | 34.9 | 0 | 0 | 0 | 112.9 | ||
| 458 | G | 55.2 | Low | 50.2 | Low | 66 Ų | 66 | 121.5 Ų | 121.5 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 151 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | P456 | P456-G458 PolarHBondContact O-N 3.1Š|
| 459 | P | 49.6 | Very low | 50.4 | Low | 134 Ų | 134 | 114.4 Ų | 114.4 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 144.4 | -176.9 | 26.6 | -34.7 | 0 | 0 | 0 | 112.2 | G461 | P459-G461 PolarHBondContact O-N 3.09Š|
| 460 | A | 46 | Very low | 50.8 | Low | 100 Ų | 100 | 117.8 Ų | 117.8 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | -68.9 | 113.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L462 | A460-L462 PolarHBondContact O-N 3.12Š| ||
| 461 | G | 44.3 | Very low | 51.4 | Low | 80 Ų | 80 | 117.7 Ų | 117.7 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -78 | 112.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | P459 | P459-G461 PolarHBondContact O-N 3.09Š| ||
| 462 | L | 40 | Very low | 51.3 | Low | 173 Ų | 173 | 114.8 Ų | 114.8 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | trans | -79.8 | 115.4 | 173.8 | -73 | 161.1 | 0 | 0 | 0 | 111 | A460 | A460-L462 PolarHBondContact O-N 3.12Š| ||
| 463 | A | 39.3 | Very low | 51.4 | Low | 96 Ų | 96 | 116 Ų | 116 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | trans | 168.3 | 146.8 | 130.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 464 | A | 42.2 | Very low | 52 | Low | 93 Ų | 93 | 113.4 Ų | 113.4 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | 55.4 | 86.1 | 142.7 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 465 | K | 49.8 | Very low | 51.8 | Low | 214 Ų | 214 | 111 Ų | 111 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | 60.2 | 88.8 | 114.3 | -165.6 | -173.6 | -175.6 | -177.4 | 0 | 118.4 | |||||
| 466 | G | 46.4 | Very low | 51.5 | Low | 72 Ų | 72 | 116.8 Ų | 116.8 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | -138.1 | 138.7 | 151.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 467 | V | 47.8 | Very low | 51.7 | Low | 147 Ų | 147 | 116.6 Ų | 116.6 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | trans | -94.2 | 113.9 | 178.1 | -177 | 0 | 0 | 0 | 0 | 108.8 | G469 | V467-G469 PolarHBondContact O-N 3.41Š| ||
| 468 | S | 46.4 | Very low | 51.5 | Low | 114 Ų | 114 | 113.8 Ų | 113.8 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 131.2 | 171 | -52.4 | 0 | 0 | 0 | 0 | 110.1 | ||
| 469 | G | 60.4 | Low | 51.6 | Low | 58 Ų | 58 | 119.6 Ų | 119.6 | 60% | 0.598 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 158.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V467 Q471 | V467-G469 PolarHBondContact O-N 3.41Å; G469-Q471 PolarHBondContact O-N 2.97Å |
| 470 | P | 56.4 | Low | 52.2 | Low | 133 Ų | 133 | 119.2 Ų | 119.2 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 126.3 | 177.8 | 25.8 | -33.7 | 0 | 0 | 0 | 110.2 | G472 | P470-G472 PolarHBondContact O-N 2.94Š|
| 471 | Q | 56.3 | Low | 52.9 | Low | 186 Ų | 186 | 117.7 Ų | 117.7 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 127.7 | 176 | -179.2 | 175.9 | -20.2 | 0 | 0 | 109.4 | G469 | G469-Q471 PolarHBondContact O-N 2.97Š|
| 472 | G | 59.2 | Low | 53.5 | Low | 62 Ų | 62 | 118.7 Ų | 118.7 | 64% | 0.639 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 145.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | P470 | P470-G472 PolarHBondContact O-N 2.94Š|
| 473 | A | 51.7 | Low | 54.6 | Low | 93 Ų | 93 | 116.2 Ų | 116.2 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 141.5 | 177 | 0 | 0 | 0 | 0 | 0 | 110.4 | G475 | A473-G475 PolarHBondContact O-N 2.89Š|
| 474 | P | 61.8 | Low | 55.5 | Low | 117 Ų | 117 | 114.8 Ų | 114.8 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 137.6 | 173 | -25.4 | 34.6 | 0 | 0 | 0 | 110.9 | Q476 | P474-Q476 PolarHBondContact O-N 2.95Š|
| 475 | G | 57.4 | Low | 56.3 | Low | 73 Ų | 73 | 119.2 Ų | 119.2 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 139.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | A473 | A473-G475 PolarHBondContact O-N 2.89Š|
| 476 | Q | 51.1 | Low | 56.9 | Low | 185 Ų | 185 | 114 Ų | 114 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 142.1 | 174.1 | -70.2 | -178 | -12.5 | 0 | 0 | 109.3 | P474 G478 | P474-Q476 PolarHBondContact O-N 2.95Å; Q476-G478 PolarHBondContact O-N 2.85Å |
| 477 | P | 61 | Low | 57.6 | Low | 122 Ų | 122 | 113.6 Ų | 113.6 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 137.2 | 169 | -23.9 | 34.1 | 0 | 0 | 0 | 109.9 | ||
| 478 | G | 59.8 | Low | 58.3 | Low | 72 Ų | 72 | 112.8 Ų | 112.8 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 145.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q476 | Q476-G478 PolarHBondContact O-N 2.85Š|
| 479 | E | 56.9 | Low | 59.1 | Low | 187 Ų | 187 | 110.8 Ų | 110.8 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 143.6 | 177.6 | -63.4 | -172.5 | 128.6 | 0 | 0 | 110.4 | G481 | E479-G481 PolarHBondContact O-N 3.24Š|
| 480 | P | 62.2 | Low | 59.2 | Low | 126 Ų | 126 | 110 Ų | 110 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 134.2 | 172.5 | -25.3 | 34.7 | 0 | 0 | 0 | 110.6 | A482 | P480-A482 PolarHBondContact O-N 2.94Š|
| 481 | G | 60.9 | Low | 59.3 | Low | 69 Ų | 69 | 109.4 Ų | 109.4 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 135.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | E479 D483 | E479-G481 PolarHBondContact O-N 3.24Å; G481-D483 PolarHBondContact O-N 3.41Å |
| 482 | A | 56.4 | Low | 59.5 | Low | 101 Ų | 101 | 104.2 Ų | 104.2 | 84% | 0.835 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 138 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | P480 | P480-A482 PolarHBondContact O-N 2.94Š|
| 483 | D | 63.9 | Low | 59.4 | Low | 120 Ų | 120 | 103.2 Ų | 103.2 | 64% | 0.642 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 140.9 | 177.2 | -60.7 | -67.9 | 0 | 0 | 0 | 110.4 | Q56 G481 | Q56-D483 PolarHBondContact NE2-OD1 3.31Å; G481-D483 PolarHBondContact O-N 3.41Å |
| 484 | G | 57.5 | Low | 59.7 | Low | 66 Ų | 66 | 104.6 Ų | 104.6 | 68% | 0.68 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 138.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 485 | E | 58.9 | Low | 59.3 | Low | 187 Ų | 187 | 102.7 Ų | 102.7 | 87% | 0.874 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 136.3 | 179.5 | -66.6 | -165.1 | 137.2 | 0 | 0 | 111.3 | G487 | E485-G487 PolarHBondContact O-N 2.99Š|
| 486 | P | 62.5 | Low | 59 | Low | 105 Ų | 105 | 101.4 Ų | 101.4 | 68% | 0.682 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 135.6 | 177.7 | -29.6 | 36.1 | 0 | 0 | 0 | 112.3 | ||
| 487 | G | 60.9 | Low | 58.9 | Low | 63 Ų | 63 | 98.5 Ų | 98.5 | 65% | 0.649 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 143.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | E485 A489 | E485-G487 PolarHBondContact O-N 2.99Å; G487-A489 PolarHBondContact O-N 3.48Å |
| 488 | P | 61.8 | Low | 58.1 | Low | 130 Ų | 130 | 96.3 Ų | 96.3 | 84% | 0.844 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 138.2 | -178.9 | 25 | -34.4 | 0 | 0 | 0 | 110.7 | G490 | P488-G490 PolarHBondContact O-N 3.39Š|
| 489 | A | 63.9 | Low | 57.5 | Low | 72 Ų | 72 | 95.8 Ų | 95.8 | 60% | 0.595 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 140 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | G487 | G487-A489 PolarHBondContact O-N 3.48Š|
| 490 | G | 61.5 | Low | 56.7 | Low | 42 Ų | 42 | 94.5 Ų | 94.5 | 43% | 0.433 | 66% | 0.662 | S | S | . | * | P | Polyproline II helix | trans | -59.5 | 147.6 | -180 | 0 | 0 | 0 | 0 | 0 | 111.7 | P488 | P488-G490 PolarHBondContact O-N 3.39Š|
| 491 | P | 59.8 | Low | 55.7 | Low | 120 Ų | 120 | 93.2 Ų | 93.2 | 78% | 0.779 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 142.5 | 174.9 | 26.2 | -34.1 | 0 | 0 | 0 | 109.9 | ||
| 492 | P | 60.4 | Low | 54.4 | Low | 77 Ų | 77 | 95.3 Ų | 95.3 | 50% | 0.5 | 65% | 0.651 | S | S | . | * | P | Polyproline II helix | trans | -52.2 | 142.5 | 175.8 | -27.2 | 35.1 | 0 | 0 | 0 | 111.8 | P47 | P47-P492 HydrophobicContact CG-CG 4.46Š|
| 493 | G | 57.2 | Low | 53.3 | Low | 41 Ų | 41 | 99.5 Ų | 99.5 | 42% | 0.423 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 147.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 494 | P | 57.1 | Low | 51.9 | Low | 121 Ų | 121 | 102.5 Ų | 102.5 | 79% | 0.786 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 140.9 | 175.8 | 25.6 | -34.1 | 0 | 0 | 0 | 110 | G496 | P494-G496 PolarHBondContact O-N 2.96Š|
| 495 | P | 54.1 | Low | 50.9 | Low | 77 Ų | 77 | 109.5 Ų | 109.5 | 50% | 0.5 | 67% | 0.672 | S | S | . | * | P | Polyproline II helix | trans | -52.8 | 140.1 | 177.8 | -25.7 | 33.4 | 0 | 0 | 0 | 111.6 | P44 | P44-P495 HydrophobicContact CB-CG 4.35Å; P44-P495 HydrophobicContact CG-CG 4.34Å |
| 496 | G | 50.8 | Low | 49.8 | Very low | 47 Ų | 47 | 103.8 Ų | 103.8 | 49% | 0.485 | 66% | 0.663 | S | S | . | * | P | Polyproline II helix | trans | -59.7 | 152.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | P494 | P494-G496 PolarHBondContact O-N 2.96Š|
| 497 | P | 50 | Low | 48.5 | Very low | 124 Ų | 124 | 108.1 Ų | 108.1 | 81% | 0.805 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 139.3 | 175.9 | 25.3 | -34 | 0 | 0 | 0 | 110.4 | G499 | P497-G499 PolarHBondContact O-N 2.82Š|
| 498 | P | 44.1 | Very low | 47.4 | Very low | 75 Ų | 75 | 108.7 Ų | 108.7 | 49% | 0.487 | 68% | 0.682 | S | S | . | * | P | Polyproline II helix | trans | -51.2 | 124.5 | -179.2 | -32 | 37.9 | 0 | 0 | 0 | 113.6 | V40 | V40-P498 WeakPolarHBondContact O-CB 3.27Š|
| 499 | G | 46.9 | Very low | 46.5 | Very low | 61 Ų | 61 | 111.8 Ų | 111.8 | 63% | 0.629 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 136.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | P497 V501 | P497-G499 PolarHBondContact O-N 2.82Å; G499-V501 PolarHBondContact O-N 2.9Å |
| 500 | E | 40.8 | Very low | 45.2 | Very low | 161 Ų | 161 | 113 Ų | 113 | 75% | 0.752 | 70% | 0.695 | S | S | * | * | trans | -72.3 | 95.9 | 173.8 | -73.3 | -165.4 | 115.4 | 0 | 0 | 111.3 | V502 | E500-V502 PolarHBondContact O-N 3.14Š| ||
| 501 | V | 39.7 | Very low | 43.9 | Very low | 98 Ų | 98 | 119.8 Ų | 119.8 | 59% | 0.594 | 72% | 0.715 | S | S | * | * | trans | -87.9 | 98.1 | 171.4 | -76.1 | 0 | 0 | 0 | 0 | 111.1 | G499 F503 | G499-V501 PolarHBondContact O-N 2.9Å; V501-F503 HydrophobicContact CB-CE2 4.33Å; V501-F503 HydrophobicContact CG2-CD2 4.5Å; V501-F503 HydrophobicContact CG2-CE2 4.13Å; V501-F503 PolarHBondContact O-N 2.9Å | ||
| 502 | V | 35.3 | Very low | 43.1 | Very low | 114 Ų | 114 | 120.6 Ų | 120.6 | 69% | 0.691 | 72% | 0.718 | S | S | * | * | trans | -77.7 | 103.7 | 174.3 | -178.6 | 0 | 0 | 0 | 0 | 109.9 | E500 E504 | E500-V502 PolarHBondContact O-N 3.14Å; V502-E504 PolarHBondContact O-N 3.28Å | ||
| 503 | F | 32.6 | Very low | 42.1 | Very low | 188 Ų | 188 | 124 Ų | 124 | 83% | 0.825 | 73% | 0.729 | S | S | * | * | trans | -79.7 | 107 | 174.1 | -85.9 | -89.2 | 0 | 0 | 0 | 111.9 | V501 | V501-F503 HydrophobicContact CB-CE2 4.33Å; V501-F503 HydrophobicContact CG2-CD2 4.5Å; V501-F503 HydrophobicContact CG2-CE2 4.13Å; V501-F503 PolarHBondContact O-N 2.9Å | ||
| 504 | E | 34.9 | Very low | 41.7 | Very low | 183 Ų | 183 | 128.3 Ų | 128.3 | 86% | 0.855 | 75% | 0.746 | S | S | * | * | trans | -85.7 | 120.2 | 164.5 | -170.1 | 162.8 | -144.9 | 0 | 0 | 109.8 | V502 | V502-E504 PolarHBondContact O-N 3.28Š| ||
| 505 | K | 36.7 | Very low | 41.9 | Very low | 214 Ų | 214 | 128.2 Ų | 128.2 | 93% | 0.93 | 73% | 0.734 | S | S | * | * | trans | -103.7 | 85.4 | -165.3 | -168.1 | 177 | -176.2 | 175.7 | 0 | 112.2 | ||||
| 506 | G | 35.7 | Very low | 42.8 | Very low | 66 Ų | 66 | 128.2 Ų | 128.2 | 68% | 0.68 | 74% | 0.735 | S | S | * | * | trans | -145.8 | 72.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 507 | M | 35.3 | Very low | 44.2 | Very low | 197 Ų | 197 | 129.3 Ų | 129.3 | 97% | 0.97 | 73% | 0.734 | S | S | * | * | S | Bend | trans | 60.9 | 127.1 | 165.8 | -63.6 | -174.5 | 173.9 | 0 | 0 | 119.1 | ||
| 508 | G | 37.3 | Very low | 46.1 | Very low | 74 Ų | 74 | 127.9 Ų | 127.9 | 76% | 0.763 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 102.6 | 146.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S510 | G508-S510 PolarHBondContact O-N 3.02Š|
| 509 | L | 42.3 | Very low | 48.7 | Very low | 195 Ų | 195 | 124.4 Ų | 124.4 | 100% | 1.021 | 70% | 0.695 | S | S | * | * | trans | -82.3 | 99.8 | 167.8 | -85.9 | 152 | 0 | 0 | 0 | 108.5 | ||||
| 510 | S | 35.8 | Very low | 51.1 | Low | 97 Ų | 97 | 122.7 Ų | 122.7 | 68% | 0.678 | 68% | 0.675 | S | S | * | * | trans | -132.7 | 119.7 | 162.6 | 57.5 | 0 | 0 | 0 | 0 | 108 | G508 V512 | G508-S510 PolarHBondContact O-N 3.02Å; S510-V512 PolarHBondContact O-N 2.83Å | ||
| 511 | E | 35.7 | Very low | 53.8 | Low | 186 Ų | 186 | 115.2 Ų | 115.2 | 87% | 0.869 | 64% | 0.64 | S | S | * | * | trans | -56.8 | 130.7 | 169.3 | -65.7 | 172.2 | 114.2 | 0 | 0 | 108.6 | M513 | E511-M513 PolarHBondContact O-N 2.86Š| ||
| 512 | V | 42.3 | Very low | 56.7 | Low | 137 Ų | 137 | 112.5 Ų | 112.5 | 83% | 0.83 | 62% | 0.624 | S | S | * | * | trans | -75.5 | 74.2 | 168.2 | -176.5 | 0 | 0 | 0 | 0 | 106.8 | S510 V514 | S510-V512 PolarHBondContact O-N 2.83Å; V512-V514 PolarHBondContact O-N 3.38Å | ||
| 513 | M | 39.4 | Very low | 59.6 | Low | 149 Ų | 149 | 107 Ų | 107 | 73% | 0.734 | 59% | 0.591 | S | S | * | * | trans | -63.8 | 103.7 | 178.2 | -169.7 | 175.7 | 74.5 | 0 | 0 | 107.4 | E511 K515 | E511-M513 PolarHBondContact O-N 2.86Å; M513-K515 PolarHBondContact O-N 3.16Å | ||
| 514 | V | 49.5 | Very low | 62.7 | Low | 130 Ų | 130 | 98.8 Ų | 98.8 | 79% | 0.788 | 56% | 0.556 | S | S | * | * | trans | -66.8 | 83.7 | 174.4 | -178.3 | 0 | 0 | 0 | 0 | 106.9 | V512 S516 | V512-V514 PolarHBondContact O-N 3.38Å; V514-S516 PolarHBondContact O-N 2.94Å | ||
| 515 | K | 59.8 | Low | 65.7 | Low | 120 Ų | 120 | 90.2 Ų | 90.2 | 52% | 0.522 | 52% | 0.516 | S | S | . | . | trans | -61.8 | 110.3 | -178 | -167.1 | -169.4 | 176.8 | -165.9 | 0 | 106.9 | M513 M518 E546 | M513-K515 PolarHBondContact O-N 3.16Å; K515-M518 WeakPolarHBondContact CE-SD 3.43Å; K515-M518 HydrophobicContact CG-SD 4.47Å; K515-E546 IonicContact NZ-OE1 3.96Å; K515-E546 PolarHBondContact NZ-OE1 3.27Å | ||
| 516 | S | 73.3 | Confident | 68 | Low | 76 Ų | 76 | 81.2 Ų | 81.2 | 53% | 0.531 | 48% | 0.482 | S | S | . | . | trans | -50.2 | 147.1 | 172.4 | -51 | 0 | 0 | 0 | 0 | 109.6 | V514 M518 | V514-S516 PolarHBondContact O-N 2.94Å; S516-M518 WeakPolarHBondContact O-CG 3.45Å; S516-M518 PolarHBondContact O-N 3.25Å | ||
| 517 | P | 81.5 | Confident | 70.7 | Confident | 70 Ų | 70 | 81.8 Ų | 81.8 | 46% | 0.455 | 47% | 0.472 | S | S | . | . | trans | -52.6 | 115.4 | 170.8 | 18.2 | -28.5 | 0 | 0 | 0 | 109.3 | V560 L643 S646 | P517-V560 HydrophobicContact CB-CG1 3.76Å; P517-L643 HydrophobicContact CB-CD2 4.08Å; P517-S646 WeakPolarHBondContact CG-OG 3.41Å | ||
| 518 | M | 89.9 | Confident | 73.5 | Confident | 94 Ų | 94 | 75 Ų | 75 | 46% | 0.463 | 44% | 0.443 | S | S | . | . | trans | -116.8 | 143.4 | 175 | -70.4 | 176.6 | -174.9 | 0 | 0 | 107.5 | K515 S516 E546 | K515-M518 WeakPolarHBondContact CE-SD 3.43Å; K515-M518 HydrophobicContact CG-SD 4.47Å; S516-M518 WeakPolarHBondContact O-CG 3.45Å; S516-M518 PolarHBondContact O-N 3.25Å; M518-E546 WeakPolarHBondContact O-CG 3.5Å | ||
| 519 | S | 97.1 | Very high | 76.3 | Confident | 3 Ų | 3 | 76.6 Ų | 76.6 | 2% | 0.021 | 43% | 0.426 | C | S | . | . | trans | -164.9 | 99.1 | 177.2 | 171.4 | 0 | 0 | 0 | 0 | 106.9 | H548 Y564 F642 L643 | S519-H548 WeakPolarHBondContact CB-ND1 3.49Å; S519-H548 PolarHBondContact OG-ND1 3.45Å; S519-Y564 VanDerWaalsContact CB-OH 3.27Å; S519-Y564 WeakPolarHBondContact CB-OH 3.47Å; S519-Y564 WeakPolarHBondContact OG-CE1 3.42Å; S519-Y564 PolarHBondContact OG-OH 2.95Å; S519-F642 WeakPolarHBondContact O-CA 3.07Å; S519-L643 PolarHBondContact O-N 2.87Å | ||
| 520 | A | 97.9 | Very high | 78.8 | Confident | 25 Ų | 25 | 68.1 Ų | 68.1 | 21% | 0.207 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 152.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y543 G641 F642 | A520-Y543 HydrophobicContact CB-CD1 4.24Å; A520-Y543 HydrophobicContact CB-CE1 3.88Å; A520-Y543 WeakPolarHBondContact O-CD1 3.33Å; A520-Y543 VanDerWaalsContact O-CE1 3.24Å; A520-Y543 WeakPolarHBondContact O-CE1 3.43Å; A520-G641 CarbonylContact C-O 3.45Å; A520-G641 VanDerWaalsContact CA-O 3.26Å; A520-G641 WeakPolarHBondContact CA-O 3.4Å; A520-F642 HydrophobicContact CB-CB 3.73Å |
| 521 | F | 98.7 | Very high | 81.7 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 1% | 0.013 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 159.4 | 170.1 | 74.9 | -78.4 | 0 | 0 | 0 | 111.2 | Y543 N544 Y549 F556 F566 F639 S640 G641 | F521-Y543 CarbonylContact C-O 3.57Å; F521-Y543 WeakPolarHBondContact CA-O 3.3Å; F521-N544 HydrophobicContact CB-CB 4.46Å; F521-Y549 HydrophobicContact CB-CG 4.45Å; F521-Y549 HydrophobicContact CD2-CD1 4.17Å; F521-Y549 AromaticContact CD2-CD2 3.68Å; F521-Y549 HydrophobicContact CD2-CD2 3.68Å; F521-Y549 HydrophobicContact CD2-CE2 4.37Å; F521-Y549 AromaticContact CD2-CG 3.57Å; F521-Y549 HydrophobicContact CD2-CG 3.57Å; F521-Y549 AromaticContact CE2-CD2 3.55Å; F521-Y549 HydrophobicContact CE2-CD2 3.55Å; F521-Y549 AromaticContact CE2-CE2 3.96Å; F521-Y549 HydrophobicContact CE2-CE2 3.96Å; F521-Y549 AromaticContact CE2-CG 3.96Å; F521-Y549 HydrophobicContact CE2-CG 3.96Å; F521-Y549 HydrophobicContact CG-CD2 4.27Å; F521-Y549 AromaticContact CG-CG 3.99Å; F521-Y549 HydrophobicContact CG-CG 3.99Å; F521-Y549 HydrophobicContact CZ-CD2 4.03Å; F521-F556 AromaticContact CD1-CD2 3.43Å; F521-F556 HydrophobicContact CD1-CD2 3.43Å; F521-F556 VanDerWaalsContact CD1-CD2 3.43Å; F521-F556 AromaticContact CD1-CE2 4Å; F521-F556 HydrophobicContact CD1-CE2 4Å; F521-F556 HydrophobicContact CD1-CG 4.25Å; F521-F556 HydrophobicContact CE1-CB 3.83Å; F521-F556 AromaticContact CE1-CD2 3.41Å; F521-F556 HydrophobicContact CE1-CD2 3.41Å; F521-F556 VanDerWaalsContact CE1-CD2 3.41Å; F521-F556 HydrophobicContact CE1-CE2 4.18Å; F521-F556 AromaticContact CE1-CG 3.77Å; F521-F556 HydrophobicContact CE1-CG 3.77Å; F521-F556 HydrophobicContact CG-CD2 4.48Å; F521-F556 HydrophobicContact CZ-CB 4.12Å; F521-F556 HydrophobicContact CZ-CD2 4.45Å; F521-F566 HydrophobicContact CE1-CD1 4.19Å; F521-F566 AromaticContact CE1-CE1 3.8Å; F521-F566 HydrophobicContact CE1-CE1 3.8Å; F521-F566 HydrophobicContact CZ-CD1 4.2Å; F521-F566 HydrophobicContact CZ-CE1 4.13Å; F521-F639 AromaticContact CE2-CD1 3.62Å; F521-F639 HydrophobicContact CE2-CD1 3.62Å; F521-F639 AromaticContact CE2-CE1 3.83Å; F521-F639 HydrophobicContact CE2-CE1 3.83Å; F521-F639 AromaticContact CE2-CG 4Å; F521-F639 HydrophobicContact CE2-CG 4Å; F521-F639 HydrophobicContact CE2-CZ 4.39Å; F521-F639 AromaticContact CZ-CD1 3.86Å; F521-F639 HydrophobicContact CZ-CD1 3.86Å; F521-F639 HydrophobicContact CZ-CD2 4.42Å; F521-F639 AromaticContact CZ-CE1 3.59Å; F521-F639 HydrophobicContact CZ-CE1 3.59Å; F521-F639 HydrophobicContact CZ-CE2 4.19Å; F521-F639 HydrophobicContact CZ-CG 4.26Å; F521-F639 AromaticContact CZ-CZ 3.77Å; F521-F639 HydrophobicContact CZ-CZ 3.77Å; F521-S640 WeakPolarHBondContact O-CA 3.45Å; F521-G641 VanDerWaalsContact CE1-CA 3.5Å; F521-G641 PolarHBondContact N-O 3.47Å; F521-G641 PolarHBondContact O-N 2.87Å; F521-G641 VanDerWaalsContact O-N 3.08Å |
| 522 | T | 98.6 | Very high | 84.6 | Confident | 41 Ų | 41 | 59.1 Ų | 59.1 | 25% | 0.252 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 125.1 | 162.5 | -71.3 | 0 | 0 | 0 | 0 | 107.4 | V542 Y543 F639 S640 | T522-V542 HydrophobicContact CG2-CB 4.04Å; T522-V542 HydrophobicContact CG2-CG2 4.32Å; T522-V542 WeakPolarHBondContact O-CA 3.44Å; T522-V542 WeakPolarHBondContact O-CB 3.09Å; T522-V542 PolarHBondContact O-N 3.16Å; T522-Y543 PolarHBondContact N-O 3.29Å; T522-Y543 PolarHBondContact O-N 3.47Å; T522-F639 WeakPolarHBondContact CA-O 3.18Å; T522-S640 WeakPolarHBondContact CB-OG 3.49Å; T522-S640 VanDerWaalsContact CG2-OG 3.31Å; T522-S640 WeakPolarHBondContact CG2-OG 3.32Å; T522-S640 VanDerWaalsContact OG1-CB 3.32Å; T522-S640 WeakPolarHBondContact OG1-CB 3.43Å; T522-S640 PolarHBondContact OG1-OG 3.49Å |
| 523 | A | 98.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 150.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | F538 Q540 I541 Y549 S638 F639 | A523-F538 HydrophobicContact CB-CB 3.5Å; A523-F538 VanDerWaalsContact CB-CB 3.5Å; A523-F538 WeakPolarHBondContact CB-O 3.5Å; A523-Q540 CarbonylContact C-O 3.59Å; A523-Q540 WeakPolarHBondContact CA-O 3.24Å; A523-I541 HydrophobicContact CB-CD1 3.94Å; A523-Y549 HydrophobicContact CB-CD1 4.1Å; A523-Y549 HydrophobicContact CB-CE1 3.68Å; A523-S638 CarbonylContact O-C 3.57Å; A523-S638 WeakPolarHBondContact O-CA 3.43Å; A523-F639 PolarHBondContact N-O 3.44Å; A523-F639 PolarHBondContact O-N 3.12Å |
| 524 | V | 97.8 | Very high | 89.9 | Confident | 15 Ų | 15 | 50.9 Ų | 50.9 | 9% | 0.091 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 141.3 | -179.1 | 166.8 | 0 | 0 | 0 | 0 | 108.8 | F538 D539 Q540 V542 H636 C637 | V524-F538 CarbonylContact O-C 3.55Å; V524-F538 VanDerWaalsContact O-C 3.28Å; V524-D539 PolarHBondContact O-N 3.24Å; V524-Q540 HydrophobicContact CB-CB 4.09Å; V524-Q540 HydrophobicContact CG1-CB 4.47Å; V524-Q540 PolarHBondContact N-O 2.89Å; V524-Q540 WeakPolarHBondContact O-CB 3.34Å; V524-Q540 PolarHBondContact O-N 3.41Å; V524-V542 HydrophobicContact CG2-CG2 3.89Å; V524-H636 HydrophobicContact CG1-CB 3.78Å; V524-C637 CarbonylContact C-O 3.57Å; V524-C637 VanDerWaalsContact CA-O 3.3Å; V524-C637 WeakPolarHBondContact CA-O 3.43Å |
| 525 | L | 96.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 125.5 | 172.4 | 169.8 | 71.7 | 0 | 0 | 0 | 108 | T527 P530 I536 K537 F538 V629 A631 C637 | L525-T527 WeakPolarHBondContact CD1-O 3.46Å; L525-T527 WeakPolarHBondContact CD1-OG1 3.32Å; L525-T527 WeakPolarHBondContact CD2-O 3.5Å; L525-T527 VanDerWaalsContact CG-O 3.27Å; L525-T527 WeakPolarHBondContact CG-O 3.26Å; L525-P530 HydrophobicContact CD2-CG 4.04Å; L525-I536 HydrophobicContact CD1-CG2 4.25Å; L525-I536 HydrophobicContact CD2-CG2 3.89Å; L525-K537 VanDerWaalsContact CD1-O 3.25Å; L525-K537 WeakPolarHBondContact CD1-O 3.46Å; L525-F538 HydrophobicContact CB-CD1 3.66Å; L525-F538 HydrophobicContact CB-CE1 4.05Å; L525-F538 HydrophobicContact CB-CG 4.3Å; L525-V629 HydrophobicContact CD2-CG1 4.15Å; L525-A631 HydrophobicContact CD2-CB 4.22Å; L525-A631 HydrophobicContact CG-CB 4.08Å; L525-A631 VanDerWaalsContact O-CB 3.28Å; L525-A631 WeakPolarHBondContact O-CB 3.38Å; L525-C637 HydrophobicContact CB-CB 4.03Å; L525-C637 HydrophobicContact CD2-CB 4.1Å; L525-C637 PolarHBondContact N-O 3.5Å |
| 526 | A | 85.4 | Confident | 94 | Very high | 26 Ų | 26 | 40.3 Ų | 40.3 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | trans | -89.6 | -25.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | D539 Q540 | A526-D539 PolarHBondContact N-OD1 3.3Å; A526-Q540 HydrophobicContact CB-CG 4.11Å | ||
| 527 | T | 91.5 | Very high | 95.2 | Very high | 77 Ų | 77 | 42 Ų | 42 | 47% | 0.472 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -101.9 | 130 | -170 | 51.1 | 0 | 0 | 0 | 0 | 112.2 | L525 | L525-T527 WeakPolarHBondContact CD1-O 3.46Å; L525-T527 WeakPolarHBondContact CD1-OG1 3.32Å; L525-T527 WeakPolarHBondContact CD2-O 3.5Å; L525-T527 VanDerWaalsContact CG-O 3.27Å; L525-T527 WeakPolarHBondContact CG-O 3.26Å |
| 528 | P | 95.1 | Very high | 95.9 | Very high | 56 Ų | 56 | 38.7 Ų | 38.7 | 36% | 0.364 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -75.2 | 157 | 175 | 31.5 | -33.2 | 0 | 0 | 0 | 111.2 | F630 A631 | P528-F630 HydrophobicContact CB-CD2 3.87Å; P528-F630 HydrophobicContact CB-CE2 4.25Å; P528-A631 WeakPolarHBondContact CB-O 3.18Å; P528-A631 VanDerWaalsContact CD-O 3.29Å; P528-A631 WeakPolarHBondContact CD-O 3.36Å |
| 529 | Y | 95.8 | Very high | 96.1 | Very high | 107 Ų | 107 | 37.9 Ų | 37.9 | 42% | 0.42 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 55.4 | 57.3 | 175.5 | -45.2 | -61.9 | 0 | 0 | 0 | 113.8 | N627 V629 F630 | Y529-N627 WeakPolarHBondContact CD1-O 3.23Å; Y529-V629 WeakPolarHBondContact CA-O 3.5Å; Y529-V629 PolarHBondContact N-O 3.47Å; Y529-F630 HydrophobicContact CE2-CD2 4.34Å; Y529-F630 AromaticContact CZ-CD2 4Å |
| 530 | P | 96 | Very high | 96.1 | Very high | 17 Ų | 17 | 42.4 Ų | 42.4 | 11% | 0.11 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 159.2 | 175 | 30 | -36.1 | 0 | 0 | 0 | 111.4 | L525 A532 I536 I621 N627 V629 | L525-P530 HydrophobicContact CD2-CG 4.04Å; P530-A532 PolarHBondContact O-N 3.27Å; P530-I536 HydrophobicContact CB-CG2 4.24Å; P530-I536 HydrophobicContact CG-CD1 4.39Å; P530-I536 HydrophobicContact CG-CG1 4.15Å; P530-I536 HydrophobicContact CG-CG2 4.08Å; P530-I621 HydrophobicContact CG-CD1 3.92Å; P530-N627 PolarHBondContact O-ND2 3.35Å; P530-V629 HydrophobicContact CG-CB 4.32Å; P530-V629 HydrophobicContact CG-CG1 3.9Å |
| 531 | A | 95.6 | Very high | 96 | Very high | 65 Ų | 65 | 44.7 Ų | 44.7 | 54% | 0.537 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 127.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113 | T534 | A531-T534 PolarHBondContact O-OG1 3.27Å; A531-T534 VanDerWaalsContact O-OG1 3.1Å |
| 532 | A | 96.2 | Very high | 96 | Very high | 28 Ų | 28 | 49.4 Ų | 49.4 | 23% | 0.231 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 156.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | P530 T534 I621 E624 | P530-A532 PolarHBondContact O-N 3.27Å; A532-T534 PolarHBondContact O-N 3.16Å; A532-I621 HydrophobicContact CB-CB 4.26Å; A532-I621 HydrophobicContact CB-CG2 3.87Å; A532-E624 HydrophobicContact CB-CB 3.99Å; A532-E624 HydrophobicContact CB-CG 4.41Å |
| 533 | G | 95.6 | Very high | 95.9 | Very high | 48 Ų | 48 | 52.2 Ų | 52.2 | 50% | 0.495 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | -3.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q620 I621 | G533-Q620 PolarHBondContact O-NE2 2.86Å; G533-Q620 VanDerWaalsContact O-NE2 3.16Å; G533-I621 PolarHBondContact N-O 3.22Å |
| 534 | T | 97 | Very high | 95.9 | Very high | 65 Ų | 65 | 53 Ų | 53 | 40% | 0.399 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -131 | 159.9 | 178 | 54.2 | 0 | 0 | 0 | 0 | 112.5 | A531 A532 Q620 | A531-T534 PolarHBondContact O-OG1 3.27Å; A531-T534 VanDerWaalsContact O-OG1 3.1Å; A532-T534 PolarHBondContact O-N 3.16Å; T534-Q620 WeakPolarHBondContact O-CB 3.29Å; T534-Q620 WeakPolarHBondContact O-CG 3.47Å |
| 535 | P | 98.3 | Very high | 95.8 | Very high | 28 Ų | 28 | 55.2 Ų | 55.2 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -56.4 | 139.4 | 171.4 | -22.7 | 32.6 | 0 | 0 | 0 | 112.7 | K537 I555 Y618 | P535-K537 PolarHBondContact O-N 2.89Å; P535-I555 HydrophobicContact CB-CG1 4.21Å; P535-I555 HydrophobicContact CG-CD1 4.18Å; P535-I555 HydrophobicContact CG-CG1 4.06Å; P535-Y618 HydrophobicContact CB-CD2 3.74Å; P535-Y618 HydrophobicContact CB-CE2 4.36Å; P535-Y618 HydrophobicContact CB-CG 4.06Å; P535-Y618 HydrophobicContact CG-CD2 3.71Å; P535-Y618 HydrophobicContact CG-CE2 3.86Å; P535-Y618 HydrophobicContact CG-CG 4.07Å |
| 536 | I | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | trans | -73.6 | 124.4 | 173.1 | -58.5 | 175.1 | 0 | 0 | 0 | 108.5 | L525 P530 F538 V579 V619 I621 | L525-I536 HydrophobicContact CD1-CG2 4.25Å; L525-I536 HydrophobicContact CD2-CG2 3.89Å; P530-I536 HydrophobicContact CB-CG2 4.24Å; P530-I536 HydrophobicContact CG-CD1 4.39Å; P530-I536 HydrophobicContact CG-CG1 4.15Å; P530-I536 HydrophobicContact CG-CG2 4.08Å; I536-F538 HydrophobicContact CB-CD2 4.27Å; I536-F538 HydrophobicContact CB-CE2 3.65Å; I536-F538 HydrophobicContact CB-CZ 4.18Å; I536-F538 HydrophobicContact CG2-CD2 3.93Å; I536-F538 HydrophobicContact CG2-CE1 4.35Å; I536-F538 HydrophobicContact CG2-CE2 3.51Å; I536-F538 HydrophobicContact CG2-CZ 3.73Å; I536-F538 VanDerWaalsContact O-CD2 3.31Å; I536-F538 WeakPolarHBondContact O-CD2 3.33Å; I536-F538 PolarHBondContact O-N 2.84Å; I536-V579 HydrophobicContact CD1-CG1 4.27Å; I536-V619 HydrophobicContact CD1-CB 4.48Å; I536-V619 HydrophobicContact CD1-CG1 3.93Å; I536-V619 PolarHBondContact N-O 3.28Å; I536-I621 HydrophobicContact CD1-CG1 4Å; I536-I621 HydrophobicContact CG1-CG1 4.37Å | ||
| 537 | K | 97.5 | Very high | 96.3 | Very high | 113 Ų | 113 | 61.5 Ų | 61.5 | 49% | 0.491 | 35% | 0.352 | S | S | . | . | trans | -87.3 | 98.5 | 178.2 | -56.5 | -173.5 | -177.4 | -159.8 | 0 | 109.6 | L525 P535 D539 E552 | L525-K537 VanDerWaalsContact CD1-O 3.25Å; L525-K537 WeakPolarHBondContact CD1-O 3.46Å; P535-K537 PolarHBondContact O-N 2.89Å; K537-D539 PolarHBondContact O-N 3.37Å; K537-D539 VanDerWaalsContact O-N 3.15Å; K537-E552 VanDerWaalsContact CD-O 3.3Å; K537-E552 WeakPolarHBondContact CD-O 3.28Å; K537-E552 WeakPolarHBondContact CE-O 3.3Å; K537-E552 PolarHBondContact NZ-O 2.91Å | ||
| 538 | F | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | trans | -80.1 | 94.4 | 172.1 | -62.1 | -99.7 | 0 | 0 | 0 | 107.2 | A523 V524 L525 I536 Y549 I570 V619 C637 F639 | A523-F538 HydrophobicContact CB-CB 3.5Å; A523-F538 VanDerWaalsContact CB-CB 3.5Å; A523-F538 WeakPolarHBondContact CB-O 3.5Å; V524-F538 CarbonylContact O-C 3.55Å; V524-F538 VanDerWaalsContact O-C 3.28Å; L525-F538 HydrophobicContact CB-CD1 3.66Å; L525-F538 HydrophobicContact CB-CE1 4.05Å; L525-F538 HydrophobicContact CB-CG 4.3Å; I536-F538 HydrophobicContact CB-CD2 4.27Å; I536-F538 HydrophobicContact CB-CE2 3.65Å; I536-F538 HydrophobicContact CB-CZ 4.18Å; I536-F538 HydrophobicContact CG2-CD2 3.93Å; I536-F538 HydrophobicContact CG2-CE1 4.35Å; I536-F538 HydrophobicContact CG2-CE2 3.51Å; I536-F538 HydrophobicContact CG2-CZ 3.73Å; I536-F538 VanDerWaalsContact O-CD2 3.31Å; I536-F538 WeakPolarHBondContact O-CD2 3.33Å; I536-F538 PolarHBondContact O-N 2.84Å; F538-Y549 HydrophobicContact CB-CE1 4.49Å; F538-Y549 PolarHBondContact N-OH 3.38Å; F538-I570 HydrophobicContact CE1-CD1 4.24Å; F538-I570 HydrophobicContact CZ-CD1 4.11Å; F538-V619 HydrophobicContact CE2-CB 4.26Å; F538-C637 HydrophobicContact CE1-CB 4.35Å; F538-F639 HydrophobicContact CD1-CB 3.94Å; F538-F639 HydrophobicContact CD2-CB 3.7Å; F538-F639 HydrophobicContact CD2-CD1 4.13Å; F538-F639 HydrophobicContact CD2-CG 4.38Å; F538-F639 HydrophobicContact CE1-CB 3.82Å; F538-F639 HydrophobicContact CE2-CB 3.55Å; F538-F639 HydrophobicContact CE2-CD1 4.13Å; F538-F639 HydrophobicContact CE2-CG 4.15Å; F538-F639 HydrophobicContact CG-CB 3.91Å; F538-F639 HydrophobicContact CZ-CB 3.63Å | ||
| 539 | D | 94.4 | Very high | 96.7 | Very high | 76 Ų | 76 | 56.8 Ų | 56.8 | 41% | 0.406 | 32% | 0.319 | S | S | . | . | trans | -81.2 | -24 | -165 | 58.3 | -35.2 | 0 | 0 | 0 | 114.2 | V524 A526 K537 | V524-D539 PolarHBondContact O-N 3.24Å; A526-D539 PolarHBondContact N-OD1 3.3Å; K537-D539 PolarHBondContact O-N 3.37Å; K537-D539 VanDerWaalsContact O-N 3.15Å | ||
| 540 | Q | 95.6 | Very high | 96.9 | Very high | 98 Ų | 98 | 54.8 Ų | 54.8 | 46% | 0.458 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 97.6 | 178.9 | -63.5 | -171.2 | -12.7 | 0 | 0 | 111.4 | A523 V524 A526 V542 | A523-Q540 CarbonylContact C-O 3.59Å; A523-Q540 WeakPolarHBondContact CA-O 3.24Å; V524-Q540 HydrophobicContact CB-CB 4.09Å; V524-Q540 HydrophobicContact CG1-CB 4.47Å; V524-Q540 PolarHBondContact N-O 2.89Å; V524-Q540 WeakPolarHBondContact O-CB 3.34Å; V524-Q540 PolarHBondContact O-N 3.41Å; A526-Q540 HydrophobicContact CB-CG 4.11Å; Q540-V542 PolarHBondContact O-N 3.18Å |
| 541 | I | 97.4 | Very high | 96.9 | Very high | 74 Ų | 74 | 56 Ų | 56 | 38% | 0.379 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 123.9 | 176.4 | -58.9 | -57.1 | 0 | 0 | 0 | 111.3 | A523 N544 Y549 P551 | A523-I541 HydrophobicContact CB-CD1 3.94Å; I541-N544 HydrophobicContact CD1-CB 4.42Å; I541-N544 HydrophobicContact CG2-CB 3.57Å; I541-Y549 HydrophobicContact CD1-CD1 3.89Å; I541-Y549 HydrophobicContact CD1-CE1 4.23Å; I541-P551 HydrophobicContact CD1-CB 4.11Å; I541-P551 HydrophobicContact CD1-CG 4.25Å; I541-P551 HydrophobicContact CG1-CG 4.42Å |
| 542 | V | 97.2 | Very high | 96.9 | Very high | 102 Ų | 102 | 60.5 Ų | 60.5 | 62% | 0.618 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -40.7 | 170.1 | -176.1 | 0 | 0 | 0 | 0 | 110.6 | T522 V524 Q540 | T522-V542 HydrophobicContact CG2-CB 4.04Å; T522-V542 HydrophobicContact CG2-CG2 4.32Å; T522-V542 WeakPolarHBondContact O-CA 3.44Å; T522-V542 WeakPolarHBondContact O-CB 3.09Å; T522-V542 PolarHBondContact O-N 3.16Å; V524-V542 HydrophobicContact CG2-CG2 3.89Å; Q540-V542 PolarHBondContact O-N 3.18Å |
| 543 | Y | 97.9 | Very high | 97 | Very high | 99 Ų | 99 | 61 Ų | 61 | 39% | 0.388 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 137 | 170.1 | -178.2 | -80.9 | 0 | 0 | 0 | 109.3 | A520 F521 T522 A545 E546 | A520-Y543 HydrophobicContact CB-CD1 4.24Å; A520-Y543 HydrophobicContact CB-CE1 3.88Å; A520-Y543 WeakPolarHBondContact O-CD1 3.33Å; A520-Y543 VanDerWaalsContact O-CE1 3.24Å; A520-Y543 WeakPolarHBondContact O-CE1 3.43Å; F521-Y543 CarbonylContact C-O 3.57Å; F521-Y543 WeakPolarHBondContact CA-O 3.3Å; T522-Y543 PolarHBondContact N-O 3.29Å; T522-Y543 PolarHBondContact O-N 3.47Å; Y543-A545 HydrophobicContact CE1-CB 4.04Å; Y543-A545 HydrophobicContact CE2-CB 4Å; Y543-A545 WeakPolarHBondContact OH-CB 3.3Å; Y543-E546 PolarHBondContact OH-OE2 2.9Å |
| 544 | N | 97.3 | Very high | 97.1 | Very high | 17 Ų | 17 | 58.8 Ų | 58.8 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | trans | -165.3 | 44.4 | 171.9 | -169.8 | 21.5 | 0 | 0 | 0 | 110.3 | F521 I541 E546 N547 H548 Y549 | F521-N544 HydrophobicContact CB-CB 4.46Å; I541-N544 HydrophobicContact CD1-CB 4.42Å; I541-N544 HydrophobicContact CG2-CB 3.57Å; N544-E546 PolarHBondContact O-N 2.96Å; N544-E546 VanDerWaalsContact O-N 3.14Å; N544-N547 PolarHBondContact O-N 2.96Å; N544-N547 WeakPolarHBondContact OD1-CA 3.48Å; N544-N547 PolarHBondContact OD1-N 3.43Å; N544-H548 PolarHBondContact OD1-N 3.48Å; N544-Y549 PolarHBondContact ND2-O 3.04Å; N544-Y549 PolarHBondContact OD1-N 3.42Å | ||
| 545 | A | 94.9 | Very high | 97.2 | Very high | 62 Ų | 62 | 57.5 Ų | 57.5 | 51% | 0.512 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -29.5 | -167 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y543 N547 | Y543-A545 HydrophobicContact CE1-CB 4.04Å; Y543-A545 HydrophobicContact CE2-CB 4Å; Y543-A545 WeakPolarHBondContact OH-CB 3.3Å; A545-N547 PolarHBondContact O-ND2 3.38Å |
| 546 | E | 95.4 | Very high | 97.2 | Very high | 34 Ų | 34 | 56.1 Ų | 56.1 | 16% | 0.159 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -12.7 | 175.7 | -75.6 | 65.3 | -140.5 | 0 | 0 | 114 | K515 M518 Y543 N544 H548 | K515-E546 IonicContact NZ-OE1 3.96Å; K515-E546 PolarHBondContact NZ-OE1 3.27Å; M518-E546 WeakPolarHBondContact O-CG 3.5Å; Y543-E546 PolarHBondContact OH-OE2 2.9Å; N544-E546 PolarHBondContact O-N 2.96Å; N544-E546 VanDerWaalsContact O-N 3.14Å; E546-H548 VanDerWaalsContact C-N 3.28Å; E546-H548 PolarHBondContact O-CD2 2.84Å; E546-H548 VanDerWaalsContact O-CD2 3.22Å; E546-H548 PolarHBondContact O-N 3Å |
| 547 | N | 97 | Very high | 97.2 | Very high | 126 Ų | 126 | 58 Ų | 58 | 67% | 0.674 | 31% | 0.305 | S | S | * | . | trans | 57.9 | 32.9 | -177.2 | -51.9 | -90.9 | 0 | 0 | 0 | 114.2 | N544 A545 | N544-N547 PolarHBondContact O-N 2.96Å; N544-N547 WeakPolarHBondContact OD1-CA 3.48Å; N544-N547 PolarHBondContact OD1-N 3.43Å; A545-N547 PolarHBondContact O-ND2 3.38Å | ||
| 548 | H | 97.9 | Very high | 97.3 | Very high | 29 Ų | 29 | 52.6 Ų | 52.6 | 13% | 0.134 | 28% | 0.282 | C | S | . | . | trans | -84.2 | -14 | 176.3 | -61.8 | 172 | 0 | 0 | 0 | 112.9 | S519 N544 E546 F556 T557 | S519-H548 WeakPolarHBondContact CB-ND1 3.49Å; S519-H548 PolarHBondContact OG-ND1 3.45Å; N544-H548 PolarHBondContact OD1-N 3.48Å; E546-H548 VanDerWaalsContact C-N 3.28Å; E546-H548 PolarHBondContact O-CD2 2.84Å; E546-H548 VanDerWaalsContact O-CD2 3.22Å; E546-H548 PolarHBondContact O-N 3Å; H548-F556 HydrophobicContact CB-CD2 4.02Å; H548-F556 HydrophobicContact CB-CE2 3.51Å; H548-F556 HydrophobicContact CB-CZ 4.24Å; H548-F556 WeakPolarHBondContact O-CA 3.48Å; H548-F556 WeakPolarHBondContact O-CD2 3.32Å; H548-T557 PolarHBondContact O-N 3.28Å | ||
| 549 | Y | 98.7 | Very high | 97.2 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 134.8 | 166.1 | -177.4 | -102 | 0 | 0 | 0 | 110.1 | F521 A523 F538 I541 N544 P551 G554 F556 F639 | F521-Y549 HydrophobicContact CB-CG 4.45Å; F521-Y549 HydrophobicContact CD2-CD1 4.17Å; F521-Y549 AromaticContact CD2-CD2 3.68Å; F521-Y549 HydrophobicContact CD2-CD2 3.68Å; F521-Y549 HydrophobicContact CD2-CE2 4.37Å; F521-Y549 AromaticContact CD2-CG 3.57Å; F521-Y549 HydrophobicContact CD2-CG 3.57Å; F521-Y549 AromaticContact CE2-CD2 3.55Å; F521-Y549 HydrophobicContact CE2-CD2 3.55Å; F521-Y549 AromaticContact CE2-CE2 3.96Å; F521-Y549 HydrophobicContact CE2-CE2 3.96Å; F521-Y549 AromaticContact CE2-CG 3.96Å; F521-Y549 HydrophobicContact CE2-CG 3.96Å; F521-Y549 HydrophobicContact CG-CD2 4.27Å; F521-Y549 AromaticContact CG-CG 3.99Å; F521-Y549 HydrophobicContact CG-CG 3.99Å; F521-Y549 HydrophobicContact CZ-CD2 4.03Å; A523-Y549 HydrophobicContact CB-CD1 4.1Å; A523-Y549 HydrophobicContact CB-CE1 3.68Å; F538-Y549 HydrophobicContact CB-CE1 4.49Å; F538-Y549 PolarHBondContact N-OH 3.38Å; I541-Y549 HydrophobicContact CD1-CD1 3.89Å; I541-Y549 HydrophobicContact CD1-CE1 4.23Å; N544-Y549 PolarHBondContact ND2-O 3.04Å; N544-Y549 PolarHBondContact OD1-N 3.42Å; Y549-P551 HydrophobicContact CE1-CB 4.35Å; Y549-G554 VanDerWaalsContact CE2-C 3.5Å; Y549-G554 VanDerWaalsContact CE2-O 3.29Å; Y549-G554 WeakPolarHBondContact CE2-O 3.31Å; Y549-G554 VanDerWaalsContact OH-CA 3.32Å; Y549-G554 WeakPolarHBondContact OH-CA 3.47Å; Y549-G554 PolarHBondContact OH-O 3.48Å; Y549-F556 HydrophobicContact CD2-CB 4.13Å; Y549-F639 AromaticContact CE2-CD1 3.95Å; Y549-F639 HydrophobicContact CE2-CD1 3.95Å; Y549-F639 HydrophobicContact CE2-CE1 4.07Å |
| 550 | D | 98.2 | Very high | 97.3 | Very high | 65 Ų | 65 | 54.2 Ų | 54.2 | 35% | 0.348 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 114.1 | 173.1 | 168.4 | 33.4 | 0 | 0 | 0 | 110.6 | E552 S553 G554 I555 | D550-E552 VanDerWaalsContact C-N 3.3Å; D550-E552 PolarHBondContact O-N 2.9Å; D550-E552 WeakPolarHBondContact OD1-CB 2.87Å; D550-E552 PolarHBondContact OD1-N 3.23Å; D550-S553 WeakPolarHBondContact OD2-CB 3.24Å; D550-S553 PolarHBondContact OD2-N 2.9Å; D550-S553 PolarHBondContact OD2-OG 3.06Å; D550-G554 WeakPolarHBondContact O-CA 3.34Å; D550-G554 PolarHBondContact O-N 2.95Å; D550-I555 PolarHBondContact N-O 2.95Å; D550-I555 PolarHBondContact O-N 2.95Å |
| 551 | P | 97 | Very high | 97.4 | Very high | 43 Ų | 43 | 50.4 Ų | 50.4 | 28% | 0.279 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -19.5 | 176.6 | 30 | -34.2 | 0 | 0 | 0 | 113.6 | I541 Y549 | I541-P551 HydrophobicContact CD1-CB 4.11Å; I541-P551 HydrophobicContact CD1-CG 4.25Å; I541-P551 HydrophobicContact CG1-CG 4.42Å; Y549-P551 HydrophobicContact CE1-CB 4.35Å |
| 552 | E | 96.6 | Very high | 97.4 | Very high | 159 Ų | 159 | 46.9 Ų | 46.9 | 74% | 0.743 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -35.3 | 178.7 | -68.9 | -163.3 | -176.2 | 0 | 0 | 112.5 | K537 D550 | K537-E552 VanDerWaalsContact CD-O 3.3Å; K537-E552 WeakPolarHBondContact CD-O 3.28Å; K537-E552 WeakPolarHBondContact CE-O 3.3Å; K537-E552 PolarHBondContact NZ-O 2.91Å; D550-E552 VanDerWaalsContact C-N 3.3Å; D550-E552 PolarHBondContact O-N 2.9Å; D550-E552 WeakPolarHBondContact OD1-CB 2.87Å; D550-E552 PolarHBondContact OD1-N 3.23Å |
| 553 | S | 97.3 | Very high | 97.4 | Very high | 40 Ų | 40 | 43 Ų | 43 | 28% | 0.28 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -27.8 | 171.4 | 62.9 | 0 | 0 | 0 | 0 | 113.9 | D550 I555 | D550-S553 WeakPolarHBondContact OD2-CB 3.24Å; D550-S553 PolarHBondContact OD2-N 2.9Å; D550-S553 PolarHBondContact OD2-OG 3.06Å; S553-I555 PolarHBondContact OG-N 2.97Å |
| 554 | G | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | 12.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y549 D550 | Y549-G554 VanDerWaalsContact CE2-C 3.5Å; Y549-G554 VanDerWaalsContact CE2-O 3.29Å; Y549-G554 WeakPolarHBondContact CE2-O 3.31Å; Y549-G554 VanDerWaalsContact OH-CA 3.32Å; Y549-G554 WeakPolarHBondContact OH-CA 3.47Å; Y549-G554 PolarHBondContact OH-O 3.48Å; D550-G554 WeakPolarHBondContact O-CA 3.34Å; D550-G554 PolarHBondContact O-N 2.95Å |
| 555 | I | 98.7 | Very high | 97.5 | Very high | 38 Ų | 38 | 40.9 Ų | 40.9 | 20% | 0.195 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 137.2 | -167.7 | -57.9 | 174.8 | 0 | 0 | 0 | 111.6 | P535 D550 S553 T616 Y618 | P535-I555 HydrophobicContact CB-CG1 4.21Å; P535-I555 HydrophobicContact CG-CD1 4.18Å; P535-I555 HydrophobicContact CG-CG1 4.06Å; D550-I555 PolarHBondContact N-O 2.95Å; D550-I555 PolarHBondContact O-N 2.95Å; S553-I555 PolarHBondContact OG-N 2.97Å; I555-T616 HydrophobicContact CG2-CG2 3.99Å; I555-Y618 HydrophobicContact CG1-CD1 4.13Å; I555-Y618 HydrophobicContact CG1-CG 4.31Å; I555-Y618 HydrophobicContact CG2-CD1 4.35Å |
| 556 | F | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 131.9 | 161.5 | 173.5 | -90.7 | 0 | 0 | 0 | 110.1 | F521 H548 Y549 C558 Y564 F566 L611 T616 V617 | F521-F556 AromaticContact CD1-CD2 3.43Å; F521-F556 HydrophobicContact CD1-CD2 3.43Å; F521-F556 VanDerWaalsContact CD1-CD2 3.43Å; F521-F556 AromaticContact CD1-CE2 4Å; F521-F556 HydrophobicContact CD1-CE2 4Å; F521-F556 HydrophobicContact CD1-CG 4.25Å; F521-F556 HydrophobicContact CE1-CB 3.83Å; F521-F556 AromaticContact CE1-CD2 3.41Å; F521-F556 HydrophobicContact CE1-CD2 3.41Å; F521-F556 VanDerWaalsContact CE1-CD2 3.41Å; F521-F556 HydrophobicContact CE1-CE2 4.18Å; F521-F556 AromaticContact CE1-CG 3.77Å; F521-F556 HydrophobicContact CE1-CG 3.77Å; F521-F556 HydrophobicContact CG-CD2 4.48Å; F521-F556 HydrophobicContact CZ-CB 4.12Å; F521-F556 HydrophobicContact CZ-CD2 4.45Å; H548-F556 HydrophobicContact CB-CD2 4.02Å; H548-F556 HydrophobicContact CB-CE2 3.51Å; H548-F556 HydrophobicContact CB-CZ 4.24Å; H548-F556 WeakPolarHBondContact O-CA 3.48Å; H548-F556 WeakPolarHBondContact O-CD2 3.32Å; Y549-F556 HydrophobicContact CD2-CB 4.13Å; F556-C558 HydrophobicContact CE1-CB 4.11Å; F556-Y564 HydrophobicContact CE1-CD1 4.43Å; F556-Y564 HydrophobicContact CE1-CE1 4.08Å; F556-Y564 HydrophobicContact CE2-CE1 4.35Å; F556-Y564 HydrophobicContact CZ-CD1 4.14Å; F556-Y564 AromaticContact CZ-CE1 3.48Å; F556-Y564 HydrophobicContact CZ-CE1 3.48Å; F556-Y564 VanDerWaalsContact CZ-CE1 3.48Å; F556-Y564 AromaticContact CZ-CZ 3.87Å; F556-F566 HydrophobicContact CB-CE1 4.28Å; F556-F566 AromaticContact CD1-CE1 3.9Å; F556-F566 HydrophobicContact CD1-CE1 3.9Å; F556-F566 AromaticContact CD1-CZ 3.68Å; F556-F566 HydrophobicContact CD1-CZ 3.68Å; F556-F566 HydrophobicContact CE1-CE1 4.45Å; F556-F566 AromaticContact CE1-CZ 3.9Å; F556-F566 HydrophobicContact CE1-CZ 3.9Å; F556-F566 HydrophobicContact CG-CE1 4.03Å; F556-F566 HydrophobicContact CG-CZ 4.27Å; F556-L611 HydrophobicContact CD1-CD1 4.34Å; F556-L611 HydrophobicContact CE1-CD1 3.8Å; F556-T616 CarbonylContact O-C 3.58Å; F556-T616 VanDerWaalsContact O-CA 3.3Å; F556-T616 WeakPolarHBondContact O-CA 3.31Å; F556-V617 WeakPolarHBondContact CB-O 3.49Å; F556-V617 HydrophobicContact CD1-CB 4.35Å; F556-V617 PolarHBondContact N-O 3.08Å; F556-V617 PolarHBondContact O-N 3.4Å |
| 557 | T | 98.7 | Very high | 97.8 | Very high | 38 Ų | 38 | 37.9 Ų | 37.9 | 23% | 0.233 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 120.8 | 175.1 | -54.4 | 0 | 0 | 0 | 0 | 110.2 | H548 Q559 T616 | H548-T557 PolarHBondContact O-N 3.28Å; T557-Q559 PolarHBondContact O-N 3.34Å; T557-T616 HydrophobicContact CG2-CG2 4.38Å |
| 558 | C | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -66.1 | 117.4 | -177.7 | -172.4 | 0 | 0 | 0 | 0 | 112.1 | F556 V560 L611 D612 Q614 D615 | F556-C558 HydrophobicContact CE1-CB 4.11Å; C558-V560 PolarHBondContact SG-O 3.4Å; C558-L611 HydrophobicContact CB-CB 4.15Å; C558-L611 HydrophobicContact CB-CD1 4.11Å; C558-D612 VanDerWaalsContact CB-O 3.26Å; C558-D612 WeakPolarHBondContact CB-O 3.41Å; C558-D612 PolarHBondContact SG-O 3.35Å; C558-Q614 WeakPolarHBondContact O-CA 3.11Å; C558-Q614 PolarHBondContact O-N 3.26Å; C558-D615 HydrophobicContact CB-CB 4.07Å; C558-D615 WeakPolarHBondContact CB-O 3.27Å; C558-D615 PolarHBondContact N-O 3.45Å | ||
| 559 | Q | 96.9 | Very high | 97.9 | Very high | 81 Ų | 81 | 31.7 Ų | 31.7 | 38% | 0.379 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -106.1 | -0.9 | 171.2 | -53.7 | -57.6 | -44.3 | 0 | 0 | 112.9 | T557 Q614 | T557-Q559 PolarHBondContact O-N 3.34Å; Q559-Q614 VanDerWaalsContact NE2-OE1 3.12Å |
| 560 | V | 96.3 | Very high | 97.9 | Very high | 30 Ų | 30 | 31.5 Ų | 31.5 | 18% | 0.182 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -140.3 | 103.7 | -178.1 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | P517 C558 G562 Y564 L643 | P517-V560 HydrophobicContact CB-CG1 3.76Å; C558-V560 PolarHBondContact SG-O 3.4Å; V560-G562 PolarHBondContact O-N 3.28Å; V560-Y564 WeakPolarHBondContact O-CE2 3.38Å; V560-Y564 PolarHBondContact O-OH 3.37Å; V560-L643 HydrophobicContact CB-CD2 4.47Å; V560-L643 HydrophobicContact CG1-CD2 3.79Å |
| 561 | P | 97 | Very high | 97.8 | Very high | 17 Ų | 17 | 30 Ų | 30 | 11% | 0.11 | 16% | 0.16 | C | C | . | . | trans | -53.3 | 138.1 | 177.7 | -27.2 | 35.1 | 0 | 0 | 0 | 112.5 | L611 E613 S646 T647 | P561-L611 CarbonylContact C-O 3.48Å; P561-L611 WeakPolarHBondContact CA-O 3.49Å; P561-E613 HydrophobicContact CG-CB 4.1Å; P561-S646 VanDerWaalsContact O-CA 3.32Å; P561-S646 WeakPolarHBondContact O-CA 3.32Å; P561-T647 PolarHBondContact O-N 3.2Å; P561-T647 PolarHBondContact O-OG1 3.48Å | ||
| 562 | G | 96.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.5 | -173 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | V560 Y564 L611 A645 T647 | V560-G562 PolarHBondContact O-N 3.28Å; G562-Y564 WeakPolarHBondContact O-CD2 3.31Å; G562-L611 PolarHBondContact N-O 2.89Å; G562-L611 PolarHBondContact O-N 3.2Å; G562-A645 CarbonylContact C-O 3.51Å; G562-A645 VanDerWaalsContact CA-O 3.24Å; G562-A645 WeakPolarHBondContact CA-O 3.48Å; G562-T647 PolarHBondContact N-OG1 3.39Å |
| 563 | V | 98 | Very high | 97.7 | Very high | 20 Ų | 20 | 22.2 Ų | 22.2 | 12% | 0.121 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 120.2 | 176 | -175.1 | 0 | 0 | 0 | 0 | 109 | V608 L609 L610 I644 A645 | V563-V608 HydrophobicContact CG1-CG1 3.44Å; V563-V608 VanDerWaalsContact CG1-CG1 3.44Å; V563-L609 WeakPolarHBondContact CA-O 3.25Å; V563-L610 HydrophobicContact CG2-CD1 4.17Å; V563-I644 HydrophobicContact CG1-CD1 4.08Å; V563-I644 WeakPolarHBondContact O-CA 3.43Å; V563-I644 WeakPolarHBondContact O-CB 3.46Å; V563-I644 PolarHBondContact O-N 3.41Å; V563-A645 PolarHBondContact N-O 3.47Å; V563-A645 PolarHBondContact O-N 3.03Å |
| 564 | Y | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 146.3 | 179.8 | -78.9 | -98 | 0 | 0 | 0 | 111.9 | S519 F556 V560 G562 F566 V608 L609 L611 F642 L643 | S519-Y564 VanDerWaalsContact CB-OH 3.27Å; S519-Y564 WeakPolarHBondContact CB-OH 3.47Å; S519-Y564 WeakPolarHBondContact OG-CE1 3.42Å; S519-Y564 PolarHBondContact OG-OH 2.95Å; F556-Y564 HydrophobicContact CE1-CD1 4.43Å; F556-Y564 HydrophobicContact CE1-CE1 4.08Å; F556-Y564 HydrophobicContact CE2-CE1 4.35Å; F556-Y564 HydrophobicContact CZ-CD1 4.14Å; F556-Y564 AromaticContact CZ-CE1 3.48Å; F556-Y564 HydrophobicContact CZ-CE1 3.48Å; F556-Y564 VanDerWaalsContact CZ-CE1 3.48Å; F556-Y564 AromaticContact CZ-CZ 3.87Å; V560-Y564 WeakPolarHBondContact O-CE2 3.38Å; V560-Y564 PolarHBondContact O-OH 3.37Å; G562-Y564 WeakPolarHBondContact O-CD2 3.31Å; Y564-F566 VanDerWaalsContact CB-CE2 3.44Å; Y564-F566 HydrophobicContact CD1-CE2 4.38Å; Y564-F566 HydrophobicContact CD1-CZ 4.32Å; Y564-F566 HydrophobicContact CG-CE2 4.11Å; Y564-F566 HydrophobicContact CG-CZ 4.42Å; Y564-V608 CarbonylContact O-C 3.28Å; Y564-V608 VanDerWaalsContact O-CA 3.27Å; Y564-V608 WeakPolarHBondContact O-CA 3.27Å; Y564-L609 PolarHBondContact N-O 3.04Å; Y564-L609 PolarHBondContact O-N 3Å; Y564-L611 HydrophobicContact CD2-CB 3.91Å; Y564-L611 HydrophobicContact CD2-CD1 3.65Å; Y564-L611 HydrophobicContact CD2-CG 3.8Å; Y564-L611 HydrophobicContact CE2-CB 4.14Å; Y564-L611 HydrophobicContact CE2-CD1 4.06Å; Y564-L611 HydrophobicContact CE2-CG 4.41Å; Y564-L611 HydrophobicContact CG-CD1 3.92Å; Y564-L611 HydrophobicContact CG-CG 4.35Å; Y564-F642 CarbonylContact C-O 3.53Å; Y564-F642 WeakPolarHBondContact CA-O 3.28Å; Y564-F642 VanDerWaalsContact CD1-C 3.44Å; Y564-F642 WeakPolarHBondContact CD1-O 3.34Å; Y564-L643 HydrophobicContact CD1-CB 4.21Å; Y564-L643 HydrophobicContact CD2-CD1 3.99Å; Y564-L643 HydrophobicContact CE1-CB 3.76Å; Y564-L643 HydrophobicContact CE1-CD1 4.31Å; Y564-L643 HydrophobicContact CE2-CD1 3.58Å |
| 565 | Y | 98.6 | Very high | 97.3 | Very high | 72 Ų | 72 | 24.3 Ų | 24.3 | 28% | 0.282 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 135.7 | 161.4 | 179.9 | -100.1 | 0 | 0 | 0 | 109.3 | S606 V608 G641 F642 | Y565-S606 WeakPolarHBondContact OH-CB 3.36Å; Y565-S606 PolarHBondContact OH-OG 3Å; Y565-V608 HydrophobicContact CD2-CG2 3.98Å; Y565-G641 CarbonylContact O-C 3.57Å; Y565-G641 WeakPolarHBondContact O-CA 3.3Å; Y565-F642 HydrophobicContact CD1-CD1 4.15Å; Y565-F642 AromaticContact CD1-CE1 3.44Å; Y565-F642 HydrophobicContact CD1-CE1 3.44Å; Y565-F642 VanDerWaalsContact CD1-CE1 3.44Å; Y565-F642 AromaticContact CD1-CZ 3.9Å; Y565-F642 HydrophobicContact CD1-CZ 3.9Å; Y565-F642 HydrophobicContact CE1-CE1 4.28Å; Y565-F642 HydrophobicContact CG-CE1 4.08Å; Y565-F642 HydrophobicContact CG-CZ 4.13Å; Y565-F642 PolarHBondContact N-O 3.08Å; Y565-F642 PolarHBondContact O-N 3.49Å |
| 566 | F | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 142.3 | 170.7 | -69.4 | -92.7 | 0 | 0 | 0 | 110 | F521 F556 Y564 L581 S606 A607 L609 L611 V617 F639 S640 | F521-F566 HydrophobicContact CE1-CD1 4.19Å; F521-F566 AromaticContact CE1-CE1 3.8Å; F521-F566 HydrophobicContact CE1-CE1 3.8Å; F521-F566 HydrophobicContact CZ-CD1 4.2Å; F521-F566 HydrophobicContact CZ-CE1 4.13Å; F556-F566 HydrophobicContact CB-CE1 4.28Å; F556-F566 AromaticContact CD1-CE1 3.9Å; F556-F566 HydrophobicContact CD1-CE1 3.9Å; F556-F566 AromaticContact CD1-CZ 3.68Å; F556-F566 HydrophobicContact CD1-CZ 3.68Å; F556-F566 HydrophobicContact CE1-CE1 4.45Å; F556-F566 AromaticContact CE1-CZ 3.9Å; F556-F566 HydrophobicContact CE1-CZ 3.9Å; F556-F566 HydrophobicContact CG-CE1 4.03Å; F556-F566 HydrophobicContact CG-CZ 4.27Å; Y564-F566 VanDerWaalsContact CB-CE2 3.44Å; Y564-F566 HydrophobicContact CD1-CE2 4.38Å; Y564-F566 HydrophobicContact CD1-CZ 4.32Å; Y564-F566 HydrophobicContact CG-CE2 4.11Å; Y564-F566 HydrophobicContact CG-CZ 4.42Å; F566-L581 HydrophobicContact CB-CD2 4.37Å; F566-S606 CarbonylContact O-C 3.55Å; F566-S606 WeakPolarHBondContact O-CA 3.39Å; F566-S606 VanDerWaalsContact O-CB 3.26Å; F566-S606 WeakPolarHBondContact O-CB 3.4Å; F566-A607 PolarHBondContact N-O 2.87Å; F566-A607 PolarHBondContact O-N 2.94Å; F566-L609 HydrophobicContact CD2-CD1 3.75Å; F566-L609 HydrophobicContact CD2-CG 4.22Å; F566-L609 HydrophobicContact CE2-CB 4.49Å; F566-L609 HydrophobicContact CE2-CD1 3.94Å; F566-L611 HydrophobicContact CE2-CD1 3.85Å; F566-L611 HydrophobicContact CZ-CD1 3.83Å; F566-V617 HydrophobicContact CD1-CB 4.49Å; F566-V617 HydrophobicContact CD1-CG1 3.84Å; F566-V617 HydrophobicContact CD2-CG1 4.25Å; F566-V617 HydrophobicContact CE1-CB 3.82Å; F566-V617 HydrophobicContact CE1-CG1 3.67Å; F566-V617 HydrophobicContact CE1-CG2 4.35Å; F566-V617 HydrophobicContact CE2-CB 4.33Å; F566-V617 HydrophobicContact CE2-CG1 4.1Å; F566-V617 HydrophobicContact CE2-CG2 4.02Å; F566-V617 HydrophobicContact CG-CG1 4.13Å; F566-V617 HydrophobicContact CZ-CB 3.74Å; F566-V617 HydrophobicContact CZ-CG1 3.82Å; F566-V617 HydrophobicContact CZ-CG2 3.75Å; F566-F639 HydrophobicContact CB-CE2 4.37Å; F566-F639 AromaticContact CD1-CE2 3.86Å; F566-F639 HydrophobicContact CD1-CE2 3.86Å; F566-F639 AromaticContact CD1-CZ 3.85Å; F566-F639 HydrophobicContact CD1-CZ 3.85Å; F566-F639 HydrophobicContact CE1-CZ 4.35Å; F566-S640 WeakPolarHBondContact CA-O 3.18Å |
| 567 | S | 98.6 | Very high | 97.1 | Very high | 33 Ų | 33 | 26.6 Ų | 26.6 | 23% | 0.231 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 146.7 | 173.1 | 55 | 0 | 0 | 0 | 0 | 111.8 | G605 F639 S640 | S567-G605 WeakPolarHBondContact CA-O 3.47Å; S567-F639 WeakPolarHBondContact O-CD2 3.3Å; S567-S640 PolarHBondContact N-O 3.38Å; S567-S640 PolarHBondContact O-N 3.38Å |
| 568 | Y | 98.6 | Very high | 97.1 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 2% | 0.016 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 149.2 | 171.3 | 52.1 | -89.4 | 0 | 0 | 0 | 111.1 | I570 V579 L581 T591 S604 G605 V619 S638 | Y568-I570 HydrophobicContact CD2-CG1 4.05Å; Y568-V579 HydrophobicContact CD2-CG2 4.21Å; Y568-V579 HydrophobicContact CE2-CG2 3.55Å; Y568-L581 HydrophobicContact CD1-CD1 4.37Å; Y568-L581 HydrophobicContact CE1-CB 3.97Å; Y568-L581 HydrophobicContact CE1-CD1 4.25Å; Y568-L581 HydrophobicContact CE1-CG 4.5Å; Y568-T591 PolarHBondContact OH-OG1 3.3Å; Y568-S604 WeakPolarHBondContact O-CA 3.5Å; Y568-S604 WeakPolarHBondContact O-CB 3.1Å; Y568-G605 PolarHBondContact N-O 3.39Å; Y568-G605 PolarHBondContact O-N 3.41Å; Y568-G605 VanDerWaalsContact O-N 3.14Å; Y568-V619 HydrophobicContact CD1-CG2 3.77Å; Y568-V619 HydrophobicContact CE1-CG2 4.37Å; Y568-V619 HydrophobicContact CG-CG2 4.03Å; Y568-S638 CarbonylContact C-O 3.6Å; Y568-S638 WeakPolarHBondContact CA-O 3.49Å; Y568-S638 WeakPolarHBondContact CB-O 3.31Å |
| 569 | S | 97.9 | Very high | 97.1 | Very high | 22 Ų | 22 | 26.5 Ų | 26.5 | 15% | 0.154 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 125.2 | 174.3 | 175.9 | 0 | 0 | 0 | 0 | 107.9 | Q602 C637 S638 | S569-Q602 PolarHBondContact OG-NE2 3.15Å; S569-C637 CarbonylContact O-C 3.5Å; S569-C637 VanDerWaalsContact O-CA 3.31Å; S569-C637 WeakPolarHBondContact O-CA 3.23Å; S569-S638 PolarHBondContact N-O 3.35Å; S569-S638 PolarHBondContact O-N 3.13Å |
| 570 | I | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 127.6 | -172.5 | -58.9 | -65.5 | 0 | 0 | 0 | 109 | F538 Y568 V579 Q602 M603 V629 C637 | F538-I570 HydrophobicContact CE1-CD1 4.24Å; F538-I570 HydrophobicContact CZ-CD1 4.11Å; Y568-I570 HydrophobicContact CD2-CG1 4.05Å; I570-V579 HydrophobicContact CG1-CG1 4.47Å; I570-Q602 WeakPolarHBondContact O-CA 3.18Å; I570-M603 HydrophobicContact CB-CE 3.85Å; I570-M603 HydrophobicContact CB-CG 3.96Å; I570-M603 HydrophobicContact CG1-CE 4.41Å; I570-M603 HydrophobicContact CG2-CE 3.5Å; I570-M603 HydrophobicContact CG2-CG 4.4Å; I570-M603 PolarHBondContact N-O 3.07Å; I570-M603 PolarHBondContact O-N 3Å; I570-V629 HydrophobicContact CG2-CB 4.26Å; I570-V629 HydrophobicContact CG2-CG1 3.91Å; I570-V629 HydrophobicContact CG2-CG2 3.86Å; I570-C637 HydrophobicContact CD1-CB 3.96Å |
| 571 | H | 97.2 | Very high | 97.2 | Very high | 34 Ų | 34 | 21.2 Ų | 21.2 | 16% | 0.157 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 146.6 | 171.8 | -75.6 | -67.1 | 0 | 0 | 0 | 111.5 | L600 D601 F630 V635 C637 | H571-L600 HydrophobicContact CB-CD1 4.16Å; H571-D601 WeakPolarHBondContact CA-O 3.27Å; H571-D601 PolarHBondContact ND1-O 3.41Å; H571-F630 WeakPolarHBondContact CB-O 3.39Å; H571-F630 PolarHBondContact O-N 3.13Å; H571-V635 HydrophobicContact CB-CG1 3.76Å; H571-V635 VanDerWaalsContact CD2-CG1 3.44Å; H571-V635 WeakPolarHBondContact CD2-CG1 3.31Å; H571-C637 PolarHBondContact N-SG 3.15Å |
| 572 | V | 96.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 118.3 | -165.4 | 177.8 | 0 | 0 | 0 | 0 | 110 | A577 D593 D601 M603 G628 | V572-A577 HydrophobicContact CB-CB 4.31Å; V572-A577 HydrophobicContact CG1-CB 3.82Å; V572-A577 HydrophobicContact CG2-CB 3.68Å; V572-D593 HydrophobicContact CG1-CB 4.42Å; V572-D593 HydrophobicContact CG2-CB 4.07Å; V572-D593 WeakPolarHBondContact CG2-OD2 3.34Å; V572-D601 HydrophobicContact CB-CB 4.26Å; V572-D601 PolarHBondContact N-O 3.4Å; V572-D601 PolarHBondContact O-N 3.2Å; V572-M603 HydrophobicContact CG2-CE 4.19Å; V572-M603 HydrophobicContact CG2-CG 3.93Å; V572-M603 HydrophobicContact CG2-SD 4.35Å; V572-G628 WeakPolarHBondContact CA-O 3.16Å |
| 573 | N | 95.1 | Very high | 97.4 | Very high | 38 Ų | 38 | 23.5 Ų | 23.5 | 20% | 0.203 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 152.5 | -175 | -161.1 | -0.2 | 0 | 0 | 0 | 111.7 | A575 Y595 L600 G628 F630 | N573-A575 PolarHBondContact O-N 3.22Å; N573-Y595 WeakPolarHBondContact OD1-CE2 3.33Å; N573-L600 HydrophobicContact CB-CD1 3.89Å; N573-G628 PolarHBondContact N-O 3.4Å; N573-F630 HydrophobicContact CB-CB 3.53Å; N573-F630 HydrophobicContact CB-CD1 4.07Å; N573-F630 HydrophobicContact CB-CD2 3.93Å; N573-F630 HydrophobicContact CB-CG 3.56Å |
| 574 | G | 92.6 | Very high | 97.4 | Very high | 46 Ų | 46 | 26.3 Ų | 26.3 | 47% | 0.474 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 76.7 | -45.3 | 174 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y595 | G574-Y595 VanDerWaalsContact CA-CE1 3.46Å; G574-Y595 VanDerWaalsContact N-CZ 3.31Å; G574-Y595 WeakPolarHBondContact O-CD1 3.35Å; G574-Y595 VanDerWaalsContact O-CE1 3.3Å; G574-Y595 WeakPolarHBondContact O-CE1 3.36Å |
| 575 | A | 93.9 | Very high | 97.3 | Very high | 38 Ų | 38 | 28.1 Ų | 28.1 | 31% | 0.314 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 167.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | N573 Y595 G628 | N573-A575 PolarHBondContact O-N 3.22Å; A575-Y595 VanDerWaalsContact C-CB 3.45Å; A575-Y595 WeakPolarHBondContact O-CB 3.4Å; A575-G628 WeakPolarHBondContact O-CA 3.14Å |
| 576 | H | 95.7 | Very high | 97.3 | Very high | 86 Ų | 86 | 31.3 Ų | 31.3 | 40% | 0.398 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 150.7 | 170.1 | -49.7 | -52.6 | 0 | 0 | 0 | 110.1 | Y592 D593 Y595 A626 G628 | H576-Y592 HydrophobicContact CB-CE2 3.99Å; H576-D593 WeakPolarHBondContact CA-O 3.44Å; H576-Y595 PolarHBondContact ND1-N 3.05Å; H576-A626 CarbonylContact O-C 3.54Å; H576-A626 VanDerWaalsContact O-CA 3.23Å; H576-A626 WeakPolarHBondContact O-CA 3.33Å; H576-A626 VanDerWaalsContact O-O 3.11Å; H576-G628 WeakPolarHBondContact O-CA 3.46Å; H576-G628 PolarHBondContact O-N 3.29Å |
| 577 | A | 97.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 127.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V572 Y592 D593 M603 A626 V629 | V572-A577 HydrophobicContact CB-CB 4.31Å; V572-A577 HydrophobicContact CG1-CB 3.82Å; V572-A577 HydrophobicContact CG2-CB 3.68Å; A577-Y592 CarbonylContact O-C 3.58Å; A577-Y592 VanDerWaalsContact O-CA 3.3Å; A577-Y592 WeakPolarHBondContact O-CA 3.46Å; A577-Y592 VanDerWaalsContact O-CD2 3.31Å; A577-Y592 WeakPolarHBondContact O-CD2 3.46Å; A577-D593 PolarHBondContact N-O 2.99Å; A577-D593 PolarHBondContact O-N 3.03Å; A577-M603 HydrophobicContact CB-CE 3.42Å; A577-M603 VanDerWaalsContact CB-CE 3.42Å; A577-M603 HydrophobicContact CB-SD 4.25Å; A577-A626 CarbonylContact C-O 3.53Å; A577-A626 VanDerWaalsContact CA-O 3.31Å; A577-A626 WeakPolarHBondContact CA-O 3.36Å; A577-V629 HydrophobicContact CB-CG2 4.45Å |
| 578 | L | 97.8 | Very high | 97.2 | Very high | 35 Ų | 35 | 35.7 Ų | 35.7 | 18% | 0.183 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 117.5 | 168.5 | -177 | 67.5 | 0 | 0 | 0 | 109.2 | F590 Y592 P622 D623 A626 | L578-F590 HydrophobicContact CD1-CD1 4.29Å; L578-Y592 HydrophobicContact CB-CD2 4.13Å; L578-Y592 HydrophobicContact CD1-CD2 4.1Å; L578-Y592 HydrophobicContact CD1-CG 4.43Å; L578-P622 HydrophobicContact CD2-CB 4.23Å; L578-P622 HydrophobicContact CD2-CG 4.04Å; L578-P622 HydrophobicContact CG-CG 4.13Å; L578-P622 VanDerWaalsContact O-CD 3.23Å; L578-P622 WeakPolarHBondContact O-CD 3.46Å; L578-D623 HydrophobicContact CD2-CB 4.33Å; L578-A626 HydrophobicContact CB-CB 3.55Å; L578-A626 PolarHBondContact N-O 3.25Å |
| 579 | V | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 148.8 | 168.6 | -65.6 | 0 | 0 | 0 | 0 | 110 | I536 Y568 I570 F590 T591 M603 V619 I621 V629 | I536-V579 HydrophobicContact CD1-CG1 4.27Å; Y568-V579 HydrophobicContact CD2-CG2 4.21Å; Y568-V579 HydrophobicContact CE2-CG2 3.55Å; I570-V579 HydrophobicContact CG1-CG1 4.47Å; V579-F590 WeakPolarHBondContact O-CA 3.36Å; V579-T591 PolarHBondContact N-O 3.48Å; V579-T591 PolarHBondContact O-N 3.18Å; V579-T591 VanDerWaalsContact O-O 3.11Å; V579-M603 HydrophobicContact CB-CE 4.17Å; V579-M603 HydrophobicContact CG1-CE 3.69Å; V579-M603 HydrophobicContact CG2-CE 3.56Å; V579-M603 HydrophobicContact CG2-SD 4.07Å; V579-V619 HydrophobicContact CB-CG1 3.95Å; V579-V619 HydrophobicContact CG1-CG1 4.33Å; V579-I621 HydrophobicContact CG1-CG1 4.19Å; V579-V629 HydrophobicContact CG1-CG2 3.83Å |
| 580 | A | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 142.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y582 P587 M589 F590 V619 Q620 P622 | A580-Y582 HydrophobicContact CB-CD2 4.21Å; A580-Y582 HydrophobicContact CB-CE2 3.65Å; A580-Y582 WeakPolarHBondContact O-CD2 3.31Å; A580-P587 HydrophobicContact CB-CB 4.24Å; A580-M589 CarbonylContact C-O 3.03Å; A580-M589 WeakPolarHBondContact CA-O 3.18Å; A580-M589 WeakPolarHBondContact CB-O 3.13Å; A580-F590 HydrophobicContact CB-CD1 3.66Å; A580-F590 HydrophobicContact CB-CE1 3.85Å; A580-F590 HydrophobicContact CB-CG 4.2Å; A580-V619 WeakPolarHBondContact O-CA 3.4Å; A580-Q620 PolarHBondContact N-O 3.31Å; A580-Q620 PolarHBondContact O-N 3.16Å; A580-P622 HydrophobicContact CB-CG 3.86Å |
| 581 | L | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 131.3 | 163.8 | -169.1 | 69.7 | 0 | 0 | 0 | 107.8 | F566 Y568 I588 M589 A607 L609 V617 V619 F639 | F566-L581 HydrophobicContact CB-CD2 4.37Å; Y568-L581 HydrophobicContact CD1-CD1 4.37Å; Y568-L581 HydrophobicContact CE1-CB 3.97Å; Y568-L581 HydrophobicContact CE1-CD1 4.25Å; Y568-L581 HydrophobicContact CE1-CG 4.5Å; L581-I588 HydrophobicContact CB-CD1 4.47Å; L581-I588 HydrophobicContact CB-CG1 4.22Å; L581-I588 HydrophobicContact CD2-CD1 3.77Å; L581-I588 HydrophobicContact CD2-CG1 4.37Å; L581-I588 HydrophobicContact CG-CD1 3.98Å; L581-I588 HydrophobicContact CG-CG1 4.23Å; L581-I588 WeakPolarHBondContact O-CG1 3.29Å; L581-I588 PolarHBondContact O-N 3.41Å; L581-M589 HydrophobicContact CB-CB 4.25Å; L581-M589 PolarHBondContact N-O 3.39Å; L581-M589 PolarHBondContact O-N 2.87Å; L581-A607 HydrophobicContact CD2-CB 3.78Å; L581-L609 HydrophobicContact CD2-CD1 4.4Å; L581-V617 HydrophobicContact CD1-CG1 3.88Å; L581-V617 HydrophobicContact CG-CG1 4.28Å; L581-V619 HydrophobicContact CD1-CG2 3.91Å; L581-F639 HydrophobicContact CD1-CE2 3.83Å; L581-F639 HydrophobicContact CD1-CZ 4.04Å |
| 582 | Y | 98.7 | Very high | 97.2 | Very high | 22 Ų | 22 | 47.6 Ų | 47.6 | 9% | 0.086 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 144.6 | 177.9 | -72.5 | -106 | 0 | 0 | 0 | 110.4 | A580 Q586 P587 V617 Y618 Q620 | A580-Y582 HydrophobicContact CB-CD2 4.21Å; A580-Y582 HydrophobicContact CB-CE2 3.65Å; A580-Y582 WeakPolarHBondContact O-CD2 3.31Å; Y582-Q586 CarbonylContact C-O 3.51Å; Y582-Q586 VanDerWaalsContact CA-O 3.25Å; Y582-Q586 WeakPolarHBondContact CA-O 3.32Å; Y582-P587 HydrophobicContact CD1-CB 4.08Å; Y582-P587 HydrophobicContact CE1-CB 3.77Å; Y582-P587 HydrophobicContact CE1-CG 4.11Å; Y582-P587 HydrophobicContact CE2-CB 4.42Å; Y582-V617 WeakPolarHBondContact O-CA 3.24Å; Y582-Y618 VanDerWaalsContact CB-CZ 3.49Å; Y582-Y618 HydrophobicContact CD1-CE2 4.22Å; Y582-Y618 HydrophobicContact CD2-CD2 4.18Å; Y582-Y618 AromaticContact CD2-CE2 3.68Å; Y582-Y618 HydrophobicContact CD2-CE2 3.68Å; Y582-Y618 HydrophobicContact CE2-CE2 4.43Å; Y582-Y618 HydrophobicContact CG-CD2 4.28Å; Y582-Y618 AromaticContact CG-CE2 3.56Å; Y582-Y618 HydrophobicContact CG-CE2 3.56Å; Y582-Y618 AromaticContact CG-CZ 3.75Å; Y582-Y618 PolarHBondContact N-O 3.49Å; Y582-Y618 PolarHBondContact O-N 3.48Å; Y582-Q620 HydrophobicContact CD2-CB 3.86Å; Y582-Q620 HydrophobicContact CE2-CB 3.56Å; Y582-Q620 HydrophobicContact CE2-CG 3.79Å |
| 583 | K | 98.5 | Very high | 97.2 | Very high | 43 Ų | 43 | 49.2 Ų | 49.2 | 19% | 0.187 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 125.2 | 160 | -177.9 | -177 | 177 | 179 | 0 | 108.1 | G585 Q586 I588 L610 L611 D615 T616 | K583-G585 VanDerWaalsContact C-N 3.26Å; K583-G585 PolarHBondContact O-N 3.49Å; K583-Q586 PolarHBondContact N-O 3.37Å; K583-Q586 WeakPolarHBondContact O-CB 3.41Å; K583-Q586 PolarHBondContact O-N 2.91Å; K583-I588 HydrophobicContact CB-CD1 4.14Å; K583-I588 HydrophobicContact CB-CG2 4.07Å; K583-L610 PolarHBondContact NZ-O 3.28Å; K583-L611 HydrophobicContact CD-CD2 3.85Å; K583-L611 HydrophobicContact CG-CD2 4.34Å; K583-D615 WeakPolarHBondContact CE-OD2 3.43Å; K583-D615 IonicContact NZ-OD1 3.67Å; K583-D615 IonicContact NZ-OD2 3.78Å; K583-D615 PolarHBondContact NZ-OD2 3.47Å; K583-T616 CarbonylContact C-O 3.51Å; K583-T616 VanDerWaalsContact CA-O 3.31Å; K583-T616 WeakPolarHBondContact CA-O 3.45Å |
| 584 | N | 98.1 | Very high | 97.2 | Very high | 79 Ų | 79 | 52.8 Ų | 52.8 | 42% | 0.422 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 41.5 | 177 | -59.5 | -14.5 | 0 | 0 | 0 | 114.3 | Q586 D615 T616 | N584-Q586 PolarHBondContact O-N 3.31Å; N584-D615 PolarHBondContact ND2-OD1 3.29Å; N584-D615 WeakPolarHBondContact OD1-CA 3.44Å; N584-D615 PolarHBondContact OD1-OD1 3.23Å; N584-T616 WeakPolarHBondContact CA-OG1 3.33Å; N584-T616 PolarHBondContact N-O 3.48Å; N584-T616 PolarHBondContact OD1-N 3.33Å; N584-T616 PolarHBondContact OD1-OG1 3.03Å |
| 585 | G | 97 | Very high | 97.3 | Very high | 39 Ų | 39 | 52.7 Ų | 52.7 | 40% | 0.402 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | -2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | K583 | K583-G585 VanDerWaalsContact C-N 3.26Å; K583-G585 PolarHBondContact O-N 3.49Å |
| 586 | Q | 97.9 | Very high | 97.1 | Very high | 138 Ų | 138 | 55.5 Ų | 55.5 | 65% | 0.645 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 128.1 | 171.2 | -65.8 | -69.2 | -66.4 | 0 | 0 | 110.4 | Y582 K583 N584 I588 | Y582-Q586 CarbonylContact C-O 3.51Å; Y582-Q586 VanDerWaalsContact CA-O 3.25Å; Y582-Q586 WeakPolarHBondContact CA-O 3.32Å; K583-Q586 PolarHBondContact N-O 3.37Å; K583-Q586 WeakPolarHBondContact O-CB 3.41Å; K583-Q586 PolarHBondContact O-N 2.91Å; N584-Q586 PolarHBondContact O-N 3.31Å; Q586-I588 PolarHBondContact O-N 2.95Å |
| 587 | P | 97.5 | Very high | 96.9 | Very high | 52 Ų | 52 | 60.5 Ų | 60.5 | 34% | 0.338 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 126.2 | 172.4 | 29.4 | -32 | 0 | 0 | 0 | 109.9 | A580 Y582 F590 | A580-P587 HydrophobicContact CB-CB 4.24Å; Y582-P587 HydrophobicContact CD1-CB 4.08Å; Y582-P587 HydrophobicContact CE1-CB 3.77Å; Y582-P587 HydrophobicContact CE1-CG 4.11Å; Y582-P587 HydrophobicContact CE2-CB 4.42Å; P587-F590 HydrophobicContact CB-CE1 4.27Å; P587-F590 HydrophobicContact CB-CE2 3.9Å; P587-F590 HydrophobicContact CB-CZ 3.57Å; P587-F590 HydrophobicContact CG-CE2 4.2Å; P587-F590 HydrophobicContact CG-CZ 3.76Å |
| 588 | I | 97.5 | Very high | 96.4 | Very high | 74 Ų | 74 | 63.6 Ų | 63.6 | 38% | 0.379 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | -18.2 | -175.4 | 49.9 | 160.3 | 0 | 0 | 0 | 113.2 | L581 K583 Q586 L609 | L581-I588 HydrophobicContact CB-CD1 4.47Å; L581-I588 HydrophobicContact CB-CG1 4.22Å; L581-I588 HydrophobicContact CD2-CD1 3.77Å; L581-I588 HydrophobicContact CD2-CG1 4.37Å; L581-I588 HydrophobicContact CG-CD1 3.98Å; L581-I588 HydrophobicContact CG-CG1 4.23Å; L581-I588 WeakPolarHBondContact O-CG1 3.29Å; L581-I588 PolarHBondContact O-N 3.41Å; K583-I588 HydrophobicContact CB-CD1 4.14Å; K583-I588 HydrophobicContact CB-CG2 4.07Å; Q586-I588 PolarHBondContact O-N 2.95Å; I588-L609 HydrophobicContact CD1-CD1 3.51Å; I588-L609 HydrophobicContact CD1-CD2 3.51Å; I588-L609 HydrophobicContact CD1-CG 4.16Å |
| 589 | M | 98.1 | Very high | 96.1 | Very high | 55 Ų | 55 | 68.7 Ų | 68.7 | 27% | 0.271 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 127.2 | 178.5 | 176.2 | 178.9 | -68.4 | 0 | 0 | 109.2 | A580 L581 S606 A607 | A580-M589 CarbonylContact C-O 3.03Å; A580-M589 WeakPolarHBondContact CA-O 3.18Å; A580-M589 WeakPolarHBondContact CB-O 3.13Å; L581-M589 HydrophobicContact CB-CB 4.25Å; L581-M589 PolarHBondContact N-O 3.39Å; L581-M589 PolarHBondContact O-N 2.87Å; M589-S606 WeakPolarHBondContact CE-O 3.38Å; M589-A607 HydrophobicContact CE-CB 3.83Å |
| 590 | F | 98.1 | Very high | 95.8 | Very high | 117 Ų | 117 | 72.8 Ų | 72.8 | 51% | 0.513 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 141.6 | 170.1 | -63.7 | -95.8 | 0 | 0 | 0 | 109.4 | L578 V579 A580 P587 P622 | L578-F590 HydrophobicContact CD1-CD1 4.29Å; V579-F590 WeakPolarHBondContact O-CA 3.36Å; A580-F590 HydrophobicContact CB-CD1 3.66Å; A580-F590 HydrophobicContact CB-CE1 3.85Å; A580-F590 HydrophobicContact CB-CG 4.2Å; P587-F590 HydrophobicContact CB-CE1 4.27Å; P587-F590 HydrophobicContact CB-CE2 3.9Å; P587-F590 HydrophobicContact CB-CZ 3.57Å; P587-F590 HydrophobicContact CG-CE2 4.2Å; P587-F590 HydrophobicContact CG-CZ 3.76Å; F590-P622 HydrophobicContact CD1-CG 4.3Å; F590-P622 HydrophobicContact CE1-CG 4.06Å |
| 591 | T | 98.3 | Very high | 95.7 | Very high | 25 Ų | 25 | 76 Ų | 76 | 15% | 0.153 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 129.7 | 166.6 | -58.5 | 0 | 0 | 0 | 0 | 107.6 | Y568 V579 M603 | Y568-T591 PolarHBondContact OH-OG1 3.3Å; V579-T591 PolarHBondContact N-O 3.48Å; V579-T591 PolarHBondContact O-N 3.18Å; V579-T591 VanDerWaalsContact O-O 3.11Å; T591-M603 HydrophobicContact CG2-CB 3.83Å; T591-M603 HydrophobicContact CG2-CG 4.09Å; T591-M603 HydrophobicContact CG2-SD 3.74Å |
| 592 | Y | 97.4 | Very high | 95.6 | Very high | 113 Ų | 113 | 81.1 Ų | 81.1 | 44% | 0.443 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 143.8 | -176.6 | 175.5 | -105.8 | 0 | 0 | 0 | 109.7 | H576 A577 L578 E594 | H576-Y592 HydrophobicContact CB-CE2 3.99Å; A577-Y592 CarbonylContact O-C 3.58Å; A577-Y592 VanDerWaalsContact O-CA 3.3Å; A577-Y592 WeakPolarHBondContact O-CA 3.46Å; A577-Y592 VanDerWaalsContact O-CD2 3.31Å; A577-Y592 WeakPolarHBondContact O-CD2 3.46Å; L578-Y592 HydrophobicContact CB-CD2 4.13Å; L578-Y592 HydrophobicContact CD1-CD2 4.1Å; L578-Y592 HydrophobicContact CD1-CG 4.43Å; Y592-E594 HydrophobicContact CD1-CG 4.47Å; Y592-E594 HydrophobicContact CE1-CG 3.5Å |
| 593 | D | 97 | Very high | 95.5 | Very high | 33 Ų | 33 | 80.6 Ų | 80.6 | 18% | 0.176 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 142.5 | -178.8 | -167.1 | 10.7 | 0 | 0 | 0 | 112.5 | V572 H576 A577 M603 | V572-D593 HydrophobicContact CG1-CB 4.42Å; V572-D593 HydrophobicContact CG2-CB 4.07Å; V572-D593 WeakPolarHBondContact CG2-OD2 3.34Å; H576-D593 WeakPolarHBondContact CA-O 3.44Å; A577-D593 PolarHBondContact N-O 2.99Å; A577-D593 PolarHBondContact O-N 3.03Å; D593-M603 HydrophobicContact CB-CB 3.92Å; D593-M603 HydrophobicContact CB-CG 4.24Å; D593-M603 HydrophobicContact CB-SD 3.9Å |
| 594 | E | 95.1 | Very high | 95.5 | Very high | 114 Ų | 114 | 82.6 Ų | 82.6 | 53% | 0.533 | 43% | 0.431 | S | S | . | . | trans | -102.4 | 94.2 | -170.9 | -68.3 | -167.2 | 170.9 | 0 | 0 | 111.6 | Y592 N596 | Y592-E594 HydrophobicContact CD1-CG 4.47Å; Y592-E594 HydrophobicContact CE1-CG 3.5Å; E594-N596 PolarHBondContact O-N 3.12Å; E594-N596 PolarHBondContact O-ND2 3.43Å | ||
| 595 | Y | 93.7 | Very high | 95.4 | Very high | 43 Ų | 43 | 79.1 Ų | 79.1 | 17% | 0.169 | 41% | 0.414 | C | S | . | . | trans | -51.5 | 113 | 173.9 | 170.1 | -117.2 | 0 | 0 | 0 | 112.9 | N573 G574 A575 H576 K597 G598 F599 | N573-Y595 WeakPolarHBondContact OD1-CE2 3.33Å; G574-Y595 VanDerWaalsContact CA-CE1 3.46Å; G574-Y595 VanDerWaalsContact N-CZ 3.31Å; G574-Y595 WeakPolarHBondContact O-CD1 3.35Å; G574-Y595 VanDerWaalsContact O-CE1 3.3Å; G574-Y595 WeakPolarHBondContact O-CE1 3.36Å; A575-Y595 VanDerWaalsContact C-CB 3.45Å; A575-Y595 WeakPolarHBondContact O-CB 3.4Å; H576-Y595 PolarHBondContact ND1-N 3.05Å; Y595-K597 HydrophobicContact CE1-CB 4.5Å; Y595-G598 PolarHBondContact OH-N 3.42Å; Y595-F599 WeakPolarHBondContact CD2-O 3.21Å; Y595-F599 WeakPolarHBondContact CE2-O 3.26Å | ||
| 596 | N | 90.8 | Very high | 95.5 | Very high | 98 Ų | 98 | 80 Ų | 80 | 52% | 0.524 | 41% | 0.414 | S | S | . | . | trans | -86.7 | 118.2 | 172.7 | -81.4 | -83.5 | 0 | 0 | 0 | 109.6 | E594 G598 F599 | E594-N596 PolarHBondContact O-N 3.12Å; E594-N596 PolarHBondContact O-ND2 3.43Å; N596-G598 PolarHBondContact O-N 3.2Å; N596-F599 HydrophobicContact CB-CB 4.46Å; N596-F599 HydrophobicContact CB-CD2 4.3Å; N596-F599 PolarHBondContact O-N 3.07Å | ||
| 597 | K | 90.4 | Very high | 95.5 | Very high | 191 Ų | 191 | 74 Ų | 74 | 83% | 0.83 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 112.2 | -168.2 | -175.3 | 177.2 | -179.7 | 174.9 | 0 | 113.4 | Y595 | Y595-K597 HydrophobicContact CE1-CB 4.5Š|
| 598 | G | 87.8 | Confident | 95.5 | Very high | 64 Ų | 64 | 74.7 Ų | 74.7 | 66% | 0.66 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.3 | -2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y595 N596 | Y595-G598 PolarHBondContact OH-N 3.42Å; N596-G598 PolarHBondContact O-N 3.2Å |
| 599 | F | 91.1 | Very high | 95.6 | Very high | 143 Ų | 143 | 72.3 Ų | 72.3 | 63% | 0.627 | 38% | 0.379 | S | S | * | . | trans | -116.3 | 128.7 | 177.7 | -61.1 | -87.9 | 0 | 0 | 0 | 110 | Y595 N596 | Y595-F599 WeakPolarHBondContact CD2-O 3.21Å; Y595-F599 WeakPolarHBondContact CE2-O 3.26Å; N596-F599 HydrophobicContact CB-CB 4.46Å; N596-F599 HydrophobicContact CB-CD2 4.3Å; N596-F599 PolarHBondContact O-N 3.07Å | ||
| 600 | L | 92.8 | Very high | 95.6 | Very high | 85 Ų | 85 | 74.5 Ų | 74.5 | 45% | 0.445 | 39% | 0.391 | S | S | . | . | trans | -79.4 | 125.2 | 169.7 | 179.7 | 70.8 | 0 | 0 | 0 | 108.1 | H571 N573 F630 V635 | H571-L600 HydrophobicContact CB-CD1 4.16Å; N573-L600 HydrophobicContact CB-CD1 3.89Å; L600-F630 HydrophobicContact CD1-CD1 3.83Å; L600-F630 HydrophobicContact CD1-CE1 4.4Å; L600-V635 HydrophobicContact CD2-CG1 4.18Å; L600-V635 HydrophobicContact CD2-CG2 4.43Å | ||
| 601 | D | 95.7 | Very high | 95.6 | Very high | 69 Ų | 69 | 69 Ų | 69 | 37% | 0.369 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 178.5 | 176.5 | -134.1 | -43.7 | 0 | 0 | 0 | 112.3 | H571 V572 | H571-D601 WeakPolarHBondContact CA-O 3.27Å; H571-D601 PolarHBondContact ND1-O 3.41Å; V572-D601 HydrophobicContact CB-CB 4.26Å; V572-D601 PolarHBondContact N-O 3.4Å; V572-D601 PolarHBondContact O-N 3.2Å |
| 602 | Q | 95.9 | Very high | 95.5 | Very high | 107 Ų | 107 | 72.6 Ų | 72.6 | 50% | 0.5 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 118.4 | -178.5 | -173.9 | -171.9 | -6.7 | 0 | 0 | 112.4 | S569 I570 | S569-Q602 PolarHBondContact OG-NE2 3.15Å; I570-Q602 WeakPolarHBondContact O-CA 3.18Å |
| 603 | M | 96.9 | Very high | 95.5 | Very high | 11 Ų | 11 | 72.6 Ų | 72.6 | 5% | 0.054 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 151.6 | 170.2 | 67.3 | 173.4 | 171.5 | 0 | 0 | 112.1 | I570 V572 A577 V579 T591 D593 | I570-M603 HydrophobicContact CB-CE 3.85Å; I570-M603 HydrophobicContact CB-CG 3.96Å; I570-M603 HydrophobicContact CG1-CE 4.41Å; I570-M603 HydrophobicContact CG2-CE 3.5Å; I570-M603 HydrophobicContact CG2-CG 4.4Å; I570-M603 PolarHBondContact N-O 3.07Å; I570-M603 PolarHBondContact O-N 3Å; V572-M603 HydrophobicContact CG2-CE 4.19Å; V572-M603 HydrophobicContact CG2-CG 3.93Å; V572-M603 HydrophobicContact CG2-SD 4.35Å; A577-M603 HydrophobicContact CB-CE 3.42Å; A577-M603 VanDerWaalsContact CB-CE 3.42Å; A577-M603 HydrophobicContact CB-SD 4.25Å; V579-M603 HydrophobicContact CB-CE 4.17Å; V579-M603 HydrophobicContact CG1-CE 3.69Å; V579-M603 HydrophobicContact CG2-CE 3.56Å; V579-M603 HydrophobicContact CG2-SD 4.07Å; T591-M603 HydrophobicContact CG2-CB 3.83Å; T591-M603 HydrophobicContact CG2-CG 4.09Å; T591-M603 HydrophobicContact CG2-SD 3.74Å; D593-M603 HydrophobicContact CB-CB 3.92Å; D593-M603 HydrophobicContact CB-CG 4.24Å; D593-M603 HydrophobicContact CB-SD 3.9Å |
| 604 | S | 97.9 | Very high | 95.5 | Very high | 84 Ų | 84 | 75.4 Ų | 75.4 | 59% | 0.587 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 138 | 177.2 | 65.7 | 0 | 0 | 0 | 0 | 111.7 | Y568 | Y568-S604 WeakPolarHBondContact O-CA 3.5Å; Y568-S604 WeakPolarHBondContact O-CB 3.1Å |
| 605 | G | 97.6 | Very high | 95.7 | Very high | 7 Ų | 7 | 70.7 Ų | 70.7 | 7% | 0.072 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 150.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S567 Y568 | S567-G605 WeakPolarHBondContact CA-O 3.47Å; Y568-G605 PolarHBondContact N-O 3.39Å; Y568-G605 PolarHBondContact O-N 3.41Å; Y568-G605 VanDerWaalsContact O-N 3.14Å |
| 606 | S | 98.1 | Very high | 95.9 | Very high | 57 Ų | 57 | 70.5 Ų | 70.5 | 40% | 0.399 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 137 | 174.3 | 70.7 | 0 | 0 | 0 | 0 | 112.8 | Y565 F566 M589 | Y565-S606 WeakPolarHBondContact OH-CB 3.36Å; Y565-S606 PolarHBondContact OH-OG 3Å; F566-S606 CarbonylContact O-C 3.55Å; F566-S606 WeakPolarHBondContact O-CA 3.39Å; F566-S606 VanDerWaalsContact O-CB 3.26Å; F566-S606 WeakPolarHBondContact O-CB 3.4Å; M589-S606 WeakPolarHBondContact CE-O 3.38Å |
| 607 | A | 98 | Very high | 96.3 | Very high | 11 Ų | 11 | 65.8 Ų | 65.8 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 151.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F566 L581 M589 L609 | F566-A607 PolarHBondContact N-O 2.87Å; F566-A607 PolarHBondContact O-N 2.94Å; L581-A607 HydrophobicContact CD2-CB 3.78Å; M589-A607 HydrophobicContact CE-CB 3.83Å; A607-L609 HydrophobicContact CB-CD2 4.09Å; A607-L609 HydrophobicContact CB-CG 4.25Å |
| 608 | V | 98.3 | Very high | 96.7 | Very high | 68 Ų | 68 | 57.9 Ų | 57.9 | 41% | 0.412 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 125.9 | 164.2 | 176.6 | 0 | 0 | 0 | 0 | 107.6 | V563 Y564 Y565 I644 | V563-V608 HydrophobicContact CG1-CG1 3.44Å; V563-V608 VanDerWaalsContact CG1-CG1 3.44Å; Y564-V608 CarbonylContact O-C 3.28Å; Y564-V608 VanDerWaalsContact O-CA 3.27Å; Y564-V608 WeakPolarHBondContact O-CA 3.27Å; Y565-V608 HydrophobicContact CD2-CG2 3.98Å; V608-I644 HydrophobicContact CG1-CD1 4.14Å; V608-I644 HydrophobicContact CG2-CD1 4.34Å |
| 609 | L | 97.9 | Very high | 97.2 | Very high | 24 Ų | 24 | 54.9 Ų | 54.9 | 13% | 0.126 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 133.3 | -173.5 | -55.6 | 178.3 | 0 | 0 | 0 | 110.4 | V563 Y564 F566 L581 I588 A607 L611 V617 | V563-L609 WeakPolarHBondContact CA-O 3.25Å; Y564-L609 PolarHBondContact N-O 3.04Å; Y564-L609 PolarHBondContact O-N 3Å; F566-L609 HydrophobicContact CD2-CD1 3.75Å; F566-L609 HydrophobicContact CD2-CG 4.22Å; F566-L609 HydrophobicContact CE2-CB 4.49Å; F566-L609 HydrophobicContact CE2-CD1 3.94Å; L581-L609 HydrophobicContact CD2-CD1 4.4Å; I588-L609 HydrophobicContact CD1-CD1 3.51Å; I588-L609 HydrophobicContact CD1-CD2 3.51Å; I588-L609 HydrophobicContact CD1-CG 4.16Å; A607-L609 HydrophobicContact CB-CD2 4.09Å; A607-L609 HydrophobicContact CB-CG 4.25Å; L609-L611 HydrophobicContact CB-CD2 3.94Å; L609-L611 HydrophobicContact CB-CG 4.37Å; L609-L611 HydrophobicContact CD1-CD2 4.41Å; L609-V617 HydrophobicContact CD1-CG1 4.19Å; L609-V617 HydrophobicContact CD1-CG2 4.17Å |
| 610 | L | 97.9 | Very high | 97.6 | Very high | 101 Ų | 101 | 49.1 Ų | 49.1 | 53% | 0.529 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 124.3 | 159.9 | -178.8 | 64.5 | 0 | 0 | 0 | 107.9 | V563 K583 T647 | V563-L610 HydrophobicContact CG2-CD1 4.17Å; K583-L610 PolarHBondContact NZ-O 3.28Å; L610-T647 HydrophobicContact CD1-CG2 4.04Å |
| 611 | L | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 133.7 | 176.8 | -57.5 | -171.9 | 0 | 0 | 0 | 110.6 | F556 C558 P561 G562 Y564 F566 K583 L609 D615 V617 | F556-L611 HydrophobicContact CD1-CD1 4.34Å; F556-L611 HydrophobicContact CE1-CD1 3.8Å; C558-L611 HydrophobicContact CB-CB 4.15Å; C558-L611 HydrophobicContact CB-CD1 4.11Å; P561-L611 CarbonylContact C-O 3.48Å; P561-L611 WeakPolarHBondContact CA-O 3.49Å; G562-L611 PolarHBondContact N-O 2.89Å; G562-L611 PolarHBondContact O-N 3.2Å; Y564-L611 HydrophobicContact CD2-CB 3.91Å; Y564-L611 HydrophobicContact CD2-CD1 3.65Å; Y564-L611 HydrophobicContact CD2-CG 3.8Å; Y564-L611 HydrophobicContact CE2-CB 4.14Å; Y564-L611 HydrophobicContact CE2-CD1 4.06Å; Y564-L611 HydrophobicContact CE2-CG 4.41Å; Y564-L611 HydrophobicContact CG-CD1 3.92Å; Y564-L611 HydrophobicContact CG-CG 4.35Å; F566-L611 HydrophobicContact CE2-CD1 3.85Å; F566-L611 HydrophobicContact CZ-CD1 3.83Å; K583-L611 HydrophobicContact CD-CD2 3.85Å; K583-L611 HydrophobicContact CG-CD2 4.34Å; L609-L611 HydrophobicContact CB-CD2 3.94Å; L609-L611 HydrophobicContact CB-CG 4.37Å; L609-L611 HydrophobicContact CD1-CD2 4.41Å; L611-D615 VanDerWaalsContact CA-OD2 3.24Å; L611-D615 WeakPolarHBondContact CA-OD2 3.39Å; L611-D615 HydrophobicContact CB-CB 4.09Å; L611-D615 HydrophobicContact CD2-CB 4.12Å; L611-V617 HydrophobicContact CD1-CG2 3.84Å; L611-V617 HydrophobicContact CD2-CG2 3.79Å |
| 612 | D | 98 | Very high | 97.8 | Very high | 101 Ų | 101 | 43.9 Ų | 43.9 | 54% | 0.54 | 24% | 0.242 | S | C | . | . | trans | -86.4 | 175.6 | 166.4 | -66.5 | -67.4 | 0 | 0 | 0 | 110.2 | C558 D615 | C558-D612 VanDerWaalsContact CB-O 3.26Å; C558-D612 WeakPolarHBondContact CB-O 3.41Å; C558-D612 PolarHBondContact SG-O 3.35Å; D612-D615 PolarHBondContact N-OD2 3.34Å; D612-D615 WeakPolarHBondContact O-CB 3.25Å; D612-D615 PolarHBondContact O-N 3.11Å | ||
| 613 | E | 96 | Very high | 97.6 | Very high | 113 Ų | 113 | 42.2 Ų | 42.2 | 53% | 0.528 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 140 | 177 | -152.4 | -162.3 | 125.4 | 0 | 0 | 111.3 | P561 D615 | P561-E613 HydrophobicContact CG-CB 4.1Å; E613-D615 PolarHBondContact O-N 3.11Å |
| 614 | Q | 97.6 | Very high | 97.4 | Very high | 93 Ų | 93 | 49.3 Ų | 49.3 | 44% | 0.435 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 8.8 | -175.1 | -44.5 | -54.6 | -34.5 | 0 | 0 | 115.7 | C558 Q559 | C558-Q614 WeakPolarHBondContact O-CA 3.11Å; C558-Q614 PolarHBondContact O-N 3.26Å; Q559-Q614 VanDerWaalsContact NE2-OE1 3.12Å |
| 615 | D | 98.6 | Very high | 97 | Very high | 15 Ų | 15 | 53.6 Ų | 53.6 | 8% | 0.08 | 28% | 0.28 | C | S | . | . | trans | -59.8 | 137.3 | 166.7 | -88.3 | -21.1 | 0 | 0 | 0 | 111.3 | C558 K583 N584 L611 D612 E613 | C558-D615 HydrophobicContact CB-CB 4.07Å; C558-D615 WeakPolarHBondContact CB-O 3.27Å; C558-D615 PolarHBondContact N-O 3.45Å; K583-D615 WeakPolarHBondContact CE-OD2 3.43Å; K583-D615 IonicContact NZ-OD1 3.67Å; K583-D615 IonicContact NZ-OD2 3.78Å; K583-D615 PolarHBondContact NZ-OD2 3.47Å; N584-D615 PolarHBondContact ND2-OD1 3.29Å; N584-D615 WeakPolarHBondContact OD1-CA 3.44Å; N584-D615 PolarHBondContact OD1-OD1 3.23Å; L611-D615 VanDerWaalsContact CA-OD2 3.24Å; L611-D615 WeakPolarHBondContact CA-OD2 3.39Å; L611-D615 HydrophobicContact CB-CB 4.09Å; L611-D615 HydrophobicContact CD2-CB 4.12Å; D612-D615 PolarHBondContact N-OD2 3.34Å; D612-D615 WeakPolarHBondContact O-CB 3.25Å; D612-D615 PolarHBondContact O-N 3.11Å; E613-D615 PolarHBondContact O-N 3.11Å | ||
| 616 | T | 98.8 | Very high | 96.8 | Very high | 38 Ų | 38 | 53.8 Ų | 53.8 | 23% | 0.233 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 136.4 | -178.3 | 51.5 | 0 | 0 | 0 | 0 | 111.6 | I555 F556 T557 K583 N584 | I555-T616 HydrophobicContact CG2-CG2 3.99Å; F556-T616 CarbonylContact O-C 3.58Å; F556-T616 VanDerWaalsContact O-CA 3.3Å; F556-T616 WeakPolarHBondContact O-CA 3.31Å; T557-T616 HydrophobicContact CG2-CG2 4.38Å; K583-T616 CarbonylContact C-O 3.51Å; K583-T616 VanDerWaalsContact CA-O 3.31Å; K583-T616 WeakPolarHBondContact CA-O 3.45Å; N584-T616 WeakPolarHBondContact CA-OG1 3.33Å; N584-T616 PolarHBondContact N-O 3.48Å; N584-T616 PolarHBondContact OD1-N 3.33Å; N584-T616 PolarHBondContact OD1-OG1 3.03Å |
| 617 | V | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 132.2 | 177.6 | -174.8 | 0 | 0 | 0 | 0 | 110.3 | F556 F566 L581 Y582 L609 L611 F639 | F556-V617 WeakPolarHBondContact CB-O 3.49Å; F556-V617 HydrophobicContact CD1-CB 4.35Å; F556-V617 PolarHBondContact N-O 3.08Å; F556-V617 PolarHBondContact O-N 3.4Å; F566-V617 HydrophobicContact CD1-CB 4.49Å; F566-V617 HydrophobicContact CD1-CG1 3.84Å; F566-V617 HydrophobicContact CD2-CG1 4.25Å; F566-V617 HydrophobicContact CE1-CB 3.82Å; F566-V617 HydrophobicContact CE1-CG1 3.67Å; F566-V617 HydrophobicContact CE1-CG2 4.35Å; F566-V617 HydrophobicContact CE2-CB 4.33Å; F566-V617 HydrophobicContact CE2-CG1 4.1Å; F566-V617 HydrophobicContact CE2-CG2 4.02Å; F566-V617 HydrophobicContact CG-CG1 4.13Å; F566-V617 HydrophobicContact CZ-CB 3.74Å; F566-V617 HydrophobicContact CZ-CG1 3.82Å; F566-V617 HydrophobicContact CZ-CG2 3.75Å; L581-V617 HydrophobicContact CD1-CG1 3.88Å; L581-V617 HydrophobicContact CG-CG1 4.28Å; Y582-V617 WeakPolarHBondContact O-CA 3.24Å; L609-V617 HydrophobicContact CD1-CG1 4.19Å; L609-V617 HydrophobicContact CD1-CG2 4.17Å; L611-V617 HydrophobicContact CD1-CG2 3.84Å; L611-V617 HydrophobicContact CD2-CG2 3.79Å; V617-F639 HydrophobicContact CG1-CZ 4.34Å |
| 618 | Y | 98.8 | Very high | 96.5 | Very high | 25 Ų | 25 | 51.8 Ų | 51.8 | 10% | 0.098 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 163.2 | 179.5 | 59.5 | -92.5 | 0 | 0 | 0 | 111.9 | P535 I555 Y582 Q620 | P535-Y618 HydrophobicContact CB-CD2 3.74Å; P535-Y618 HydrophobicContact CB-CE2 4.36Å; P535-Y618 HydrophobicContact CB-CG 4.06Å; P535-Y618 HydrophobicContact CG-CD2 3.71Å; P535-Y618 HydrophobicContact CG-CE2 3.86Å; P535-Y618 HydrophobicContact CG-CG 4.07Å; I555-Y618 HydrophobicContact CG1-CD1 4.13Å; I555-Y618 HydrophobicContact CG1-CG 4.31Å; I555-Y618 HydrophobicContact CG2-CD1 4.35Å; Y582-Y618 VanDerWaalsContact CB-CZ 3.49Å; Y582-Y618 HydrophobicContact CD1-CE2 4.22Å; Y582-Y618 HydrophobicContact CD2-CD2 4.18Å; Y582-Y618 AromaticContact CD2-CE2 3.68Å; Y582-Y618 HydrophobicContact CD2-CE2 3.68Å; Y582-Y618 HydrophobicContact CE2-CE2 4.43Å; Y582-Y618 HydrophobicContact CG-CD2 4.28Å; Y582-Y618 AromaticContact CG-CE2 3.56Å; Y582-Y618 HydrophobicContact CG-CE2 3.56Å; Y582-Y618 AromaticContact CG-CZ 3.75Å; Y582-Y618 PolarHBondContact N-O 3.49Å; Y582-Y618 PolarHBondContact O-N 3.48Å; Y618-Q620 HydrophobicContact CD2-CB 3.96Å; Y618-Q620 HydrophobicContact CE2-CB 3.8Å |
| 619 | V | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 136.3 | 169.7 | -174.1 | 0 | 0 | 0 | 0 | 108.6 | I536 F538 Y568 V579 A580 L581 F639 | I536-V619 HydrophobicContact CD1-CB 4.48Å; I536-V619 HydrophobicContact CD1-CG1 3.93Å; I536-V619 PolarHBondContact N-O 3.28Å; F538-V619 HydrophobicContact CE2-CB 4.26Å; Y568-V619 HydrophobicContact CD1-CG2 3.77Å; Y568-V619 HydrophobicContact CE1-CG2 4.37Å; Y568-V619 HydrophobicContact CG-CG2 4.03Å; V579-V619 HydrophobicContact CB-CG1 3.95Å; V579-V619 HydrophobicContact CG1-CG1 4.33Å; A580-V619 WeakPolarHBondContact O-CA 3.4Å; L581-V619 HydrophobicContact CD1-CG2 3.91Å; V619-F639 HydrophobicContact CG2-CD1 4.27Å; V619-F639 HydrophobicContact CG2-CD2 3.7Å; V619-F639 HydrophobicContact CG2-CE1 4.34Å; V619-F639 HydrophobicContact CG2-CE2 3.78Å; V619-F639 HydrophobicContact CG2-CG 3.97Å; V619-F639 HydrophobicContact CG2-CZ 4.11Å |
| 620 | Q | 98.3 | Very high | 96.4 | Very high | 22 Ų | 22 | 49.3 Ų | 49.3 | 10% | 0.103 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 148.9 | 177.5 | 154.8 | 171.7 | -17.7 | 0 | 0 | 110.1 | G533 T534 A580 Y582 Y618 P622 | G533-Q620 PolarHBondContact O-NE2 2.86Å; G533-Q620 VanDerWaalsContact O-NE2 3.16Å; T534-Q620 WeakPolarHBondContact O-CB 3.29Å; T534-Q620 WeakPolarHBondContact O-CG 3.47Å; A580-Q620 PolarHBondContact N-O 3.31Å; A580-Q620 PolarHBondContact O-N 3.16Å; Y582-Q620 HydrophobicContact CD2-CB 3.86Å; Y582-Q620 HydrophobicContact CE2-CB 3.56Å; Y582-Q620 HydrophobicContact CE2-CG 3.79Å; Y618-Q620 HydrophobicContact CD2-CB 3.96Å; Y618-Q620 HydrophobicContact CE2-CB 3.8Å; Q620-P622 WeakPolarHBondContact O-CD 3.44Å |
| 621 | I | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -83.2 | 116 | 167.6 | -61.1 | 179 | 0 | 0 | 0 | 108 | P530 A532 G533 I536 V579 D623 N627 V629 | P530-I621 HydrophobicContact CG-CD1 3.92Å; A532-I621 HydrophobicContact CB-CB 4.26Å; A532-I621 HydrophobicContact CB-CG2 3.87Å; G533-I621 PolarHBondContact N-O 3.22Å; I536-I621 HydrophobicContact CD1-CG1 4Å; I536-I621 HydrophobicContact CG1-CG1 4.37Å; V579-I621 HydrophobicContact CG1-CG1 4.19Å; I621-D623 WeakPolarHBondContact CG2-O 3.08Å; I621-N627 HydrophobicContact CD1-CB 4.45Å; I621-N627 WeakPolarHBondContact CD1-OD1 3.49Å; I621-N627 HydrophobicContact CG2-CB 4.39Å; I621-V629 HydrophobicContact CD1-CB 3.83Å; I621-V629 HydrophobicContact CD1-CG2 3.47Å; I621-V629 VanDerWaalsContact CD1-CG2 3.47Å; I621-V629 HydrophobicContact CG1-CG2 3.97Å | ||
| 622 | P | 95.9 | Very high | 96 | Very high | 44 Ų | 44 | 46.2 Ų | 46.2 | 29% | 0.286 | 24% | 0.236 | S | C | . | . | trans | -74.4 | -25.3 | -176.7 | -18 | 33.3 | 0 | 0 | 0 | 114 | L578 A580 F590 Q620 | L578-P622 HydrophobicContact CD2-CB 4.23Å; L578-P622 HydrophobicContact CD2-CG 4.04Å; L578-P622 HydrophobicContact CG-CG 4.13Å; L578-P622 VanDerWaalsContact O-CD 3.23Å; L578-P622 WeakPolarHBondContact O-CD 3.46Å; A580-P622 HydrophobicContact CB-CG 3.86Å; F590-P622 HydrophobicContact CD1-CG 4.3Å; F590-P622 HydrophobicContact CE1-CG 4.06Å; Q620-P622 WeakPolarHBondContact O-CD 3.44Å | ||
| 623 | D | 91.6 | Very high | 95.3 | Very high | 72 Ų | 72 | 49.8 Ų | 49.8 | 39% | 0.385 | 25% | 0.249 | S | C | . | . | trans | -138.4 | 132.7 | -167.9 | -170.6 | -11.7 | 0 | 0 | 0 | 110.8 | L578 I621 E625 A626 | L578-D623 HydrophobicContact CD2-CB 4.33Å; I621-D623 WeakPolarHBondContact CG2-O 3.08Å; D623-E625 PolarHBondContact OD1-N 3.21Å; D623-A626 PolarHBondContact O-N 3.14Å | ||
| 624 | E | 91.5 | Very high | 94.9 | Very high | 161 Ų | 161 | 51.2 Ų | 51.2 | 75% | 0.752 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -73.2 | -27.3 | 179.3 | -166.4 | 173.7 | -176.8 | 0 | 0 | 112.1 | A532 A626 N627 | A532-E624 HydrophobicContact CB-CB 3.99Å; A532-E624 HydrophobicContact CB-CG 4.41Å; E624-A626 PolarHBondContact O-N 3.27Å; E624-N627 PolarHBondContact O-N 3.45Å |
| 625 | E | 91.2 | Very high | 94.6 | Very high | 174 Ų | 174 | 48.1 Ų | 48.1 | 81% | 0.813 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -22.8 | 176 | -62.3 | -168.1 | -176.2 | 0 | 0 | 112.3 | D623 | D623-E625 PolarHBondContact OD1-N 3.21Š|
| 626 | A | 93.2 | Very high | 94.2 | Very high | 10 Ų | 10 | 51.7 Ų | 51.7 | 8% | 0.083 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | 37.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | H576 A577 L578 D623 E624 G628 | H576-A626 CarbonylContact O-C 3.54Å; H576-A626 VanDerWaalsContact O-CA 3.23Å; H576-A626 WeakPolarHBondContact O-CA 3.33Å; H576-A626 VanDerWaalsContact O-O 3.11Å; A577-A626 CarbonylContact C-O 3.53Å; A577-A626 VanDerWaalsContact CA-O 3.31Å; A577-A626 WeakPolarHBondContact CA-O 3.36Å; L578-A626 HydrophobicContact CB-CB 3.55Å; L578-A626 PolarHBondContact N-O 3.25Å; D623-A626 PolarHBondContact O-N 3.14Å; E624-A626 PolarHBondContact O-N 3.27Å; A626-G628 VanDerWaalsContact C-N 3.32Å; A626-G628 PolarHBondContact O-N 3.35Å |
| 627 | N | 94.4 | Very high | 94.1 | Very high | 26 Ų | 26 | 49.9 Ų | 49.9 | 14% | 0.139 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 57.6 | 175 | -166.4 | -7.3 | 0 | 0 | 0 | 113 | Y529 P530 I621 E624 V629 | Y529-N627 WeakPolarHBondContact CD1-O 3.23Å; P530-N627 PolarHBondContact O-ND2 3.35Å; I621-N627 HydrophobicContact CD1-CB 4.45Å; I621-N627 WeakPolarHBondContact CD1-OD1 3.49Å; I621-N627 HydrophobicContact CG2-CB 4.39Å; E624-N627 PolarHBondContact O-N 3.45Å; N627-V629 PolarHBondContact O-N 3.49Å |
| 628 | G | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 7.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | V572 N573 A575 H576 A626 F630 | V572-G628 WeakPolarHBondContact CA-O 3.16Å; N573-G628 PolarHBondContact N-O 3.4Å; A575-G628 WeakPolarHBondContact O-CA 3.14Å; H576-G628 WeakPolarHBondContact O-CA 3.46Å; H576-G628 PolarHBondContact O-N 3.29Å; A626-G628 VanDerWaalsContact C-N 3.32Å; A626-G628 PolarHBondContact O-N 3.35Å; G628-F630 PolarHBondContact O-N 3.25Å |
| 629 | V | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 113.8 | -169.2 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | L525 Y529 P530 I570 A577 V579 I621 N627 | L525-V629 HydrophobicContact CD2-CG1 4.15Å; Y529-V629 WeakPolarHBondContact CA-O 3.5Å; Y529-V629 PolarHBondContact N-O 3.47Å; P530-V629 HydrophobicContact CG-CB 4.32Å; P530-V629 HydrophobicContact CG-CG1 3.9Å; I570-V629 HydrophobicContact CG2-CB 4.26Å; I570-V629 HydrophobicContact CG2-CG1 3.91Å; I570-V629 HydrophobicContact CG2-CG2 3.86Å; A577-V629 HydrophobicContact CB-CG2 4.45Å; V579-V629 HydrophobicContact CG1-CG2 3.83Å; I621-V629 HydrophobicContact CD1-CB 3.83Å; I621-V629 HydrophobicContact CD1-CG2 3.47Å; I621-V629 VanDerWaalsContact CD1-CG2 3.47Å; I621-V629 HydrophobicContact CG1-CG2 3.97Å; N627-V629 PolarHBondContact O-N 3.49Å |
| 630 | F | 96.6 | Very high | 94.1 | Very high | 41 Ų | 41 | 51.1 Ų | 51.1 | 18% | 0.18 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 126.9 | -170.4 | -178.5 | -97.7 | 0 | 0 | 0 | 112.8 | P528 Y529 H571 N573 L600 G628 A632 V635 C637 | P528-F630 HydrophobicContact CB-CD2 3.87Å; P528-F630 HydrophobicContact CB-CE2 4.25Å; Y529-F630 HydrophobicContact CE2-CD2 4.34Å; Y529-F630 AromaticContact CZ-CD2 4Å; H571-F630 WeakPolarHBondContact CB-O 3.39Å; H571-F630 PolarHBondContact O-N 3.13Å; N573-F630 HydrophobicContact CB-CB 3.53Å; N573-F630 HydrophobicContact CB-CD1 4.07Å; N573-F630 HydrophobicContact CB-CD2 3.93Å; N573-F630 HydrophobicContact CB-CG 3.56Å; L600-F630 HydrophobicContact CD1-CD1 3.83Å; L600-F630 HydrophobicContact CD1-CE1 4.4Å; G628-F630 PolarHBondContact O-N 3.25Å; F630-A632 HydrophobicContact CE1-CB 4.44Å; F630-A632 HydrophobicContact CZ-CB 4.4Å; F630-V635 HydrophobicContact CD1-CG1 4.03Å; F630-V635 HydrophobicContact CE1-CB 4.31Å; F630-V635 HydrophobicContact CE1-CG1 4.2Å; F630-V635 HydrophobicContact CE1-CG2 4.4Å; F630-C637 PolarHBondContact O-SG 3.35Å |
| 631 | A | 95 | Very high | 94.1 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | trans | -134.7 | 154.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L525 P528 V635 C637 | L525-A631 HydrophobicContact CD2-CB 4.22Å; L525-A631 HydrophobicContact CG-CB 4.08Å; L525-A631 VanDerWaalsContact O-CB 3.28Å; L525-A631 WeakPolarHBondContact O-CB 3.38Å; P528-A631 WeakPolarHBondContact CB-O 3.18Å; P528-A631 VanDerWaalsContact CD-O 3.29Å; P528-A631 WeakPolarHBondContact CD-O 3.36Å; A631-V635 CarbonylContact C-O 3.44Å; A631-V635 VanDerWaalsContact CA-O 3.32Å; A631-V635 WeakPolarHBondContact CA-O 3.47Å; A631-C637 HydrophobicContact CB-CB 4.35Å | ||
| 632 | A | 91.1 | Very high | 94.1 | Very high | 35 Ų | 35 | 54.7 Ų | 54.7 | 29% | 0.289 | 28% | 0.281 | S | S | . | . | B | Isolated β-bridge | trans | -159.3 | 173.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | F630 N634 V635 | F630-A632 HydrophobicContact CE1-CB 4.44Å; F630-A632 HydrophobicContact CZ-CB 4.4Å; A632-N634 PolarHBondContact O-N 3.05Å; A632-V635 HydrophobicContact CB-CB 4.27Å; A632-V635 PolarHBondContact N-O 3.47Å; A632-V635 CarbonylContact O-C 3.54Å; A632-V635 PolarHBondContact O-N 3.34Å |
| 633 | E | 85 | Confident | 94.2 | Very high | 175 Ų | 175 | 53.8 Ų | 53.8 | 82% | 0.818 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -24.8 | 178.7 | -62.6 | -177.1 | 154.9 | 0 | 0 | 114.9 | H636 | E633-H636 PolarHBondContact O-CE1 3.1Å; E633-H636 VanDerWaalsContact O-CE1 3.24Å |
| 634 | N | 86.5 | Confident | 94.4 | Very high | 143 Ų | 143 | 52.9 Ų | 52.9 | 77% | 0.765 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.7 | 10.2 | 179.8 | -60.6 | -86.4 | 0 | 0 | 0 | 113.1 | A632 | A632-N634 PolarHBondContact O-N 3.05Š|
| 635 | V | 90.9 | Very high | 94.5 | Very high | 29 Ų | 29 | 46.1 Ų | 46.1 | 18% | 0.176 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -140 | 98.5 | -177.1 | -178.4 | 0 | 0 | 0 | 0 | 108.1 | H571 L600 F630 A631 A632 | H571-V635 HydrophobicContact CB-CG1 3.76Å; H571-V635 VanDerWaalsContact CD2-CG1 3.44Å; H571-V635 WeakPolarHBondContact CD2-CG1 3.31Å; L600-V635 HydrophobicContact CD2-CG1 4.18Å; L600-V635 HydrophobicContact CD2-CG2 4.43Å; F630-V635 HydrophobicContact CD1-CG1 4.03Å; F630-V635 HydrophobicContact CE1-CB 4.31Å; F630-V635 HydrophobicContact CE1-CG1 4.2Å; F630-V635 HydrophobicContact CE1-CG2 4.4Å; A631-V635 CarbonylContact C-O 3.44Å; A631-V635 VanDerWaalsContact CA-O 3.32Å; A631-V635 WeakPolarHBondContact CA-O 3.47Å; A632-V635 HydrophobicContact CB-CB 4.27Å; A632-V635 PolarHBondContact N-O 3.47Å; A632-V635 CarbonylContact O-C 3.54Å; A632-V635 PolarHBondContact O-N 3.34Å |
| 636 | H | 90.2 | Very high | 94.5 | Very high | 89 Ų | 89 | 40.4 Ų | 40.4 | 41% | 0.412 | 22% | 0.219 | S | C | . | . | trans | -100.5 | 116.8 | -167.3 | -58 | -52.5 | 0 | 0 | 0 | 112.1 | V524 E633 | V524-H636 HydrophobicContact CG1-CB 3.78Å; E633-H636 PolarHBondContact O-CE1 3.1Å; E633-H636 VanDerWaalsContact O-CE1 3.24Å | ||
| 637 | C | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 132.4 | 159.6 | -75.1 | 0 | 0 | 0 | 0 | 108.6 | V524 L525 F538 S569 I570 H571 F630 A631 | V524-C637 CarbonylContact C-O 3.57Å; V524-C637 VanDerWaalsContact CA-O 3.3Å; V524-C637 WeakPolarHBondContact CA-O 3.43Å; L525-C637 HydrophobicContact CB-CB 4.03Å; L525-C637 HydrophobicContact CD2-CB 4.1Å; L525-C637 PolarHBondContact N-O 3.5Å; F538-C637 HydrophobicContact CE1-CB 4.35Å; S569-C637 CarbonylContact O-C 3.5Å; S569-C637 VanDerWaalsContact O-CA 3.31Å; S569-C637 WeakPolarHBondContact O-CA 3.23Å; I570-C637 HydrophobicContact CD1-CB 3.96Å; H571-C637 PolarHBondContact N-SG 3.15Å; F630-C637 PolarHBondContact O-SG 3.35Å; A631-C637 HydrophobicContact CB-CB 4.35Å |
| 638 | S | 98.1 | Very high | 93.9 | Very high | 30 Ų | 30 | 43 Ų | 43 | 21% | 0.21 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 149 | -175.7 | 67.8 | 0 | 0 | 0 | 0 | 113.2 | A523 Y568 S569 | A523-S638 CarbonylContact O-C 3.57Å; A523-S638 WeakPolarHBondContact O-CA 3.43Å; Y568-S638 CarbonylContact C-O 3.6Å; Y568-S638 WeakPolarHBondContact CA-O 3.49Å; Y568-S638 WeakPolarHBondContact CB-O 3.31Å; S569-S638 PolarHBondContact N-O 3.35Å; S569-S638 PolarHBondContact O-N 3.13Å |
| 639 | F | 98.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 131.3 | 170.5 | 178.5 | -140.4 | 0 | 0 | 0 | 109.9 | F521 T522 A523 F538 Y549 F566 S567 L581 V617 V619 | F521-F639 AromaticContact CE2-CD1 3.62Å; F521-F639 HydrophobicContact CE2-CD1 3.62Å; F521-F639 AromaticContact CE2-CE1 3.83Å; F521-F639 HydrophobicContact CE2-CE1 3.83Å; F521-F639 AromaticContact CE2-CG 4Å; F521-F639 HydrophobicContact CE2-CG 4Å; F521-F639 HydrophobicContact CE2-CZ 4.39Å; F521-F639 AromaticContact CZ-CD1 3.86Å; F521-F639 HydrophobicContact CZ-CD1 3.86Å; F521-F639 HydrophobicContact CZ-CD2 4.42Å; F521-F639 AromaticContact CZ-CE1 3.59Å; F521-F639 HydrophobicContact CZ-CE1 3.59Å; F521-F639 HydrophobicContact CZ-CE2 4.19Å; F521-F639 HydrophobicContact CZ-CG 4.26Å; F521-F639 AromaticContact CZ-CZ 3.77Å; F521-F639 HydrophobicContact CZ-CZ 3.77Å; T522-F639 WeakPolarHBondContact CA-O 3.18Å; A523-F639 PolarHBondContact N-O 3.44Å; A523-F639 PolarHBondContact O-N 3.12Å; F538-F639 HydrophobicContact CD1-CB 3.94Å; F538-F639 HydrophobicContact CD2-CB 3.7Å; F538-F639 HydrophobicContact CD2-CD1 4.13Å; F538-F639 HydrophobicContact CD2-CG 4.38Å; F538-F639 HydrophobicContact CE1-CB 3.82Å; F538-F639 HydrophobicContact CE2-CB 3.55Å; F538-F639 HydrophobicContact CE2-CD1 4.13Å; F538-F639 HydrophobicContact CE2-CG 4.15Å; F538-F639 HydrophobicContact CG-CB 3.91Å; F538-F639 HydrophobicContact CZ-CB 3.63Å; Y549-F639 AromaticContact CE2-CD1 3.95Å; Y549-F639 HydrophobicContact CE2-CD1 3.95Å; Y549-F639 HydrophobicContact CE2-CE1 4.07Å; F566-F639 HydrophobicContact CB-CE2 4.37Å; F566-F639 AromaticContact CD1-CE2 3.86Å; F566-F639 HydrophobicContact CD1-CE2 3.86Å; F566-F639 AromaticContact CD1-CZ 3.85Å; F566-F639 HydrophobicContact CD1-CZ 3.85Å; F566-F639 HydrophobicContact CE1-CZ 4.35Å; S567-F639 WeakPolarHBondContact O-CD2 3.3Å; L581-F639 HydrophobicContact CD1-CE2 3.83Å; L581-F639 HydrophobicContact CD1-CZ 4.04Å; V617-F639 HydrophobicContact CG1-CZ 4.34Å; V619-F639 HydrophobicContact CG2-CD1 4.27Å; V619-F639 HydrophobicContact CG2-CD2 3.7Å; V619-F639 HydrophobicContact CG2-CE1 4.34Å; V619-F639 HydrophobicContact CG2-CE2 3.78Å; V619-F639 HydrophobicContact CG2-CG 3.97Å; V619-F639 HydrophobicContact CG2-CZ 4.11Å |
| 640 | S | 98.8 | Very high | 93.6 | Very high | 21 Ų | 21 | 47.8 Ų | 47.8 | 15% | 0.147 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 149.4 | -175.4 | -62.6 | 0 | 0 | 0 | 0 | 110.4 | F521 T522 F566 S567 | F521-S640 WeakPolarHBondContact O-CA 3.45Å; T522-S640 WeakPolarHBondContact CB-OG 3.49Å; T522-S640 VanDerWaalsContact CG2-OG 3.31Å; T522-S640 WeakPolarHBondContact CG2-OG 3.32Å; T522-S640 VanDerWaalsContact OG1-CB 3.32Å; T522-S640 WeakPolarHBondContact OG1-CB 3.43Å; T522-S640 PolarHBondContact OG1-OG 3.49Å; F566-S640 WeakPolarHBondContact CA-O 3.18Å; S567-S640 PolarHBondContact N-O 3.38Å; S567-S640 PolarHBondContact O-N 3.38Å |
| 641 | G | 98.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 146.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A520 F521 Y565 | A520-G641 CarbonylContact C-O 3.45Å; A520-G641 VanDerWaalsContact CA-O 3.26Å; A520-G641 WeakPolarHBondContact CA-O 3.4Å; F521-G641 VanDerWaalsContact CE1-CA 3.5Å; F521-G641 PolarHBondContact N-O 3.47Å; F521-G641 PolarHBondContact O-N 2.87Å; F521-G641 VanDerWaalsContact O-N 3.08Å; Y565-G641 CarbonylContact O-C 3.57Å; Y565-G641 WeakPolarHBondContact O-CA 3.3Å |
| 642 | F | 98.4 | Very high | 93.3 | Very high | 97 Ų | 97 | 51.1 Ų | 51.1 | 43% | 0.425 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 148 | 176.8 | 65.9 | -94.5 | 0 | 0 | 0 | 113 | S519 A520 Y564 Y565 I644 | S519-F642 WeakPolarHBondContact O-CA 3.07Å; A520-F642 HydrophobicContact CB-CB 3.73Å; Y564-F642 CarbonylContact C-O 3.53Å; Y564-F642 WeakPolarHBondContact CA-O 3.28Å; Y564-F642 VanDerWaalsContact CD1-C 3.44Å; Y564-F642 WeakPolarHBondContact CD1-O 3.34Å; Y565-F642 HydrophobicContact CD1-CD1 4.15Å; Y565-F642 AromaticContact CD1-CE1 3.44Å; Y565-F642 HydrophobicContact CD1-CE1 3.44Å; Y565-F642 VanDerWaalsContact CD1-CE1 3.44Å; Y565-F642 AromaticContact CD1-CZ 3.9Å; Y565-F642 HydrophobicContact CD1-CZ 3.9Å; Y565-F642 HydrophobicContact CE1-CE1 4.28Å; Y565-F642 HydrophobicContact CG-CE1 4.08Å; Y565-F642 HydrophobicContact CG-CZ 4.13Å; Y565-F642 PolarHBondContact N-O 3.08Å; Y565-F642 PolarHBondContact O-N 3.49Å; F642-I644 HydrophobicContact CD2-CG1 4.46Å; F642-I644 HydrophobicContact CE2-CG1 4.12Å; F642-I644 PolarHBondContact O-N 3.22Å |
| 643 | L | 97.9 | Very high | 93.5 | Very high | 25 Ų | 25 | 52.2 Ų | 52.2 | 13% | 0.131 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 124.1 | 171.8 | -178.9 | 69.4 | 0 | 0 | 0 | 110.1 | P517 S519 V560 Y564 A645 | P517-L643 HydrophobicContact CB-CD2 4.08Å; S519-L643 PolarHBondContact O-N 2.87Å; V560-L643 HydrophobicContact CB-CD2 4.47Å; V560-L643 HydrophobicContact CG1-CD2 3.79Å; Y564-L643 HydrophobicContact CD1-CB 4.21Å; Y564-L643 HydrophobicContact CD2-CD1 3.99Å; Y564-L643 HydrophobicContact CE1-CB 3.76Å; Y564-L643 HydrophobicContact CE1-CD1 4.31Å; Y564-L643 HydrophobicContact CE2-CD1 3.58Å; L643-A645 WeakPolarHBondContact CD1-O 3.45Å |
| 644 | I | 96 | Very high | 94.1 | Very high | 52 Ų | 52 | 43.4 Ų | 43.4 | 27% | 0.267 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | -45.2 | 173.8 | -44.9 | 179.1 | 0 | 0 | 0 | 110.1 | I12 V563 V608 F642 | I12-I644 HydrophobicContact CD1-CG2 3.55Å; I12-I644 HydrophobicContact CG1-CG2 3.85Å; I12-I644 HydrophobicContact CG2-CG2 4.41Å; V563-I644 HydrophobicContact CG1-CD1 4.08Å; V563-I644 WeakPolarHBondContact O-CA 3.43Å; V563-I644 WeakPolarHBondContact O-CB 3.46Å; V563-I644 PolarHBondContact O-N 3.41Å; V608-I644 HydrophobicContact CG1-CD1 4.14Å; V608-I644 HydrophobicContact CG2-CD1 4.34Å; F642-I644 HydrophobicContact CD2-CG1 4.46Å; F642-I644 HydrophobicContact CE2-CG1 4.12Å; F642-I644 PolarHBondContact O-N 3.22Å |
| 645 | A | 93 | Very high | 94.7 | Very high | 19 Ų | 19 | 35.8 Ų | 35.8 | 16% | 0.157 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 128.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | G562 V563 L643 | G562-A645 CarbonylContact C-O 3.51Å; G562-A645 VanDerWaalsContact CA-O 3.24Å; G562-A645 WeakPolarHBondContact CA-O 3.48Å; V563-A645 PolarHBondContact N-O 3.47Å; V563-A645 PolarHBondContact O-N 3.03Å; L643-A645 WeakPolarHBondContact CD1-O 3.45Å |
| 646 | S | 91.3 | Very high | 95 | Very high | 54 Ų | 54 | 36.3 Ų | 36.3 | 38% | 0.378 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 144.5 | 169.3 | 53.9 | 0 | 0 | 0 | 0 | 111 | P517 P561 | P517-S646 WeakPolarHBondContact CG-OG 3.41Å; P561-S646 VanDerWaalsContact O-CA 3.32Å; P561-S646 WeakPolarHBondContact O-CA 3.32Å |
| 647 | T | 81.6 | Confident | 95.4 | Very high | 48 Ų | 48 | 31.5 Ų | 31.5 | 29% | 0.294 | 18% | 0.184 | S | C | . | . | trans | -105.8 | 0 | 174.3 | 50.5 | 0 | 0 | 0 | 0 | 112.4 | T19 P561 G562 L610 | T19-T647 WeakPolarHBondContact CB-OXT 3.04Å; T19-T647 WeakPolarHBondContact OG1-CA 3.47Å; T19-T647 PolarHBondContact OG1-OXT 2.76Å; P561-T647 PolarHBondContact O-N 3.2Å; P561-T647 PolarHBondContact O-OG1 3.48Å; G562-T647 PolarHBondContact N-OG1 3.39Å; L610-T647 HydrophobicContact CD1-CG2 4.04Å |
Retrieved 647 of 647 residues in 167 ms
(Link to these results)