| 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 | 53.4 | Low | 56.4 | Low | 221 Ų | 221 | 130.2 Ų | 130.2 | 100% | 1.089 | 67% | 0.671 | S | S | * | * | 0 | -5.1 | 0 | -63.1 | -49.6 | -177.2 | 0 | 0 | 115.1 | C3 | M1-C3 PolarHBondContact O-N 3.41Š| |||
| 2 | H | 57.3 | Low | 56.4 | Low | 179 Ų | 179 | 126.1 Ų | 126.1 | 83% | 0.829 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -6.2 | -167.9 | -69 | 150.6 | 0 | 0 | 0 | 118.3 | ||
| 3 | C | 57 | Low | 56.1 | Low | 107 Ų | 107 | 127.2 Ų | 127.2 | 72% | 0.723 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -17.7 | -177.4 | -64.6 | 0 | 0 | 0 | 0 | 115.2 | M1 | M1-C3 PolarHBondContact O-N 3.41Š|
| 4 | V | 58 | Low | 56.2 | Low | 97 Ų | 97 | 127.4 Ų | 127.4 | 59% | 0.588 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -75.4 | -30.8 | -173 | -176.5 | 0 | 0 | 0 | 0 | 112.6 | I6 L7 I8 | V4-I6 VanDerWaalsContact C-N 3.35Å; V4-I6 PolarHBondContact O-N 3.49Å; V4-L7 PolarHBondContact O-N 3.4Å; V4-I8 HydrophobicContact CG1-CD1 4.35Å |
| 5 | F | 55.5 | Low | 56.1 | Low | 168 Ų | 168 | 130.5 Ų | 130.5 | 74% | 0.737 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69 | -29.2 | -176.2 | -113.1 | -92.3 | 0 | 0 | 0 | 114.1 | ||
| 6 | I | 58.9 | Low | 56.1 | Low | 111 Ų | 111 | 135.7 Ų | 135.7 | 57% | 0.569 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -72.4 | -35.4 | -178.2 | -66.2 | 167.9 | 0 | 0 | 0 | 111.2 | V4 M9 N10 | V4-I6 VanDerWaalsContact C-N 3.35Å; V4-I6 PolarHBondContact O-N 3.49Å; I6-M9 PolarHBondContact O-N 3.19Å; I6-N10 PolarHBondContact O-N 3.47Å |
| 7 | L | 55.3 | Low | 56.3 | Low | 125 Ų | 125 | 133.6 Ų | 133.6 | 65% | 0.654 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -68.4 | -37.3 | 178.4 | -86.7 | 156.3 | 0 | 0 | 0 | 112.6 | V4 M9 N10 D11 | V4-L7 PolarHBondContact O-N 3.4Å; L7-M9 VanDerWaalsContact C-N 3.33Å; L7-M9 PolarHBondContact O-N 2.85Å; L7-N10 PolarHBondContact O-N 2.94Å; L7-D11 PolarHBondContact O-N 3.14Å; L7-D11 VanDerWaalsContact O-N 3.14Å |
| 8 | I | 59.1 | Low | 56.4 | Low | 108 Ų | 108 | 137.2 Ų | 137.2 | 55% | 0.554 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -67.6 | -32.9 | 179.1 | -61.1 | 174.1 | 0 | 0 | 0 | 111.7 | V4 T12 | V4-I8 HydrophobicContact CG1-CD1 4.35Å; I8-T12 PolarHBondContact O-OG1 3.25Å |
| 9 | M | 56.5 | Low | 56.7 | Low | 134 Ų | 134 | 140.4 Ų | 140.4 | 66% | 0.66 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -75 | -34.8 | 173.9 | -78.9 | -159.1 | 69.2 | 0 | 0 | 113.6 | I6 L7 T12 F13 | I6-M9 PolarHBondContact O-N 3.19Å; L7-M9 VanDerWaalsContact C-N 3.33Å; L7-M9 PolarHBondContact O-N 2.85Å; M9-T12 WeakPolarHBondContact CA-OG1 3.45Å; M9-T12 PolarHBondContact O-N 3.03Å; M9-T12 PolarHBondContact O-OG1 3.22Å; M9-F13 PolarHBondContact O-N 3.31Å |
| 10 | N | 54.3 | Low | 57.1 | Low | 97 Ų | 97 | 137 Ų | 137 | 52% | 0.519 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -71 | -37 | 179.2 | -73.3 | -18.7 | 0 | 0 | 0 | 112.3 | I6 L7 T12 F13 E14 | I6-N10 PolarHBondContact O-N 3.47Å; L7-N10 PolarHBondContact O-N 2.94Å; N10-T12 PolarHBondContact O-N 3.29Å; N10-F13 PolarHBondContact O-N 3.02Å; N10-F13 VanDerWaalsContact O-N 3.09Å; N10-E14 PolarHBondContact O-N 3.09Å |
| 11 | D | 54.9 | Low | 57.4 | Low | 85 Ų | 85 | 133.5 Ų | 133.5 | 46% | 0.455 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -63.3 | -24.6 | 173.8 | -129.7 | -50.8 | 0 | 0 | 0 | 112.7 | L7 R15 | L7-D11 PolarHBondContact O-N 3.14Å; L7-D11 VanDerWaalsContact O-N 3.14Å; D11-R15 VanDerWaalsContact O-CD 3.24Å; D11-R15 WeakPolarHBondContact O-CD 3.17Å; D11-R15 WeakPolarHBondContact O-CG 3.24Å; D11-R15 PolarHBondContact O-NE 3.44Å; D11-R15 IonicContact OD1-CZ 2.67Å; D11-R15 IonicContact OD1-NE 3.44Å; D11-R15 PolarHBondContact OD1-NE 3.43Å; D11-R15 IonicContact OD1-NH2 3.15Å; D11-R15 PolarHBondContact OD1-NH2 2.96Å |
| 12 | T | 56 | Low | 58 | Low | 81 Ų | 81 | 128 Ų | 128 | 50% | 0.497 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -87.9 | -15.6 | 174.1 | 36 | 0 | 0 | 0 | 0 | 114.4 | I8 M9 N10 | I8-T12 PolarHBondContact O-OG1 3.25Å; M9-T12 WeakPolarHBondContact CA-OG1 3.45Å; M9-T12 PolarHBondContact O-N 3.03Å; M9-T12 PolarHBondContact O-OG1 3.22Å; N10-T12 PolarHBondContact O-N 3.29Å |
| 13 | F | 53.2 | Low | 58.4 | Low | 141 Ų | 141 | 128.3 Ų | 128.3 | 62% | 0.618 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -90.3 | -46.2 | 175 | -149.7 | -93.2 | 0 | 0 | 0 | 112.2 | M9 N10 R15 R16 L17 | M9-F13 PolarHBondContact O-N 3.31Å; N10-F13 PolarHBondContact O-N 3.02Å; N10-F13 VanDerWaalsContact O-N 3.09Å; F13-R15 VanDerWaalsContact C-N 3.33Å; F13-R15 PolarHBondContact O-N 2.98Å; F13-R16 WeakPolarHBondContact O-CA 3.39Å; F13-R16 WeakPolarHBondContact O-CB 3.49Å; F13-R16 PolarHBondContact O-N 3.36Å; F13-L17 HydrophobicContact CD1-CD1 3.94Å; F13-L17 HydrophobicContact CE1-CD1 4.04Å; F13-L17 PolarHBondContact O-N 3.34Å |
| 14 | E | 56.8 | Low | 58.8 | Low | 129 Ų | 129 | 132.8 Ų | 132.8 | 60% | 0.603 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -62.2 | -37.2 | 177.8 | -94.3 | -64.8 | 137 | 0 | 0 | 112.6 | N10 R16 L17 | N10-E14 PolarHBondContact O-N 3.09Å; E14-R16 PolarHBondContact O-N 2.95Å; E14-R16 VanDerWaalsContact O-N 3.13Å; E14-L17 PolarHBondContact O-N 3.13Å |
| 15 | R | 55.6 | Low | 59 | Low | 175 Ų | 175 | 137.7 Ų | 137.7 | 66% | 0.66 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -63.6 | -18.6 | 174.1 | -69.6 | 178.2 | -163.5 | -150.2 | 2.9 | 113.6 | D11 F13 | D11-R15 VanDerWaalsContact O-CD 3.24Å; D11-R15 WeakPolarHBondContact O-CD 3.17Å; D11-R15 WeakPolarHBondContact O-CG 3.24Å; D11-R15 PolarHBondContact O-NE 3.44Å; D11-R15 IonicContact OD1-CZ 2.67Å; D11-R15 IonicContact OD1-NE 3.44Å; D11-R15 PolarHBondContact OD1-NE 3.43Å; D11-R15 IonicContact OD1-NH2 3.15Å; D11-R15 PolarHBondContact OD1-NH2 2.96Å; F13-R15 VanDerWaalsContact C-N 3.33Å; F13-R15 PolarHBondContact O-N 2.98Å |
| 16 | R | 55.6 | Low | 59.3 | Low | 213 Ų | 213 | 135.4 Ų | 135.4 | 80% | 0.804 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -88.6 | -16 | 171.5 | -78 | 178.6 | 160.3 | 133.4 | -6.5 | 113.8 | F13 E14 | F13-R16 WeakPolarHBondContact O-CA 3.39Å; F13-R16 WeakPolarHBondContact O-CB 3.49Å; F13-R16 PolarHBondContact O-N 3.36Å; E14-R16 PolarHBondContact O-N 2.95Å; E14-R16 VanDerWaalsContact O-N 3.13Å |
| 17 | L | 59.6 | Low | 59.3 | Low | 101 Ų | 101 | 133 Ų | 133 | 53% | 0.529 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -90.6 | -7.2 | -178.2 | -96.1 | 161.7 | 0 | 0 | 0 | 114.9 | F13 E14 Q19 | F13-L17 HydrophobicContact CD1-CD1 3.94Å; F13-L17 HydrophobicContact CE1-CD1 4.04Å; F13-L17 PolarHBondContact O-N 3.34Å; E14-L17 PolarHBondContact O-N 3.13Å; L17-Q19 PolarHBondContact O-N 2.7Å |
| 18 | R | 57.7 | Low | 59.6 | Low | 198 Ų | 198 | 135.4 Ų | 135.4 | 75% | 0.747 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -51.8 | 119.8 | 167.2 | -72.8 | -174.2 | 173.8 | -178.1 | -2.2 | 109.3 | V20 | R18-V20 PolarHBondContact O-N 3.06Š|
| 19 | Q | 63.1 | Low | 59.4 | Low | 197 Ų | 197 | 136.2 Ų | 136.2 | 92% | 0.921 | 65% | 0.649 | S | S | * | * | trans | -64.3 | 82.3 | 178.1 | -70.7 | -167.6 | 0.3 | 0 | 0 | 111.1 | L17 S21 | L17-Q19 PolarHBondContact O-N 2.7Å; Q19-S21 PolarHBondContact O-N 3.08Å; Q19-S21 VanDerWaalsContact O-N 3.08Å | ||
| 20 | V | 64.6 | Low | 59.3 | Low | 72 Ų | 72 | 135.9 Ų | 135.9 | 44% | 0.436 | 65% | 0.65 | S | S | . | * | trans | -65.6 | 107.7 | 164.8 | -176.9 | 0 | 0 | 0 | 0 | 105.7 | R18 R24 R25 | R18-V20 PolarHBondContact O-N 3.06Å; V20-R24 HydrophobicContact CG1-CB 3.32Å; V20-R25 HydrophobicContact CB-CG 3.91Å; V20-R25 HydrophobicContact CG1-CG 3.67Å; V20-R25 WeakPolarHBondContact O-CD 3.49Å | ||
| 21 | S | 63.6 | Low | 59 | Low | 64 Ų | 64 | 136.4 Ų | 136.4 | 45% | 0.448 | 66% | 0.661 | S | S | . | * | trans | -50.2 | 148.8 | 178.6 | 71.1 | 0 | 0 | 0 | 0 | 110.2 | Q19 K23 R24 R25 | Q19-S21 PolarHBondContact O-N 3.08Å; Q19-S21 VanDerWaalsContact O-N 3.08Å; S21-K23 PolarHBondContact O-N 2.98Å; S21-R24 WeakPolarHBondContact O-CA 3.41Å; S21-R24 PolarHBondContact O-N 3.49Å; S21-R25 PolarHBondContact O-N 3.08Å; S21-R25 VanDerWaalsContact O-N 3.08Å | ||
| 22 | V | 64.6 | Low | 58.9 | Low | 107 Ų | 107 | 136.8 Ų | 136.8 | 65% | 0.648 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -52.7 | -32.9 | -177.6 | -178 | 0 | 0 | 0 | 0 | 111.1 | R24 R25 L26 | V22-R24 VanDerWaalsContact C-N 3.31Å; V22-R24 PolarHBondContact O-N 3.24Å; V22-R25 PolarHBondContact O-N 3.41Å; V22-L26 HydrophobicContact CG1-CD1 4.02Å; V22-L26 HydrophobicContact CG1-CG 4.49Å; V22-L26 WeakPolarHBondContact O-CB 3.49Å; V22-L26 WeakPolarHBondContact O-CG 3.44Å; V22-L26 PolarHBondContact O-N 3.2Å |
| 23 | K | 66.2 | Low | 58.6 | Low | 184 Ų | 184 | 138 Ų | 138 | 80% | 0.8 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -68.7 | -15.8 | 175.2 | -162.8 | 168 | -174.9 | 173.8 | 0 | 115.7 | S21 | S21-K23 PolarHBondContact O-N 2.98Å |
| 24 | R | 66.4 | Low | 58.7 | Low | 202 Ų | 202 | 138.1 Ų | 138.1 | 76% | 0.762 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -99.9 | -21 | 168.1 | -77.5 | -174 | 177.6 | -168.8 | 0.9 | 112.9 | V20 S21 V22 | V20-R24 HydrophobicContact CG1-CB 3.32Å; S21-R24 WeakPolarHBondContact O-CA 3.41Å; S21-R24 PolarHBondContact O-N 3.49Å; V22-R24 VanDerWaalsContact C-N 3.31Å; V22-R24 PolarHBondContact O-N 3.24Å |
| 25 | R | 61.6 | Low | 58.5 | Low | 200 Ų | 200 | 138.4 Ų | 138.4 | 76% | 0.755 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -78.4 | -38 | 172 | -66.7 | -178.5 | 67.2 | -174.1 | 0.8 | 112 | V20 S21 V22 G27 | V20-R25 HydrophobicContact CB-CG 3.91Å; V20-R25 HydrophobicContact CG1-CG 3.67Å; V20-R25 WeakPolarHBondContact O-CD 3.49Å; S21-R25 PolarHBondContact O-N 3.08Å; S21-R25 VanDerWaalsContact O-N 3.08Å; V22-R25 PolarHBondContact O-N 3.41Å; R25-G27 PolarHBondContact O-N 2.99Å; R25-G27 VanDerWaalsContact O-N 3.16Å |
| 26 | L | 63 | Low | 58.6 | Low | 120 Ų | 120 | 133.9 Ų | 133.9 | 63% | 0.628 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -63.4 | 109.8 | 160.4 | -74.5 | 161.6 | 0 | 0 | 0 | 107.2 | V22 K28 | V22-L26 HydrophobicContact CG1-CD1 4.02Å; V22-L26 HydrophobicContact CG1-CG 4.49Å; V22-L26 WeakPolarHBondContact O-CB 3.49Å; V22-L26 WeakPolarHBondContact O-CG 3.44Å; V22-L26 PolarHBondContact O-N 3.2Å; L26-K28 PolarHBondContact O-N 2.76Å |
| 27 | G | 57.9 | Low | 58.8 | Low | 59 Ų | 59 | 134.6 Ų | 134.6 | 61% | 0.608 | 71% | 0.711 | S | S | * | * | trans | -53.1 | 134.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | R25 T29 | R25-G27 PolarHBondContact O-N 2.99Å; R25-G27 VanDerWaalsContact O-N 3.16Å; G27-T29 PolarHBondContact O-N 3.37Å | ||
| 28 | K | 61.8 | Low | 58.8 | Low | 176 Ų | 176 | 135 Ų | 135 | 77% | 0.765 | 71% | 0.713 | S | S | * | * | trans | -54.3 | 116.9 | 168.7 | -70.1 | 179.2 | 177.4 | 179.9 | 0 | 107.3 | L26 N30 | L26-K28 PolarHBondContact O-N 2.76Å; K28-N30 PolarHBondContact O-N 3.16Å | ||
| 29 | T | 55.8 | Low | 59.1 | Low | 125 Ų | 125 | 129.3 Ų | 129.3 | 77% | 0.767 | 70% | 0.698 | S | S | * | * | trans | -71.2 | 76.1 | 169.2 | 52.9 | 0 | 0 | 0 | 0 | 108.1 | G27 S31 | G27-T29 PolarHBondContact O-N 3.37Å; T29-S31 PolarHBondContact O-N 2.84Å | ||
| 30 | N | 53.8 | Low | 59.2 | Low | 128 Ų | 128 | 126.4 Ų | 126.4 | 68% | 0.684 | 69% | 0.688 | S | S | * | * | trans | -63.7 | 93.8 | 167.7 | -73.4 | -8.9 | 0 | 0 | 0 | 106.4 | K28 S32 | K28-N30 PolarHBondContact O-N 3.16Å; N30-S32 PolarHBondContact O-N 3.18Å | ||
| 31 | S | 48.1 | Very low | 59.3 | Low | 107 Ų | 107 | 131.3 Ų | 131.3 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | trans | -68.8 | 85 | 175.7 | -171.4 | 0 | 0 | 0 | 0 | 108.2 | T29 | T29-S31 PolarHBondContact O-N 2.84Š| ||
| 32 | S | 51.6 | Low | 59.3 | Low | 94 Ų | 94 | 131.8 Ų | 131.8 | 66% | 0.657 | 70% | 0.696 | S | S | * | * | trans | -151 | 88.6 | -177.7 | -67 | 0 | 0 | 0 | 0 | 110.1 | N30 I34 | N30-S32 PolarHBondContact O-N 3.18Å; S32-I34 PolarHBondContact O-N 2.85Å | ||
| 33 | A | 49.7 | Very low | 59.1 | Low | 107 Ų | 107 | 132.4 Ų | 132.4 | 88% | 0.884 | 69% | 0.69 | S | S | * | * | trans | 26.7 | 77.6 | 143.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 34 | I | 55.9 | Low | 58.8 | Low | 143 Ų | 143 | 129.4 Ų | 129.4 | 73% | 0.733 | 68% | 0.683 | S | S | * | * | trans | -128.8 | 117.3 | 156.8 | -61.4 | -178.7 | 0 | 0 | 0 | 108.9 | S32 | S32-I34 PolarHBondContact O-N 2.85Š| ||
| 35 | N | 53.3 | Low | 58.5 | Low | 134 Ų | 134 | 125.1 Ų | 125.1 | 72% | 0.717 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 58.3 | 74.7 | 163.1 | -59.2 | -10 | 0 | 0 | 0 | 118.2 | R37 | N35-R37 PolarHBondContact O-N 3.37Š|
| 36 | G | 56.9 | Low | 58.2 | Low | 81 Ų | 81 | 121.3 Ų | 121.3 | 84% | 0.835 | 67% | 0.669 | S | S | * | * | S | Bend | trans | 66.9 | -13.2 | 144.5 | 0 | 0 | 0 | 0 | 0 | 119 | N38 | G36-N38 PolarHBondContact O-N 3.01Š|
| 37 | R | 58.8 | Low | 57.8 | Low | 228 Ų | 228 | 118.8 Ų | 118.8 | 86% | 0.86 | 66% | 0.658 | S | S | * | * | trans | -92.7 | 82.4 | -179.9 | -66.6 | -175.8 | 177.1 | 102.9 | -3.4 | 109.4 | N35 D39 | N35-R37 PolarHBondContact O-N 3.37Å; R37-D39 PolarHBondContact O-N 3.02Å | ||
| 38 | N | 61.2 | Low | 57.8 | Low | 108 Ų | 108 | 121.6 Ų | 121.6 | 58% | 0.578 | 66% | 0.663 | S | S | * | * | trans | -53.5 | 115.4 | 169 | -72 | -19.1 | 0 | 0 | 0 | 109.2 | G36 L40 | G36-N38 PolarHBondContact O-N 3.01Å; N38-L40 PolarHBondContact O-N 2.83Å | ||
| 39 | D | 63.3 | Low | 57.7 | Low | 80 Ų | 80 | 124.2 Ų | 124.2 | 43% | 0.428 | 67% | 0.669 | S | S | . | * | trans | -45.3 | 136.4 | 173.9 | -177.2 | -10.6 | 0 | 0 | 0 | 109.7 | R37 R41 N42 K43 | R37-D39 PolarHBondContact O-N 3.02Å; D39-R41 PolarHBondContact O-N 3.49Å; D39-R41 VanDerWaalsContact O-N 3.16Å; D39-R41 WeakPolarHBondContact OD1-CB 3.1Å; D39-R41 PolarHBondContact OD1-N 2.77Å; D39-N42 HydrophobicContact CB-CB 4.45Å; D39-N42 WeakPolarHBondContact O-CA 3.34Å; D39-N42 WeakPolarHBondContact O-CB 3.49Å; D39-N42 PolarHBondContact O-N 2.87Å; D39-K43 PolarHBondContact O-N 2.99Å | ||
| 40 | L | 66.3 | Low | 58.1 | Low | 136 Ų | 136 | 122.2 Ų | 122.2 | 71% | 0.712 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -54.9 | -30.9 | 175 | -76.8 | 136 | 0 | 0 | 0 | 111.4 | N38 N42 K43 L44 | N38-L40 PolarHBondContact O-N 2.83Å; L40-N42 PolarHBondContact O-N 2.95Å; L40-K43 PolarHBondContact O-N 3.2Å; L40-L44 PolarHBondContact O-N 3.43Å; L40-L44 VanDerWaalsContact O-N 3.16Å |
| 41 | R | 65.3 | Low | 58.8 | Low | 175 Ų | 175 | 119.5 Ų | 119.5 | 66% | 0.66 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -61.5 | -39.7 | 171.1 | -65.1 | 175.2 | 166.5 | 175.3 | -3.6 | 112.8 | D39 L44 N45 | D39-R41 PolarHBondContact O-N 3.49Å; D39-R41 VanDerWaalsContact O-N 3.16Å; D39-R41 WeakPolarHBondContact OD1-CB 3.1Å; D39-R41 PolarHBondContact OD1-N 2.77Å; R41-L44 PolarHBondContact O-N 2.85Å; R41-N45 PolarHBondContact O-N 3.16Å |
| 42 | N | 63.3 | Low | 59.7 | Low | 73 Ų | 73 | 119.3 Ų | 119.3 | 39% | 0.39 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -72.9 | -32.3 | 176.9 | -68.7 | -12.1 | 0 | 0 | 0 | 111.7 | D39 L40 N45 L46 | D39-N42 HydrophobicContact CB-CB 4.45Å; D39-N42 WeakPolarHBondContact O-CA 3.34Å; D39-N42 WeakPolarHBondContact O-CB 3.49Å; D39-N42 PolarHBondContact O-N 2.87Å; L40-N42 PolarHBondContact O-N 2.95Å; N42-N45 PolarHBondContact O-N 3.02Å; N42-L46 PolarHBondContact O-N 3.42Å |
| 43 | K | 60.9 | Low | 60.9 | Low | 121 Ų | 121 | 118.2 Ų | 118.2 | 53% | 0.526 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -62.1 | -41.2 | 172.7 | -74.6 | -178.1 | 174.1 | 179.6 | 0 | 112.2 | D39 L40 N45 L46 T47 | D39-K43 PolarHBondContact O-N 2.99Å; L40-K43 PolarHBondContact O-N 3.2Å; K43-N45 VanDerWaalsContact C-N 3.26Å; K43-N45 PolarHBondContact O-N 3.45Å; K43-L46 PolarHBondContact O-N 3.14Å; K43-T47 PolarHBondContact O-N 3.43Å; K43-T47 PolarHBondContact O-OG1 3.08Å |
| 44 | L | 60.9 | Low | 62 | Low | 121 Ų | 121 | 123.2 Ų | 123.2 | 63% | 0.634 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.9 | -26.7 | 176.2 | -67.7 | 172.5 | 0 | 0 | 0 | 113.6 | L40 R41 T47 | L40-L44 PolarHBondContact O-N 3.43Å; L40-L44 VanDerWaalsContact O-N 3.16Å; R41-L44 PolarHBondContact O-N 2.85Å; L44-T47 VanDerWaalsContact C-OG1 3.29Å; L44-T47 WeakPolarHBondContact CA-OG1 3.32Å; L44-T47 PolarHBondContact O-OG1 2.9Å |
| 45 | N | 58.9 | Low | 62.9 | Low | 112 Ų | 112 | 119.5 Ų | 119.5 | 60% | 0.599 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -84.4 | -29.1 | 173.9 | -70.5 | -24.7 | 0 | 0 | 0 | 112.7 | R41 N42 K43 V48 | R41-N45 PolarHBondContact O-N 3.16Å; N42-N45 PolarHBondContact O-N 3.02Å; K43-N45 VanDerWaalsContact C-N 3.26Å; K43-N45 PolarHBondContact O-N 3.45Å; N45-V48 WeakPolarHBondContact O-CB 3.44Å; N45-V48 PolarHBondContact O-N 3.26Å |
| 46 | L | 56.4 | Low | 64 | Low | 120 Ų | 120 | 117.8 Ų | 117.8 | 63% | 0.628 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69.1 | -34.8 | 171.2 | -104.6 | 73.6 | 0 | 0 | 0 | 112.3 | N42 K43 V48 R49 | N42-L46 PolarHBondContact O-N 3.42Å; K43-L46 PolarHBondContact O-N 3.14Å; L46-V48 PolarHBondContact O-N 2.97Å; L46-V48 VanDerWaalsContact O-N 3.13Å; L46-R49 PolarHBondContact O-N 3.3Å |
| 47 | T | 54 | Low | 64.7 | Low | 66 Ų | 66 | 119 Ų | 119 | 41% | 0.405 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62 | -17.8 | 176.4 | 41.3 | 0 | 0 | 0 | 0 | 113.6 | K43 L44 R49 T50 | K43-T47 PolarHBondContact O-N 3.43Å; K43-T47 PolarHBondContact O-OG1 3.08Å; L44-T47 VanDerWaalsContact C-OG1 3.29Å; L44-T47 WeakPolarHBondContact CA-OG1 3.32Å; L44-T47 PolarHBondContact O-OG1 2.9Å; T47-R49 PolarHBondContact O-N 3.19Å; T47-T50 WeakPolarHBondContact CA-OG1 3.44Å; T47-T50 PolarHBondContact O-N 3.29Å; T47-T50 PolarHBondContact O-OG1 3.47Å |
| 48 | V | 56.6 | Low | 65.5 | Low | 119 Ų | 119 | 116.8 Ų | 116.8 | 72% | 0.721 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -24.3 | 172.7 | -175.1 | 0 | 0 | 0 | 0 | 112.2 | N45 L46 | N45-V48 WeakPolarHBondContact O-CB 3.44Å; N45-V48 PolarHBondContact O-N 3.26Å; L46-V48 PolarHBondContact O-N 2.97Å; L46-V48 VanDerWaalsContact O-N 3.13Å |
| 49 | R | 60.4 | Low | 65.9 | Low | 231 Ų | 231 | 116.1 Ų | 116.1 | 87% | 0.872 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -21.8 | 176.4 | -71.3 | -168.4 | 172.9 | -159.4 | -1.8 | 114 | L46 T47 | L46-R49 PolarHBondContact O-N 3.3Å; T47-R49 PolarHBondContact O-N 3.19Å |
| 50 | T | 64.9 | Low | 65.9 | Low | 82 Ų | 82 | 120 Ų | 120 | 50% | 0.503 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -89.7 | 120.5 | 171.7 | 49 | 0 | 0 | 0 | 0 | 109 | T47 D52 | T47-T50 WeakPolarHBondContact CA-OG1 3.44Å; T47-T50 PolarHBondContact O-N 3.29Å; T47-T50 PolarHBondContact O-OG1 3.47Å; T50-D52 PolarHBondContact O-N 2.99Å |
| 51 | P | 68.7 | Low | 65.6 | Low | 71 Ų | 71 | 117.6 Ų | 117.6 | 46% | 0.461 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 117 | 174.1 | 25.5 | -33.7 | 0 | 0 | 0 | 109.3 | T55 L56 | P51-T55 HydrophobicContact CB-CG2 3.93Å; P51-L56 HydrophobicContact CB-CD2 4.22Å; P51-L56 HydrophobicContact CB-CG 4.21Å; P51-L56 HydrophobicContact CG-CD2 3.76Å; P51-L56 HydrophobicContact CG-CG 4.1Å; P51-L56 WeakPolarHBondContact O-CD1 3.33Å; P51-L56 WeakPolarHBondContact O-CG 3.5Å |
| 52 | D | 66.6 | Low | 65.3 | Low | 104 Ų | 104 | 118.8 Ų | 118.8 | 56% | 0.556 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -48 | 153.7 | 176.4 | -89.8 | -27.5 | 0 | 0 | 0 | 111.8 | T50 R54 T55 L56 | T50-D52 PolarHBondContact O-N 2.99Å; D52-R54 PolarHBondContact O-N 2.96Å; D52-T55 WeakPolarHBondContact O-CA 3.37Å; D52-T55 WeakPolarHBondContact O-CB 3.19Å; D52-T55 PolarHBondContact O-N 3.3Å; D52-L56 PolarHBondContact O-N 3.22Å |
| 53 | A | 76.3 | Confident | 65.1 | Low | 70 Ų | 70 | 122.9 Ų | 122.9 | 58% | 0.579 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -50 | -34.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L57 | A53-L57 VanDerWaalsContact O-CB 3.28Å; A53-L57 WeakPolarHBondContact O-CB 3.18Å; A53-L57 WeakPolarHBondContact O-CD1 3.42Å; A53-L57 WeakPolarHBondContact O-CG 3.46Å; A53-L57 PolarHBondContact O-N 3.43Å |
| 54 | R | 73.8 | Confident | 64.9 | Low | 213 Ų | 213 | 122.9 Ų | 122.9 | 80% | 0.804 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.5 | -41.3 | 173.8 | -170.3 | 174.5 | -176.2 | 162.9 | 1.2 | 113.2 | D52 R58 | D52-R54 PolarHBondContact O-N 2.96Å; R54-R58 WeakPolarHBondContact O-CB 3.44Å; R54-R58 PolarHBondContact O-N 2.93Å; R54-R58 VanDerWaalsContact O-N 3.07Å |
| 55 | T | 75.1 | Confident | 64.6 | Low | 65 Ų | 65 | 124 Ų | 124 | 40% | 0.399 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -71 | -43.8 | 176.8 | -56 | 0 | 0 | 0 | 0 | 110.9 | P51 D52 L57 R58 N59 | P51-T55 HydrophobicContact CB-CG2 3.93Å; D52-T55 WeakPolarHBondContact O-CA 3.37Å; D52-T55 WeakPolarHBondContact O-CB 3.19Å; D52-T55 PolarHBondContact O-N 3.3Å; T55-L57 PolarHBondContact O-N 3.2Å; T55-R58 PolarHBondContact O-N 2.98Å; T55-N59 PolarHBondContact O-N 3.44Å |
| 56 | L | 76.3 | Confident | 64.6 | Low | 98 Ų | 98 | 123.5 Ų | 123.5 | 51% | 0.513 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -58.9 | -46.3 | 173.9 | -71.1 | 172.8 | 0 | 0 | 0 | 111.9 | P51 D52 R58 N59 R60 | P51-L56 HydrophobicContact CB-CD2 4.22Å; P51-L56 HydrophobicContact CB-CG 4.21Å; P51-L56 HydrophobicContact CG-CD2 3.76Å; P51-L56 HydrophobicContact CG-CG 4.1Å; P51-L56 WeakPolarHBondContact O-CD1 3.33Å; P51-L56 WeakPolarHBondContact O-CG 3.5Å; D52-L56 PolarHBondContact O-N 3.22Å; L56-R58 PolarHBondContact O-N 2.64Å; L56-N59 PolarHBondContact O-N 3.45Å; L56-R60 VanDerWaalsContact O-CB 3.28Å; L56-R60 WeakPolarHBondContact O-CB 3.37Å; L56-R60 PolarHBondContact O-N 3.47Å |
| 57 | L | 71.5 | Confident | 64.7 | Low | 107 Ų | 107 | 123 Ų | 123 | 56% | 0.56 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -63.8 | -39.5 | 176.9 | -74.1 | 166.6 | 0 | 0 | 0 | 112.3 | A53 T55 R60 T61 | A53-L57 VanDerWaalsContact O-CB 3.28Å; A53-L57 WeakPolarHBondContact O-CB 3.18Å; A53-L57 WeakPolarHBondContact O-CD1 3.42Å; A53-L57 WeakPolarHBondContact O-CG 3.46Å; A53-L57 PolarHBondContact O-N 3.43Å; T55-L57 PolarHBondContact O-N 3.2Å; L57-R60 PolarHBondContact O-N 2.66Å; L57-T61 PolarHBondContact O-N 2.67Å; L57-T61 PolarHBondContact O-OG1 3.36Å |
| 58 | R | 74.9 | Confident | 64.8 | Low | 181 Ų | 181 | 127 Ų | 127 | 68% | 0.683 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.3 | -34.4 | 178.7 | -161.8 | 177.8 | -167.1 | -174.2 | 2.8 | 112.9 | R54 T55 L56 T61 R62 | R54-R58 WeakPolarHBondContact O-CB 3.44Å; R54-R58 PolarHBondContact O-N 2.93Å; R54-R58 VanDerWaalsContact O-N 3.07Å; T55-R58 PolarHBondContact O-N 2.98Å; L56-R58 PolarHBondContact O-N 2.64Å; R58-T61 PolarHBondContact O-OG1 2.85Å; R58-T61 VanDerWaalsContact O-OG1 3.1Å; R58-R62 PolarHBondContact O-N 3.13Å |
| 59 | N | 69 | Low | 64.9 | Low | 94 Ų | 94 | 132 Ų | 132 | 50% | 0.503 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -72 | -38.5 | 171.9 | -70.9 | -6.8 | 0 | 0 | 0 | 111 | T55 L56 T61 R62 Q63 | T55-N59 PolarHBondContact O-N 3.44Å; L56-N59 PolarHBondContact O-N 3.45Å; N59-T61 PolarHBondContact O-N 3.19Å; N59-R62 PolarHBondContact O-N 3.48Å; N59-Q63 WeakPolarHBondContact O-CG 3.36Å; N59-Q63 PolarHBondContact O-N 2.74Å; N59-Q63 VanDerWaalsContact O-N 3.1Å |
| 60 | R | 62.9 | Low | 64.8 | Low | 161 Ų | 161 | 124.9 Ų | 124.9 | 61% | 0.608 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.8 | -31.3 | 178.5 | -164.6 | 173.1 | -177.9 | -178.3 | -0.1 | 113.3 | L56 L57 R64 | L56-R60 VanDerWaalsContact O-CB 3.28Å; L56-R60 WeakPolarHBondContact O-CB 3.37Å; L56-R60 PolarHBondContact O-N 3.47Å; L57-R60 PolarHBondContact O-N 2.66Å; R60-R64 VanDerWaalsContact O-CG 3.31Å; R60-R64 WeakPolarHBondContact O-CG 3.39Å; R60-R64 PolarHBondContact O-N 3.07Å |
| 61 | T | 60.7 | Low | 64.7 | Low | 85 Ų | 85 | 124.1 Ų | 124.1 | 52% | 0.521 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -73.4 | -37.3 | 172 | 49.9 | 0 | 0 | 0 | 0 | 112.5 | L57 R58 N59 Q63 R64 N65 | L57-T61 PolarHBondContact O-N 2.67Å; L57-T61 PolarHBondContact O-OG1 3.36Å; R58-T61 PolarHBondContact O-OG1 2.85Å; R58-T61 VanDerWaalsContact O-OG1 3.1Å; N59-T61 PolarHBondContact O-N 3.19Å; T61-Q63 VanDerWaalsContact C-N 3.31Å; T61-Q63 PolarHBondContact O-N 3.26Å; T61-R64 PolarHBondContact O-N 3.28Å; T61-N65 PolarHBondContact O-OD1 2.99Å |
| 62 | R | 60.1 | Low | 64.5 | Low | 200 Ų | 200 | 129.6 Ų | 129.6 | 76% | 0.755 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -60.4 | -39.2 | 172.5 | -75.8 | -172.1 | 168.6 | -153.4 | -4.1 | 112.7 | R58 N59 | R58-R62 PolarHBondContact O-N 3.13Å; N59-R62 PolarHBondContact O-N 3.48Å |
| 63 | Q | 59.1 | Low | 64.5 | Low | 160 Ų | 160 | 129.8 Ų | 129.8 | 75% | 0.748 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -72.1 | -25.1 | 179.5 | -74 | -98.9 | -28.5 | 0 | 0 | 114.3 | N59 T61 | N59-Q63 WeakPolarHBondContact O-CG 3.36Å; N59-Q63 PolarHBondContact O-N 2.74Å; N59-Q63 VanDerWaalsContact O-N 3.1Å; T61-Q63 VanDerWaalsContact C-N 3.31Å; T61-Q63 PolarHBondContact O-N 3.26Å |
| 64 | R | 54.9 | Low | 63.9 | Low | 121 Ų | 121 | 129.3 Ų | 129.3 | 46% | 0.457 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -88.2 | -5 | -175 | -71.8 | -178 | 84.4 | 160.4 | 7.8 | 115 | R60 T61 S66 F68 | R60-R64 VanDerWaalsContact O-CG 3.31Å; R60-R64 WeakPolarHBondContact O-CG 3.39Å; R60-R64 PolarHBondContact O-N 3.07Å; T61-R64 PolarHBondContact O-N 3.28Å; R64-S66 VanDerWaalsContact C-N 3.27Å; R64-S66 PolarHBondContact O-N 3.07Å; R64-F68 VanDerWaalsContact NH2-CZ 3.34Å |
| 65 | N | 55.9 | Low | 63.2 | Low | 144 Ų | 144 | 124.3 Ų | 124.3 | 77% | 0.77 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 2.3 | -175 | -76.2 | 2.8 | 0 | 0 | 0 | 115.1 | T61 | T61-N65 PolarHBondContact O-OD1 2.99Š|
| 66 | S | 57.6 | Low | 62.6 | Low | 102 Ų | 102 | 130.8 Ų | 130.8 | 71% | 0.713 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | -14.3 | -177.8 | 55.7 | 0 | 0 | 0 | 0 | 115.7 | R64 | R64-S66 VanDerWaalsContact C-N 3.27Å; R64-S66 PolarHBondContact O-N 3.07Å |
| 67 | T | 59.3 | Low | 61.8 | Low | 109 Ų | 109 | 130 Ų | 130 | 67% | 0.669 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.8 | -16.9 | -168.8 | 54.7 | 0 | 0 | 0 | 0 | 116.2 | R69 | T67-R69 PolarHBondContact O-N 3.5Å; T67-R69 VanDerWaalsContact O-N 3.16Å |
| 68 | F | 55.3 | Low | 61.2 | Low | 149 Ų | 149 | 133.8 Ų | 133.8 | 65% | 0.654 | 63% | 0.627 | S | S | * | * | trans | -81.2 | 99.8 | 177.5 | -94.3 | -97.9 | 0 | 0 | 0 | 111.2 | R64 D70 | R64-F68 VanDerWaalsContact NH2-CZ 3.34Å; F68-D70 PolarHBondContact O-N 3.26Å | ||
| 69 | R | 58.7 | Low | 60.4 | Low | 224 Ų | 224 | 132 Ų | 132 | 85% | 0.845 | 63% | 0.63 | S | S | * | * | trans | -52.8 | 112.8 | 163.3 | -73.2 | -180 | 173.5 | 170.9 | -2 | 108.6 | T67 A71 V74 | T67-R69 PolarHBondContact O-N 3.5Å; T67-R69 VanDerWaalsContact O-N 3.16Å; R69-A71 PolarHBondContact O-N 3.16Å; R69-V74 HydrophobicContact CB-CG2 4.47Å | ||
| 70 | D | 59.4 | Low | 60.1 | Low | 82 Ų | 82 | 132.7 Ų | 132.7 | 44% | 0.439 | 63% | 0.633 | S | S | . | * | trans | -54 | 125.2 | -179.8 | -173.2 | -15 | 0 | 0 | 0 | 109.9 | F68 R72 N73 V74 | F68-D70 PolarHBondContact O-N 3.26Å; D70-R72 PolarHBondContact O-N 3.43Å; D70-R72 VanDerWaalsContact O-N 3.09Å; D70-R72 WeakPolarHBondContact OD1-CB 3.24Å; D70-R72 WeakPolarHBondContact OD1-CG 3.2Å; D70-R72 PolarHBondContact OD1-N 3.35Å; D70-N73 PolarHBondContact O-N 3.47Å; D70-V74 PolarHBondContact O-N 2.86Å | ||
| 71 | A | 63.6 | Low | 59.6 | Low | 67 Ų | 67 | 130.9 Ų | 130.9 | 55% | 0.554 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -57.4 | -25.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | R69 V74 L75 | R69-A71 PolarHBondContact O-N 3.16Å; A71-V74 PolarHBondContact O-N 3.47Å; A71-L75 WeakPolarHBondContact O-CG 3.4Å; A71-L75 PolarHBondContact O-N 3.49Å |
| 72 | R | 63 | Low | 59.4 | Low | 186 Ų | 186 | 133.7 Ų | 133.7 | 70% | 0.702 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -63.8 | -36.4 | 172.5 | -67.4 | 174.2 | 169.7 | 153.3 | -3.8 | 112.8 | D70 R76 | D70-R72 PolarHBondContact O-N 3.43Å; D70-R72 VanDerWaalsContact O-N 3.09Å; D70-R72 WeakPolarHBondContact OD1-CB 3.24Å; D70-R72 WeakPolarHBondContact OD1-CG 3.2Å; D70-R72 PolarHBondContact OD1-N 3.35Å; R72-R76 WeakPolarHBondContact O-CG 3.37Å; R72-R76 PolarHBondContact O-N 2.81Å; R72-R76 VanDerWaalsContact O-N 3.08Å |
| 73 | N | 66.2 | Low | 59.1 | Low | 108 Ų | 108 | 129.3 Ų | 129.3 | 58% | 0.578 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -75.2 | -35.9 | 175.9 | -77.9 | -1.7 | 0 | 0 | 0 | 111.9 | D70 L75 R76 S77 | D70-N73 PolarHBondContact O-N 3.47Å; N73-L75 VanDerWaalsContact C-N 3.3Å; N73-L75 PolarHBondContact O-N 3.09Å; N73-R76 PolarHBondContact O-N 2.74Å; N73-S77 PolarHBondContact O-N 3.23Å; N73-S77 VanDerWaalsContact O-N 3.08Å |
| 74 | V | 64.7 | Low | 58.4 | Low | 59 Ų | 59 | 132.8 Ų | 132.8 | 36% | 0.358 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -65 | -33.4 | 175 | -178.4 | 0 | 0 | 0 | 0 | 112 | R69 D70 A71 S77 | R69-V74 HydrophobicContact CB-CG2 4.47Å; D70-V74 PolarHBondContact O-N 2.86Å; A71-V74 PolarHBondContact O-N 3.47Å; V74-S77 PolarHBondContact O-OG 2.79Å |
| 75 | L | 59.6 | Low | 58.3 | Low | 109 Ų | 109 | 138.5 Ų | 138.5 | 57% | 0.571 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -77 | -34.8 | 173.9 | -73.7 | 164.7 | 0 | 0 | 0 | 112.5 | A71 N73 R78 | A71-L75 WeakPolarHBondContact O-CG 3.4Å; A71-L75 PolarHBondContact O-N 3.49Å; N73-L75 VanDerWaalsContact C-N 3.3Å; N73-L75 PolarHBondContact O-N 3.09Å; L75-R78 PolarHBondContact O-N 2.96Å |
| 76 | R | 61.9 | Low | 58.1 | Low | 200 Ų | 200 | 138.3 Ų | 138.3 | 76% | 0.755 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -64.5 | -38.9 | 175.1 | -79.5 | 177.4 | 175.1 | -124.2 | -1.1 | 112.8 | R72 N73 R78 N79 | R72-R76 WeakPolarHBondContact O-CG 3.37Å; R72-R76 PolarHBondContact O-N 2.81Å; R72-R76 VanDerWaalsContact O-N 3.08Å; N73-R76 PolarHBondContact O-N 2.74Å; R76-R78 PolarHBondContact O-N 2.85Å; R76-N79 PolarHBondContact O-N 2.87Å |
| 77 | S | 59.9 | Low | 58 | Low | 82 Ų | 82 | 138.4 Ų | 138.4 | 57% | 0.573 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -10.7 | 178.7 | 75.3 | 0 | 0 | 0 | 0 | 114.6 | N73 V74 | N73-S77 PolarHBondContact O-N 3.23Å; N73-S77 VanDerWaalsContact O-N 3.08Å; V74-S77 PolarHBondContact O-OG 2.79Å |
| 78 | R | 58.3 | Low | 57.9 | Low | 187 Ų | 187 | 145 Ų | 145 | 71% | 0.706 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -8.4 | 179.1 | -76.5 | 177.9 | 172.1 | 169 | -1.8 | 114.4 | L75 R76 I80 | L75-R78 PolarHBondContact O-N 2.96Å; R76-R78 PolarHBondContact O-N 2.85Å; R78-I80 VanDerWaalsContact C-N 3.31Å; R78-I80 PolarHBondContact O-N 3.13Å |
| 79 | N | 58.4 | Low | 58 | Low | 143 Ų | 143 | 142.8 Ų | 142.8 | 77% | 0.765 | 68% | 0.683 | S | S | * | * | trans | -89.7 | 16.1 | -179.5 | -98.2 | -51.3 | 0 | 0 | 0 | 114.3 | R76 P81 | R76-N79 PolarHBondContact O-N 2.87Å; N79-P81 WeakPolarHBondContact O-CD 3.49Å | ||
| 80 | I | 61.5 | Low | 58 | Low | 108 Ų | 108 | 137.3 Ų | 137.3 | 55% | 0.554 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -85.7 | 116.3 | 169.8 | -57.4 | 172.7 | 0 | 0 | 0 | 107.5 | R78 Q82 | R78-I80 VanDerWaalsContact C-N 3.31Å; R78-I80 PolarHBondContact O-N 3.13Å; I80-Q82 PolarHBondContact O-N 3.1Å |
| 81 | P | 53.5 | Low | 57.7 | Low | 124 Ų | 124 | 142.9 Ų | 142.9 | 81% | 0.805 | 70% | 0.697 | S | S | * | * | trans | -72.9 | 90 | -179 | 29.6 | -33.8 | 0 | 0 | 0 | 110.3 | N79 | N79-P81 WeakPolarHBondContact O-CD 3.49Š| ||
| 82 | Q | 56 | Low | 57.2 | Low | 144 Ų | 144 | 148.8 Ų | 148.8 | 67% | 0.673 | 71% | 0.71 | S | S | * | * | trans | -76.3 | 130.7 | 174.6 | -69.4 | -66 | -15.7 | 0 | 0 | 110.4 | I80 R84 | I80-Q82 PolarHBondContact O-N 3.1Å; Q82-R84 PolarHBondContact O-N 3.36Å | ||
| 83 | P | 53.3 | Low | 56.8 | Low | 108 Ų | 108 | 146.2 Ų | 146.2 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | trans | -65.7 | 123.1 | -179 | 26.4 | -33.4 | 0 | 0 | 0 | 110.2 | R85 | P83-R85 PolarHBondContact O-N 3.49Š| ||
| 84 | R | 46.3 | Very low | 56.3 | Low | 232 Ų | 232 | 146.2 Ų | 146.2 | 88% | 0.875 | 72% | 0.715 | S | S | * | * | trans | -69.4 | 94.8 | -179.2 | -71.4 | -170.9 | 175.6 | -172.5 | 0 | 111 | Q82 N86 | Q82-R84 PolarHBondContact O-N 3.36Å; R84-N86 PolarHBondContact O-N 2.94Å; R84-N86 VanDerWaalsContact O-N 3.13Å | ||
| 85 | R | 51.8 | Low | 55.9 | Low | 241 Ų | 241 | 149 Ų | 149 | 91% | 0.909 | 73% | 0.733 | S | S | * | * | trans | -65.9 | 104.9 | 157.2 | -82.1 | -176.1 | 164 | 168.4 | -4 | 108.2 | P83 P87 | P83-R85 PolarHBondContact O-N 3.49Å; R85-P87 WeakPolarHBondContact O-CD 3.49Å | ||
| 86 | N | 51.2 | Low | 55.6 | Low | 140 Ų | 140 | 154.3 Ų | 154.3 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | trans | -65 | 114.8 | 173.7 | -72.7 | -33.3 | 0 | 0 | 0 | 110.2 | R84 R88 | R84-N86 PolarHBondContact O-N 2.94Å; R84-N86 VanDerWaalsContact O-N 3.13Å; N86-R88 PolarHBondContact O-N 3.35Å | ||
| 87 | P | 56.9 | Low | 55.2 | Low | 104 Ų | 104 | 149.8 Ų | 149.8 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | trans | -77.5 | 112.6 | 162.1 | 32.8 | -27.8 | 0 | 0 | 0 | 107.4 | R85 V89 | R85-P87 WeakPolarHBondContact O-CD 3.49Å; P87-V89 VanDerWaalsContact C-N 3.31Å; P87-V89 HydrophobicContact CB-CG2 3.85Å; P87-V89 HydrophobicContact CG-CG2 4.33Å; P87-V89 PolarHBondContact O-N 2.88Å | ||
| 88 | R | 56 | Low | 55.1 | Low | 249 Ų | 249 | 152.3 Ų | 152.3 | 94% | 0.94 | 75% | 0.745 | S | S | * | * | trans | -68.2 | 91.9 | 167 | -75.1 | 179.3 | 176.3 | 161.8 | -2.6 | 108.1 | N86 | N86-R88 PolarHBondContact O-N 3.35Š| ||
| 89 | V | 57.7 | Low | 55 | Low | 102 Ų | 102 | 150.6 Ų | 150.6 | 62% | 0.618 | 74% | 0.743 | S | S | * | * | trans | -117.8 | 118.5 | 170.3 | -146.5 | 0 | 0 | 0 | 0 | 107.6 | P87 F91 | P87-V89 VanDerWaalsContact C-N 3.31Å; P87-V89 HydrophobicContact CB-CG2 3.85Å; P87-V89 HydrophobicContact CG-CG2 4.33Å; P87-V89 PolarHBondContact O-N 2.88Å; V89-F91 PolarHBondContact O-N 2.81Å | ||
| 90 | P | 58.1 | Low | 54.6 | Low | 109 Ų | 109 | 149.9 Ų | 149.9 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | trans | -70.6 | 124.7 | 179.4 | 28.1 | -32.5 | 0 | 0 | 0 | 109.7 | F92 | P90-F92 VanDerWaalsContact C-N 3.35Å; P90-F92 PolarHBondContact O-N 2.87Å | ||
| 91 | F | 54.4 | Low | 54.3 | Low | 199 Ų | 199 | 152 Ų | 152 | 87% | 0.873 | 75% | 0.747 | S | S | * | * | trans | -71.5 | 89.9 | 172 | -77.7 | -88.8 | 0 | 0 | 0 | 109.8 | V89 I93 | V89-F91 PolarHBondContact O-N 2.81Å; F91-I93 PolarHBondContact O-N 3.11Å | ||
| 92 | F | 52.7 | Low | 54 | Low | 190 Ų | 190 | 153.7 Ų | 153.7 | 83% | 0.833 | 75% | 0.748 | S | S | * | * | trans | -75 | 90.1 | 170.1 | -125.1 | -91.2 | 0 | 0 | 0 | 109.2 | P90 P94 | P90-F92 VanDerWaalsContact C-N 3.35Å; P90-F92 PolarHBondContact O-N 2.87Å; F92-P94 VanDerWaalsContact O-CD 3.3Å; F92-P94 WeakPolarHBondContact O-CD 3.49Å | ||
| 93 | I | 54.7 | Low | 53.7 | Low | 132 Ų | 132 | 156.3 Ų | 156.3 | 68% | 0.677 | 76% | 0.757 | S | S | * | * | trans | -75.2 | 117.9 | 168.4 | -61.6 | 173.7 | 0 | 0 | 0 | 107 | F91 V95 | F91-I93 PolarHBondContact O-N 3.11Å; I93-V95 PolarHBondContact O-N 3.08Å | ||
| 94 | P | 55.9 | Low | 52.9 | Low | 109 Ų | 109 | 155.1 Ų | 155.1 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | trans | -71.1 | 96.8 | 178.6 | -16 | 31.7 | 0 | 0 | 0 | 109.6 | F92 R96 | F92-P94 VanDerWaalsContact O-CD 3.3Å; F92-P94 WeakPolarHBondContact O-CD 3.49Å; P94-R96 PolarHBondContact O-N 3.4Å | ||
| 95 | V | 56 | Low | 52.7 | Low | 118 Ų | 118 | 147.6 Ų | 147.6 | 72% | 0.715 | 76% | 0.759 | S | S | * | * | trans | -71.7 | 80 | 168.2 | -170.5 | 0 | 0 | 0 | 0 | 107.6 | I93 T97 | I93-V95 PolarHBondContact O-N 3.08Å; V95-T97 HydrophobicContact CG1-CG2 4.24Å; V95-T97 PolarHBondContact O-N 3.08Å | ||
| 96 | R | 54.2 | Low | 52.3 | Low | 219 Ų | 219 | 144.8 Ų | 144.8 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | trans | -66.1 | 88.7 | 166.2 | 49.7 | -178.3 | 174.1 | 106.6 | -0.7 | 108 | P94 I98 | P94-R96 PolarHBondContact O-N 3.4Å; R96-I98 PolarHBondContact O-N 3.46Å | ||
| 97 | T | 52.9 | Low | 52.3 | Low | 106 Ų | 106 | 145.3 Ų | 145.3 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | trans | -58.6 | 105.1 | 171.9 | 35.3 | 0 | 0 | 0 | 0 | 108.4 | V95 K99 | V95-T97 HydrophobicContact CG1-CG2 4.24Å; V95-T97 PolarHBondContact O-N 3.08Å; T97-K99 VanDerWaalsContact C-N 3.27Å; T97-K99 PolarHBondContact O-N 3.16Å | ||
| 98 | I | 56.7 | Low | 51.8 | Low | 135 Ų | 135 | 146.4 Ų | 146.4 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | trans | -67.8 | 96.8 | 165.3 | -59 | 175.1 | 0 | 0 | 0 | 105.2 | R96 N100 | R96-I98 PolarHBondContact O-N 3.46Å; I98-N100 PolarHBondContact O-N 3.07Å | ||
| 99 | K | 56.1 | Low | 51.3 | Low | 150 Ų | 150 | 141.2 Ų | 141.2 | 65% | 0.652 | 75% | 0.749 | S | S | * | * | trans | -70.6 | 114.3 | 169.8 | -64.6 | -170.3 | 178.3 | -176 | 0 | 107.3 | T97 E101 | T97-K99 VanDerWaalsContact C-N 3.27Å; T97-K99 PolarHBondContact O-N 3.16Å; K99-E101 HydrophobicContact CB-CG 3.84Å; K99-E101 WeakPolarHBondContact CD-OE1 3.46Å; K99-E101 PolarHBondContact O-N 2.94Å | ||
| 100 | N | 51.3 | Low | 50.9 | Low | 128 Ų | 128 | 143.5 Ų | 143.5 | 68% | 0.684 | 76% | 0.757 | S | S | * | * | trans | -75.5 | 68.2 | 173 | -71.9 | -6.2 | 0 | 0 | 0 | 109.8 | I98 L102 | I98-N100 PolarHBondContact O-N 3.07Å; N100-L102 PolarHBondContact O-N 3.38Å | ||
| 101 | E | 54.1 | Low | 50.3 | Low | 154 Ų | 154 | 148.4 Ų | 148.4 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 20.1 | 176.5 | -59 | -78.8 | 164 | 0 | 0 | 112.8 | K99 | K99-E101 HydrophobicContact CB-CG 3.84Å; K99-E101 WeakPolarHBondContact CD-OE1 3.46Å; K99-E101 PolarHBondContact O-N 2.94Å |
| 102 | L | 48.9 | Very low | 50.2 | Low | 158 Ų | 158 | 146.2 Ų | 146.2 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | -3.4 | -177.6 | -88.1 | 155.1 | 0 | 0 | 0 | 113.5 | N100 | N100-L102 PolarHBondContact O-N 3.38Š|
| 103 | F | 47.8 | Very low | 50.4 | Low | 199 Ų | 199 | 142 Ų | 142 | 87% | 0.873 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -134.3 | 70.5 | 176.7 | -77.8 | -86.7 | 0 | 0 | 0 | 111.4 | ||
| 104 | G | 37.8 | Very low | 50.1 | Low | 84 Ų | 84 | 147.2 Ų | 147.2 | 87% | 0.866 | 76% | 0.762 | S | S | * | * | trans | -159.3 | 90 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 105 | G | 42.8 | Very low | 50.2 | Low | 73 Ų | 73 | 151.5 Ų | 151.5 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | trans | -175.7 | 39.7 | -171 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 106 | Q | 43 | Very low | 49.9 | Very low | 182 Ų | 182 | 151.3 Ų | 151.3 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | trans | -144.2 | 92 | 169.8 | -79.9 | -64.1 | -27.1 | 0 | 0 | 110.1 | ||||
| 107 | I | 50 | Low | 49.7 | Very low | 152 Ų | 152 | 151.4 Ų | 151.4 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | trans | -158.4 | 127.7 | 142.8 | 34.3 | 171.8 | 0 | 0 | 0 | 110.7 | ||||
| 108 | N | 47.5 | Very low | 49.5 | Very low | 126 Ų | 126 | 151.6 Ų | 151.6 | 67% | 0.674 | 77% | 0.774 | S | S | * | * | trans | 77.8 | 104.1 | 147.1 | -56.8 | -10.1 | 0 | 0 | 0 | 120.4 | ||||
| 109 | N | 45.3 | Very low | 49.4 | Very low | 140 Ų | 140 | 149.9 Ų | 149.9 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | 88.6 | 108.5 | 122.1 | -62.2 | -11.6 | 0 | 0 | 0 | 121 | |||||
| 110 | L | 49.8 | Very low | 49.4 | Very low | 150 Ų | 150 | 147 Ų | 147 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | 99.2 | 128.6 | 125.5 | -130.2 | 68.9 | 0 | 0 | 0 | 120.1 | |||||
| 111 | R | 45 | Very low | 49.2 | Very low | 213 Ų | 213 | 150.6 Ų | 150.6 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 76.4 | 91.6 | 154.4 | -84.9 | 169.1 | 178 | -176.9 | -0.8 | 121 | ||||
| 112 | N | 52.6 | Low | 49.1 | Very low | 152 Ų | 152 | 154 Ų | 154 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | 87.3 | 152.9 | 114.2 | -79.1 | 11.3 | 0 | 0 | 0 | 121.5 | |||||
| 113 | P | 56.5 | Low | 49 | Very low | 103 Ų | 103 | 151.5 Ų | 151.5 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | trans | -129.3 | 166.4 | -141.2 | 42.6 | -28.4 | 0 | 0 | 0 | 115.9 | ||||
| 114 | R | 48 | Very low | 48.9 | Very low | 241 Ų | 241 | 145.3 Ų | 145.3 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | trans | 170.4 | 145.2 | 155.9 | -87.7 | 139.3 | -167.5 | -147 | 5.3 | 106 | ||||
| 115 | K | 57.1 | Low | 50 | Low | 198 Ų | 198 | 149.4 Ų | 149.4 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | cis | -154.4 | -177.8 | -7.5 | -115.3 | -167.7 | 172 | -178.3 | 0 | 107.1 | ||||
| 116 | P | 50 | Low | 50.7 | Low | 114 Ų | 114 | 150.7 Ų | 150.7 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | trans | -113.8 | 158.5 | -140.2 | 42 | -35.6 | 0 | 0 | 0 | 118.7 | ||||
| 117 | R | 50 | Low | 50.8 | Low | 221 Ų | 221 | 148.5 Ų | 148.5 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | trans | 30.7 | 149.1 | 134.9 | -105.7 | -174.7 | -142.3 | -145.6 | 4.5 | 121.7 | ||||
| 118 | P | 48.7 | Very low | 50.7 | Low | 111 Ų | 111 | 149.1 Ų | 149.1 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | -139.8 | 141.3 | 72.1 | 39.7 | -23.1 | 0 | 0 | 0 | 115.4 | |||||
| 119 | T | 55.7 | Low | 50.8 | Low | 99 Ų | 99 | 151 Ų | 151 | 61% | 0.607 | 77% | 0.773 | S | S | * | * | 49.7 | 128.9 | 109.4 | 77.8 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 120 | S | 54.8 | Low | 50.9 | Low | 90 Ų | 90 | 148.7 Ų | 148.7 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | cis | -148.3 | -171.7 | 23.1 | -65 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 121 | F | 48.3 | Very low | 51.1 | Low | 203 Ų | 203 | 149.5 Ų | 149.5 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | cis | -127.6 | -129.2 | 6.3 | -103 | -69.2 | 0 | 0 | 0 | 111.6 | ||||
| 122 | R | 51.4 | Low | 51.6 | Low | 226 Ų | 226 | 145.1 Ų | 145.1 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | trans | -159.3 | -171.5 | -168.4 | -136.2 | -164.3 | 176.8 | -124.1 | 3.7 | 111.1 | ||||
| 123 | P | 47.9 | Very low | 51.9 | Low | 105 Ų | 105 | 145.3 Ų | 145.3 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | -127.5 | -170.5 | -111.9 | 45.2 | -28.6 | 0 | 0 | 0 | 114.3 | |||||
| 124 | G | 44.8 | Very low | 52.1 | Low | 69 Ų | 69 | 146.2 Ų | 146.2 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | 131 | 96.3 | 144.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 125 | I | 60.8 | Low | 52.5 | Low | 170 Ų | 170 | 142 Ų | 142 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | trans | -124.4 | 111.6 | 154.3 | -54.3 | 173.6 | 0 | 0 | 0 | 105.7 | ||||
| 126 | P | 56.8 | Low | 52.9 | Low | 99 Ų | 99 | 138.2 Ų | 138.2 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | trans | -79 | 144 | 172.9 | 31.2 | -32.2 | 0 | 0 | 0 | 111 | L128 | P126-L128 PolarHBondContact O-N 3.31Š| ||
| 127 | D | 45.9 | Very low | 53.4 | Low | 137 Ų | 137 | 138.7 Ų | 138.7 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | -58 | 123.7 | 172.7 | -80.3 | -57.4 | 0 | 0 | 0 | 111.6 | L129 | D127-L129 PolarHBondContact O-N 3.17Š| ||
| 128 | L | 47.1 | Very low | 53.8 | Low | 165 Ų | 165 | 134 Ų | 134 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 26.7 | 176.5 | -61.2 | -178.5 | 0 | 0 | 0 | 113.1 | P126 | P126-L128 PolarHBondContact O-N 3.31Š|
| 129 | L | 50.8 | Low | 53.9 | Low | 164 Ų | 164 | 134.8 Ų | 134.8 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.5 | 11.8 | -172.1 | -65.8 | 177.7 | 0 | 0 | 0 | 114.1 | D127 | D127-L129 PolarHBondContact O-N 3.17Š|
| 130 | S | 47.7 | Very low | 53.6 | Low | 93 Ų | 93 | 136.7 Ų | 136.7 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | trans | -140.4 | 63.4 | -175 | 49.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 131 | L | 54.2 | Low | 53.4 | Low | 166 Ų | 166 | 142.2 Ų | 142.2 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | trans | -121.2 | 136.4 | 163.4 | -71.4 | 177 | 0 | 0 | 0 | 111.1 | ||||
| 132 | P | 54.2 | Low | 53.3 | Low | 121 Ų | 121 | 139.1 Ų | 139.1 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | trans | -80.2 | 135 | -173.7 | -3.2 | 21.5 | 0 | 0 | 0 | 111.3 | ||||
| 133 | L | 58.6 | Low | 53.1 | Low | 157 Ų | 157 | 135.9 Ų | 135.9 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | -76.2 | 126.7 | 169.8 | -68.2 | 165.7 | 0 | 0 | 0 | 109.8 | L135 | L133-L135 PolarHBondContact O-N 3.36Š| ||
| 134 | P | 60.7 | Low | 53.1 | Low | 122 Ų | 122 | 137.7 Ų | 137.7 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | trans | -75 | 107.8 | 166.9 | 29.9 | -30.8 | 0 | 0 | 0 | 109.2 | P136 | P134-P136 WeakPolarHBondContact O-CD 3.27Š| ||
| 135 | L | 57.3 | Low | 53.2 | Low | 153 Ų | 153 | 140.4 Ų | 140.4 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 125.1 | 167.9 | -77.4 | 136.5 | 0 | 0 | 0 | 109.4 | L133 | L133-L135 PolarHBondContact O-N 3.36Š|
| 136 | P | 65.1 | Low | 53.2 | Low | 118 Ų | 118 | 137.5 Ų | 137.5 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 128.2 | 164 | -8.2 | 24.8 | 0 | 0 | 0 | 109 | P134 | P134-P136 WeakPolarHBondContact O-CD 3.27Š|
| 137 | N | 60.2 | Low | 53.2 | Low | 123 Ų | 123 | 137.9 Ų | 137.9 | 66% | 0.658 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 131.5 | 177.8 | -78.5 | -21 | 0 | 0 | 0 | 111 | L139 | N137-L139 PolarHBondContact O-N 3.49Š|
| 138 | P | 58.4 | Low | 53.6 | Low | 123 Ų | 123 | 137.5 Ų | 137.5 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | 52.5 | 179.9 | 36.2 | -37 | 0 | 0 | 0 | 111.8 | ||
| 139 | L | 50.9 | Low | 53.7 | Low | 128 Ų | 128 | 134.9 Ų | 134.9 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.6 | -4.9 | -176.9 | -100.6 | 170.5 | 0 | 0 | 0 | 117 | N137 F141 L142 | N137-L139 PolarHBondContact O-N 3.49Å; L139-F141 PolarHBondContact O-N 3.24Å; L139-L142 HydrophobicContact CD2-CD1 4.37Å |
| 140 | D | 50.3 | Low | 53.6 | Low | 139 Ų | 139 | 129.8 Ų | 129.8 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 5.6 | -176.3 | -66.1 | -54.3 | 0 | 0 | 0 | 115.3 | L142 | D140-L142 VanDerWaalsContact C-N 3.31Å; D140-L142 PolarHBondContact O-N 3.28Å |
| 141 | F | 49.7 | Very low | 53.8 | Low | 205 Ų | 205 | 133.9 Ų | 133.9 | 90% | 0.899 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | 12.2 | 179.7 | -72.3 | -76.1 | 0 | 0 | 0 | 114.6 | L139 | L139-F141 PolarHBondContact O-N 3.24Š|
| 142 | L | 46.2 | Very low | 53.3 | Low | 138 Ų | 138 | 136 Ų | 136 | 72% | 0.723 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -108 | 43.1 | -172.8 | -89.2 | 161.4 | 0 | 0 | 0 | 113.6 | L139 D140 | L139-L142 HydrophobicContact CD2-CD1 4.37Å; D140-L142 VanDerWaalsContact C-N 3.31Å; D140-L142 PolarHBondContact O-N 3.28Å |
| 143 | N | 48.1 | Very low | 52.8 | Low | 159 Ų | 159 | 133.9 Ų | 133.9 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -173 | 81.8 | 158.2 | -102.5 | -25.2 | 0 | 0 | 0 | 113.4 | ||
| 144 | N | 47.1 | Very low | 52.4 | Low | 142 Ų | 142 | 134.3 Ų | 134.3 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | trans | -171 | 129.7 | 140.7 | -108.7 | -29.2 | 0 | 0 | 0 | 112.6 | T146 | N144-T146 PolarHBondContact O-N 3.06Š| ||
| 145 | P | 48 | Very low | 51.6 | Low | 126 Ų | 126 | 136.6 Ų | 136.6 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -90.1 | 74.1 | -179.1 | 36.3 | -34.4 | 0 | 0 | 0 | 111.7 | ||||
| 146 | T | 59.1 | Low | 51.5 | Low | 109 Ų | 109 | 135.7 Ų | 135.7 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | trans | -139.2 | 135.4 | 173.5 | 48.5 | 0 | 0 | 0 | 0 | 111.4 | N144 | N144-T146 PolarHBondContact O-N 3.06Š| ||
| 147 | P | 58.1 | Low | 50.5 | Low | 108 Ų | 108 | 136.1 Ų | 136.1 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | -75.8 | 134 | -163.8 | 29.1 | -35.5 | 0 | 0 | 0 | 113.4 | S149 | P147-S149 VanDerWaalsContact C-N 3.31Å; P147-S149 PolarHBondContact O-N 3.05Å | ||
| 148 | P | 54.4 | Low | 50.3 | Low | 129 Ų | 129 | 139 Ų | 139 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | -76.4 | 84.7 | 165.7 | 31.8 | -32.4 | 0 | 0 | 0 | 109.3 | G150 | P148-G150 PolarHBondContact O-N 2.91Š| ||
| 149 | S | 49.1 | Very low | 49.8 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -56.1 | 109.3 | 173.8 | -63.1 | 0 | 0 | 0 | 0 | 110 | P147 | P147-S149 VanDerWaalsContact C-N 3.31Å; P147-S149 PolarHBondContact O-N 3.05Å | ||
| 150 | G | 47.6 | Very low | 49.5 | Very low | 56 Ų | 56 | 142.7 Ų | 142.7 | 58% | 0.577 | 79% | 0.79 | S | S | * | * | trans | -70.4 | 157.3 | -163 | 0 | 0 | 0 | 0 | 0 | 115 | P148 F152 | P148-G150 PolarHBondContact O-N 2.91Å; G150-F152 PolarHBondContact O-N 3.23Å | ||
| 151 | L | 52.5 | Low | 49.7 | Very low | 180 Ų | 180 | 142.4 Ų | 142.4 | 94% | 0.942 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -71.5 | 28.3 | 174.3 | -59 | 173.3 | 0 | 0 | 0 | 113.5 | ||
| 152 | F | 44 | Very low | 49.9 | Very low | 209 Ų | 209 | 138.5 Ų | 138.5 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | trans | -130.4 | 45.4 | -175.7 | -81.3 | -83 | 0 | 0 | 0 | 111.2 | G150 | G150-F152 PolarHBondContact O-N 3.23Š| ||
| 153 | A | 44.5 | Very low | 49.6 | Very low | 77 Ų | 77 | 138.6 Ų | 138.6 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | trans | -154.4 | 82.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 154 | N | 49.1 | Very low | 49.2 | Very low | 166 Ų | 166 | 136.7 Ų | 136.7 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | -141.1 | 91.8 | 155.4 | -108.3 | -9.3 | 0 | 0 | 0 | 109.1 | L156 | N154-L156 PolarHBondContact O-N 3.23Š| ||
| 155 | L | 44.2 | Very low | 49.2 | Very low | 171 Ų | 171 | 134.7 Ų | 134.7 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | trans | -76.2 | 109.9 | 173 | -74.6 | 134.5 | 0 | 0 | 0 | 109.3 | ||||
| 156 | L | 55 | Low | 48.8 | Very low | 133 Ų | 133 | 133.8 Ų | 133.8 | 70% | 0.696 | 79% | 0.793 | S | S | * | * | trans | -135.3 | 122.2 | 159 | -70.7 | 176.5 | 0 | 0 | 0 | 108.4 | N154 F158 | N154-L156 PolarHBondContact O-N 3.23Å; L156-F158 HydrophobicContact CB-CD2 4Å; L156-F158 HydrophobicContact CB-CE2 3.93Å; L156-F158 HydrophobicContact CD1-CE2 4.29Å; L156-F158 PolarHBondContact O-N 3.44Å | ||
| 157 | P | 44.8 | Very low | 48.5 | Very low | 127 Ų | 127 | 133 Ų | 133 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -83.2 | 100.5 | -177.6 | 32.2 | -32 | 0 | 0 | 0 | 110.2 | ||||
| 158 | F | 54.9 | Low | 47.9 | Very low | 184 Ų | 184 | 133.7 Ų | 133.7 | 81% | 0.807 | 80% | 0.8 | S | S | * | * | trans | -118.8 | 129.1 | 171.5 | -74.7 | -70.1 | 0 | 0 | 0 | 111.9 | L156 E160 | L156-F158 HydrophobicContact CB-CD2 4Å; L156-F158 HydrophobicContact CB-CE2 3.93Å; L156-F158 HydrophobicContact CD1-CE2 4.29Å; L156-F158 PolarHBondContact O-N 3.44Å; F158-E160 PolarHBondContact O-N 3.27Å | ||
| 159 | N | 49.3 | Very low | 48.1 | Very low | 151 Ų | 151 | 129.3 Ų | 129.3 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | trans | -48.9 | 127.6 | -173.9 | -98.7 | 4.5 | 0 | 0 | 0 | 115.1 | ||||
| 160 | E | 43.1 | Very low | 48.4 | Very low | 177 Ų | 177 | 128.7 Ų | 128.7 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | 34.4 | 90.8 | 131.7 | -52.9 | -160.9 | 163.3 | 0 | 0 | 119.7 | F158 | F158-E160 PolarHBondContact O-N 3.27Š| ||
| 161 | V | 55.6 | Low | 48.6 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -146 | 128 | 131.4 | -166.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 162 | P | 53.5 | Low | 48.8 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 79% | 0.792 | 74% | 0.743 | S | S | * | * | trans | -77.1 | 126.5 | -173.7 | 28.5 | -34.9 | 0 | 0 | 0 | 114.4 | S164 | P162-S164 PolarHBondContact O-N 3.04Š| ||
| 163 | V | 39.7 | Very low | 49.4 | Very low | 141 Ų | 141 | 120.6 Ų | 120.6 | 86% | 0.855 | 72% | 0.723 | S | S | * | * | trans | -82 | 101.8 | 164.6 | 179.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 164 | S | 40.1 | Very low | 50.1 | Low | 118 Ų | 118 | 122.4 Ų | 122.4 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | trans | 178.5 | 111.5 | 156.1 | -88.2 | 0 | 0 | 0 | 0 | 113.3 | P162 | P162-S164 PolarHBondContact O-N 3.04Š| ||
| 165 | A | 46.5 | Very low | 50.9 | Low | 100 Ų | 100 | 120.9 Ų | 120.9 | 83% | 0.826 | 72% | 0.718 | S | S | * | * | trans | -178.2 | 113.2 | 137.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | S167 | A165-S167 PolarHBondContact O-N 3Š| ||
| 166 | S | 39.9 | Very low | 52.6 | Low | 108 Ų | 108 | 118.5 Ų | 118.5 | 76% | 0.755 | 70% | 0.703 | S | S | * | * | trans | -57.5 | 112.6 | 173.6 | 34.6 | 0 | 0 | 0 | 0 | 112.7 | S168 | S166-S168 PolarHBondContact O-N 3.21Š| ||
| 167 | S | 51.8 | Low | 54.1 | Low | 91 Ų | 91 | 112.2 Ų | 112.2 | 64% | 0.636 | 67% | 0.67 | S | S | * | * | trans | -67.6 | 103.3 | 165.8 | 49.5 | 0 | 0 | 0 | 0 | 109.9 | A165 G169 K171 | A165-S167 PolarHBondContact O-N 3Å; S167-G169 PolarHBondContact O-N 3.13Å; S167-K171 WeakPolarHBondContact O-CE 3.32Å | ||
| 168 | S | 47.1 | Very low | 56.4 | Low | 124 Ų | 124 | 108.2 Ų | 108.2 | 87% | 0.867 | 64% | 0.64 | S | S | * | * | trans | -81.2 | 45.2 | 174.2 | 49.5 | 0 | 0 | 0 | 0 | 112.5 | S166 | S166-S168 PolarHBondContact O-N 3.21Š| ||
| 169 | G | 57.5 | Low | 58.2 | Low | 37 Ų | 37 | 104 Ų | 104 | 38% | 0.381 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -72.7 | 164.9 | 157.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | S167 K171 | S167-G169 PolarHBondContact O-N 3.13Å; G169-K171 VanDerWaalsContact C-N 3.35Å; G169-K171 PolarHBondContact O-N 3.33Å |
| 170 | P | 55.2 | Low | 60.4 | Low | 96 Ų | 96 | 96.8 Ų | 96.8 | 62% | 0.623 | 58% | 0.58 | S | S | * | * | trans | -64.9 | 97.1 | 171 | 28.5 | -33 | 0 | 0 | 0 | 108.8 | I172 | P170-I172 VanDerWaalsContact C-N 3.27Å; P170-I172 PolarHBondContact O-N 3.34Å | ||
| 171 | K | 52.3 | Low | 62.9 | Low | 155 Ų | 155 | 89.8 Ų | 89.8 | 67% | 0.674 | 55% | 0.548 | S | S | * | . | trans | -67.5 | 89.1 | 175 | -64.2 | -172.4 | 179.9 | -172.3 | 0 | 108.7 | S167 G169 S173 | S167-K171 WeakPolarHBondContact O-CE 3.32Å; G169-K171 VanDerWaalsContact C-N 3.35Å; G169-K171 PolarHBondContact O-N 3.33Å; K171-S173 PolarHBondContact O-N 3.02Å | ||
| 172 | I | 57.2 | Low | 64.8 | Low | 52 Ų | 52 | 83.4 Ų | 83.4 | 27% | 0.267 | 51% | 0.509 | S | S | . | . | trans | -63.4 | 114.9 | 172.3 | -66.5 | 151.4 | 0 | 0 | 0 | 106.4 | P170 Q176 P249 | P170-I172 VanDerWaalsContact C-N 3.27Å; P170-I172 PolarHBondContact O-N 3.34Å; I172-Q176 HydrophobicContact CG2-CB 3.85Å; I172-Q176 HydrophobicContact CG2-CG 4.43Å; I172-P249 HydrophobicContact CD1-CG 3.83Å | ||
| 173 | S | 55.6 | Low | 66.8 | Low | 69 Ų | 69 | 82.3 Ų | 82.3 | 48% | 0.483 | 49% | 0.489 | S | S | . | . | trans | -55.3 | 138.4 | 175.6 | -56.2 | 0 | 0 | 0 | 0 | 109.1 | K171 I175 Q176 | K171-S173 PolarHBondContact O-N 3.02Å; S173-I175 PolarHBondContact O-N 2.91Å; S173-Q176 PolarHBondContact O-N 2.98Å | ||
| 174 | P | 59.6 | Low | 69.5 | Low | 114 Ų | 114 | 78.9 Ų | 78.9 | 74% | 0.74 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -56.6 | -22 | 174.9 | 22.3 | -32.8 | 0 | 0 | 0 | 112.2 | Q176 G177 | P174-Q176 PolarHBondContact O-N 3.01Å; P174-G177 PolarHBondContact O-N 3.39Å |
| 175 | I | 67 | Low | 72.2 | Confident | 134 Ų | 134 | 73.5 Ų | 73.5 | 69% | 0.687 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -55.9 | -14.3 | 168.8 | -53.6 | 172.9 | 0 | 0 | 0 | 113.5 | S173 R205 | S173-I175 PolarHBondContact O-N 2.91Å; I175-R205 PolarHBondContact O-NH1 2.81Å; I175-R205 PolarHBondContact O-NH2 2.91Å |
| 176 | Q | 78 | Confident | 74.5 | Confident | 121 Ų | 121 | 72.1 Ų | 72.1 | 57% | 0.565 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -96.2 | -23 | 172.8 | -166.3 | 160.3 | 23.6 | 0 | 0 | 114.1 | I172 S173 P174 I218 | I172-Q176 HydrophobicContact CG2-CB 3.85Å; I172-Q176 HydrophobicContact CG2-CG 4.43Å; S173-Q176 PolarHBondContact O-N 2.98Å; P174-Q176 PolarHBondContact O-N 3.01Å; Q176-I218 WeakPolarHBondContact O-CG2 3.35Å |
| 177 | G | 88.3 | Confident | 77.1 | Confident | 2 Ų | 2 | 71 Ų | 71 | 2% | 0.021 | 40% | 0.395 | C | S | . | . | trans | 66.9 | -176.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P174 Y219 | P174-G177 PolarHBondContact O-N 3.39Å; G177-Y219 CarbonylContact C-O 3.57Å; G177-Y219 VanDerWaalsContact CA-O 3.3Å; G177-Y219 WeakPolarHBondContact CA-O 3.41Å | ||
| 178 | F | 91.4 | Very high | 79.1 | Confident | 42 Ų | 42 | 70 Ų | 70 | 18% | 0.184 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 109.8 | -178.9 | -62.1 | -84.8 | 0 | 0 | 0 | 110.3 | I218 Y219 H221 S222 A225 T248 V250 | F178-I218 WeakPolarHBondContact O-CA 3.33Å; F178-Y219 PolarHBondContact N-O 2.79Å; F178-Y219 PolarHBondContact O-N 3.03Å; F178-H221 WeakPolarHBondContact CD2-O 3.46Å; F178-S222 VanDerWaalsContact CD2-N 3.3Å; F178-S222 VanDerWaalsContact CE2-N 3.29Å; F178-A225 HydrophobicContact CB-CB 3.82Å; F178-T248 VanDerWaalsContact CA-OG1 3.32Å; F178-T248 WeakPolarHBondContact CA-OG1 3.42Å; F178-V250 HydrophobicContact CD1-CG2 3.55Å; F178-V250 HydrophobicContact CE1-CG2 3.63Å |
| 179 | R | 93.4 | Very high | 81.4 | Confident | 95 Ų | 95 | 64.8 Ų | 64.8 | 36% | 0.358 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 120.9 | -176 | -171.1 | 177.3 | 178.1 | -171 | -2.1 | 110.4 | E216 V217 I218 T247 T248 | R179-E216 IonicContact CZ-OE1 2.81Å; R179-E216 IonicContact CZ-OE2 3.45Å; R179-E216 VanDerWaalsContact NE-CD 3.34Å; R179-E216 IonicContact NE-OE1 2.84Å; R179-E216 PolarHBondContact NE-OE1 2.92Å; R179-E216 IonicContact NE-OE2 3.2Å; R179-E216 PolarHBondContact NE-OE2 3.41Å; R179-E216 IonicContact NH2-OE1 2.76Å; R179-E216 PolarHBondContact NH2-OE1 2.93Å; R179-E216 IonicContact NH2-OE2 2.71Å; R179-E216 PolarHBondContact NH2-OE2 2.93Å; R179-V217 WeakPolarHBondContact CA-O 3.41Å; R179-I218 HydrophobicContact CB-CG1 4.31Å; R179-I218 HydrophobicContact CG-CG1 4.27Å; R179-T247 PolarHBondContact O-N 3.44Å; R179-T248 HydrophobicContact CB-CG2 3.87Å; R179-T248 PolarHBondContact N-OG1 2.79Å; R179-T248 PolarHBondContact O-N 3.29Å |
| 180 | V | 94.9 | Very high | 83.2 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 128.3 | 172.2 | 179.4 | 0 | 0 | 0 | 0 | 107.8 | I182 E216 V217 Y219 A225 I229 V244 L246 | V180-I182 HydrophobicContact CG1-CD1 4.34Å; V180-E216 WeakPolarHBondContact O-CA 3.45Å; V180-V217 PolarHBondContact N-O 2.92Å; V180-V217 PolarHBondContact O-N 3.36Å; V180-Y219 HydrophobicContact CG2-CD2 3.94Å; V180-Y219 HydrophobicContact CG2-CE2 4.07Å; V180-A225 HydrophobicContact CG2-CB 3.76Å; V180-I229 HydrophobicContact CG1-CG1 4.3Å; V180-V244 HydrophobicContact CG1-CG1 3.26Å; V180-L246 HydrophobicContact CG2-CD1 4.07Å |
| 181 | E | 95.7 | Very high | 85.1 | Confident | 31 Ų | 31 | 65.8 Ų | 65.8 | 15% | 0.145 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 130.6 | 173.7 | -176 | -174.6 | -175.4 | 0 | 0 | 109.5 | R183 E216 S245 T247 | E181-R183 VanDerWaalsContact CD-CZ 3.41Å; E181-R183 HydrophobicContact CG-CG 4.22Å; E181-R183 IonicContact OE1-CZ 3.73Å; E181-R183 IonicContact OE1-NE 2.68Å; E181-R183 PolarHBondContact OE1-NE 3.36Å; E181-R183 IonicContact OE1-NH2 2.68Å; E181-R183 PolarHBondContact OE1-NH2 3.25Å; E181-R183 IonicContact OE2-CZ 3.7Å; E181-R183 IonicContact OE2-NE 2.92Å; E181-R183 PolarHBondContact OE2-NE 3.49Å; E181-R183 IonicContact OE2-NH2 3.07Å; E181-R183 PolarHBondContact OE2-NH2 3.05Å; E181-E216 HydrophobicContact CG-CG 4.46Å; E181-S245 PolarHBondContact N-O 2.92Å; E181-S245 PolarHBondContact O-N 2.8Å; E181-S245 PolarHBondContact O-OG 2.67Å; E181-T247 WeakPolarHBondContact CB-OG1 3.43Å |
| 182 | I | 96.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 126.6 | -179.2 | -53.8 | 86.4 | 0 | 0 | 0 | 108.5 | V180 L185 F198 Q214 A215 V217 M242 R243 | V180-I182 HydrophobicContact CG1-CD1 4.34Å; I182-L185 HydrophobicContact CB-CD1 4.49Å; I182-L185 HydrophobicContact CG2-CD1 3.81Å; I182-L185 HydrophobicContact CG2-CD2 3.7Å; I182-L185 HydrophobicContact CG2-CG 3.86Å; I182-F198 HydrophobicContact CD1-CE2 4.38Å; I182-F198 HydrophobicContact CD1-CZ 4.25Å; I182-F198 HydrophobicContact CG1-CE1 4.16Å; I182-F198 HydrophobicContact CG1-CE2 3.75Å; I182-F198 HydrophobicContact CG1-CZ 3.47Å; I182-F198 VanDerWaalsContact CG1-CZ 3.47Å; I182-F198 HydrophobicContact CG2-CE2 4.47Å; I182-F198 HydrophobicContact CG2-CZ 4.4Å; I182-Q214 WeakPolarHBondContact O-CA 3.46Å; I182-A215 WeakPolarHBondContact CA-O 3.28Å; I182-A215 HydrophobicContact CB-CB 4.36Å; I182-A215 WeakPolarHBondContact CB-O 3.33Å; I182-A215 WeakPolarHBondContact CD1-O 3.35Å; I182-A215 PolarHBondContact N-O 3.01Å; I182-A215 PolarHBondContact O-N 2.74Å; I182-V217 HydrophobicContact CD1-CB 4.1Å; I182-V217 HydrophobicContact CD1-CG2 3.76Å; I182-M242 HydrophobicContact CG2-CG 3.51Å; I182-M242 HydrophobicContact CG2-SD 3.41Å; I182-M242 WeakPolarHBondContact CG2-SD 3.47Å; I182-R243 CarbonylContact C-O 3.59Å; I182-R243 WeakPolarHBondContact CA-O 3.39Å |
| 183 | R | 96.1 | Very high | 89 | Confident | 98 Ų | 98 | 64.4 Ų | 64.4 | 37% | 0.37 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 162.4 | -178.3 | -63.6 | 179.4 | 172.7 | 158.2 | 4.2 | 111.1 | E181 L185 R243 | E181-R183 VanDerWaalsContact CD-CZ 3.41Å; E181-R183 HydrophobicContact CG-CG 4.22Å; E181-R183 IonicContact OE1-CZ 3.73Å; E181-R183 IonicContact OE1-NE 2.68Å; E181-R183 PolarHBondContact OE1-NE 3.36Å; E181-R183 IonicContact OE1-NH2 2.68Å; E181-R183 PolarHBondContact OE1-NH2 3.25Å; E181-R183 IonicContact OE2-CZ 3.7Å; E181-R183 IonicContact OE2-NE 2.92Å; E181-R183 PolarHBondContact OE2-NE 3.49Å; E181-R183 IonicContact OE2-NH2 3.07Å; E181-R183 PolarHBondContact OE2-NH2 3.05Å; R183-L185 VanDerWaalsContact C-N 3.35Å; R183-R243 HydrophobicContact CB-CB 4.23Å; R183-R243 PolarHBondContact N-O 3.26Å; R183-R243 PolarHBondContact O-N 3.46Å |
| 184 | N | 96.2 | Very high | 90.9 | Very high | 69 Ų | 69 | 61.2 Ų | 61.2 | 37% | 0.369 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 68.1 | 27.6 | 176.8 | -160.8 | 55.3 | 0 | 0 | 0 | 114.7 | G213 P241 R243 | N184-G213 PolarHBondContact N-O 3.48Å; N184-G213 VanDerWaalsContact N-O 3.12Å; N184-P241 PolarHBondContact ND2-O 3.5Å; N184-R243 HydrophobicContact CB-CG 4.29Å |
| 185 | L | 95.7 | Very high | 92.6 | Very high | 6 Ų | 6 | 60 Ų | 60 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | trans | -71.3 | 163.4 | 171 | -54.9 | 178.2 | 0 | 0 | 0 | 110.7 | I182 R183 V189 V194 G213 A215 L237 R240 M242 | I182-L185 HydrophobicContact CB-CD1 4.49Å; I182-L185 HydrophobicContact CG2-CD1 3.81Å; I182-L185 HydrophobicContact CG2-CD2 3.7Å; I182-L185 HydrophobicContact CG2-CG 3.86Å; R183-L185 VanDerWaalsContact C-N 3.35Å; L185-V189 HydrophobicContact CB-CB 4.39Å; L185-V189 HydrophobicContact CB-CG2 4.29Å; L185-V189 HydrophobicContact CD1-CG1 4.29Å; L185-V194 HydrophobicContact CD1-CG2 3.99Å; L185-G213 PolarHBondContact N-O 2.9Å; L185-G213 VanDerWaalsContact N-O 3.13Å; L185-G213 WeakPolarHBondContact O-CA 3.43Å; L185-A215 HydrophobicContact CD1-CB 3.97Å; L185-L237 HydrophobicContact CD2-CD2 4.14Å; L185-R240 PolarHBondContact O-NH1 3.46Å; L185-M242 HydrophobicContact CD2-CB 4.12Å; L185-M242 HydrophobicContact CD2-CG 3.77Å; L185-M242 HydrophobicContact CD2-SD 3.84Å | ||
| 186 | Q | 95.3 | Very high | 94 | Very high | 71 Ų | 71 | 60.5 Ų | 60.5 | 33% | 0.332 | 30% | 0.304 | S | S | . | . | trans | -75 | 145.7 | 167.3 | -164.1 | -177.6 | 9.4 | 0 | 0 | 109.5 | S188 V189 D238 | Q186-S188 WeakPolarHBondContact CG-OG 3.24Å; Q186-S188 PolarHBondContact O-N 2.81Å; Q186-S188 VanDerWaalsContact O-N 3.13Å; Q186-S188 PolarHBondContact OE1-OG 2.87Å; Q186-V189 HydrophobicContact CB-CG2 4.1Å; Q186-V189 WeakPolarHBondContact O-CB 3Å; Q186-V189 WeakPolarHBondContact O-CG2 3.43Å; Q186-V189 PolarHBondContact O-N 3.12Å; Q186-V189 VanDerWaalsContact O-N 3.12Å; Q186-D238 HydrophobicContact CB-CB 4.26Å | ||
| 187 | P | 94.4 | Very high | 94.8 | Very high | 85 Ų | 85 | 56.1 Ų | 56.1 | 55% | 0.552 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -13.2 | 175.9 | -28.3 | 37.6 | 0 | 0 | 0 | 116.1 | P212 | P187-P212 HydrophobicContact CB-CB 4.06Š|
| 188 | S | 94.4 | Very high | 95.1 | Very high | 68 Ų | 68 | 56.1 Ų | 56.1 | 48% | 0.476 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -22 | 173.9 | 41.9 | 0 | 0 | 0 | 0 | 113.9 | Q186 T190 | Q186-S188 WeakPolarHBondContact CG-OG 3.24Å; Q186-S188 PolarHBondContact O-N 2.81Å; Q186-S188 VanDerWaalsContact O-N 3.13Å; Q186-S188 PolarHBondContact OE1-OG 2.87Å; S188-T190 PolarHBondContact O-N 2.98Å |
| 189 | V | 94.8 | Very high | 95.3 | Very high | 15 Ų | 15 | 56.5 Ų | 56.5 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | trans | -62.5 | 121.2 | -179.1 | 178.8 | 0 | 0 | 0 | 0 | 109 | L185 Q186 D193 V194 L237 D238 | L185-V189 HydrophobicContact CB-CB 4.39Å; L185-V189 HydrophobicContact CB-CG2 4.29Å; L185-V189 HydrophobicContact CD1-CG1 4.29Å; Q186-V189 HydrophobicContact CB-CG2 4.1Å; Q186-V189 WeakPolarHBondContact O-CB 3Å; Q186-V189 WeakPolarHBondContact O-CG2 3.43Å; Q186-V189 PolarHBondContact O-N 3.12Å; Q186-V189 VanDerWaalsContact O-N 3.12Å; V189-D193 HydrophobicContact CG1-CB 3.99Å; V189-V194 HydrophobicContact CG1-CG2 3.75Å; V189-L237 HydrophobicContact CG1-CD2 3.84Å; V189-L237 HydrophobicContact CG2-CD2 3.87Å; V189-L237 HydrophobicContact CG2-CG 4.31Å; V189-D238 WeakPolarHBondContact CG2-OD2 3.38Å | ||
| 190 | T | 94.9 | Very high | 95.4 | Very high | 69 Ų | 69 | 55.6 Ų | 55.6 | 42% | 0.423 | 30% | 0.301 | S | S | . | . | trans | -85.9 | 173.9 | -179 | 74.5 | 0 | 0 | 0 | 0 | 111.5 | S188 D192 D193 V194 | S188-T190 PolarHBondContact O-N 2.98Å; T190-D192 PolarHBondContact O-N 2.88Å; T190-D192 PolarHBondContact OG1-N 2.84Å; T190-D193 WeakPolarHBondContact CA-OD2 3.29Å; T190-D193 VanDerWaalsContact CB-OD2 3.26Å; T190-D193 WeakPolarHBondContact CB-OD2 3.29Å; T190-D193 WeakPolarHBondContact CG2-OD2 3.26Å; T190-D193 PolarHBondContact N-OD2 2.78Å; T190-D193 VanDerWaalsContact OG1-CG 3.3Å; T190-D193 PolarHBondContact OG1-N 2.86Å; T190-D193 PolarHBondContact OG1-OD2 2.96Å; T190-V194 WeakPolarHBondContact O-CG2 3.24Å; T190-V194 PolarHBondContact O-N 3.02Å | ||
| 191 | L | 95.5 | Very high | 95.4 | Very high | 85 Ų | 85 | 56.4 Ų | 56.4 | 45% | 0.445 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.6 | -32.1 | 172 | -174.9 | 149.4 | 0 | 0 | 0 | 111.7 | V194 F195 V209 | L191-V194 PolarHBondContact O-N 3.05Å; L191-F195 WeakPolarHBondContact O-CB 3.39Å; L191-F195 PolarHBondContact O-N 3.17Å; L191-V209 HydrophobicContact CB-CG2 3.91Å; L191-V209 HydrophobicContact CG-CG2 4.37Å |
| 192 | D | 95.9 | Very high | 95.3 | Very high | 111 Ų | 111 | 55.7 Ų | 55.7 | 59% | 0.594 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -70.2 | -45.7 | -176 | -149.8 | 41.5 | 0 | 0 | 0 | 110.7 | T190 V194 F195 E196 | T190-D192 PolarHBondContact O-N 2.88Å; T190-D192 PolarHBondContact OG1-N 2.84Å; D192-V194 VanDerWaalsContact C-N 3.27Å; D192-V194 PolarHBondContact O-N 2.82Å; D192-F195 CarbonylContact O-C 3.56Å; D192-F195 WeakPolarHBondContact O-CA 3.45Å; D192-F195 WeakPolarHBondContact O-CB 3.26Å; D192-F195 PolarHBondContact O-N 3.02Å; D192-E196 PolarHBondContact O-N 2.91Å |
| 193 | D | 94.9 | Very high | 95.2 | Very high | 68 Ų | 68 | 59.7 Ų | 59.7 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.1 | -40.2 | 174.8 | -52.6 | -61.1 | 0 | 0 | 0 | 112 | V189 T190 L197 | V189-D193 HydrophobicContact CG1-CB 3.99Å; T190-D193 WeakPolarHBondContact CA-OD2 3.29Å; T190-D193 VanDerWaalsContact CB-OD2 3.26Å; T190-D193 WeakPolarHBondContact CB-OD2 3.29Å; T190-D193 WeakPolarHBondContact CG2-OD2 3.26Å; T190-D193 PolarHBondContact N-OD2 2.78Å; T190-D193 VanDerWaalsContact OG1-CG 3.3Å; T190-D193 PolarHBondContact OG1-N 2.86Å; T190-D193 PolarHBondContact OG1-OD2 2.96Å; D193-L197 VanDerWaalsContact O-CB 3.24Å; D193-L197 WeakPolarHBondContact O-CB 3.41Å; D193-L197 PolarHBondContact O-N 3.07Å; D193-L197 VanDerWaalsContact O-N 3.16Å |
| 194 | V | 95.9 | Very high | 95.1 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.1 | -40.1 | 175.6 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | L185 V189 T190 L191 D192 F198 A215 V217 | L185-V194 HydrophobicContact CD1-CG2 3.99Å; V189-V194 HydrophobicContact CG1-CG2 3.75Å; T190-V194 WeakPolarHBondContact O-CG2 3.24Å; T190-V194 PolarHBondContact O-N 3.02Å; L191-V194 PolarHBondContact O-N 3.05Å; D192-V194 VanDerWaalsContact C-N 3.27Å; D192-V194 PolarHBondContact O-N 2.82Å; V194-F198 HydrophobicContact CG1-CD2 3.86Å; V194-F198 HydrophobicContact CG1-CE2 4.27Å; V194-F198 WeakPolarHBondContact O-CB 3.42Å; V194-F198 WeakPolarHBondContact O-CD2 3.39Å; V194-F198 PolarHBondContact O-N 2.88Å; V194-F198 VanDerWaalsContact O-N 3.08Å; V194-A215 HydrophobicContact CG1-CB 4.06Å; V194-A215 HydrophobicContact CG2-CB 4.11Å; V194-V217 HydrophobicContact CG1-CG2 3.93Å |
| 195 | F | 95.9 | Very high | 95 | Very high | 89 Ų | 89 | 59 Ų | 59 | 39% | 0.39 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.9 | -49.7 | 178.9 | -176.8 | -94.5 | 0 | 0 | 0 | 111.4 | L191 D192 L197 S199 L204 C207 | L191-F195 WeakPolarHBondContact O-CB 3.39Å; L191-F195 PolarHBondContact O-N 3.17Å; D192-F195 CarbonylContact O-C 3.56Å; D192-F195 WeakPolarHBondContact O-CA 3.45Å; D192-F195 WeakPolarHBondContact O-CB 3.26Å; D192-F195 PolarHBondContact O-N 3.02Å; F195-L197 PolarHBondContact O-N 3Å; F195-S199 WeakPolarHBondContact O-CB 3.3Å; F195-S199 PolarHBondContact O-N 3.28Å; F195-L204 HydrophobicContact CD2-CD1 3.78Å; F195-L204 HydrophobicContact CE2-CB 4.16Å; F195-L204 HydrophobicContact CE2-CD1 4.1Å; F195-L204 HydrophobicContact CG-CD1 4.44Å; F195-C207 HydrophobicContact CD2-CB 4.04Å |
| 196 | E | 95.4 | Very high | 94.8 | Very high | 143 Ų | 143 | 62.9 Ų | 62.9 | 67% | 0.668 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -58.1 | -49.2 | 177.5 | -173.2 | 179.7 | 176.8 | 0 | 0 | 111.1 | D192 F198 | D192-E196 PolarHBondContact O-N 2.91Å; E196-F198 PolarHBondContact O-N 2.79Å |
| 197 | L | 94.7 | Very high | 94.8 | Very high | 30 Ų | 30 | 60.1 Ų | 60.1 | 16% | 0.157 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.6 | -50.7 | -178.2 | -171.9 | 64.3 | 0 | 0 | 0 | 112.1 | D193 F195 S200 Y232 L237 M242 | D193-L197 VanDerWaalsContact O-CB 3.24Å; D193-L197 WeakPolarHBondContact O-CB 3.41Å; D193-L197 PolarHBondContact O-N 3.07Å; D193-L197 VanDerWaalsContact O-N 3.16Å; F195-L197 PolarHBondContact O-N 3Å; L197-S200 PolarHBondContact O-OG 3.11Å; L197-Y232 HydrophobicContact CD1-CD1 4.18Å; L197-Y232 HydrophobicContact CD1-CE1 3.42Å; L197-Y232 VanDerWaalsContact CD1-CE1 3.42Å; L197-Y232 HydrophobicContact CD2-CD1 4.33Å; L197-Y232 HydrophobicContact CD2-CE1 4.34Å; L197-Y232 HydrophobicContact CG-CD1 4.2Å; L197-Y232 HydrophobicContact CG-CE1 3.77Å; L197-Y232 HydrophobicContact CG-CE2 4.37Å; L197-Y232 PolarHBondContact O-OH 3.14Å; L197-L237 HydrophobicContact CD2-CD1 4.45Å; L197-L237 HydrophobicContact CD2-CD2 4.35Å; L197-M242 HydrophobicContact CD2-CE 3.63Å; L197-M242 HydrophobicContact CD2-SD 4.39Å |
| 198 | F | 96 | Very high | 94.8 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 0% | 0.004 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -79.8 | -24.7 | -175.2 | -78.2 | -88.9 | 0 | 0 | 0 | 113.6 | I182 V194 E196 S200 V201 L204 V217 Y219 A228 Y232 M242 V244 | I182-F198 HydrophobicContact CD1-CE2 4.38Å; I182-F198 HydrophobicContact CD1-CZ 4.25Å; I182-F198 HydrophobicContact CG1-CE1 4.16Å; I182-F198 HydrophobicContact CG1-CE2 3.75Å; I182-F198 HydrophobicContact CG1-CZ 3.47Å; I182-F198 VanDerWaalsContact CG1-CZ 3.47Å; I182-F198 HydrophobicContact CG2-CE2 4.47Å; I182-F198 HydrophobicContact CG2-CZ 4.4Å; V194-F198 HydrophobicContact CG1-CD2 3.86Å; V194-F198 HydrophobicContact CG1-CE2 4.27Å; V194-F198 WeakPolarHBondContact O-CB 3.42Å; V194-F198 WeakPolarHBondContact O-CD2 3.39Å; V194-F198 PolarHBondContact O-N 2.88Å; V194-F198 VanDerWaalsContact O-N 3.08Å; E196-F198 PolarHBondContact O-N 2.79Å; F198-S200 PolarHBondContact O-N 2.82Å; F198-V201 PolarHBondContact O-N 2.79Å; F198-L204 HydrophobicContact CB-CD1 3.96Å; F198-L204 HydrophobicContact CB-CD2 4.21Å; F198-V217 HydrophobicContact CB-CG1 4.31Å; F198-V217 HydrophobicContact CB-CG2 4.29Å; F198-V217 HydrophobicContact CD2-CG2 4.44Å; F198-V217 HydrophobicContact CG-CG2 4.24Å; F198-Y219 WeakPolarHBondContact CB-OH 3.02Å; F198-Y219 WeakPolarHBondContact CD1-OH 3.39Å; F198-Y219 PolarHBondContact O-OH 3.5Å; F198-A228 HydrophobicContact CD1-CB 4.06Å; F198-A228 HydrophobicContact CE1-CB 4.22Å; F198-Y232 HydrophobicContact CD1-CD2 4.09Å; F198-Y232 AromaticContact CE1-CD2 3.85Å; F198-Y232 HydrophobicContact CE1-CD2 3.85Å; F198-Y232 HydrophobicContact CE1-CG 4.43Å; F198-Y232 HydrophobicContact CZ-CD2 4.25Å; F198-Y232 HydrophobicContact CZ-CG 4.45Å; F198-M242 HydrophobicContact CE2-CE 4.43Å; F198-M242 HydrophobicContact CE2-SD 3.72Å; F198-M242 HydrophobicContact CZ-CE 4.32Å; F198-M242 HydrophobicContact CZ-SD 3.65Å; F198-V244 HydrophobicContact CE1-CG1 4Å; F198-V244 HydrophobicContact CE1-CG2 4.43Å; F198-V244 HydrophobicContact CZ-CG1 4.25Å; F198-V244 HydrophobicContact CZ-CG2 4Å |
| 199 | S | 95.7 | Very high | 94.8 | Very high | 51 Ų | 51 | 58.1 Ų | 58.1 | 36% | 0.357 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.1 | -24.8 | 175.1 | -173 | 0 | 0 | 0 | 0 | 112.8 | F195 V201 G202 | F195-S199 WeakPolarHBondContact O-CB 3.3Å; F195-S199 PolarHBondContact O-N 3.28Å; S199-V201 PolarHBondContact O-N 3.14Å; S199-G202 PolarHBondContact O-N 3.14Å |
| 200 | S | 94.9 | Very high | 94.8 | Very high | 76 Ų | 76 | 60.9 Ų | 60.9 | 53% | 0.531 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -14.5 | 176.1 | 73.9 | 0 | 0 | 0 | 0 | 115 | L197 F198 Y232 | L197-S200 PolarHBondContact O-OG 3.11Å; F198-S200 PolarHBondContact O-N 2.82Å; S200-Y232 PolarHBondContact OG-OH 2.82Å |
| 201 | V | 94.9 | Very high | 94.7 | Very high | 17 Ų | 17 | 65.3 Ų | 65.3 | 10% | 0.103 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -36.1 | 177.2 | 174.8 | 0 | 0 | 0 | 0 | 112.1 | F198 S199 D224 E227 A228 Y232 | F198-V201 PolarHBondContact O-N 2.79Å; S199-V201 PolarHBondContact O-N 3.14Å; V201-D224 VanDerWaalsContact CG1-O 3.32Å; V201-D224 WeakPolarHBondContact CG1-O 3.39Å; V201-E227 HydrophobicContact CG1-CB 3.79Å; V201-E227 HydrophobicContact CG1-CG 3.76Å; V201-A228 HydrophobicContact CB-CB 4.36Å; V201-A228 HydrophobicContact CG1-CB 4.05Å; V201-A228 HydrophobicContact CG2-CB 4.35Å; V201-Y232 HydrophobicContact CG2-CD2 4.31Å; V201-Y232 HydrophobicContact CG2-CE2 3.52Å |
| 202 | G | 93.8 | Very high | 94.6 | Very high | 16 Ų | 16 | 66.3 Ų | 66.3 | 17% | 0.165 | 36% | 0.358 | C | S | . | . | S | Bend | trans | 178.4 | 171.5 | -177 | 0 | 0 | 0 | 0 | 0 | 112.5 | S199 L204 | S199-G202 PolarHBondContact O-N 3.14Å; G202-L204 PolarHBondContact O-N 3.48Å; G202-L204 VanDerWaalsContact O-N 3.12Å |
| 203 | S | 94.2 | Very high | 94.5 | Very high | 83 Ų | 83 | 61.6 Ų | 61.6 | 58% | 0.58 | 34% | 0.336 | S | S | * | . | trans | -68.5 | 110.9 | -172.7 | -59.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 204 | L | 94.1 | Very high | 94.6 | Very high | 28 Ų | 28 | 61 Ų | 61 | 15% | 0.147 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 132.2 | 174.9 | -52.4 | -166.7 | 0 | 0 | 0 | 110.3 | F195 F198 G202 V217 Y219 | F195-L204 HydrophobicContact CD2-CD1 3.78Å; F195-L204 HydrophobicContact CE2-CB 4.16Å; F195-L204 HydrophobicContact CE2-CD1 4.1Å; F195-L204 HydrophobicContact CG-CD1 4.44Å; F198-L204 HydrophobicContact CB-CD1 3.96Å; F198-L204 HydrophobicContact CB-CD2 4.21Å; G202-L204 PolarHBondContact O-N 3.48Å; G202-L204 VanDerWaalsContact O-N 3.12Å; L204-V217 HydrophobicContact CD1-CG1 3.89Å; L204-V217 HydrophobicContact CD2-CG1 3.4Å; L204-V217 VanDerWaalsContact CD2-CG1 3.4Å; L204-V217 HydrophobicContact CG-CG1 4.13Å; L204-Y219 HydrophobicContact CD2-CD1 3.79Å; L204-Y219 HydrophobicContact CD2-CE1 3.25Å; L204-Y219 HydrophobicContact CD2-CE2 4.1Å; L204-Y219 HydrophobicContact CD2-CG 4.42Å; L204-Y219 VanDerWaalsContact CD2-CZ 3.43Å |
| 205 | R | 92.6 | Very high | 94.6 | Very high | 124 Ų | 124 | 61 Ų | 61 | 47% | 0.468 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -33.4 | 173.1 | -175.1 | 174.8 | 169.6 | -155.3 | -5.3 | 112.6 | I175 I218 | I175-R205 PolarHBondContact O-NH1 2.81Å; I175-R205 PolarHBondContact O-NH2 2.91Å; R205-I218 HydrophobicContact CB-CG2 4.48Å; R205-I218 WeakPolarHBondContact CB-O 3.24Å; R205-I218 PolarHBondContact N-O 2.79Å |
| 206 | L | 93 | Very high | 94.6 | Very high | 88 Ų | 88 | 58.1 Ų | 58.1 | 46% | 0.461 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 138.7 | 176 | -178.1 | 63.4 | 0 | 0 | 0 | 109.1 | T208 V217 I218 | L206-T208 HydrophobicContact CD1-CG2 3.99Å; L206-T208 HydrophobicContact CD2-CG2 4.21Å; L206-T208 HydrophobicContact CG-CG2 4.01Å; L206-V217 CarbonylContact O-C 3.6Å; L206-V217 WeakPolarHBondContact O-CA 3.41Å; L206-I218 HydrophobicContact CB-CB 4.22Å; L206-I218 HydrophobicContact CB-CD1 4.19Å; L206-I218 HydrophobicContact CB-CG1 4.27Å; L206-I218 HydrophobicContact CD2-CD1 3.99Å; L206-I218 PolarHBondContact N-O 2.83Å; L206-I218 PolarHBondContact O-N 3.5Å |
| 207 | C | 94.6 | Very high | 94.6 | Very high | 14 Ų | 14 | 51.3 Ų | 51.3 | 10% | 0.095 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 131.5 | 167 | 178.7 | 0 | 0 | 0 | 0 | 107.7 | F195 V217 | F195-C207 HydrophobicContact CD2-CB 4.04Å; C207-V217 HydrophobicContact CB-CG2 4.44Å |
| 208 | T | 94.9 | Very high | 94.6 | Very high | 53 Ų | 53 | 51.5 Ų | 51.5 | 33% | 0.325 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 144.7 | 173.1 | 60.8 | 0 | 0 | 0 | 0 | 111.1 | L206 A215 E216 | L206-T208 HydrophobicContact CD1-CG2 3.99Å; L206-T208 HydrophobicContact CD2-CG2 4.21Å; L206-T208 HydrophobicContact CG-CG2 4.01Å; T208-A215 CarbonylContact O-C 3.58Å; T208-A215 WeakPolarHBondContact O-CA 3.16Å; T208-E216 PolarHBondContact N-O 2.79Å; T208-E216 PolarHBondContact O-N 2.92Å |
| 209 | V | 95.1 | Very high | 94.5 | Very high | 57 Ų | 57 | 51.4 Ų | 51.4 | 35% | 0.345 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 110.2 | 170.8 | -179.2 | 0 | 0 | 0 | 0 | 107.8 | L191 R211 A215 | L191-V209 HydrophobicContact CB-CG2 3.91Å; L191-V209 HydrophobicContact CG-CG2 4.37Å; V209-R211 WeakPolarHBondContact CG1-O 3.41Å; V209-A215 HydrophobicContact CG2-CB 4.26Å |
| 210 | T | 94 | Very high | 94.3 | Very high | 74 Ų | 74 | 52.3 Ų | 52.3 | 45% | 0.454 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | -38.5 | -176.4 | -41.8 | 0 | 0 | 0 | 0 | 111.8 | Q214 | T210-Q214 PolarHBondContact N-O 2.82Å |
| 211 | R | 93.6 | Very high | 94.1 | Very high | 161 Ų | 161 | 53.9 Ų | 53.9 | 61% | 0.608 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 156.4 | -178.9 | -60.1 | -175.6 | -177.1 | 159.5 | -1.5 | 109.4 | V209 G213 Q214 | V209-R211 WeakPolarHBondContact CG1-O 3.41Å; R211-G213 PolarHBondContact O-N 2.86Å; R211-G213 VanDerWaalsContact O-N 3.1Å; R211-Q214 HydrophobicContact CB-CB 4.27Å; R211-Q214 PolarHBondContact N-O 3.08Å; R211-Q214 VanDerWaalsContact N-O 3.15Å; R211-Q214 CarbonylContact O-C 3.53Å; R211-Q214 PolarHBondContact O-N 3.16Å |
| 212 | P | 93.3 | Very high | 93.9 | Very high | 106 Ų | 106 | 54.9 Ų | 54.9 | 69% | 0.688 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 121.2 | 168.7 | 22.9 | -33.7 | 0 | 0 | 0 | 110.1 | P187 | P187-P212 HydrophobicContact CB-CB 4.06Š|
| 213 | G | 93.7 | Very high | 93.9 | Very high | 12 Ų | 12 | 57 Ų | 57 | 12% | 0.124 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | 0.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | N184 L185 R211 | N184-G213 PolarHBondContact N-O 3.48Å; N184-G213 VanDerWaalsContact N-O 3.12Å; L185-G213 PolarHBondContact N-O 2.9Å; L185-G213 VanDerWaalsContact N-O 3.13Å; L185-G213 WeakPolarHBondContact O-CA 3.43Å; R211-G213 PolarHBondContact O-N 2.86Å; R211-G213 VanDerWaalsContact O-N 3.1Å |
| 214 | Q | 96 | Very high | 93.9 | Very high | 57 Ų | 57 | 54.1 Ų | 54.1 | 27% | 0.266 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 123.5 | 177.9 | -60.3 | -173.8 | -42.5 | 0 | 0 | 112.3 | I182 T210 R211 | I182-Q214 WeakPolarHBondContact O-CA 3.46Å; T210-Q214 PolarHBondContact N-O 2.82Å; R211-Q214 HydrophobicContact CB-CB 4.27Å; R211-Q214 PolarHBondContact N-O 3.08Å; R211-Q214 VanDerWaalsContact N-O 3.15Å; R211-Q214 CarbonylContact O-C 3.53Å; R211-Q214 PolarHBondContact O-N 3.16Å |
| 215 | A | 96.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 164 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | I182 L185 V194 T208 V209 | I182-A215 WeakPolarHBondContact CA-O 3.28Å; I182-A215 HydrophobicContact CB-CB 4.36Å; I182-A215 WeakPolarHBondContact CB-O 3.33Å; I182-A215 WeakPolarHBondContact CD1-O 3.35Å; I182-A215 PolarHBondContact N-O 3.01Å; I182-A215 PolarHBondContact O-N 2.74Å; L185-A215 HydrophobicContact CD1-CB 3.97Å; V194-A215 HydrophobicContact CG1-CB 4.06Å; V194-A215 HydrophobicContact CG2-CB 4.11Å; T208-A215 CarbonylContact O-C 3.58Å; T208-A215 WeakPolarHBondContact O-CA 3.16Å; V209-A215 HydrophobicContact CG2-CB 4.26Å |
| 216 | E | 95.1 | Very high | 93.9 | Very high | 29 Ų | 29 | 49.4 Ų | 49.4 | 14% | 0.136 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 138 | -179.7 | -65 | -177 | 160.5 | 0 | 0 | 110.6 | R179 V180 E181 T208 | R179-E216 IonicContact CZ-OE1 2.81Å; R179-E216 IonicContact CZ-OE2 3.45Å; R179-E216 VanDerWaalsContact NE-CD 3.34Å; R179-E216 IonicContact NE-OE1 2.84Å; R179-E216 PolarHBondContact NE-OE1 2.92Å; R179-E216 IonicContact NE-OE2 3.2Å; R179-E216 PolarHBondContact NE-OE2 3.41Å; R179-E216 IonicContact NH2-OE1 2.76Å; R179-E216 PolarHBondContact NH2-OE1 2.93Å; R179-E216 IonicContact NH2-OE2 2.71Å; R179-E216 PolarHBondContact NH2-OE2 2.93Å; V180-E216 WeakPolarHBondContact O-CA 3.45Å; E181-E216 HydrophobicContact CG-CG 4.46Å; T208-E216 PolarHBondContact N-O 2.79Å; T208-E216 PolarHBondContact O-N 2.92Å |
| 217 | V | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 139.9 | -177.5 | 174 | 0 | 0 | 0 | 0 | 108.6 | R179 V180 I182 V194 F198 L204 L206 C207 Y219 | R179-V217 WeakPolarHBondContact CA-O 3.41Å; V180-V217 PolarHBondContact N-O 2.92Å; V180-V217 PolarHBondContact O-N 3.36Å; I182-V217 HydrophobicContact CD1-CB 4.1Å; I182-V217 HydrophobicContact CD1-CG2 3.76Å; V194-V217 HydrophobicContact CG1-CG2 3.93Å; F198-V217 HydrophobicContact CB-CG1 4.31Å; F198-V217 HydrophobicContact CB-CG2 4.29Å; F198-V217 HydrophobicContact CD2-CG2 4.44Å; F198-V217 HydrophobicContact CG-CG2 4.24Å; L204-V217 HydrophobicContact CD1-CG1 3.89Å; L204-V217 HydrophobicContact CD2-CG1 3.4Å; L204-V217 VanDerWaalsContact CD2-CG1 3.4Å; L204-V217 HydrophobicContact CG-CG1 4.13Å; L206-V217 CarbonylContact O-C 3.6Å; L206-V217 WeakPolarHBondContact O-CA 3.41Å; C207-V217 HydrophobicContact CB-CG2 4.44Å; V217-Y219 HydrophobicContact CG1-CD2 4.18Å; V217-Y219 HydrophobicContact CG1-CE2 3.8Å |
| 218 | I | 94.4 | Very high | 94.1 | Very high | 33 Ų | 33 | 47.9 Ų | 47.9 | 17% | 0.169 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 119.9 | 177.3 | -54.4 | -176.1 | 0 | 0 | 0 | 109 | Q176 F178 R179 R205 L206 | Q176-I218 WeakPolarHBondContact O-CG2 3.35Å; F178-I218 WeakPolarHBondContact O-CA 3.33Å; R179-I218 HydrophobicContact CB-CG1 4.31Å; R179-I218 HydrophobicContact CG-CG1 4.27Å; R205-I218 HydrophobicContact CB-CG2 4.48Å; R205-I218 WeakPolarHBondContact CB-O 3.24Å; R205-I218 PolarHBondContact N-O 2.79Å; L206-I218 HydrophobicContact CB-CB 4.22Å; L206-I218 HydrophobicContact CB-CD1 4.19Å; L206-I218 HydrophobicContact CB-CG1 4.27Å; L206-I218 HydrophobicContact CD2-CD1 3.99Å; L206-I218 PolarHBondContact N-O 2.83Å; L206-I218 PolarHBondContact O-N 3.5Å |
| 219 | Y | 94.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 156.8 | 173.2 | -73.4 | -86.7 | 0 | 0 | 0 | 112 | G177 F178 V180 F198 L204 V217 D224 A225 A228 | G177-Y219 CarbonylContact C-O 3.57Å; G177-Y219 VanDerWaalsContact CA-O 3.3Å; G177-Y219 WeakPolarHBondContact CA-O 3.41Å; F178-Y219 PolarHBondContact N-O 2.79Å; F178-Y219 PolarHBondContact O-N 3.03Å; V180-Y219 HydrophobicContact CG2-CD2 3.94Å; V180-Y219 HydrophobicContact CG2-CE2 4.07Å; F198-Y219 WeakPolarHBondContact CB-OH 3.02Å; F198-Y219 WeakPolarHBondContact CD1-OH 3.39Å; F198-Y219 PolarHBondContact O-OH 3.5Å; L204-Y219 HydrophobicContact CD2-CD1 3.79Å; L204-Y219 HydrophobicContact CD2-CE1 3.25Å; L204-Y219 HydrophobicContact CD2-CE2 4.1Å; L204-Y219 HydrophobicContact CD2-CG 4.42Å; L204-Y219 VanDerWaalsContact CD2-CZ 3.43Å; V217-Y219 HydrophobicContact CG1-CD2 4.18Å; V217-Y219 HydrophobicContact CG1-CE2 3.8Å; Y219-D224 HydrophobicContact CD1-CB 3.4Å; Y219-D224 VanDerWaalsContact CD1-CB 3.4Å; Y219-D224 HydrophobicContact CE1-CB 3.87Å; Y219-D224 HydrophobicContact CG-CB 4Å; Y219-A225 HydrophobicContact CD2-CB 3.85Å; Y219-A225 HydrophobicContact CG-CB 4.24Å; Y219-A228 HydrophobicContact CE2-CB 3.91Å; Y219-A228 WeakPolarHBondContact OH-CB 3.42Å |
| 220 | N | 92 | Very high | 94.2 | Very high | 70 Ų | 70 | 52.2 Ų | 52.2 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -73.6 | -36.8 | 171.1 | -67.8 | -40.5 | 0 | 0 | 0 | 112.3 | ||
| 221 | H | 90.7 | Very high | 94.2 | Very high | 109 Ų | 109 | 55.1 Ų | 55.1 | 51% | 0.505 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -117.4 | 154.8 | -175.8 | -55.4 | -67.4 | 0 | 0 | 0 | 112.6 | F178 S223 D224 | F178-H221 WeakPolarHBondContact CD2-O 3.46Å; H221-S223 WeakPolarHBondContact CB-OG 3.48Å; H221-D224 IonicContact CD2-OD2 3.43Å |
| 222 | S | 90.3 | Very high | 94.3 | Very high | 37 Ų | 37 | 48 Ų | 48 | 26% | 0.259 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -73.5 | -32.2 | 177 | 47.5 | 0 | 0 | 0 | 0 | 112.2 | F178 A225 L226 | F178-S222 VanDerWaalsContact CD2-N 3.3Å; F178-S222 VanDerWaalsContact CE2-N 3.29Å; S222-A225 PolarHBondContact O-N 2.74Å; S222-L226 WeakPolarHBondContact O-CB 3.41Å; S222-L226 WeakPolarHBondContact O-CD1 3.38Å; S222-L226 WeakPolarHBondContact O-CG 3.4Å; S222-L226 PolarHBondContact O-N 3.49Å; S222-L226 VanDerWaalsContact O-N 3.08Å |
| 223 | S | 92.8 | Very high | 94.5 | Very high | 61 Ų | 61 | 47.3 Ų | 47.3 | 43% | 0.427 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -49.7 | -58.5 | 172 | 39.2 | 0 | 0 | 0 | 0 | 111 | H221 A225 L226 E227 | H221-S223 WeakPolarHBondContact CB-OG 3.48Å; S223-A225 VanDerWaalsContact C-N 3.32Å; S223-A225 PolarHBondContact O-N 3.23Å; S223-L226 PolarHBondContact O-N 2.94Å; S223-L226 VanDerWaalsContact O-N 3.08Å; S223-E227 WeakPolarHBondContact O-CB 3.32Å; S223-E227 PolarHBondContact O-N 3.3Å |
| 224 | D | 94.4 | Very high | 94.5 | Very high | 23 Ų | 23 | 49 Ų | 49 | 12% | 0.123 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.5 | -40.2 | -171.9 | -41.9 | 2.5 | 0 | 0 | 0 | 110.3 | V201 Y219 H221 L226 A228 | V201-D224 VanDerWaalsContact CG1-O 3.32Å; V201-D224 WeakPolarHBondContact CG1-O 3.39Å; Y219-D224 HydrophobicContact CD1-CB 3.4Å; Y219-D224 VanDerWaalsContact CD1-CB 3.4Å; Y219-D224 HydrophobicContact CE1-CB 3.87Å; Y219-D224 HydrophobicContact CG-CB 4Å; H221-D224 IonicContact CD2-OD2 3.43Å; D224-L226 VanDerWaalsContact C-N 3.34Å; D224-L226 PolarHBondContact O-N 3.42Å; D224-A228 VanDerWaalsContact O-CB 3.24Å; D224-A228 WeakPolarHBondContact O-CB 3.49Å; D224-A228 PolarHBondContact O-N 3.1Å |
| 225 | A | 93.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.2 | -36.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | F178 V180 Y219 S222 S223 I229 L246 | F178-A225 HydrophobicContact CB-CB 3.82Å; V180-A225 HydrophobicContact CG2-CB 3.76Å; Y219-A225 HydrophobicContact CD2-CB 3.85Å; Y219-A225 HydrophobicContact CG-CB 4.24Å; S222-A225 PolarHBondContact O-N 2.74Å; S223-A225 VanDerWaalsContact C-N 3.32Å; S223-A225 PolarHBondContact O-N 3.23Å; A225-I229 VanDerWaalsContact O-CD1 3.26Å; A225-I229 WeakPolarHBondContact O-CD1 3.33Å; A225-I229 VanDerWaalsContact O-CG1 3.29Å; A225-I229 WeakPolarHBondContact O-CG1 3.28Å; A225-I229 PolarHBondContact O-N 3.3Å; A225-L246 HydrophobicContact CB-CD1 3.96Å |
| 226 | L | 93.9 | Very high | 94.4 | Very high | 53 Ų | 53 | 59.5 Ų | 59.5 | 28% | 0.277 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -77.9 | -42.3 | 178.6 | -68 | 170.5 | 0 | 0 | 0 | 111.8 | S222 S223 D224 A228 I229 E230 L246 L253 | S222-L226 WeakPolarHBondContact O-CB 3.41Å; S222-L226 WeakPolarHBondContact O-CD1 3.38Å; S222-L226 WeakPolarHBondContact O-CG 3.4Å; S222-L226 PolarHBondContact O-N 3.49Å; S222-L226 VanDerWaalsContact O-N 3.08Å; S223-L226 PolarHBondContact O-N 2.94Å; S223-L226 VanDerWaalsContact O-N 3.08Å; D224-L226 VanDerWaalsContact C-N 3.34Å; D224-L226 PolarHBondContact O-N 3.42Å; L226-A228 VanDerWaalsContact C-N 3.26Å; L226-A228 PolarHBondContact O-N 3.02Å; L226-I229 WeakPolarHBondContact O-CB 3.44Å; L226-I229 PolarHBondContact O-N 3.39Å; L226-I229 VanDerWaalsContact O-N 3.11Å; L226-E230 PolarHBondContact O-N 2.93Å; L226-L246 HydrophobicContact CD2-CD2 4.12Å; L226-L253 HydrophobicContact CD1-CD1 3.73Å; L226-L253 HydrophobicContact CD1-CD2 4.22Å; L226-L253 HydrophobicContact CD1-CG 4.14Å; L226-L253 HydrophobicContact CD2-CD1 3.55Å; L226-L253 HydrophobicContact CG-CD1 4.29Å |
| 227 | E | 95.5 | Very high | 94.4 | Very high | 69 Ų | 69 | 59.8 Ų | 59.8 | 32% | 0.322 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.3 | -38.9 | 173.7 | -173.5 | 174.7 | 140.5 | 0 | 0 | 111.3 | V201 S223 E230 R231 | V201-E227 HydrophobicContact CG1-CB 3.79Å; V201-E227 HydrophobicContact CG1-CG 3.76Å; S223-E227 WeakPolarHBondContact O-CB 3.32Å; S223-E227 PolarHBondContact O-N 3.3Å; E227-E230 PolarHBondContact O-N 3.48Å; E227-R231 WeakPolarHBondContact O-CB 3.47Å; E227-R231 WeakPolarHBondContact O-CG 3.48Å; E227-R231 PolarHBondContact O-N 3.26Å; E227-R231 IonicContact OE1-CZ 3.09Å; E227-R231 IonicContact OE1-NE 2.67Å; E227-R231 IonicContact OE1-NH1 2.66Å; E227-R231 PolarHBondContact OE1-NH1 3.33Å; E227-R231 IonicContact OE1-NH2 3.32Å; E227-R231 PolarHBondContact OE1-NH2 2.93Å |
| 228 | A | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F198 V201 Y219 D224 L226 Y232 | F198-A228 HydrophobicContact CD1-CB 4.06Å; F198-A228 HydrophobicContact CE1-CB 4.22Å; V201-A228 HydrophobicContact CB-CB 4.36Å; V201-A228 HydrophobicContact CG1-CB 4.05Å; V201-A228 HydrophobicContact CG2-CB 4.35Å; Y219-A228 HydrophobicContact CE2-CB 3.91Å; Y219-A228 WeakPolarHBondContact OH-CB 3.42Å; D224-A228 VanDerWaalsContact O-CB 3.24Å; D224-A228 WeakPolarHBondContact O-CB 3.49Å; D224-A228 PolarHBondContact O-N 3.1Å; L226-A228 VanDerWaalsContact C-N 3.26Å; L226-A228 PolarHBondContact O-N 3.02Å; A228-Y232 HydrophobicContact CB-CD2 4.45Å; A228-Y232 VanDerWaalsContact O-CB 3.24Å; A228-Y232 WeakPolarHBondContact O-CB 3.26Å; A228-Y232 WeakPolarHBondContact O-CD2 3.43Å; A228-Y232 PolarHBondContact O-N 3.19Å |
| 229 | I | 95.6 | Very high | 94.2 | Very high | 32 Ų | 32 | 65.6 Ų | 65.6 | 16% | 0.164 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.6 | -45 | 175.3 | -69.5 | 157.9 | 0 | 0 | 0 | 110.7 | V180 A225 L226 N233 V244 L246 | V180-I229 HydrophobicContact CG1-CG1 4.3Å; A225-I229 VanDerWaalsContact O-CD1 3.26Å; A225-I229 WeakPolarHBondContact O-CD1 3.33Å; A225-I229 VanDerWaalsContact O-CG1 3.29Å; A225-I229 WeakPolarHBondContact O-CG1 3.28Å; A225-I229 PolarHBondContact O-N 3.3Å; L226-I229 WeakPolarHBondContact O-CB 3.44Å; L226-I229 PolarHBondContact O-N 3.39Å; L226-I229 VanDerWaalsContact O-N 3.11Å; I229-N233 HydrophobicContact CG2-CB 4.36Å; I229-N233 WeakPolarHBondContact O-CB 3.4Å; I229-N233 PolarHBondContact O-N 2.93Å; I229-V244 HydrophobicContact CB-CG1 4.43Å; I229-V244 HydrophobicContact CG1-CB 4.39Å; I229-V244 HydrophobicContact CG1-CG1 3.7Å; I229-L246 HydrophobicContact CD1-CB 3.58Å; I229-L246 HydrophobicContact CD1-CD1 4.14Å; I229-L246 HydrophobicContact CD1-CG 4.37Å |
| 230 | E | 95.7 | Very high | 94.2 | Very high | 170 Ų | 170 | 70.7 Ų | 70.7 | 79% | 0.794 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -64.7 | -41.1 | -179.4 | -173.4 | 168.5 | -163.6 | 0 | 0 | 112.5 | L226 E227 | L226-E230 PolarHBondContact O-N 2.93Å; E227-E230 PolarHBondContact O-N 3.48Å |
| 231 | R | 95.2 | Very high | 94.4 | Very high | 134 Ų | 134 | 70.2 Ų | 70.2 | 51% | 0.506 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -76.1 | -32.9 | 179.8 | -72.3 | 178.5 | 177.5 | 166.1 | 8.2 | 114.7 | E227 | E227-R231 WeakPolarHBondContact O-CB 3.47Å; E227-R231 WeakPolarHBondContact O-CG 3.48Å; E227-R231 PolarHBondContact O-N 3.26Å; E227-R231 IonicContact OE1-CZ 3.09Å; E227-R231 IonicContact OE1-NE 2.67Å; E227-R231 IonicContact OE1-NH1 2.66Å; E227-R231 PolarHBondContact OE1-NH1 3.33Å; E227-R231 IonicContact OE1-NH2 3.32Å; E227-R231 PolarHBondContact OE1-NH2 2.93Å |
| 232 | Y | 96.3 | Very high | 94.7 | Very high | 12 Ų | 12 | 65.1 Ų | 65.1 | 5% | 0.047 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -111.8 | -18.7 | -168 | -68.1 | -53.1 | 0 | 0 | 0 | 115.4 | L197 F198 S200 V201 A228 G234 R235 M242 | L197-Y232 HydrophobicContact CD1-CD1 4.18Å; L197-Y232 HydrophobicContact CD1-CE1 3.42Å; L197-Y232 VanDerWaalsContact CD1-CE1 3.42Å; L197-Y232 HydrophobicContact CD2-CD1 4.33Å; L197-Y232 HydrophobicContact CD2-CE1 4.34Å; L197-Y232 HydrophobicContact CG-CD1 4.2Å; L197-Y232 HydrophobicContact CG-CE1 3.77Å; L197-Y232 HydrophobicContact CG-CE2 4.37Å; L197-Y232 PolarHBondContact O-OH 3.14Å; F198-Y232 HydrophobicContact CD1-CD2 4.09Å; F198-Y232 AromaticContact CE1-CD2 3.85Å; F198-Y232 HydrophobicContact CE1-CD2 3.85Å; F198-Y232 HydrophobicContact CE1-CG 4.43Å; F198-Y232 HydrophobicContact CZ-CD2 4.25Å; F198-Y232 HydrophobicContact CZ-CG 4.45Å; S200-Y232 PolarHBondContact OG-OH 2.82Å; V201-Y232 HydrophobicContact CG2-CD2 4.31Å; V201-Y232 HydrophobicContact CG2-CE2 3.52Å; A228-Y232 HydrophobicContact CB-CD2 4.45Å; A228-Y232 VanDerWaalsContact O-CB 3.24Å; A228-Y232 WeakPolarHBondContact O-CB 3.26Å; A228-Y232 WeakPolarHBondContact O-CD2 3.43Å; A228-Y232 PolarHBondContact O-N 3.19Å; Y232-G234 PolarHBondContact O-N 2.85Å; Y232-G234 VanDerWaalsContact O-N 3.14Å; Y232-R235 PolarHBondContact O-N 2.61Å; Y232-R235 VanDerWaalsContact O-N 3.11Å; Y232-M242 HydrophobicContact CD1-CE 4.04Å; Y232-M242 HydrophobicContact CG-CE 4.08Å |
| 233 | N | 96 | Very high | 94.9 | Very high | 91 Ų | 91 | 70.9 Ų | 70.9 | 49% | 0.487 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | 113.7 | 178 | -176.1 | 48.8 | 0 | 0 | 0 | 111.4 | I229 V244 | I229-N233 HydrophobicContact CG2-CB 4.36Å; I229-N233 WeakPolarHBondContact O-CB 3.4Å; I229-N233 PolarHBondContact O-N 2.93Å; N233-V244 HydrophobicContact CB-CB 4.1Å; N233-V244 HydrophobicContact CB-CG2 4.48Å; N233-V244 PolarHBondContact OD1-N 2.89Å; N233-V244 VanDerWaalsContact OD1-N 3.14Å; N233-V244 PolarHBondContact OD1-O 2.81Å |
| 234 | G | 95.3 | Very high | 95.1 | Very high | 49 Ų | 49 | 68.2 Ų | 68.2 | 51% | 0.505 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | -5.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y232 M242 | Y232-G234 PolarHBondContact O-N 2.85Å; Y232-G234 VanDerWaalsContact O-N 3.14Å; G234-M242 WeakPolarHBondContact CA-O 3.48Å; G234-M242 PolarHBondContact N-O 3.41Å |
| 235 | R | 95.8 | Very high | 95.1 | Very high | 142 Ų | 142 | 69.2 Ų | 69.2 | 54% | 0.536 | 35% | 0.349 | S | S | . | . | trans | -73.2 | 141.1 | 175 | -173 | 175.6 | 176.3 | 168 | -6.8 | 110.3 | Y232 M242 | Y232-R235 PolarHBondContact O-N 2.61Å; Y232-R235 VanDerWaalsContact O-N 3.11Å; R235-M242 WeakPolarHBondContact O-CB 3.47Å; R235-M242 PolarHBondContact O-N 2.76Å | ||
| 236 | E | 94.6 | Very high | 95.1 | Very high | 136 Ų | 136 | 71.6 Ų | 71.6 | 64% | 0.636 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 133.4 | 177.2 | -64.4 | -179.7 | 175.6 | 0 | 0 | 111.7 | R240 P241 | E236-R240 WeakPolarHBondContact CA-O 3.32Å; E236-P241 HydrophobicContact CG-CB 4.46Å |
| 237 | L | 93.5 | Very high | 94.9 | Very high | 35 Ų | 35 | 72.1 Ų | 72.1 | 18% | 0.183 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 125.5 | 165.8 | -171.5 | 68.2 | 0 | 0 | 0 | 106.6 | L185 V189 L197 G239 R240 | L185-L237 HydrophobicContact CD2-CD2 4.14Å; V189-L237 HydrophobicContact CG1-CD2 3.84Å; V189-L237 HydrophobicContact CG2-CD2 3.87Å; V189-L237 HydrophobicContact CG2-CG 4.31Å; L197-L237 HydrophobicContact CD2-CD1 4.45Å; L197-L237 HydrophobicContact CD2-CD2 4.35Å; L237-G239 PolarHBondContact O-N 2.79Å; L237-R240 PolarHBondContact N-O 3.27Å; L237-R240 PolarHBondContact O-N 2.96Å |
| 238 | D | 93.4 | Very high | 94.3 | Very high | 94 Ų | 94 | 69.4 Ų | 69.4 | 50% | 0.503 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.8 | 43 | -172.5 | -50.3 | -30.7 | 0 | 0 | 0 | 114.7 | Q186 V189 R240 | Q186-D238 HydrophobicContact CB-CB 4.26Å; V189-D238 WeakPolarHBondContact CG2-OD2 3.38Å; D238-R240 VanDerWaalsContact C-N 3.27Å; D238-R240 PolarHBondContact O-N 2.68Å |
| 239 | G | 93.5 | Very high | 93 | Very high | 61 Ų | 61 | 73.2 Ų | 73.2 | 63% | 0.629 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 14.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L237 | L237-G239 PolarHBondContact O-N 2.79Š|
| 240 | R | 94 | Very high | 91.4 | Very high | 107 Ų | 107 | 72.5 Ų | 72.5 | 40% | 0.404 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 130.2 | 171 | -72.7 | -173.4 | 168.3 | -163.2 | -5.2 | 111.9 | L185 E236 L237 D238 M242 | L185-R240 PolarHBondContact O-NH1 3.46Å; E236-R240 WeakPolarHBondContact CA-O 3.32Å; L237-R240 PolarHBondContact N-O 3.27Å; L237-R240 PolarHBondContact O-N 2.96Å; D238-R240 VanDerWaalsContact C-N 3.27Å; D238-R240 PolarHBondContact O-N 2.68Å; R240-M242 PolarHBondContact O-N 3.33Å; R240-M242 VanDerWaalsContact O-N 3.14Å |
| 241 | P | 96.3 | Very high | 89.7 | Confident | 59 Ų | 59 | 68.2 Ų | 68.2 | 38% | 0.383 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 112 | 176.1 | 28 | -33.6 | 0 | 0 | 0 | 110.1 | N184 E236 | N184-P241 PolarHBondContact ND2-O 3.5Å; E236-P241 HydrophobicContact CG-CB 4.46Å |
| 242 | M | 96.3 | Very high | 87.8 | Confident | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.01 | 38% | 0.375 | C | S | . | . | trans | -65.3 | 141.4 | 176.5 | 176.3 | 171.8 | 36.4 | 0 | 0 | 110.5 | I182 L185 L197 F198 Y232 G234 R235 R240 V244 | I182-M242 HydrophobicContact CG2-CG 3.51Å; I182-M242 HydrophobicContact CG2-SD 3.41Å; I182-M242 WeakPolarHBondContact CG2-SD 3.47Å; L185-M242 HydrophobicContact CD2-CB 4.12Å; L185-M242 HydrophobicContact CD2-CG 3.77Å; L185-M242 HydrophobicContact CD2-SD 3.84Å; L197-M242 HydrophobicContact CD2-CE 3.63Å; L197-M242 HydrophobicContact CD2-SD 4.39Å; F198-M242 HydrophobicContact CE2-CE 4.43Å; F198-M242 HydrophobicContact CE2-SD 3.72Å; F198-M242 HydrophobicContact CZ-CE 4.32Å; F198-M242 HydrophobicContact CZ-SD 3.65Å; Y232-M242 HydrophobicContact CD1-CE 4.04Å; Y232-M242 HydrophobicContact CG-CE 4.08Å; G234-M242 WeakPolarHBondContact CA-O 3.48Å; G234-M242 PolarHBondContact N-O 3.41Å; R235-M242 WeakPolarHBondContact O-CB 3.47Å; R235-M242 PolarHBondContact O-N 2.76Å; R240-M242 PolarHBondContact O-N 3.33Å; R240-M242 VanDerWaalsContact O-N 3.14Å; M242-V244 HydrophobicContact CE-CG2 4.43Å; M242-V244 HydrophobicContact CG-CG2 3.68Å; M242-V244 HydrophobicContact SD-CG2 3.87Å | ||
| 243 | R | 96.3 | Very high | 85.8 | Confident | 158 Ų | 158 | 72.1 Ų | 72.1 | 60% | 0.596 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115 | 115.5 | 175.7 | -66.1 | -178.6 | 63.7 | -175.7 | 0.3 | 109 | I182 R183 N184 | I182-R243 CarbonylContact C-O 3.59Å; I182-R243 WeakPolarHBondContact CA-O 3.39Å; R183-R243 HydrophobicContact CB-CB 4.23Å; R183-R243 PolarHBondContact N-O 3.26Å; R183-R243 PolarHBondContact O-N 3.46Å; N184-R243 HydrophobicContact CB-CG 4.29Å |
| 244 | V | 96.4 | Very high | 83.5 | Confident | 5 Ų | 5 | 71.9 Ų | 71.9 | 3% | 0.03 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 129.4 | -175 | -167.3 | 0 | 0 | 0 | 0 | 108.7 | V180 F198 I229 N233 M242 | V180-V244 HydrophobicContact CG1-CG1 3.26Å; F198-V244 HydrophobicContact CE1-CG1 4Å; F198-V244 HydrophobicContact CE1-CG2 4.43Å; F198-V244 HydrophobicContact CZ-CG1 4.25Å; F198-V244 HydrophobicContact CZ-CG2 4Å; I229-V244 HydrophobicContact CB-CG1 4.43Å; I229-V244 HydrophobicContact CG1-CB 4.39Å; I229-V244 HydrophobicContact CG1-CG1 3.7Å; N233-V244 HydrophobicContact CB-CB 4.1Å; N233-V244 HydrophobicContact CB-CG2 4.48Å; N233-V244 PolarHBondContact OD1-N 2.89Å; N233-V244 VanDerWaalsContact OD1-N 3.14Å; N233-V244 PolarHBondContact OD1-O 2.81Å; M242-V244 HydrophobicContact CE-CG2 4.43Å; M242-V244 HydrophobicContact CG-CG2 3.68Å; M242-V244 HydrophobicContact SD-CG2 3.87Å |
| 245 | S | 95 | Very high | 81.2 | Confident | 44 Ų | 44 | 72.6 Ų | 72.6 | 31% | 0.308 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 140.9 | -176.9 | 52 | 0 | 0 | 0 | 0 | 112.5 | E181 | E181-S245 PolarHBondContact N-O 2.92Å; E181-S245 PolarHBondContact O-N 2.8Å; E181-S245 PolarHBondContact O-OG 2.67Å |
| 246 | L | 92.8 | Very high | 79.1 | Confident | 50 Ų | 50 | 73.1 Ų | 73.1 | 26% | 0.262 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 125.5 | 177.1 | -163.5 | 67.3 | 0 | 0 | 0 | 111 | V180 A225 L226 I229 T248 V250 | V180-L246 HydrophobicContact CG2-CD1 4.07Å; A225-L246 HydrophobicContact CB-CD1 3.96Å; L226-L246 HydrophobicContact CD2-CD2 4.12Å; I229-L246 HydrophobicContact CD1-CB 3.58Å; I229-L246 HydrophobicContact CD1-CD1 4.14Å; I229-L246 HydrophobicContact CD1-CG 4.37Å; L246-T248 VanDerWaalsContact CD2-O 3.29Å; L246-T248 WeakPolarHBondContact CD2-O 3.44Å; L246-T248 VanDerWaalsContact CG-O 3.26Å; L246-T248 WeakPolarHBondContact CG-O 3.47Å; L246-V250 HydrophobicContact CD2-CB 4.19Å; L246-V250 HydrophobicContact CD2-CG2 3.68Å |
| 247 | T | 89.9 | Confident | 77.3 | Confident | 64 Ų | 64 | 77.4 Ų | 77.4 | 39% | 0.393 | 42% | 0.416 | S | S | . | . | trans | -96.6 | -33.6 | 178.1 | -47.3 | 0 | 0 | 0 | 0 | 111.9 | R179 E181 | R179-T247 PolarHBondContact O-N 3.44Å; E181-T247 WeakPolarHBondContact CB-OG1 3.43Å | ||
| 248 | T | 83.4 | Confident | 75.3 | Confident | 13 Ų | 13 | 80.5 Ų | 80.5 | 8% | 0.08 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -81.7 | 119.4 | 172.7 | 43.9 | 0 | 0 | 0 | 0 | 110.9 | F178 R179 L246 V250 | F178-T248 VanDerWaalsContact CA-OG1 3.32Å; F178-T248 WeakPolarHBondContact CA-OG1 3.42Å; R179-T248 HydrophobicContact CB-CG2 3.87Å; R179-T248 PolarHBondContact N-OG1 2.79Å; R179-T248 PolarHBondContact O-N 3.29Å; L246-T248 VanDerWaalsContact CD2-O 3.29Å; L246-T248 WeakPolarHBondContact CD2-O 3.44Å; L246-T248 VanDerWaalsContact CG-O 3.26Å; L246-T248 WeakPolarHBondContact CG-O 3.47Å; T248-V250 PolarHBondContact O-N 3.34Å |
| 249 | P | 67.1 | Low | 73.5 | Confident | 79 Ų | 79 | 79 Ų | 79 | 51% | 0.513 | 43% | 0.427 | S | S | . | . | trans | -66.3 | 105.9 | 176.7 | 26.6 | -34.1 | 0 | 0 | 0 | 110.9 | I172 S251 | I172-P249 HydrophobicContact CD1-CG 3.83Å; P249-S251 PolarHBondContact O-N 3.1Å | ||
| 250 | V | 63.3 | Low | 71.5 | Confident | 18 Ų | 18 | 80.6 Ų | 80.6 | 11% | 0.109 | 43% | 0.429 | C | S | . | . | trans | -62.2 | 120.4 | 165 | 167 | 0 | 0 | 0 | 0 | 107.4 | F178 L246 T248 D252 L253 | F178-V250 HydrophobicContact CD1-CG2 3.55Å; F178-V250 HydrophobicContact CE1-CG2 3.63Å; L246-V250 HydrophobicContact CD2-CB 4.19Å; L246-V250 HydrophobicContact CD2-CG2 3.68Å; T248-V250 PolarHBondContact O-N 3.34Å; V250-D252 HydrophobicContact CG1-CB 4.26Å; V250-D252 PolarHBondContact O-N 3.41Å; V250-L253 HydrophobicContact CB-CD1 4.49Å; V250-L253 HydrophobicContact CG1-CD1 4.45Å; V250-L253 HydrophobicContact CG1-CG 4.17Å | ||
| 251 | S | 59 | Low | 69.7 | Low | 79 Ų | 79 | 78.5 Ų | 78.5 | 55% | 0.552 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -5.3 | -173.7 | -68 | 0 | 0 | 0 | 0 | 113.6 | P249 | P249-S251 PolarHBondContact O-N 3.1Š|
| 252 | D | 56.2 | Low | 67.7 | Low | 133 Ų | 133 | 85 Ų | 85 | 71% | 0.711 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.5 | 3.8 | -166.9 | -48.7 | -65.2 | 0 | 0 | 0 | 113.6 | V250 | V250-D252 HydrophobicContact CG1-CB 4.26Å; V250-D252 PolarHBondContact O-N 3.41Å |
| 253 | L | 53.7 | Low | 65.7 | Low | 95 Ų | 95 | 91.9 Ų | 91.9 | 50% | 0.497 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -92 | 124 | 168.5 | -77.9 | 172.8 | 0 | 0 | 0 | 110.2 | L226 V250 S255 | L226-L253 HydrophobicContact CD1-CD1 3.73Å; L226-L253 HydrophobicContact CD1-CD2 4.22Å; L226-L253 HydrophobicContact CD1-CG 4.14Å; L226-L253 HydrophobicContact CD2-CD1 3.55Å; L226-L253 HydrophobicContact CG-CD1 4.29Å; V250-L253 HydrophobicContact CB-CD1 4.49Å; V250-L253 HydrophobicContact CG1-CD1 4.45Å; V250-L253 HydrophobicContact CG1-CG 4.17Å; L253-S255 VanDerWaalsContact C-N 3.32Å; L253-S255 PolarHBondContact O-N 3.35Å |
| 254 | P | 47.4 | Very low | 63.8 | Low | 87 Ų | 87 | 87.8 Ų | 87.8 | 57% | 0.565 | 49% | 0.485 | S | S | * | . | trans | -65.8 | 98 | 162.5 | 28.3 | -31.2 | 0 | 0 | 0 | 108 | E256 | P254-E256 PolarHBondContact O-N 3.31Š| ||
| 255 | S | 47.1 | Very low | 62 | Low | 63 Ų | 63 | 92.4 Ų | 92.4 | 44% | 0.441 | 52% | 0.518 | S | S | . | . | trans | -60.3 | 96.4 | 157.4 | 176.1 | 0 | 0 | 0 | 0 | 107.2 | L253 R257 D258 | L253-S255 VanDerWaalsContact C-N 3.32Å; L253-S255 PolarHBondContact O-N 3.35Å; S255-R257 PolarHBondContact O-N 3.28Å; S255-D258 PolarHBondContact O-N 3.33Å; S255-D258 VanDerWaalsContact O-N 3.13Å | ||
| 256 | E | 51.8 | Low | 60.3 | Low | 153 Ų | 153 | 101.3 Ų | 101.3 | 72% | 0.715 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 9.8 | 175.3 | -78.1 | -66.8 | 103.2 | 0 | 0 | 114.2 | P254 | P254-E256 PolarHBondContact O-N 3.31Š|
| 257 | R | 56.7 | Low | 58.5 | Low | 226 Ų | 226 | 105.6 Ų | 105.6 | 85% | 0.853 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | -14.6 | -179.6 | -56.6 | -175.3 | -170.9 | 159.9 | 6.7 | 113.5 | S255 | S255-R257 PolarHBondContact O-N 3.28Š|
| 258 | D | 52.5 | Low | 56.7 | Low | 100 Ų | 100 | 105.1 Ų | 105.1 | 54% | 0.535 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -131.1 | -13 | -175.6 | -71.9 | -66.5 | 0 | 0 | 0 | 115.7 | S255 | S255-D258 PolarHBondContact O-N 3.33Å; S255-D258 VanDerWaalsContact O-N 3.13Å |
| 259 | T | 53.7 | Low | 55.7 | Low | 63 Ų | 63 | 108.8 Ų | 108.8 | 39% | 0.387 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -73 | -42.6 | -179.1 | 48.7 | 0 | 0 | 0 | 0 | 112.9 | A261 R262 M263 | T259-A261 VanDerWaalsContact C-N 3.28Å; T259-A261 PolarHBondContact O-N 3.13Å; T259-R262 PolarHBondContact O-N 3.12Å; T259-R262 VanDerWaalsContact O-N 3.1Å; T259-M263 PolarHBondContact O-N 3.25Å |
| 260 | S | 52.4 | Low | 54.8 | Low | 94 Ų | 94 | 112.3 Ų | 112.3 | 66% | 0.657 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -57.4 | -36.9 | -177.4 | -173.1 | 0 | 0 | 0 | 0 | 113.2 | R262 A264 | S260-R262 PolarHBondContact O-N 2.93Å; S260-A264 WeakPolarHBondContact O-CB 3.31Å; S260-A264 PolarHBondContact O-N 3.24Å |
| 261 | A | 56 | Low | 54.1 | Low | 64 Ų | 64 | 121.6 Ų | 121.6 | 53% | 0.529 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -70.8 | -29.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | T259 S265 | T259-A261 VanDerWaalsContact C-N 3.28Å; T259-A261 PolarHBondContact O-N 3.13Å; A261-S265 PolarHBondContact O-N 2.93Å; A261-S265 PolarHBondContact O-OG 3.12Å |
| 262 | R | 54.8 | Low | 53.5 | Low | 196 Ų | 196 | 120.2 Ų | 120.2 | 74% | 0.74 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -85.2 | -32.4 | -174.4 | -67.2 | -176.7 | 179.5 | -176.2 | 1.7 | 113.1 | T259 S260 | T259-R262 PolarHBondContact O-N 3.12Å; T259-R262 VanDerWaalsContact O-N 3.1Å; S260-R262 PolarHBondContact O-N 2.93Å |
| 263 | M | 53.4 | Low | 53 | Low | 146 Ų | 146 | 123.8 Ų | 123.8 | 72% | 0.719 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -78.4 | -39 | 171.1 | -80 | -178 | 171.2 | 0 | 0 | 112.6 | T259 S265 R266 L267 | T259-M263 PolarHBondContact O-N 3.25Å; M263-S265 PolarHBondContact O-N 3.09Å; M263-S265 VanDerWaalsContact O-N 3.09Å; M263-R266 PolarHBondContact O-N 2.71Å; M263-L267 PolarHBondContact O-N 3.45Å; M263-L267 VanDerWaalsContact O-N 3.08Å |
| 264 | A | 56.5 | Low | 52.5 | Low | 71 Ų | 71 | 126.4 Ų | 126.4 | 59% | 0.587 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -12.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S260 | S260-A264 WeakPolarHBondContact O-CB 3.31Å; S260-A264 PolarHBondContact O-N 3.24Å |
| 265 | S | 58.6 | Low | 52.5 | Low | 103 Ų | 103 | 129.9 Ų | 129.9 | 72% | 0.72 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -11.5 | 173.5 | -60 | 0 | 0 | 0 | 0 | 113.8 | A261 M263 | A261-S265 PolarHBondContact O-N 2.93Å; A261-S265 PolarHBondContact O-OG 3.12Å; M263-S265 PolarHBondContact O-N 3.09Å; M263-S265 VanDerWaalsContact O-N 3.09Å |
| 266 | R | 59.3 | Low | 52.5 | Low | 231 Ų | 231 | 133.2 Ų | 133.2 | 87% | 0.872 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | -30.2 | 178.6 | -77 | -174 | 162.3 | -158.7 | -5.6 | 113.1 | M263 G268 | M263-R266 PolarHBondContact O-N 2.71Å; R266-G268 PolarHBondContact O-N 3.25Å |
| 267 | L | 56.5 | Low | 52.2 | Low | 139 Ų | 139 | 134.6 Ų | 134.6 | 73% | 0.728 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -83.6 | 94.8 | 166.4 | -66.8 | 169 | 0 | 0 | 0 | 108 | M263 | M263-L267 PolarHBondContact O-N 3.45Å; M263-L267 VanDerWaalsContact O-N 3.08Å |
| 268 | G | 52.4 | Low | 51.9 | Low | 54 Ų | 54 | 129.3 Ų | 129.3 | 56% | 0.557 | 68% | 0.683 | S | S | * | * | trans | -55.1 | 158.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R266 N270 | R266-G268 PolarHBondContact O-N 3.25Å; G268-N270 PolarHBondContact O-N 3.13Å | ||
| 269 | P | 61.6 | Low | 51.7 | Low | 91 Ų | 91 | 133.3 Ų | 133.3 | 59% | 0.591 | 70% | 0.698 | S | S | * | * | trans | -54.8 | 111.2 | -172.9 | 20.7 | -32.7 | 0 | 0 | 0 | 111.5 | Y271 | P269-Y271 HydrophobicContact CB-CE1 4.16Å; P269-Y271 HydrophobicContact CB-CE2 3.91Å; P269-Y271 HydrophobicContact CG-CE2 3.67Å; P269-Y271 VanDerWaalsContact CG-OH 3.32Å; P269-Y271 WeakPolarHBondContact CG-OH 3.5Å; P269-Y271 WeakPolarHBondContact O-CD2 3.42Å; P269-Y271 WeakPolarHBondContact O-CE2 3.2Å; P269-Y271 PolarHBondContact O-N 3.1Å | ||
| 270 | N | 48.4 | Very low | 51.3 | Low | 152 Ų | 152 | 135.1 Ų | 135.1 | 81% | 0.813 | 72% | 0.72 | S | S | * | * | trans | -77.3 | 92.1 | -178.9 | -170.1 | 6.3 | 0 | 0 | 0 | 109.4 | G268 G272 | G268-N270 PolarHBondContact O-N 3.13Å; N270-G272 PolarHBondContact O-N 3.15Å | ||
| 271 | Y | 48.5 | Very low | 51 | Low | 214 Ų | 214 | 139.6 Ų | 139.6 | 84% | 0.839 | 73% | 0.727 | S | S | * | * | trans | -73.5 | 64.9 | 175.6 | -56.2 | -73.5 | 0 | 0 | 0 | 110.7 | P269 | P269-Y271 HydrophobicContact CB-CE1 4.16Å; P269-Y271 HydrophobicContact CB-CE2 3.91Å; P269-Y271 HydrophobicContact CG-CE2 3.67Å; P269-Y271 VanDerWaalsContact CG-OH 3.32Å; P269-Y271 WeakPolarHBondContact CG-OH 3.5Å; P269-Y271 WeakPolarHBondContact O-CD2 3.42Å; P269-Y271 WeakPolarHBondContact O-CE2 3.2Å; P269-Y271 PolarHBondContact O-N 3.1Å | ||
| 272 | G | 46.1 | Very low | 50.9 | Low | 50 Ų | 50 | 145.4 Ų | 145.4 | 52% | 0.515 | 74% | 0.744 | S | S | . | * | trans | -123.5 | 82.5 | -163.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | N270 | N270-G272 PolarHBondContact O-N 3.15Š| ||
| 273 | R | 44.8 | Very low | 50.7 | Low | 207 Ų | 207 | 142.8 Ų | 142.8 | 78% | 0.781 | 75% | 0.749 | S | S | * | * | trans | 59.7 | 123.2 | 150.3 | -73.9 | -176.7 | 164.3 | -167.7 | -0.4 | 121.6 | ||||
| 274 | K | 44.7 | Very low | 50.7 | Low | 150 Ų | 150 | 143.5 Ų | 143.5 | 65% | 0.652 | 75% | 0.754 | S | S | * | * | 64.9 | 143.6 | 127.3 | -59.4 | 179.2 | -179.1 | -168 | 0 | 118.2 | |||||
| 275 | Q | 46.7 | Very low | 50.3 | Low | 160 Ų | 160 | 150.7 Ų | 150.7 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | cis | -165.9 | 128.1 | -1.1 | -113.4 | 163.7 | -17.8 | 0 | 0 | 108.1 | ||||
| 276 | T | 47 | Very low | 50 | Low | 134 Ų | 134 | 154.6 Ų | 154.6 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | 160.8 | 100.2 | 154.2 | 35.7 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 277 | E | 46.1 | Very low | 49.5 | Very low | 181 Ų | 181 | 149 Ų | 149 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | 53.5 | 90.9 | 73.4 | -130.4 | 172.8 | -165 | 0 | 0 | 110.3 | |||||
| 278 | T | 50.9 | Low | 49.3 | Very low | 115 Ų | 115 | 150.4 Ų | 150.4 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | -168 | 161.9 | 72.6 | 17.5 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 279 | Q | 47 | Very low | 49 | Very low | 184 Ų | 184 | 156 Ų | 156 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | S | Bend | trans | 63.2 | 70.5 | 155.3 | -65 | 169.7 | 84 | 0 | 0 | 119.6 | ||
| 280 | A | 46.2 | Very low | 48.6 | Very low | 101 Ų | 101 | 161.6 Ų | 161.6 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | -166.2 | 66.8 | 152.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 281 | K | 45.5 | Very low | 48.4 | Very low | 188 Ų | 188 | 159.4 Ų | 159.4 | 82% | 0.817 | 81% | 0.806 | S | S | * | * | trans | -139.5 | 72.7 | 175.7 | -83.4 | -171.4 | 177.3 | 172.2 | 0 | 112.6 | ||||
| 282 | Q | 54.9 | Low | 48.1 | Very low | 186 Ų | 186 | 153.3 Ų | 153.3 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | trans | -148.7 | 165.8 | 161.3 | -100.7 | 160.4 | -21.5 | 0 | 0 | 107.1 | ||||
| 283 | V | 50.2 | Low | 48.6 | Very low | 141 Ų | 141 | 157 Ų | 157 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | S | Bend | trans | 87.1 | -16.7 | 174.2 | -168.9 | 0 | 0 | 0 | 0 | 118.9 | ||
| 284 | I | 52.9 | Low | 49.1 | Very low | 162 Ų | 162 | 152.6 Ų | 152.6 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | trans | -135.2 | 68.5 | 175.4 | -40.8 | 178.6 | 0 | 0 | 0 | 113.4 | ||||
| 285 | R | 48.8 | Very low | 49.9 | Very low | 221 Ų | 221 | 151.2 Ų | 151.2 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | trans | -147.8 | 59 | 172.8 | -83.3 | -172.6 | 166 | -177.3 | -8.6 | 112.1 | ||||
| 286 | E | 51.3 | Low | 50.9 | Low | 185 Ų | 185 | 152.2 Ų | 152.2 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -148.8 | 17 | -169.4 | -125.4 | 149 | -147.7 | 0 | 0 | 116 | ||
| 287 | S | 48.5 | Very low | 52.2 | Low | 113 Ų | 113 | 150.5 Ų | 150.5 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -143.8 | 8.3 | -168.7 | -42.5 | 0 | 0 | 0 | 0 | 117.5 | ||
| 288 | L | 53.6 | Low | 53.8 | Low | 169 Ų | 169 | 146.3 Ų | 146.3 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | trans | -138.6 | 47.9 | -172.4 | -73.1 | 169.6 | 0 | 0 | 0 | 113.8 | ||||
| 289 | N | 44.5 | Very low | 55.3 | Low | 172 Ų | 172 | 143.5 Ų | 143.5 | 92% | 0.92 | 78% | 0.782 | S | S | * | * | trans | -130.7 | 66.5 | 170.7 | -89.2 | -8.1 | 0 | 0 | 0 | 110.7 | ||||
| 290 | K | 53.2 | Low | 56.8 | Low | 209 Ų | 209 | 139 Ų | 139 | 91% | 0.909 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -154.5 | 38 | 172.8 | -140.8 | 178.9 | -176.6 | -178.2 | 0 | 117.4 | ||
| 291 | S | 45.9 | Very low | 58.5 | Low | 106 Ų | 106 | 138.2 Ų | 138.2 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | trans | -167.2 | 109.3 | 155.3 | 42.7 | 0 | 0 | 0 | 0 | 110.8 | I293 | S291-I293 PolarHBondContact O-N 2.99Š| ||
| 292 | G | 41.7 | Very low | 60.1 | Low | 85 Ų | 85 | 132.4 Ų | 132.4 | 88% | 0.876 | 73% | 0.728 | S | S | * | * | trans | -85.8 | 87.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 293 | I | 56.6 | Low | 61.1 | Low | 129 Ų | 129 | 129.5 Ų | 129.5 | 66% | 0.662 | 71% | 0.71 | S | S | * | * | trans | -120.8 | 117.1 | 169.2 | -56.9 | 175.1 | 0 | 0 | 0 | 107.4 | S291 V295 | S291-I293 PolarHBondContact O-N 2.99Å; I293-V295 PolarHBondContact O-N 2.68Å; I293-V295 VanDerWaalsContact O-N 3.14Å | ||
| 294 | P | 54.8 | Low | 62.6 | Low | 113 Ų | 113 | 128 Ų | 128 | 73% | 0.734 | 69% | 0.691 | S | S | * | * | trans | -67.9 | 111.2 | 169.4 | 28.6 | -31.3 | 0 | 0 | 0 | 108.1 | E296 | P294-E296 VanDerWaalsContact C-N 3.26Å; P294-E296 PolarHBondContact O-N 2.87Å | ||
| 295 | V | 61.7 | Low | 63.9 | Low | 122 Ų | 122 | 124.3 Ų | 124.3 | 74% | 0.739 | 69% | 0.685 | S | S | * | * | trans | -79.8 | 81.1 | 176.1 | -175.4 | 0 | 0 | 0 | 0 | 108.3 | I293 V297 | I293-V295 PolarHBondContact O-N 2.68Å; I293-V295 VanDerWaalsContact O-N 3.14Å; V295-V297 HydrophobicContact CG1-CG2 4.34Å; V295-V297 PolarHBondContact O-N 3.16Å | ||
| 296 | E | 67.3 | Low | 65.6 | Low | 180 Ų | 180 | 119.7 Ų | 119.7 | 84% | 0.841 | 68% | 0.677 | S | S | * | * | trans | -61.4 | 120.4 | 159.8 | -70.5 | -166.4 | 141.2 | 0 | 0 | 108.2 | P294 D298 | P294-E296 VanDerWaalsContact C-N 3.26Å; P294-E296 PolarHBondContact O-N 2.87Å; E296-D298 PolarHBondContact O-N 2.76Å | ||
| 297 | V | 74.1 | Confident | 67.1 | Low | 98 Ų | 98 | 117.7 Ų | 117.7 | 59% | 0.594 | 67% | 0.665 | S | S | * | * | trans | -90.1 | 104 | 177 | -173.2 | 0 | 0 | 0 | 0 | 107.5 | V295 A299 V302 | V295-V297 HydrophobicContact CG1-CG2 4.34Å; V295-V297 PolarHBondContact O-N 3.16Å; V297-A299 PolarHBondContact O-N 3.07Å; V297-V302 HydrophobicContact CG1-CG2 3.85Å | ||
| 298 | D | 80.4 | Confident | 68.1 | Low | 94 Ų | 94 | 118.9 Ų | 118.9 | 50% | 0.503 | 66% | 0.663 | S | S | . | * | trans | -51.8 | 134.9 | -178.4 | 175.3 | 27 | 0 | 0 | 0 | 112.5 | E296 D300 V301 V302 | E296-D298 PolarHBondContact O-N 2.76Å; D298-D300 PolarHBondContact O-N 3.02Å; D298-D300 PolarHBondContact OD1-N 3.33Å; D298-V301 HydrophobicContact CB-CG2 4.15Å; D298-V301 WeakPolarHBondContact O-CB 3.38Å; D298-V301 PolarHBondContact O-N 2.89Å; D298-V302 PolarHBondContact O-N 3.29Å | ||
| 299 | A | 81.8 | Confident | 68.9 | Low | 56 Ų | 56 | 115.1 Ų | 115.1 | 46% | 0.463 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -63.1 | -27.4 | -174 | 0 | 0 | 0 | 0 | 0 | 112.5 | V297 V302 R303 | V297-A299 PolarHBondContact O-N 3.07Å; A299-V302 PolarHBondContact O-N 3.44Å; A299-R303 PolarHBondContact O-N 3.43Å |
| 300 | D | 79.7 | Confident | 69.6 | Low | 89 Ų | 89 | 111.3 Ų | 111.3 | 48% | 0.476 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -66.5 | -38.5 | 172.8 | -75.2 | -16.1 | 0 | 0 | 0 | 111.8 | D298 R303 K304 | D298-D300 PolarHBondContact O-N 3.02Å; D298-D300 PolarHBondContact OD1-N 3.33Å; D300-R303 PolarHBondContact O-N 3.23Å; D300-R303 IonicContact OD1-CZ 2.85Å; D300-R303 IonicContact OD1-NH1 2.94Å; D300-R303 PolarHBondContact OD1-NH1 3.46Å; D300-R303 IonicContact OD1-NH2 2.64Å; D300-R303 PolarHBondContact OD1-NH2 2.89Å; D300-K304 VanDerWaalsContact O-CB 3.24Å; D300-K304 WeakPolarHBondContact O-CB 3.43Å; D300-K304 PolarHBondContact O-N 3.38Å |
| 301 | V | 80.7 | Confident | 69.5 | Low | 85 Ų | 85 | 105.9 Ų | 105.9 | 52% | 0.515 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.9 | -42.3 | 175.8 | -178.7 | 0 | 0 | 0 | 0 | 110.5 | D298 K304 A305 | D298-V301 HydrophobicContact CB-CG2 4.15Å; D298-V301 WeakPolarHBondContact O-CB 3.38Å; D298-V301 PolarHBondContact O-N 2.89Å; V301-K304 PolarHBondContact O-N 3.08Å; V301-A305 WeakPolarHBondContact O-CB 3.35Å; V301-A305 PolarHBondContact O-N 2.83Å |
| 302 | V | 80.1 | Confident | 69.8 | Low | 65 Ų | 65 | 105.7 Ų | 105.7 | 39% | 0.394 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -62.2 | -47.2 | 175.3 | -179.5 | 0 | 0 | 0 | 0 | 111 | V297 D298 A299 K304 A305 L306 | V297-V302 HydrophobicContact CG1-CG2 3.85Å; D298-V302 PolarHBondContact O-N 3.29Å; A299-V302 PolarHBondContact O-N 3.44Å; V302-K304 VanDerWaalsContact C-N 3.35Å; V302-K304 PolarHBondContact O-N 3.27Å; V302-A305 PolarHBondContact O-N 3.08Å; V302-L306 HydrophobicContact CG1-CD1 3.81Å; V302-L306 HydrophobicContact CG1-CG 4.39Å; V302-L306 WeakPolarHBondContact O-CB 3.45Å; V302-L306 WeakPolarHBondContact O-CG 3.45Å; V302-L306 PolarHBondContact O-N 3.33Å |
| 303 | R | 76.2 | Confident | 70.2 | Confident | 126 Ų | 126 | 105 Ų | 105 | 48% | 0.475 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -61.8 | -40.3 | 175.8 | -89.6 | -176.1 | -85.3 | 99.4 | 4.2 | 112.5 | A299 D300 L306 F307 | A299-R303 PolarHBondContact O-N 3.43Å; D300-R303 PolarHBondContact O-N 3.23Å; D300-R303 IonicContact OD1-CZ 2.85Å; D300-R303 IonicContact OD1-NH1 2.94Å; D300-R303 PolarHBondContact OD1-NH1 3.46Å; D300-R303 IonicContact OD1-NH2 2.64Å; D300-R303 PolarHBondContact OD1-NH2 2.89Å; R303-L306 PolarHBondContact O-N 2.87Å; R303-F307 HydrophobicContact CB-CD2 4.43Å; R303-F307 HydrophobicContact CG-CD2 4.21Å; R303-F307 HydrophobicContact CG-CE2 4.34Å; R303-F307 WeakPolarHBondContact O-CB 3.43Å; R303-F307 WeakPolarHBondContact O-CD2 3.21Å; R303-F307 PolarHBondContact O-N 2.92Å |
| 304 | K | 81.8 | Confident | 69.9 | Low | 109 Ų | 109 | 104 Ų | 104 | 47% | 0.474 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.2 | -36.2 | 177.8 | -169.5 | 162.9 | -176.6 | 169.3 | 0 | 112.5 | D300 V301 V302 N308 S311 | D300-K304 VanDerWaalsContact O-CB 3.24Å; D300-K304 WeakPolarHBondContact O-CB 3.43Å; D300-K304 PolarHBondContact O-N 3.38Å; V301-K304 PolarHBondContact O-N 3.08Å; V302-K304 VanDerWaalsContact C-N 3.35Å; V302-K304 PolarHBondContact O-N 3.27Å; K304-N308 VanDerWaalsContact O-CA 3.27Å; K304-N308 WeakPolarHBondContact O-CA 3.48Å; K304-N308 PolarHBondContact O-N 3.27Å; K304-N308 VanDerWaalsContact O-N 3.16Å; K304-S311 PolarHBondContact NZ-OG 3.26Å |
| 305 | A | 79.4 | Confident | 69.5 | Low | 85 Ų | 85 | 105.7 Ų | 105.7 | 70% | 0.702 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -75.1 | -38.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | V301 V302 | V301-A305 WeakPolarHBondContact O-CB 3.35Å; V301-A305 PolarHBondContact O-N 2.83Å; V302-A305 PolarHBondContact O-N 3.08Å |
| 306 | L | 85.3 | Confident | 69.1 | Low | 124 Ų | 124 | 108 Ų | 108 | 65% | 0.649 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -75.3 | -45.9 | 179.9 | -76.4 | 173 | 0 | 0 | 0 | 113.1 | V302 R303 | V302-L306 HydrophobicContact CG1-CD1 3.81Å; V302-L306 HydrophobicContact CG1-CG 4.39Å; V302-L306 WeakPolarHBondContact O-CB 3.45Å; V302-L306 WeakPolarHBondContact O-CG 3.45Å; V302-L306 PolarHBondContact O-N 3.33Å; R303-L306 PolarHBondContact O-N 2.87Å |
| 307 | F | 82 | Confident | 68.4 | Low | 142 Ų | 142 | 103.5 Ų | 103.5 | 62% | 0.623 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -108.1 | 0.8 | -168.4 | -58.2 | -71.6 | 0 | 0 | 0 | 113.3 | R303 V309 | R303-F307 HydrophobicContact CB-CD2 4.43Å; R303-F307 HydrophobicContact CG-CD2 4.21Å; R303-F307 HydrophobicContact CG-CE2 4.34Å; R303-F307 WeakPolarHBondContact O-CB 3.43Å; R303-F307 WeakPolarHBondContact O-CD2 3.21Å; R303-F307 PolarHBondContact O-N 2.92Å; F307-V309 HydrophobicContact CB-CG2 3.67Å; F307-V309 PolarHBondContact O-N 2.87Å |
| 308 | N | 69.2 | Low | 67.7 | Low | 138 Ų | 138 | 110.5 Ų | 110.5 | 74% | 0.738 | 63% | 0.632 | S | S | * | * | trans | 52.5 | 30.1 | 179.6 | -151.4 | 101.3 | 0 | 0 | 0 | 113.3 | K304 S310 | K304-N308 VanDerWaalsContact O-CA 3.27Å; K304-N308 WeakPolarHBondContact O-CA 3.48Å; K304-N308 PolarHBondContact O-N 3.27Å; K304-N308 VanDerWaalsContact O-N 3.16Å; N308-S310 PolarHBondContact O-N 3Å | ||
| 309 | V | 70.6 | Confident | 66.6 | Low | 91 Ų | 91 | 115.8 Ų | 115.8 | 55% | 0.552 | 65% | 0.645 | S | S | * | * | trans | -79.5 | 112.5 | -175.9 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | F307 S311 | F307-V309 HydrophobicContact CB-CG2 3.67Å; F307-V309 PolarHBondContact O-N 2.87Å; V309-S311 PolarHBondContact O-N 2.94Å | ||
| 310 | S | 60.3 | Low | 66.2 | Low | 92 Ų | 92 | 119 Ų | 119 | 64% | 0.643 | 66% | 0.662 | S | S | * | * | trans | -67.6 | 115.1 | 170.5 | -66.9 | 0 | 0 | 0 | 0 | 110.1 | N308 S312 | N308-S310 PolarHBondContact O-N 3Å; S310-S312 PolarHBondContact O-N 2.92Å | ||
| 311 | S | 50.8 | Low | 65.9 | Low | 94 Ų | 94 | 120.7 Ų | 120.7 | 66% | 0.657 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -71.2 | 70.9 | 176 | 56.1 | 0 | 0 | 0 | 0 | 111.8 | K304 V309 | K304-S311 PolarHBondContact NZ-OG 3.26Å; V309-S311 PolarHBondContact O-N 2.94Å |
| 312 | S | 52 | Low | 65.6 | Low | 103 Ų | 103 | 124.1 Ų | 124.1 | 72% | 0.72 | 69% | 0.69 | S | S | * | * | trans | -164 | 125.6 | 168.5 | 61.8 | 0 | 0 | 0 | 0 | 111.9 | S310 | S310-S312 PolarHBondContact O-N 2.92Š| ||
| 313 | G | 49.5 | Very low | 65.4 | Low | 70 Ų | 70 | 128.8 Ų | 128.8 | 72% | 0.722 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 107.5 | 107.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 314 | S | 49.8 | Very low | 65.3 | Low | 107 Ų | 107 | 128.3 Ų | 128.3 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | trans | 26.3 | 120.1 | 152.4 | 41.5 | 0 | 0 | 0 | 0 | 119.5 | Q316 | S314-Q316 PolarHBondContact O-N 3.37Š| ||
| 315 | V | 47.9 | Very low | 65.1 | Low | 149 Ų | 149 | 128.7 Ų | 128.7 | 90% | 0.903 | 73% | 0.733 | S | S | * | * | trans | -65 | 80 | 159.4 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | S317 | V315-S317 PolarHBondContact O-N 2.94Š| ||
| 316 | Q | 52.5 | Low | 64.6 | Low | 170 Ų | 170 | 130 Ų | 130 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | trans | -76.6 | 99.9 | 155 | -75.7 | -162.4 | -13.9 | 0 | 0 | 107.4 | S314 R318 | S314-Q316 PolarHBondContact O-N 3.37Å; Q316-R318 PolarHBondContact O-N 3.35Å | ||
| 317 | S | 53.6 | Low | 63.7 | Low | 86 Ų | 86 | 132.1 Ų | 132.1 | 60% | 0.601 | 75% | 0.748 | S | S | * | * | trans | -46 | 104.4 | 168.9 | 174.1 | 0 | 0 | 0 | 0 | 109.4 | V315 R319 | V315-S317 PolarHBondContact O-N 2.94Å; S317-R319 PolarHBondContact O-N 3.13Å | ||
| 318 | R | 57.6 | Low | 63.3 | Low | 246 Ų | 246 | 140.7 Ų | 140.7 | 93% | 0.928 | 78% | 0.776 | S | S | * | * | trans | -72.3 | 79.1 | 165.9 | -71.8 | -166.8 | 178.8 | -147.1 | 0.2 | 107.6 | Q316 | Q316-R318 PolarHBondContact O-N 3.35Š| ||
| 319 | R | 57.1 | Low | 63 | Low | 204 Ų | 204 | 140.8 Ų | 140.8 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | -55.8 | 146.7 | 162.5 | -67.8 | -172.5 | 175.7 | 174.9 | -1.8 | 108.1 | S317 V321 | S317-R319 PolarHBondContact O-N 3.13Å; R319-V321 PolarHBondContact O-N 2.9Å | ||
| 320 | P | 73.9 | Confident | 62.6 | Low | 125 Ų | 125 | 143.4 Ų | 143.4 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | trans | -50.5 | 135.6 | 171 | -24.6 | 34.2 | 0 | 0 | 0 | 109.8 | D322 | P320-D322 PolarHBondContact O-N 3.04Å; P320-D322 VanDerWaalsContact O-N 3.13Å | ||
| 321 | V | 72.9 | Confident | 62.8 | Low | 123 Ų | 123 | 146.3 Ų | 146.3 | 75% | 0.745 | 80% | 0.798 | S | S | * | * | trans | -76.5 | 102.1 | 170.4 | -178 | 0 | 0 | 0 | 0 | 105.9 | R319 F323 | R319-V321 PolarHBondContact O-N 2.9Å; V321-F323 HydrophobicContact CG1-CD1 4.36Å; V321-F323 WeakPolarHBondContact O-CD1 3.3Å; V321-F323 WeakPolarHBondContact O-CE1 3.2Å | ||
| 322 | D | 75.3 | Confident | 63.5 | Low | 157 Ų | 157 | 149.4 Ų | 149.4 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | -79.6 | 133.8 | 173.8 | -150.9 | -11.4 | 0 | 0 | 0 | 108.8 | P320 | P320-D322 PolarHBondContact O-N 3.04Å; P320-D322 VanDerWaalsContact O-N 3.13Å | ||
| 323 | F | 76 | Confident | 64.2 | Low | 164 Ų | 164 | 152.3 Ų | 152.3 | 72% | 0.719 | 81% | 0.811 | S | S | * | * | trans | -131.2 | 102 | -178.3 | 36 | -96.1 | 0 | 0 | 0 | 110.5 | V321 | V321-F323 HydrophobicContact CG1-CD1 4.36Å; V321-F323 WeakPolarHBondContact O-CD1 3.3Å; V321-F323 WeakPolarHBondContact O-CE1 3.2Å | ||
| 324 | S | 74.3 | Confident | 65.2 | Low | 115 Ų | 115 | 157.7 Ų | 157.7 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -74.8 | 123.2 | 170 | 46.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 325 | V | 78.1 | Confident | 66.3 | Low | 118 Ų | 118 | 161.4 Ų | 161.4 | 72% | 0.715 | 82% | 0.822 | S | S | * | * | trans | -105 | 103.2 | 173.1 | -179.5 | 0 | 0 | 0 | 0 | 108.2 | L327 | V325-L327 PolarHBondContact O-N 2.86Š| ||
| 326 | S | 68.2 | Low | 67.7 | Low | 113 Ų | 113 | 162.3 Ų | 162.3 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | trans | -82.8 | 112.4 | 171.7 | -60.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 327 | L | 66.4 | Low | 68.9 | Low | 168 Ų | 168 | 161.7 Ų | 161.7 | 88% | 0.88 | 82% | 0.818 | S | S | * | * | trans | -73.4 | 148.3 | 165.9 | -63.5 | 170.3 | 0 | 0 | 0 | 109.4 | V325 | V325-L327 PolarHBondContact O-N 2.86Š| ||
| 328 | R | 74.2 | Confident | 70.3 | Confident | 321 Ų | 321 | 168.5 Ų | 168.5 | 100% | 1.211 | 84% | 0.838 | S | S | * | * | trans | -133 | 0 | -174.7 | -157.9 | -174.7 | -158.3 | 144.4 | 5.3 | 110.5 |
Retrieved 328 of 328 residues in 52.9 ms
(Link to these results)