| 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 | L | 51.8 | Low | 63.7 | Low | 175 Ų | 175 | 112.6 Ų | 112.6 | 92% | 0.916 | 60% | 0.604 | S | S | * | * | 0 | -68.9 | 0 | -130.9 | 75.9 | 0 | 0 | 0 | 112.2 | I3 T4 M5 | L1-I3 PolarHBondContact O-N 2.93Å; L1-T4 PolarHBondContact N-OG1 2.9Å; L1-T4 WeakPolarHBondContact O-CA 3.32Å; L1-T4 VanDerWaalsContact O-CB 3.23Å; L1-T4 WeakPolarHBondContact O-CB 3.45Å; L1-T4 PolarHBondContact O-N 3.43Å; L1-T4 PolarHBondContact O-OG1 3.03Å; L1-T4 VanDerWaalsContact O-OG1 3.11Å; L1-M5 WeakPolarHBondContact O-CG 3.09Å; L1-M5 PolarHBondContact O-N 3.43Å | |||
| 2 | F | 48 | Very low | 64.4 | Low | 183 Ų | 183 | 111.8 Ų | 111.8 | 80% | 0.803 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -55.3 | -50.3 | -175 | -107 | -93.1 | 0 | 0 | 0 | 114.8 | T4 M5 A6 | F2-T4 PolarHBondContact O-N 2.94Å; F2-M5 PolarHBondContact O-N 2.88Å; F2-A6 PolarHBondContact O-N 3.24Å |
| 3 | I | 61.8 | Low | 65.2 | Low | 130 Ų | 130 | 114 Ų | 114 | 67% | 0.667 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -58.8 | -35.5 | 176.5 | -61.4 | 170.6 | 0 | 0 | 0 | 111.3 | L1 K7 | L1-I3 PolarHBondContact O-N 2.93Å; I3-K7 WeakPolarHBondContact O-CG 3.45Å; I3-K7 PolarHBondContact O-N 2.91Å; I3-K7 VanDerWaalsContact O-N 3.15Å |
| 4 | T | 60.4 | Low | 65.4 | Low | 79 Ų | 79 | 115.4 Ų | 115.4 | 49% | 0.485 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.9 | -46.4 | 178.4 | -20.5 | 0 | 0 | 0 | 0 | 111 | L1 F2 K7 I8 | L1-T4 PolarHBondContact N-OG1 2.9Å; L1-T4 WeakPolarHBondContact O-CA 3.32Å; L1-T4 VanDerWaalsContact O-CB 3.23Å; L1-T4 WeakPolarHBondContact O-CB 3.45Å; L1-T4 PolarHBondContact O-N 3.43Å; L1-T4 PolarHBondContact O-OG1 3.03Å; L1-T4 VanDerWaalsContact O-OG1 3.11Å; F2-T4 PolarHBondContact O-N 2.94Å; T4-K7 PolarHBondContact O-N 2.92Å; T4-I8 WeakPolarHBondContact O-CD1 3.5Å; T4-I8 VanDerWaalsContact O-CG1 3.29Å; T4-I8 WeakPolarHBondContact O-CG1 3.42Å; T4-I8 PolarHBondContact O-N 3.1Å |
| 5 | M | 60.1 | Low | 65.5 | Low | 127 Ų | 127 | 114.9 Ų | 114.9 | 63% | 0.626 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.1 | -41.3 | 177.2 | -62.1 | -64.9 | -88.4 | 0 | 0 | 112.1 | L1 F2 K7 I8 L9 | L1-M5 WeakPolarHBondContact O-CG 3.09Å; L1-M5 PolarHBondContact O-N 3.43Å; F2-M5 PolarHBondContact O-N 2.88Å; M5-K7 PolarHBondContact O-N 2.86Å; M5-I8 PolarHBondContact O-N 3.41Å; M5-L9 WeakPolarHBondContact O-CB 3.31Å; M5-L9 PolarHBondContact O-N 2.87Å |
| 6 | A | 67.2 | Low | 65.4 | Low | 63 Ų | 63 | 111 Ų | 111 | 52% | 0.521 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.6 | -41 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | F2 L9 S10 | F2-A6 PolarHBondContact O-N 3.24Å; A6-L9 PolarHBondContact O-N 2.85Å; A6-S10 WeakPolarHBondContact O-CB 3.35Å; A6-S10 PolarHBondContact O-N 2.96Å |
| 7 | K | 67.1 | Low | 65.3 | Low | 154 Ų | 154 | 109.8 Ų | 109.8 | 67% | 0.67 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.4 | -40.7 | 174.6 | -74.9 | -176.9 | 177.3 | -169.2 | 0 | 112.4 | I3 T4 M5 S10 A11 | I3-K7 WeakPolarHBondContact O-CG 3.45Å; I3-K7 PolarHBondContact O-N 2.91Å; I3-K7 VanDerWaalsContact O-N 3.15Å; T4-K7 PolarHBondContact O-N 2.92Å; M5-K7 PolarHBondContact O-N 2.86Å; K7-S10 PolarHBondContact O-N 2.83Å; K7-A11 WeakPolarHBondContact O-CB 3.28Å; K7-A11 PolarHBondContact O-N 2.73Å |
| 8 | I | 70.4 | Confident | 65 | Low | 91 Ų | 91 | 107.7 Ų | 107.7 | 47% | 0.467 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.8 | -46.1 | 176.7 | -68.5 | 162.3 | 0 | 0 | 0 | 110.6 | T4 M5 S10 A11 L12 | T4-I8 WeakPolarHBondContact O-CD1 3.5Å; T4-I8 VanDerWaalsContact O-CG1 3.29Å; T4-I8 WeakPolarHBondContact O-CG1 3.42Å; T4-I8 PolarHBondContact O-N 3.1Å; M5-I8 PolarHBondContact O-N 3.41Å; I8-S10 PolarHBondContact O-N 3.17Å; I8-A11 PolarHBondContact O-N 3.22Å; I8-L12 HydrophobicContact CG2-CD1 3.92Å; I8-L12 HydrophobicContact CG2-CG 4.46Å; I8-L12 WeakPolarHBondContact O-CG 3.29Å; I8-L12 PolarHBondContact O-N 2.82Å |
| 9 | L | 68.8 | Low | 64.4 | Low | 130 Ų | 130 | 107.1 Ų | 107.1 | 68% | 0.681 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.9 | -40.9 | 179.4 | -161.8 | 74.2 | 0 | 0 | 0 | 111.9 | M5 A6 L12 F13 | M5-L9 WeakPolarHBondContact O-CB 3.31Å; M5-L9 PolarHBondContact O-N 2.87Å; A6-L9 PolarHBondContact O-N 2.85Å; L9-L12 PolarHBondContact O-N 3.03Å; L9-F13 WeakPolarHBondContact O-CB 3.48Å; L9-F13 PolarHBondContact O-N 2.92Å |
| 10 | S | 72.4 | Confident | 63.7 | Low | 57 Ų | 57 | 109.3 Ų | 109.3 | 40% | 0.399 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.8 | -44.4 | 173.9 | 176.5 | 0 | 0 | 0 | 0 | 112.2 | A6 K7 I8 F13 F14 | A6-S10 WeakPolarHBondContact O-CB 3.35Å; A6-S10 PolarHBondContact O-N 2.96Å; K7-S10 PolarHBondContact O-N 2.83Å; I8-S10 PolarHBondContact O-N 3.17Å; S10-F13 WeakPolarHBondContact O-CB 3.33Å; S10-F13 PolarHBondContact O-N 2.88Å; S10-F14 WeakPolarHBondContact O-CD2 3.46Å; S10-F14 PolarHBondContact O-N 3.39Å; S10-F14 WeakPolarHBondContact OG-CE2 3.4Å |
| 11 | A | 72.3 | Confident | 63 | Low | 50 Ų | 50 | 108.4 Ų | 108.4 | 41% | 0.413 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.5 | -41.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K7 I8 F13 F14 L15 | K7-A11 WeakPolarHBondContact O-CB 3.28Å; K7-A11 PolarHBondContact O-N 2.73Å; I8-A11 PolarHBondContact O-N 3.22Å; A11-F13 VanDerWaalsContact C-N 3.32Å; A11-F13 PolarHBondContact O-N 2.84Å; A11-F14 PolarHBondContact O-N 3.22Å; A11-L15 WeakPolarHBondContact O-CB 3.14Å; A11-L15 WeakPolarHBondContact O-CG 3.48Å; A11-L15 PolarHBondContact O-N 3.5Å |
| 12 | L | 72.6 | Confident | 62.7 | Low | 103 Ų | 103 | 107.9 Ų | 107.9 | 54% | 0.539 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.1 | -37.3 | 174.5 | -71.9 | 169.4 | 0 | 0 | 0 | 112.1 | I8 L9 L15 A16 | I8-L12 HydrophobicContact CG2-CD1 3.92Å; I8-L12 HydrophobicContact CG2-CG 4.46Å; I8-L12 WeakPolarHBondContact O-CG 3.29Å; I8-L12 PolarHBondContact O-N 2.82Å; L9-L12 PolarHBondContact O-N 3.03Å; L12-L15 PolarHBondContact O-N 3.14Å; L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 3.48Å |
| 13 | F | 74.3 | Confident | 62.5 | Low | 140 Ų | 140 | 105.3 Ų | 105.3 | 61% | 0.614 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.6 | -44.6 | 175.8 | -168.1 | -109.3 | 0 | 0 | 0 | 112.1 | L9 S10 A11 A16 I17 | L9-F13 WeakPolarHBondContact O-CB 3.48Å; L9-F13 PolarHBondContact O-N 2.92Å; S10-F13 WeakPolarHBondContact O-CB 3.33Å; S10-F13 PolarHBondContact O-N 2.88Å; A11-F13 VanDerWaalsContact C-N 3.32Å; A11-F13 PolarHBondContact O-N 2.84Å; F13-A16 PolarHBondContact O-N 3.43Å; F13-I17 HydrophobicContact CD1-CD1 3.67Å; F13-I17 HydrophobicContact CE1-CD1 3.52Å; F13-I17 HydrophobicContact CG-CD1 4.4Å; F13-I17 HydrophobicContact CZ-CD1 4.11Å; F13-I17 WeakPolarHBondContact O-CG1 3.36Å; F13-I17 PolarHBondContact O-N 2.94Å |
| 14 | F | 67.6 | Low | 61.7 | Low | 133 Ų | 133 | 105.2 Ų | 105.2 | 58% | 0.583 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.2 | -40.7 | 173.7 | -77.5 | -64.2 | 0 | 0 | 0 | 112.6 | S10 A11 I17 S18 | S10-F14 WeakPolarHBondContact O-CD2 3.46Å; S10-F14 PolarHBondContact O-N 3.39Å; S10-F14 WeakPolarHBondContact OG-CE2 3.4Å; A11-F14 PolarHBondContact O-N 3.22Å; F14-I17 PolarHBondContact O-N 2.66Å; F14-S18 PolarHBondContact O-N 3.03Å; F14-S18 PolarHBondContact O-OG 3.22Å |
| 15 | L | 67.1 | Low | 60.9 | Low | 108 Ų | 108 | 110.2 Ų | 110.2 | 57% | 0.565 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61.3 | -45.6 | 174.5 | -77.5 | 164 | 0 | 0 | 0 | 111.6 | A11 L12 I17 S18 S19 | A11-L15 WeakPolarHBondContact O-CB 3.14Å; A11-L15 WeakPolarHBondContact O-CG 3.48Å; A11-L15 PolarHBondContact O-N 3.5Å; L12-L15 PolarHBondContact O-N 3.14Å; L15-I17 PolarHBondContact O-N 3.37Å; L15-S18 WeakPolarHBondContact CA-OG 3.31Å; L15-S18 PolarHBondContact O-N 2.75Å; L15-S18 PolarHBondContact O-OG 3.11Å; L15-S19 PolarHBondContact O-N 2.63Å |
| 16 | A | 64.8 | Low | 60.4 | Low | 53 Ų | 53 | 111 Ų | 111 | 44% | 0.438 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -59.7 | -44.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L12 F13 S18 S19 L20 | L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 3.48Å; F13-A16 PolarHBondContact O-N 3.43Å; A16-S18 PolarHBondContact O-N 3.25Å; A16-S19 PolarHBondContact O-N 2.83Å; A16-S19 PolarHBondContact O-OG 2.86Å; A16-L20 PolarHBondContact O-N 3.2Å |
| 17 | I | 63.8 | Low | 59.8 | Low | 91 Ų | 91 | 113.4 Ų | 113.4 | 47% | 0.467 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -60.7 | -45.4 | 175.8 | -67 | 163.3 | 0 | 0 | 0 | 111.1 | F13 F14 L15 S19 L20 | F13-I17 HydrophobicContact CD1-CD1 3.67Å; F13-I17 HydrophobicContact CE1-CD1 3.52Å; F13-I17 HydrophobicContact CG-CD1 4.4Å; F13-I17 HydrophobicContact CZ-CD1 4.11Å; F13-I17 WeakPolarHBondContact O-CG1 3.36Å; F13-I17 PolarHBondContact O-N 2.94Å; F14-I17 PolarHBondContact O-N 2.66Å; L15-I17 PolarHBondContact O-N 3.37Å; I17-S19 VanDerWaalsContact C-N 3.29Å; I17-S19 PolarHBondContact O-N 2.71Å; I17-L20 PolarHBondContact O-N 2.95Å |
| 18 | S | 59.2 | Low | 59.3 | Low | 72 Ų | 72 | 115.2 Ų | 115.2 | 50% | 0.503 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -64.7 | -31.4 | 178 | 63.2 | 0 | 0 | 0 | 0 | 113.4 | F14 L15 A16 L20 S21 | F14-S18 PolarHBondContact O-N 3.03Å; F14-S18 PolarHBondContact O-OG 3.22Å; L15-S18 WeakPolarHBondContact CA-OG 3.31Å; L15-S18 PolarHBondContact O-N 2.75Å; L15-S18 PolarHBondContact O-OG 3.11Å; A16-S18 PolarHBondContact O-N 3.25Å; S18-L20 VanDerWaalsContact C-N 3.27Å; S18-L20 PolarHBondContact O-N 2.84Å; S18-S21 PolarHBondContact O-N 3.41Å |
| 19 | S | 53.4 | Low | 59.2 | Low | 95 Ų | 95 | 119.5 Ų | 119.5 | 66% | 0.664 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -73.3 | -15.9 | 176.4 | 71.5 | 0 | 0 | 0 | 0 | 114.2 | L15 A16 I17 S21 | L15-S19 PolarHBondContact O-N 2.63Å; A16-S19 PolarHBondContact O-N 2.83Å; A16-S19 PolarHBondContact O-OG 2.86Å; I17-S19 VanDerWaalsContact C-N 3.29Å; I17-S19 PolarHBondContact O-N 2.71Å; S19-S21 VanDerWaalsContact C-N 3.33Å |
| 20 | L | 50.7 | Low | 59.9 | Low | 151 Ų | 151 | 117 Ų | 117 | 79% | 0.791 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 0.3 | 178.5 | -147.2 | 73.3 | 0 | 0 | 0 | 113.1 | A16 I17 S18 Q22 | A16-L20 PolarHBondContact O-N 3.2Å; I17-L20 PolarHBondContact O-N 2.95Å; S18-L20 VanDerWaalsContact C-N 3.27Å; S18-L20 PolarHBondContact O-N 2.84Å; L20-Q22 PolarHBondContact O-N 2.97Å |
| 21 | S | 49.8 | Very low | 60.6 | Low | 91 Ų | 91 | 117.6 Ų | 117.6 | 64% | 0.636 | 64% | 0.637 | S | S | * | * | trans | -79.1 | 61.3 | 171.6 | -61.8 | 0 | 0 | 0 | 0 | 111.5 | S18 S19 T23 | S18-S21 PolarHBondContact O-N 3.41Å; S19-S21 VanDerWaalsContact C-N 3.33Å; S21-T23 PolarHBondContact O-N 3.4Å | ||
| 22 | Q | 43.9 | Very low | 61.3 | Low | 165 Ų | 165 | 120.6 Ų | 120.6 | 77% | 0.771 | 65% | 0.645 | S | S | * | * | trans | -69 | 104.3 | 165.2 | -149.8 | 173 | 41.2 | 0 | 0 | 107.1 | L20 N24 | L20-Q22 PolarHBondContact O-N 2.97Å; Q22-N24 PolarHBondContact O-N 3.31Å | ||
| 23 | T | 45.7 | Very low | 62.1 | Low | 129 Ų | 129 | 119 Ų | 119 | 79% | 0.791 | 64% | 0.635 | S | S | * | * | trans | -68.7 | 85.3 | 170.3 | 50.2 | 0 | 0 | 0 | 0 | 108.1 | S21 E25 | S21-T23 PolarHBondContact O-N 3.4Å; T23-E25 PolarHBondContact O-N 3.13Å | ||
| 24 | N | 44 | Very low | 62.8 | Low | 128 Ų | 128 | 116.8 Ų | 116.8 | 68% | 0.684 | 63% | 0.633 | S | S | * | * | trans | -58.9 | 106.7 | 159.8 | -79.7 | -19.6 | 0 | 0 | 0 | 106.5 | Q22 I26 | Q22-N24 PolarHBondContact O-N 3.31Å; N24-I26 VanDerWaalsContact C-N 3.34Å; N24-I26 PolarHBondContact O-N 3.12Å | ||
| 25 | E | 43.9 | Very low | 63.9 | Low | 183 Ų | 183 | 111.5 Ų | 111.5 | 86% | 0.855 | 61% | 0.612 | S | S | * | * | trans | -57.8 | 105.6 | 162 | -71.9 | -170.6 | 155.5 | 0 | 0 | 106.4 | T23 P27 | T23-E25 PolarHBondContact O-N 3.13Å; E25-P27 WeakPolarHBondContact O-CD 3.09Å; E25-P27 VanDerWaalsContact O-N 3.15Å | ||
| 26 | I | 48.6 | Very low | 65 | Low | 145 Ų | 145 | 111.7 Ų | 111.7 | 74% | 0.744 | 61% | 0.609 | S | S | * | * | trans | -58.6 | 120.5 | 177.2 | -61.7 | 172.5 | 0 | 0 | 0 | 105.7 | N24 H28 | N24-I26 VanDerWaalsContact C-N 3.34Å; N24-I26 PolarHBondContact O-N 3.12Å; I26-H28 PolarHBondContact O-N 3.14Å | ||
| 27 | P | 55.4 | Low | 66.3 | Low | 112 Ų | 112 | 112.3 Ų | 112.3 | 73% | 0.727 | 61% | 0.608 | S | S | * | * | trans | -55.1 | 121.3 | -178.7 | -26.2 | 34.6 | 0 | 0 | 0 | 109.3 | E25 Q29 | E25-P27 WeakPolarHBondContact O-CD 3.09Å; E25-P27 VanDerWaalsContact O-N 3.15Å; P27-Q29 PolarHBondContact O-N 2.94Å | ||
| 28 | H | 57.1 | Low | 67.6 | Low | 193 Ų | 193 | 109.8 Ų | 109.8 | 89% | 0.894 | 60% | 0.604 | S | S | * | * | trans | -57.9 | 106.5 | 179.5 | -83.4 | -76.1 | 0 | 0 | 0 | 109.1 | I26 I30 | I26-H28 PolarHBondContact O-N 3.14Å; H28-I30 PolarHBondContact O-N 3.26Å | ||
| 29 | Q | 67.6 | Low | 69.2 | Low | 180 Ų | 180 | 107.4 Ų | 107.4 | 84% | 0.841 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -64 | 125.5 | 179.8 | -173.6 | 172.4 | -8.6 | 0 | 0 | 108.6 | P27 P31 | P27-Q29 PolarHBondContact O-N 2.94Å; Q29-P31 VanDerWaalsContact O-CD 3.27Å; Q29-P31 WeakPolarHBondContact O-CD 3.31Å |
| 30 | I | 83.6 | Confident | 71.2 | Confident | 77 Ų | 77 | 108 Ų | 108 | 40% | 0.395 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -63 | 119.5 | 177.9 | -60.8 | 178.8 | 0 | 0 | 0 | 107.6 | H28 T111 F113 | H28-I30 PolarHBondContact O-N 3.26Å; I30-T111 HydrophobicContact CD1-CG2 3.95Å; I30-T111 HydrophobicContact CG2-CG2 4.06Å; I30-F113 HydrophobicContact CD1-CE1 3.77Å; I30-F113 HydrophobicContact CD1-CZ 3.94Å |
| 31 | P | 86.7 | Confident | 73.3 | Confident | 71 Ų | 71 | 101.1 Ų | 101.1 | 46% | 0.461 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -66.9 | 157.1 | 178.1 | -17.7 | 32.6 | 0 | 0 | 0 | 111.4 | Q29 G127 M128 Y129 | Q29-P31 VanDerWaalsContact O-CD 3.27Å; Q29-P31 WeakPolarHBondContact O-CD 3.31Å; P31-G127 VanDerWaalsContact CD-O 3.28Å; P31-G127 WeakPolarHBondContact CD-O 3.49Å; P31-M128 VanDerWaalsContact C-SD 3.57Å; P31-M128 HydrophobicContact CB-CE 4.04Å; P31-M128 HydrophobicContact CB-SD 3.78Å; P31-Y129 PolarHBondContact O-N 2.87Å |
| 32 | L | 87.9 | Confident | 75.5 | Confident | 112 Ų | 112 | 100.4 Ų | 100.4 | 59% | 0.586 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 130.5 | 174.3 | 162.5 | 67.6 | 0 | 0 | 0 | 108.4 | V34 Y129 A131 | L32-V34 HydrophobicContact CD1-CG2 4.02Å; L32-V34 HydrophobicContact CD2-CG2 4.33Å; L32-V34 HydrophobicContact CG-CG2 4.1Å; L32-Y129 WeakPolarHBondContact CA-O 3.49Å; L32-Y129 HydrophobicContact CD1-CD1 3.61Å; L32-Y129 HydrophobicContact CD1-CE1 4.04Å; L32-A131 HydrophobicContact CD1-CB 3.7Å |
| 33 | E | 88.3 | Confident | 77.9 | Confident | 70 Ų | 70 | 92.7 Ų | 92.7 | 33% | 0.327 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 131.4 | 169.3 | -166.8 | 168.3 | 168.7 | 0 | 0 | 109.1 | V35 I41 M128 Y129 A131 | E33-V35 HydrophobicContact CG-CG2 4.45Å; E33-I41 HydrophobicContact CB-CD1 4.29Å; E33-I41 HydrophobicContact CG-CD1 3.86Å; E33-I41 WeakPolarHBondContact OE1-CD1 3.43Å; E33-I41 WeakPolarHBondContact OE1-CG1 3.26Å; E33-M128 HydrophobicContact CB-CE 4.26Å; E33-M128 HydrophobicContact CB-CG 4.17Å; E33-M128 HydrophobicContact CB-SD 3.71Å; E33-Y129 PolarHBondContact N-O 2.86Å; E33-A131 PolarHBondContact O-N 2.62Å |
| 34 | V | 89.2 | Confident | 80.1 | Confident | 93 Ų | 93 | 91.3 Ų | 91.3 | 56% | 0.564 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112 | 125.6 | -175.9 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | L32 A131 N133 | L32-V34 HydrophobicContact CD1-CG2 4.02Å; L32-V34 HydrophobicContact CD2-CG2 4.33Å; L32-V34 HydrophobicContact CG-CG2 4.1Å; V34-A131 WeakPolarHBondContact CA-O 3.33Å; V34-A131 HydrophobicContact CG2-CB 4.3Å; V34-N133 HydrophobicContact CG1-CB 4.3Å |
| 35 | V | 91.2 | Very high | 82.3 | Confident | 23 Ų | 23 | 85.2 Ų | 85.2 | 14% | 0.139 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 145.8 | 179.4 | -168.1 | 0 | 0 | 0 | 0 | 110.7 | E33 I41 I104 L130 A131 V132 N133 | E33-V35 HydrophobicContact CG-CG2 4.45Å; V35-I41 HydrophobicContact CG2-CB 4.27Å; V35-I41 HydrophobicContact CG2-CD1 3.91Å; V35-I41 HydrophobicContact CG2-CG1 4.36Å; V35-I104 HydrophobicContact CB-CD1 3.96Å; V35-I104 HydrophobicContact CG1-CD1 3.62Å; V35-I104 HydrophobicContact CG2-CD1 4.37Å; V35-L130 HydrophobicContact CB-CD1 4.21Å; V35-L130 HydrophobicContact CG2-CD1 3.8Å; V35-A131 PolarHBondContact N-O 2.81Å; V35-V132 CarbonylContact O-C 3.53Å; V35-V132 WeakPolarHBondContact O-CA 3.05Å; V35-N133 PolarHBondContact O-N 3.47Å |
| 36 | E | 90.7 | Very high | 84.3 | Confident | 111 Ų | 111 | 79.5 Ų | 79.5 | 52% | 0.519 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 151.3 | 178.1 | -57.1 | -171.9 | 155.8 | 0 | 0 | 111.9 | G38 G39 N133 H135 | E36-G38 PolarHBondContact O-N 2.8Å; E36-G39 WeakPolarHBondContact O-CA 3.29Å; E36-G39 PolarHBondContact O-N 2.97Å; E36-N133 WeakPolarHBondContact CA-O 3.06Å; E36-H135 IonicContact OE1-CD2 2.68Å; E36-H135 IonicContact OE1-CE1 3.81Å; E36-H135 IonicContact OE1-NE2 2.73Å; E36-H135 PolarHBondContact OE1-NE2 2.96Å |
| 37 | V | 91.2 | Very high | 85.9 | Confident | 67 Ų | 67 | 72.6 Ų | 72.6 | 41% | 0.406 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 134.7 | 172.8 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | G39 I104 V132 N133 D134 | V37-G39 PolarHBondContact O-N 3.03Å; V37-I104 WeakPolarHBondContact CA-O 3.35Å; V37-V132 HydrophobicContact CG2-CG1 3.69Å; V37-N133 PolarHBondContact N-O 2.87Å; V37-D134 HydrophobicContact CG2-CB 3.76Å |
| 38 | G | 91.4 | Very high | 86.7 | Confident | 38 Ų | 38 | 68.7 Ų | 68.7 | 39% | 0.392 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | -11 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | E36 I104 | E36-G38 PolarHBondContact O-N 2.8Å; G38-I104 PolarHBondContact N-O 2.9Å |
| 39 | G | 93.3 | Very high | 87.3 | Confident | 22 Ų | 22 | 64.6 Ų | 64.6 | 23% | 0.227 | 36% | 0.356 | C | S | . | . | trans | -66.9 | 174.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | E36 V37 N103 I104 | E36-G39 WeakPolarHBondContact O-CA 3.29Å; E36-G39 PolarHBondContact O-N 2.97Å; V37-G39 PolarHBondContact O-N 3.03Å; G39-N103 PolarHBondContact O-N 2.75Å; G39-N103 VanDerWaalsContact O-N 3.1Å; G39-I104 WeakPolarHBondContact O-CG1 3.04Å; G39-I104 PolarHBondContact O-N 2.89Å | ||
| 40 | N | 95.8 | Very high | 87.3 | Confident | 108 Ų | 108 | 62.1 Ų | 62.1 | 58% | 0.578 | 35% | 0.354 | S | S | * | . | trans | -128.6 | 141.6 | 176.7 | -54.9 | -41.1 | 0 | 0 | 0 | 109.4 | I101 K102 N103 | N40-I101 CarbonylContact C-O 3.55Å; N40-I101 WeakPolarHBondContact CA-O 3.47Å; N40-K102 WeakPolarHBondContact OD1-CA 3.38Å; N40-K102 WeakPolarHBondContact OD1-CB 3.25Å; N40-N103 PolarHBondContact OD1-N 2.98Å | ||
| 41 | I | 95 | Very high | 86.4 | Confident | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.031 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 151.3 | 178.8 | -170 | 172.1 | 0 | 0 | 0 | 110.5 | E33 V35 L43 T100 I101 I104 L130 | E33-I41 HydrophobicContact CB-CD1 4.29Å; E33-I41 HydrophobicContact CG-CD1 3.86Å; E33-I41 WeakPolarHBondContact OE1-CD1 3.43Å; E33-I41 WeakPolarHBondContact OE1-CG1 3.26Å; V35-I41 HydrophobicContact CG2-CB 4.27Å; V35-I41 HydrophobicContact CG2-CD1 3.91Å; V35-I41 HydrophobicContact CG2-CG1 4.36Å; I41-L43 HydrophobicContact CD1-CD2 3.59Å; I41-L43 HydrophobicContact CD1-CG 4.38Å; I41-L43 HydrophobicContact CG1-CD2 4.14Å; I41-T100 CarbonylContact O-C 3.57Å; I41-T100 VanDerWaalsContact O-CA 3.29Å; I41-T100 WeakPolarHBondContact O-CA 3.47Å; I41-I101 HydrophobicContact CG2-CB 3.87Å; I41-I101 HydrophobicContact CG2-CD1 4.29Å; I41-I101 HydrophobicContact CG2-CG1 4.2Å; I41-I101 PolarHBondContact N-O 2.89Å; I41-I101 PolarHBondContact O-N 3.31Å; I41-I104 HydrophobicContact CB-CD1 3.87Å; I41-I104 HydrophobicContact CG2-CD1 3.62Å; I41-I104 HydrophobicContact CG2-CG1 4.41Å; I41-L130 HydrophobicContact CD1-CD1 3.71Å; I41-L130 HydrophobicContact CG2-CD2 4.23Å |
| 42 | T | 95.3 | Very high | 85.5 | Confident | 75 Ų | 75 | 59.2 Ų | 59.2 | 46% | 0.46 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 104.2 | 166.8 | -62.8 | 0 | 0 | 0 | 0 | 110.5 | H44 L99 T100 | T42-H44 PolarHBondContact O-N 2.81Å; T42-L99 CarbonylContact C-O 3.56Å; T42-L99 WeakPolarHBondContact CA-O 3.48Å; T42-T100 WeakPolarHBondContact CG2-OG1 3.37Å; T42-T100 PolarHBondContact OG1-OG1 3.17Å |
| 43 | L | 94.1 | Very high | 85.1 | Confident | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.016 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 109.8 | 176.7 | -58.4 | 172.9 | 0 | 0 | 0 | 108.7 | I41 W57 S98 L99 I101 Y112 M128 | I41-L43 HydrophobicContact CD1-CD2 3.59Å; I41-L43 HydrophobicContact CD1-CG 4.38Å; I41-L43 HydrophobicContact CG1-CD2 4.14Å; L43-W57 HydrophobicContact CB-CH2 3.57Å; L43-W57 HydrophobicContact CB-CZ2 4.27Å; L43-W57 HydrophobicContact CB-CZ3 3.97Å; L43-W57 HydrophobicContact CD1-CZ3 4.3Å; L43-W57 VanDerWaalsContact O-CZ2 3.29Å; L43-W57 WeakPolarHBondContact O-CZ2 3.4Å; L43-S98 CarbonylContact O-C 3.58Å; L43-S98 VanDerWaalsContact O-CA 3.25Å; L43-S98 WeakPolarHBondContact O-CA 3.36Å; L43-S98 WeakPolarHBondContact O-CB 3.49Å; L43-L99 HydrophobicContact CB-CB 4.47Å; L43-L99 HydrophobicContact CD1-CD2 4.33Å; L43-L99 PolarHBondContact N-O 2.82Å; L43-L99 PolarHBondContact O-N 2.86Å; L43-I101 HydrophobicContact CD1-CD1 4.08Å; L43-Y112 HydrophobicContact CD1-CD1 3.83Å; L43-Y112 HydrophobicContact CD1-CD2 3.91Å; L43-Y112 HydrophobicContact CD1-CE1 4.47Å; L43-Y112 HydrophobicContact CD1-CG 3.51Å; L43-M128 HydrophobicContact CD2-CB 4.05Å; L43-M128 HydrophobicContact CD2-CG 3.76Å |
| 44 | H | 91.8 | Very high | 85 | Confident | 101 Ų | 101 | 59.8 Ų | 59.8 | 47% | 0.468 | 33% | 0.329 | S | S | . | . | trans | -76.4 | 143.2 | -178.3 | -173.5 | 75.2 | 0 | 0 | 0 | 111.7 | T42 Q96 S98 | T42-H44 PolarHBondContact O-N 2.81Å; H44-Q96 PolarHBondContact CE1-OE1 2.82Å; H44-Q96 VanDerWaalsContact CE1-OE1 3.25Å; H44-S98 PolarHBondContact ND1-OG 2.77Å | ||
| 45 | C | 89.8 | Confident | 85 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | -134.6 | 115.9 | 171.6 | -179.8 | 0 | 0 | 0 | 0 | 111.8 | L47 W57 Q96 C97 C114 | C45-L47 PolarHBondContact O-N 2.95Å; C45-L47 VanDerWaalsContact SG-CD1 3.55Å; C45-W57 HydrophobicContact CB-CH2 4.14Å; C45-W57 HydrophobicContact CB-CZ2 3.52Å; C45-Q96 WeakPolarHBondContact O-CA 3.43Å; C45-C97 WeakPolarHBondContact CB-O 3.35Å; C45-C97 PolarHBondContact O-N 3.49Å; C45-C97 VanDerWaalsContact O-N 3.11Å; C45-C114 HydrophobicContact CB-CB 3.54Å; C45-C114 WeakPolarHBondContact CB-SG 3.47Å; C45-C114 WeakPolarHBondContact SG-CB 3.4Å; C45-C114 CovalentContact SG-SG 2.02Å; C45-C114 PolarHBondContact SG-SG 3.49Å | ||
| 46 | P | 86.6 | Confident | 85.1 | Confident | 62 Ų | 62 | 57.3 Ų | 57.3 | 40% | 0.403 | 31% | 0.308 | S | S | . | . | trans | -82.7 | 78.2 | -178.9 | 34.6 | -34.2 | 0 | 0 | 0 | 110.6 | ||||
| 47 | L | 82.1 | Confident | 85.3 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -118.9 | 116 | 171.8 | -77.8 | 172.2 | 0 | 0 | 0 | 109 | C45 R52 F55 S95 Q96 A125 | C45-L47 PolarHBondContact O-N 2.95Å; C45-L47 VanDerWaalsContact SG-CD1 3.55Å; L47-R52 HydrophobicContact CB-CB 4.49Å; L47-R52 HydrophobicContact CB-CG 4.4Å; L47-R52 HydrophobicContact CD1-CG 4.43Å; L47-R52 PolarHBondContact O-NE 3.4Å; L47-R52 PolarHBondContact O-NH2 3.22Å; L47-F55 HydrophobicContact CD1-CB 3.96Å; L47-S95 CarbonylContact C-O 3.25Å; L47-S95 CarbonylContact O-C 3.51Å; L47-S95 VanDerWaalsContact O-C 3.25Å; L47-S95 VanDerWaalsContact O-O 3.1Å; L47-Q96 PolarHBondContact O-N 3.34Å; L47-A125 HydrophobicContact CD1-CB 4.39Å; L47-A125 HydrophobicContact CD2-CB 3.65Å; L47-A125 HydrophobicContact CG-CB 3.76Å | ||
| 48 | S | 73.1 | Confident | 85.5 | Confident | 30 Ų | 30 | 50.7 Ų | 50.7 | 21% | 0.21 | 27% | 0.271 | C | S | . | . | trans | -70.1 | 151.1 | 173.4 | 66.9 | 0 | 0 | 0 | 0 | 111.9 | T50 E51 R52 | S48-T50 WeakPolarHBondContact CB-OG1 3.47Å; S48-T50 PolarHBondContact O-N 3.04Å; S48-T50 VanDerWaalsContact O-N 3.16Å; S48-T50 PolarHBondContact OG-OG1 3.12Å; S48-E51 WeakPolarHBondContact CB-OE2 3.48Å; S48-E51 PolarHBondContact N-OE2 3.12Å; S48-E51 VanDerWaalsContact N-OE2 3.14Å; S48-E51 PolarHBondContact O-N 3.27Å; S48-E51 VanDerWaalsContact OG-CG 3.27Å; S48-E51 WeakPolarHBondContact OG-CG 3.41Å; S48-E51 PolarHBondContact OG-N 2.81Å; S48-E51 PolarHBondContact OG-OE2 2.93Å; S48-R52 WeakPolarHBondContact O-CB 3.33Å; S48-R52 PolarHBondContact O-N 2.83Å | ||
| 49 | K | 69 | Low | 85.8 | Confident | 107 Ų | 107 | 49.6 Ų | 49.6 | 47% | 0.465 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -33.3 | 171.8 | -89.5 | -176.9 | 178.8 | 173.7 | 0 | 112.8 | R52 D94 | K49-R52 PolarHBondContact O-N 3.45Å; K49-D94 HydrophobicContact CD-CB 4.43Å; K49-D94 VanDerWaalsContact CD-OD1 3.31Å; K49-D94 WeakPolarHBondContact CD-OD1 3.37Å; K49-D94 WeakPolarHBondContact CE-OD1 3.36Å; K49-D94 PolarHBondContact N-O 3.01Å; K49-D94 IonicContact NZ-OD1 2.87Å; K49-D94 PolarHBondContact NZ-OD1 2.98Å |
| 50 | T | 66.9 | Low | 85.8 | Confident | 129 Ų | 129 | 52.5 Ų | 52.5 | 79% | 0.791 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -33.8 | 177.1 | 33.2 | 0 | 0 | 0 | 0 | 113.7 | S48 | S48-T50 WeakPolarHBondContact CB-OG1 3.47Å; S48-T50 PolarHBondContact O-N 3.04Å; S48-T50 VanDerWaalsContact O-N 3.16Å; S48-T50 PolarHBondContact OG-OG1 3.12Å |
| 51 | E | 66.1 | Low | 85.4 | Confident | 75 Ų | 75 | 48.3 Ų | 48.3 | 35% | 0.35 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -27.2 | 175.5 | -66.5 | 165 | 106 | 0 | 0 | 112.5 | S48 K53 G117 R123 | S48-E51 WeakPolarHBondContact CB-OE2 3.48Å; S48-E51 PolarHBondContact N-OE2 3.12Å; S48-E51 VanDerWaalsContact N-OE2 3.14Å; S48-E51 PolarHBondContact O-N 3.27Å; S48-E51 VanDerWaalsContact OG-CG 3.27Å; S48-E51 WeakPolarHBondContact OG-CG 3.41Å; S48-E51 PolarHBondContact OG-N 2.81Å; S48-E51 PolarHBondContact OG-OE2 2.93Å; E51-K53 PolarHBondContact O-N 3.02Å; E51-K53 VanDerWaalsContact O-N 3.13Å; E51-G117 CarbonylContact O-C 3.56Å; E51-G117 VanDerWaalsContact O-C 3.23Å; E51-G117 WeakPolarHBondContact O-CA 3.38Å; E51-R123 IonicContact OE1-CZ 2.62Å; E51-R123 IonicContact OE1-NE 3.79Å; E51-R123 IonicContact OE1-NH2 2.63Å; E51-R123 PolarHBondContact OE1-NH2 3.45Å; E51-R123 IonicContact OE2-NH2 2.66Å |
| 52 | R | 66.8 | Low | 84.7 | Confident | 11 Ų | 11 | 53.5 Ų | 53.5 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | trans | -90.4 | 62.1 | -163.8 | -161.6 | -158.6 | -50.4 | 153.2 | 6.2 | 113.8 | L47 S48 K49 F54 F55 L74 G93 Q96 C97 | L47-R52 HydrophobicContact CB-CB 4.49Å; L47-R52 HydrophobicContact CB-CG 4.4Å; L47-R52 HydrophobicContact CD1-CG 4.43Å; L47-R52 PolarHBondContact O-NE 3.4Å; L47-R52 PolarHBondContact O-NH2 3.22Å; S48-R52 WeakPolarHBondContact O-CB 3.33Å; S48-R52 PolarHBondContact O-N 2.83Å; K49-R52 PolarHBondContact O-N 3.45Å; R52-F54 VanDerWaalsContact C-N 3.33Å; R52-F55 HydrophobicContact CG-CB 3.8Å; R52-F55 HydrophobicContact CG-CD1 3.77Å; R52-F55 HydrophobicContact CG-CG 4.1Å; R52-L74 WeakPolarHBondContact O-CD2 3.25Å; R52-G93 PolarHBondContact NH1-O 3.13Å; R52-G93 PolarHBondContact NH2-O 3.19Å; R52-Q96 VanDerWaalsContact NH2-C 3.29Å; R52-Q96 PolarHBondContact NH2-O 2.72Å; R52-C97 VanDerWaalsContact CD-SG 3.54Å; R52-C97 VanDerWaalsContact CZ-SG 3.53Å; R52-C97 PolarHBondContact NH1-SG 2.93Å | ||
| 53 | K | 79.4 | Confident | 83.7 | Confident | 116 Ų | 116 | 54.2 Ų | 54.2 | 50% | 0.504 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -66.6 | -39.2 | 168.1 | -71.2 | -167.3 | 176.5 | -174.9 | 0 | 111.8 | E51 S73 L74 G117 T118 | E51-K53 PolarHBondContact O-N 3.02Å; E51-K53 VanDerWaalsContact O-N 3.13Å; K53-S73 VanDerWaalsContact O-CA 3.32Å; K53-S73 WeakPolarHBondContact O-CA 3.45Å; K53-L74 HydrophobicContact CG-CD1 4.23Å; K53-G117 PolarHBondContact N-O 2.88Å; K53-T118 HydrophobicContact CD-CG2 4.2Å; K53-T118 HydrophobicContact CG-CG2 4.47Å |
| 54 | F | 86.3 | Confident | 83 | Confident | 78 Ų | 78 | 60 Ų | 60 | 34% | 0.342 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 147 | 170.5 | -56.1 | -80.9 | 0 | 0 | 0 | 109.3 | R52 Y56 G72 G116 G117 A119 | R52-F54 VanDerWaalsContact C-N 3.33Å; F54-Y56 HydrophobicContact CB-CE2 4Å; F54-G72 CarbonylContact C-O 3.58Å; F54-G72 WeakPolarHBondContact CA-O 3.27Å; F54-G116 VanDerWaalsContact O-CA 3.27Å; F54-G116 WeakPolarHBondContact O-CA 3.28Å; F54-G117 PolarHBondContact N-O 2.04Å; F54-G117 PolarHBondContact O-N 2.83Å; F54-A119 HydrophobicContact CE2-CB 4.06Å |
| 55 | F | 89.5 | Confident | 82.6 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 0% | 0.004 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 156.7 | 169.3 | 75.4 | -83.9 | 0 | 0 | 0 | 111.6 | L47 R52 G72 Q77 L90 C97 Q115 | L47-F55 HydrophobicContact CD1-CB 3.96Å; R52-F55 HydrophobicContact CG-CB 3.8Å; R52-F55 HydrophobicContact CG-CD1 3.77Å; R52-F55 HydrophobicContact CG-CG 4.1Å; F55-G72 WeakPolarHBondContact CD1-O 2.97Å; F55-G72 VanDerWaalsContact CE1-CA 3.43Å; F55-G72 PolarHBondContact N-O 2.97Å; F55-G72 PolarHBondContact O-N 2.86Å; F55-Q77 HydrophobicContact CE1-CG 4.03Å; F55-Q77 HydrophobicContact CZ-CB 4.48Å; F55-Q77 HydrophobicContact CZ-CG 3.85Å; F55-L90 HydrophobicContact CE2-CD2 4.47Å; F55-C97 HydrophobicContact CD2-CB 4.2Å; F55-C97 VanDerWaalsContact CE1-SG 3.53Å; F55-C97 HydrophobicContact CE2-CB 4.26Å; F55-C97 VanDerWaalsContact CE2-SG 3.57Å; F55-C97 HydrophobicContact CG-CB 4.5Å; F55-C97 WeakPolarHBondContact CZ-SG 3.42Å; F55-Q115 CarbonylContact C-O 3.57Å; F55-Q115 WeakPolarHBondContact CA-O 3.18Å; F55-Q115 WeakPolarHBondContact CB-O 3.37Å |
| 56 | Y | 92.4 | Very high | 82.7 | Confident | 64 Ų | 64 | 67.3 Ų | 67.3 | 25% | 0.251 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 138.4 | -176.5 | -56.8 | -89.2 | 0 | 0 | 0 | 109.5 | F54 Y58 A70 T71 C114 Q115 | F54-Y56 HydrophobicContact CB-CE2 4Å; Y56-Y58 VanDerWaalsContact CB-CE2 3.43Å; Y56-Y58 HydrophobicContact CG-CE2 4.22Å; Y56-A70 WeakPolarHBondContact CA-O 3.32Å; Y56-T71 HydrophobicContact CD1-CG2 3.78Å; Y56-T71 HydrophobicContact CE1-CG2 3.89Å; Y56-C114 WeakPolarHBondContact O-CA 3.27Å; Y56-Q115 PolarHBondContact N-O 3.16Å; Y56-Q115 PolarHBondContact O-N 2.83Å |
| 57 | W | 95.5 | Very high | 83.2 | Confident | 3 Ų | 3 | 66.9 Ų | 66.9 | 1% | 0.011 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 129.9 | 161.6 | -83.5 | 98.2 | 0 | 0 | 0 | 109.2 | L43 C45 V69 A70 C97 L99 F113 C114 | L43-W57 HydrophobicContact CB-CH2 3.57Å; L43-W57 HydrophobicContact CB-CZ2 4.27Å; L43-W57 HydrophobicContact CB-CZ3 3.97Å; L43-W57 HydrophobicContact CD1-CZ3 4.3Å; L43-W57 VanDerWaalsContact O-CZ2 3.29Å; L43-W57 WeakPolarHBondContact O-CZ2 3.4Å; C45-W57 HydrophobicContact CB-CH2 4.14Å; C45-W57 HydrophobicContact CB-CZ2 3.52Å; W57-V69 HydrophobicContact CB-CB 4.19Å; W57-V69 WeakPolarHBondContact O-CB 3.4Å; W57-V69 PolarHBondContact O-N 3.14Å; W57-A70 HydrophobicContact CB-CB 4.15Å; W57-A70 PolarHBondContact N-O 2.94Å; W57-A70 PolarHBondContact O-N 2.84Å; W57-C97 PolarHBondContact NE1-O 2.89Å; W57-L99 HydrophobicContact CB-CD2 4.23Å; W57-L99 HydrophobicContact CD2-CB 3.76Å; W57-L99 HydrophobicContact CD2-CD2 4.09Å; W57-L99 HydrophobicContact CE3-CB 4.32Å; W57-L99 HydrophobicContact CE3-CD2 4.19Å; W57-L99 HydrophobicContact CG-CB 4.03Å; W57-L99 HydrophobicContact CG-CD2 4.14Å; W57-L99 HydrophobicContact CH2-CB 4.48Å; W57-L99 HydrophobicContact CZ2-CB 3.94Å; W57-F113 WeakPolarHBondContact CA-O 2.99Å; W57-C114 HydrophobicContact CD2-CB 4.1Å; W57-C114 HydrophobicContact CE3-CB 4.07Å; W57-C114 HydrophobicContact CH2-CB 3.81Å; W57-C114 HydrophobicContact CZ2-CB 3.83Å; W57-C114 HydrophobicContact CZ3-CB 3.92Å |
| 58 | Y | 96.1 | Very high | 83.8 | Confident | 36 Ų | 36 | 69.5 Ų | 69.5 | 14% | 0.141 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 150.4 | 176 | -60.5 | -76.2 | 0 | 0 | 0 | 111.1 | Y56 L66 Q67 T68 Y112 F113 Q115 F124 | Y56-Y58 VanDerWaalsContact CB-CE2 3.43Å; Y56-Y58 HydrophobicContact CG-CE2 4.22Å; Y58-L66 HydrophobicContact CD1-CD2 3.71Å; Y58-L66 HydrophobicContact CD1-CG 3.95Å; Y58-L66 HydrophobicContact CD2-CD2 4.32Å; Y58-L66 HydrophobicContact CE1-CD2 4.27Å; Y58-L66 HydrophobicContact CG-CD1 4.41Å; Y58-L66 HydrophobicContact CG-CD2 3.74Å; Y58-L66 HydrophobicContact CG-CG 4.04Å; Y58-Q67 CarbonylContact C-O 3.57Å; Y58-Q67 VanDerWaalsContact CA-O 3.27Å; Y58-Q67 WeakPolarHBondContact CA-O 3.48Å; Y58-T68 HydrophobicContact CE1-CG2 4.3Å; Y58-T68 WeakPolarHBondContact CE1-OG1 3.44Å; Y58-Y112 CarbonylContact O-C 3.51Å; Y58-Y112 VanDerWaalsContact O-CA 3.25Å; Y58-Y112 WeakPolarHBondContact O-CA 3.27Å; Y58-F113 PolarHBondContact N-O 3.41Å; Y58-F113 PolarHBondContact O-N 2.89Å; Y58-Q115 HydrophobicContact CE2-CB 4.04Å; Y58-Q115 PolarHBondContact OH-OE1 2.95Å; Y58-F124 HydrophobicContact CD2-CE1 4.29Å; Y58-F124 HydrophobicContact CE2-CE1 4.49Å |
| 59 | K | 96.4 | Very high | 84.9 | Confident | 14 Ų | 14 | 68.1 Ų | 68.1 | 6% | 0.061 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 128 | 170.3 | -179.4 | -176.5 | -176.4 | -177.3 | 0 | 108.2 | P61 Q67 V69 F83 E107 D108 A110 Y112 | K59-P61 HydrophobicContact CG-CG 4.4Å; K59-Q67 HydrophobicContact CB-CB 4.49Å; K59-Q67 PolarHBondContact N-O 3.28Å; K59-Q67 PolarHBondContact O-N 2.61Å; K59-V69 HydrophobicContact CB-CG2 3.53Å; K59-F83 HydrophobicContact CD-CE1 3.94Å; K59-F83 HydrophobicContact CD-CZ 4.04Å; K59-E107 WeakPolarHBondContact CE-O 3.21Å; K59-E107 PolarHBondContact NZ-O 3.45Å; K59-D108 IonicContact NZ-OD1 3.85Å; K59-A110 HydrophobicContact CD-CB 4.2Å; K59-A110 HydrophobicContact CG-CB 3.46Å; K59-A110 VanDerWaalsContact CG-CB 3.46Å; K59-Y112 HydrophobicContact CB-CD1 4.11Å; K59-Y112 HydrophobicContact CB-CE1 3.81Å; K59-Y112 HydrophobicContact CD-CE1 4.08Å; K59-Y112 WeakPolarHBondContact CD-OH 3.36Å; K59-Y112 WeakPolarHBondContact CE-OH 3.26Å; K59-Y112 HydrophobicContact CG-CD1 4.39Å; K59-Y112 HydrophobicContact CG-CE1 3.8Å; K59-Y112 HydrophobicContact CG-CE2 4.38Å |
| 60 | Q | 94 | Very high | 86.1 | Confident | 83 Ų | 83 | 63 Ų | 63 | 39% | 0.388 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 93.3 | 172.2 | -165.5 | 179.7 | 12 | 0 | 0 | 108.7 | L66 A110 T111 F113 | Q60-L66 HydrophobicContact CB-CD1 3.69Å; Q60-L66 HydrophobicContact CG-CD1 4.22Å; Q60-A110 WeakPolarHBondContact O-CB 3.28Å; Q60-T111 PolarHBondContact N-O 2.83Å; Q60-T111 PolarHBondContact O-N 3.3Å; Q60-F113 HydrophobicContact CB-CE2 4.14Å |
| 61 | P | 87.3 | Confident | 87.3 | Confident | 20 Ų | 20 | 59.4 Ų | 59.4 | 13% | 0.13 | 31% | 0.31 | C | S | . | . | trans | -65.4 | 145.6 | 169.4 | -8.9 | 24.3 | 0 | 0 | 0 | 109.4 | K59 G63 H64 | K59-P61 HydrophobicContact CG-CG 4.4Å; P61-G63 PolarHBondContact O-N 3Å; P61-H64 HydrophobicContact CB-CB 3.97Å; P61-H64 HydrophobicContact CG-CB 4.07Å; P61-H64 PolarHBondContact O-N 3.05Å; P61-H64 VanDerWaalsContact O-N 3.08Å | ||
| 62 | L | 80.7 | Confident | 88.2 | Confident | 116 Ų | 116 | 56.2 Ų | 56.2 | 61% | 0.607 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 131.3 | 179.1 | -67.4 | 174.5 | 0 | 0 | 0 | 110.6 | H64 Y129 | L62-H64 PolarHBondContact O-N 3.44Å; L62-H64 PolarHBondContact O-ND1 3.03Å; L62-Y129 HydrophobicContact CD1-CE2 4.41Å; L62-Y129 HydrophobicContact CG-CE2 4.49Å |
| 63 | G | 73.8 | Confident | 88.9 | Confident | 89 Ų | 89 | 57.2 Ų | 57.2 | 92% | 0.918 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | 3.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | P61 | P61-G63 PolarHBondContact O-N 3Š|
| 64 | H | 79.4 | Confident | 88.6 | Confident | 126 Ų | 126 | 57 Ų | 57 | 58% | 0.583 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -117.2 | 163.1 | -177.2 | -64.7 | 76.6 | 0 | 0 | 0 | 112.3 | P61 L62 | P61-H64 HydrophobicContact CB-CB 3.97Å; P61-H64 HydrophobicContact CG-CB 4.07Å; P61-H64 PolarHBondContact O-N 3.05Å; P61-H64 VanDerWaalsContact O-N 3.08Å; L62-H64 PolarHBondContact O-N 3.44Å; L62-H64 PolarHBondContact O-ND1 3.03Å |
| 65 | M | 83.9 | Confident | 87.9 | Confident | 173 Ų | 173 | 59.2 Ų | 59.2 | 85% | 0.852 | 33% | 0.33 | S | S | * | . | trans | -68.6 | 155.4 | 172.1 | -75.3 | -163.6 | 176.3 | 0 | 0 | 112.1 | Q67 | M65-Q67 PolarHBondContact O-N 2.02Š| ||
| 66 | L | 92.2 | Very high | 87.4 | Confident | 81 Ų | 81 | 66.1 Ų | 66.1 | 42% | 0.424 | 36% | 0.363 | S | S | . | . | trans | -62.8 | 130.1 | 175.9 | -163.9 | 72 | 0 | 0 | 0 | 110.9 | Y58 Q60 F113 | Y58-L66 HydrophobicContact CD1-CD2 3.71Å; Y58-L66 HydrophobicContact CD1-CG 3.95Å; Y58-L66 HydrophobicContact CD2-CD2 4.32Å; Y58-L66 HydrophobicContact CE1-CD2 4.27Å; Y58-L66 HydrophobicContact CG-CD1 4.41Å; Y58-L66 HydrophobicContact CG-CD2 3.74Å; Y58-L66 HydrophobicContact CG-CG 4.04Å; Q60-L66 HydrophobicContact CB-CD1 3.69Å; Q60-L66 HydrophobicContact CG-CD1 4.22Å; L66-F113 HydrophobicContact CD1-CD2 4.22Å | ||
| 67 | Q | 95.5 | Very high | 87 | Confident | 53 Ų | 53 | 67.5 Ų | 67.5 | 25% | 0.248 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 132.3 | 179 | -66 | 171.6 | -7.6 | 0 | 0 | 109.8 | Y58 K59 M65 V69 F83 | Y58-Q67 CarbonylContact C-O 3.57Å; Y58-Q67 VanDerWaalsContact CA-O 3.27Å; Y58-Q67 WeakPolarHBondContact CA-O 3.48Å; K59-Q67 HydrophobicContact CB-CB 4.49Å; K59-Q67 PolarHBondContact N-O 3.28Å; K59-Q67 PolarHBondContact O-N 2.61Å; M65-Q67 PolarHBondContact O-N 2.02Å; Q67-V69 PolarHBondContact O-N 2.88Å; Q67-F83 HydrophobicContact CB-CE2 4.34Å; Q67-F83 HydrophobicContact CB-CZ 4.35Å |
| 68 | T | 96.1 | Very high | 86.7 | Confident | 55 Ų | 55 | 73.5 Ų | 73.5 | 34% | 0.337 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 114.1 | 171.8 | -52.2 | 0 | 0 | 0 | 0 | 109.3 | Y58 T71 S80 | Y58-T68 HydrophobicContact CE1-CG2 4.3Å; Y58-T68 WeakPolarHBondContact CE1-OG1 3.44Å; T68-T71 HydrophobicContact CG2-CG2 3.67Å; T68-S80 WeakPolarHBondContact O-CB 3.22Å; T68-S80 PolarHBondContact O-OG 2.86Å |
| 69 | V | 96.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -47.1 | 175.8 | 179.9 | 0 | 0 | 0 | 0 | 110.3 | W57 K59 Q67 L79 S80 F83 F88 L99 Y112 | W57-V69 HydrophobicContact CB-CB 4.19Å; W57-V69 WeakPolarHBondContact O-CB 3.4Å; W57-V69 PolarHBondContact O-N 3.14Å; K59-V69 HydrophobicContact CB-CG2 3.53Å; Q67-V69 PolarHBondContact O-N 2.88Å; V69-L79 HydrophobicContact CG1-CD2 4.43Å; V69-S80 WeakPolarHBondContact O-CB 3.5Å; V69-S80 PolarHBondContact O-N 2.91Å; V69-F83 HydrophobicContact CB-CD1 4.44Å; V69-F83 HydrophobicContact CB-CD2 4.4Å; V69-F83 HydrophobicContact CB-CG 4.29Å; V69-F83 HydrophobicContact CG1-CB 4.05Å; V69-F83 HydrophobicContact CG1-CD1 3.89Å; V69-F83 HydrophobicContact CG1-CD2 4.45Å; V69-F83 HydrophobicContact CG1-CE1 4.49Å; V69-F83 HydrophobicContact CG1-CG 3.86Å; V69-F83 HydrophobicContact CG2-CD1 4.21Å; V69-F83 HydrophobicContact CG2-CD2 4.46Å; V69-F83 HydrophobicContact CG2-CE1 4Å; V69-F83 HydrophobicContact CG2-CE2 4.25Å; V69-F83 HydrophobicContact CG2-CG 4.44Å; V69-F83 HydrophobicContact CG2-CZ 4.02Å; V69-F88 HydrophobicContact CG1-CD1 4.04Å; V69-F88 HydrophobicContact CG1-CE1 4.45Å; V69-L99 HydrophobicContact CG1-CD1 4.22Å; V69-L99 HydrophobicContact CG1-CD2 3.87Å; V69-Y112 HydrophobicContact CG2-CE1 4.29Å |
| 70 | A | 93.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 152.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y56 W57 K78 L79 L90 | Y56-A70 WeakPolarHBondContact CA-O 3.32Å; W57-A70 HydrophobicContact CB-CB 4.15Å; W57-A70 PolarHBondContact N-O 2.94Å; W57-A70 PolarHBondContact O-N 2.84Å; A70-K78 WeakPolarHBondContact CA-O 3.42Å; A70-L79 HydrophobicContact CB-CD2 4.2Å; A70-L90 HydrophobicContact CB-CD1 3.64Å; A70-L90 HydrophobicContact CB-CD2 3.69Å; A70-L90 HydrophobicContact CB-CG 4.16Å |
| 71 | T | 91.4 | Very high | 86.2 | Confident | 53 Ų | 53 | 78.1 Ų | 78.1 | 33% | 0.325 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 153.8 | 165.9 | 68.9 | 0 | 0 | 0 | 0 | 109 | Y56 T68 K78 | Y56-T71 HydrophobicContact CD1-CG2 3.78Å; Y56-T71 HydrophobicContact CE1-CG2 3.89Å; T68-T71 HydrophobicContact CG2-CG2 3.67Å; T71-K78 PolarHBondContact N-O 3.36Å; T71-K78 PolarHBondContact O-N 2.76Å; T71-K78 VanDerWaalsContact O-O 3.11Å |
| 72 | G | 85.4 | Confident | 86.3 | Confident | 8 Ų | 8 | 83.3 Ų | 83.3 | 8% | 0.082 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164 | 161.2 | 170 | 0 | 0 | 0 | 0 | 0 | 113.6 | F54 F55 E76 | F54-G72 CarbonylContact C-O 3.58Å; F54-G72 WeakPolarHBondContact CA-O 3.27Å; F55-G72 WeakPolarHBondContact CD1-O 2.97Å; F55-G72 VanDerWaalsContact CE1-CA 3.43Å; F55-G72 PolarHBondContact N-O 2.97Å; F55-G72 PolarHBondContact O-N 2.86Å; G72-E76 CarbonylContact C-O 3.59Å; G72-E76 VanDerWaalsContact CA-O 3.26Å; G72-E76 WeakPolarHBondContact CA-O 3.47Å |
| 73 | S | 80.9 | Confident | 86.8 | Confident | 32 Ų | 32 | 78.1 Ų | 78.1 | 22% | 0.224 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | -171.2 | 177.2 | 72.9 | 0 | 0 | 0 | 0 | 109.7 | K53 T75 E76 | K53-S73 VanDerWaalsContact O-CA 3.32Å; K53-S73 WeakPolarHBondContact O-CA 3.45Å; S73-T75 PolarHBondContact O-N 3.2Å; S73-T75 PolarHBondContact OG-N 2.8Å; S73-T75 VanDerWaalsContact OG-N 3.14Å; S73-T75 PolarHBondContact OG-OG1 2.88Å; S73-T75 VanDerWaalsContact OG-OG1 3.12Å; S73-E76 PolarHBondContact N-O 2.95Å; S73-E76 PolarHBondContact OG-N 3.26Å; S73-E76 VanDerWaalsContact OG-N 3.13Å |
| 74 | L | 73.3 | Confident | 87.6 | Confident | 111 Ų | 111 | 79.4 Ų | 79.4 | 58% | 0.581 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -64.9 | -23.4 | 170.1 | -70.9 | 167.9 | 0 | 0 | 0 | 113.7 | R52 K53 | R52-L74 WeakPolarHBondContact O-CD2 3.25Å; K53-L74 HydrophobicContact CG-CD1 4.23Å |
| 75 | T | 71.8 | Confident | 88.1 | Confident | 125 Ų | 125 | 76.1 Ų | 76.1 | 77% | 0.767 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -108.7 | -31.8 | -172.2 | 55.7 | 0 | 0 | 0 | 0 | 113.4 | S73 | S73-T75 PolarHBondContact O-N 3.2Å; S73-T75 PolarHBondContact OG-N 2.8Å; S73-T75 VanDerWaalsContact OG-N 3.14Å; S73-T75 PolarHBondContact OG-OG1 2.88Å; S73-T75 VanDerWaalsContact OG-OG1 3.12Å |
| 76 | E | 79.7 | Confident | 88.4 | Confident | 147 Ų | 147 | 75.2 Ų | 75.2 | 69% | 0.687 | 39% | 0.393 | S | S | * | . | trans | -137.6 | 151.3 | -172.1 | -67.6 | -176.2 | -178.7 | 0 | 0 | 111.8 | G72 S73 | G72-E76 CarbonylContact C-O 3.59Å; G72-E76 VanDerWaalsContact CA-O 3.26Å; G72-E76 WeakPolarHBondContact CA-O 3.47Å; S73-E76 PolarHBondContact N-O 2.95Å; S73-E76 PolarHBondContact OG-N 3.26Å; S73-E76 VanDerWaalsContact OG-N 3.13Å | ||
| 77 | Q | 83.6 | Confident | 88.5 | Confident | 92 Ų | 92 | 74.1 Ų | 74.1 | 43% | 0.43 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 128.8 | 175.8 | -61.1 | 175.8 | 62.5 | 0 | 0 | 107.9 | F55 L90 A92 | F55-Q77 HydrophobicContact CE1-CG 4.03Å; F55-Q77 HydrophobicContact CZ-CB 4.48Å; F55-Q77 HydrophobicContact CZ-CG 3.85Å; Q77-L90 HydrophobicContact CB-CD1 4.09Å; Q77-A92 VanDerWaalsContact NE2-CB 3.29Å |
| 78 | K | 90 | Very high | 88.5 | Confident | 130 Ų | 130 | 71.8 Ų | 71.8 | 57% | 0.565 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 124.7 | -174.3 | -178.2 | 170.4 | 179.1 | -177.2 | 0 | 110.4 | A70 T71 | A70-K78 WeakPolarHBondContact CA-O 3.42Å; T71-K78 PolarHBondContact N-O 3.36Å; T71-K78 PolarHBondContact O-N 2.76Å; T71-K78 VanDerWaalsContact O-O 3.11Å |
| 79 | L | 93.2 | Very high | 88.3 | Confident | 23 Ų | 23 | 71.9 Ų | 71.9 | 12% | 0.12 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 138.5 | 162.8 | -72.1 | 162.4 | 0 | 0 | 0 | 108.9 | V69 A70 F83 N84 F88 L90 | V69-L79 HydrophobicContact CG1-CD2 4.43Å; A70-L79 HydrophobicContact CB-CD2 4.2Å; L79-F83 HydrophobicContact CD2-CB 4.43Å; L79-N84 HydrophobicContact CB-CB 4.09Å; L79-F88 HydrophobicContact CD1-CB 4.2Å; L79-F88 VanDerWaalsContact CD1-O 3.31Å; L79-F88 WeakPolarHBondContact CD1-O 2.98Å; L79-F88 HydrophobicContact CD2-CB 3.89Å; L79-L90 HydrophobicContact CD2-CD1 4.38Å; L79-L90 HydrophobicContact CD2-CG 4.32Å; L79-L90 HydrophobicContact CG-CD1 4.36Å |
| 80 | S | 92.5 | Very high | 88.1 | Confident | 46 Ų | 46 | 73.7 Ų | 73.7 | 32% | 0.322 | 38% | 0.38 | S | S | . | . | trans | -63 | 151.7 | 170.1 | -178.1 | 0 | 0 | 0 | 0 | 109.9 | T68 V69 Q82 F83 N84 | T68-S80 WeakPolarHBondContact O-CB 3.22Å; T68-S80 PolarHBondContact O-OG 2.86Å; V69-S80 WeakPolarHBondContact O-CB 3.5Å; V69-S80 PolarHBondContact O-N 2.91Å; S80-Q82 VanDerWaalsContact C-N 3.29Å; S80-Q82 PolarHBondContact O-N 3.25Å; S80-F83 CarbonylContact O-C 3.59Å; S80-F83 WeakPolarHBondContact O-CA 3.45Å; S80-F83 PolarHBondContact O-N 2.68Å; S80-N84 PolarHBondContact O-N 3.18Å | ||
| 81 | E | 89.4 | Confident | 87.7 | Confident | 161 Ų | 161 | 76.9 Ų | 76.9 | 75% | 0.752 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -56.5 | -40.5 | -167.1 | -64.9 | 178.7 | 176.7 | 0 | 0 | 113.2 | F83 N84 | E81-F83 PolarHBondContact O-N 2.87Å; E81-N84 PolarHBondContact O-N 3.34Å |
| 82 | Q | 89.2 | Confident | 87 | Confident | 129 Ų | 129 | 76.3 Ų | 76.3 | 60% | 0.603 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -61.2 | -28.8 | 175.1 | -175.2 | 179.4 | 11 | 0 | 0 | 113.5 | S80 | S80-Q82 VanDerWaalsContact C-N 3.29Å; S80-Q82 PolarHBondContact O-N 3.25Å |
| 83 | F | 92 | Very high | 86.5 | Confident | 7 Ų | 7 | 77.1 Ų | 77.1 | 3% | 0.031 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -105.5 | -3.1 | -176.5 | -59.9 | -86.5 | 0 | 0 | 0 | 112.7 | K59 Q67 V69 L79 S80 E81 N85 F88 | K59-F83 HydrophobicContact CD-CE1 3.94Å; K59-F83 HydrophobicContact CD-CZ 4.04Å; Q67-F83 HydrophobicContact CB-CE2 4.34Å; Q67-F83 HydrophobicContact CB-CZ 4.35Å; V69-F83 HydrophobicContact CB-CD1 4.44Å; V69-F83 HydrophobicContact CB-CD2 4.4Å; V69-F83 HydrophobicContact CB-CG 4.29Å; V69-F83 HydrophobicContact CG1-CB 4.05Å; V69-F83 HydrophobicContact CG1-CD1 3.89Å; V69-F83 HydrophobicContact CG1-CD2 4.45Å; V69-F83 HydrophobicContact CG1-CE1 4.49Å; V69-F83 HydrophobicContact CG1-CG 3.86Å; V69-F83 HydrophobicContact CG2-CD1 4.21Å; V69-F83 HydrophobicContact CG2-CD2 4.46Å; V69-F83 HydrophobicContact CG2-CE1 4Å; V69-F83 HydrophobicContact CG2-CE2 4.25Å; V69-F83 HydrophobicContact CG2-CG 4.44Å; V69-F83 HydrophobicContact CG2-CZ 4.02Å; L79-F83 HydrophobicContact CD2-CB 4.43Å; S80-F83 CarbonylContact O-C 3.59Å; S80-F83 WeakPolarHBondContact O-CA 3.45Å; S80-F83 PolarHBondContact O-N 2.68Å; E81-F83 PolarHBondContact O-N 2.87Å; F83-N85 PolarHBondContact O-N 2.71Å; F83-F88 HydrophobicContact CB-CD2 4.37Å; F83-F88 HydrophobicContact CB-CG 4.32Å; F83-F88 HydrophobicContact CD1-CD1 4.14Å; F83-F88 HydrophobicContact CD1-CD2 4.21Å; F83-F88 AromaticContact CD1-CE1 3.82Å; F83-F88 HydrophobicContact CD1-CE1 3.82Å; F83-F88 AromaticContact CD1-CE2 3.91Å; F83-F88 HydrophobicContact CD1-CE2 3.91Å; F83-F88 HydrophobicContact CD1-CG 4.34Å; F83-F88 AromaticContact CD1-CZ 3.72Å; F83-F88 HydrophobicContact CD1-CZ 3.72Å; F83-F88 HydrophobicContact CE1-CE1 4.33Å; F83-F88 HydrophobicContact CE1-CZ 4.15Å; F83-F88 WeakPolarHBondContact O-CB 3.43Å |
| 84 | N | 90.3 | Very high | 86 | Confident | 115 Ų | 115 | 81 Ų | 81 | 62% | 0.615 | 43% | 0.427 | S | S | * | . | trans | -78.9 | 69 | 179.8 | -171.6 | 32.8 | 0 | 0 | 0 | 111.1 | L79 S80 E81 | L79-N84 HydrophobicContact CB-CB 4.09Å; S80-N84 PolarHBondContact O-N 3.18Å; E81-N84 PolarHBondContact O-N 3.34Å | ||
| 85 | N | 89.8 | Confident | 86 | Confident | 58 Ų | 58 | 79.5 Ų | 79.5 | 31% | 0.31 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -143 | 164.9 | 178.5 | 65.3 | 67.6 | 0 | 0 | 0 | 109.8 | F83 R87 F88 | F83-N85 PolarHBondContact O-N 2.71Å; N85-R87 PolarHBondContact O-N 2.93Å; N85-R87 WeakPolarHBondContact OD1-CB 3.36Å; N85-R87 WeakPolarHBondContact OD1-CG 3.33Å; N85-R87 PolarHBondContact OD1-N 2.98Å; N85-F88 PolarHBondContact O-N 2.04Å |
| 86 | N | 90.2 | Very high | 86.4 | Confident | 154 Ų | 154 | 76.4 Ų | 76.4 | 82% | 0.824 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -11.9 | -172.8 | -62.8 | -9.3 | 0 | 0 | 0 | 115 | N89 | N86-N89 PolarHBondContact O-ND2 3Š|
| 87 | R | 95.2 | Very high | 86.7 | Confident | 57 Ų | 57 | 69.5 Ų | 69.5 | 22% | 0.215 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -43.3 | 177.1 | -53.9 | -160.3 | -55 | 132.7 | 5.5 | 112 | N85 I101 K102 N103 D108 | N85-R87 PolarHBondContact O-N 2.93Å; N85-R87 WeakPolarHBondContact OD1-CB 3.36Å; N85-R87 WeakPolarHBondContact OD1-CG 3.33Å; N85-R87 PolarHBondContact OD1-N 2.98Å; R87-I101 CarbonylContact O-C 3.23Å; R87-K102 VanDerWaalsContact CB-O 3.28Å; R87-K102 WeakPolarHBondContact CB-O 2.99Å; R87-K102 PolarHBondContact O-N 2.94Å; R87-N103 PolarHBondContact NH1-O 2.81Å; R87-D108 IonicContact CZ-OD1 3.54Å; R87-D108 IonicContact CZ-OD2 3.84Å; R87-D108 IonicContact NH1-OD1 3.22Å; R87-D108 IonicContact NH1-OD2 3.84Å; R87-D108 PolarHBondContact NH1-OD2 3.21Å; R87-D108 IonicContact NH2-OD1 3.4Å; R87-D108 PolarHBondContact NH2-OD1 3.17Å; R87-D108 IonicContact NH2-OD2 2.94Å; R87-D108 PolarHBondContact NH2-OD2 3.27Å |
| 88 | F | 94.8 | Very high | 87 | Confident | 4 Ų | 4 | 65.1 Ų | 65.1 | 2% | 0.018 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 133.4 | -176.5 | -64.5 | -96.7 | 0 | 0 | 0 | 110.6 | V69 L79 F83 N85 L99 T100 I101 | V69-F88 HydrophobicContact CG1-CD1 4.04Å; V69-F88 HydrophobicContact CG1-CE1 4.45Å; L79-F88 HydrophobicContact CD1-CB 4.2Å; L79-F88 VanDerWaalsContact CD1-O 3.31Å; L79-F88 WeakPolarHBondContact CD1-O 2.98Å; L79-F88 HydrophobicContact CD2-CB 3.89Å; F83-F88 HydrophobicContact CB-CD2 4.37Å; F83-F88 HydrophobicContact CB-CG 4.32Å; F83-F88 HydrophobicContact CD1-CD1 4.14Å; F83-F88 HydrophobicContact CD1-CD2 4.21Å; F83-F88 AromaticContact CD1-CE1 3.82Å; F83-F88 HydrophobicContact CD1-CE1 3.82Å; F83-F88 AromaticContact CD1-CE2 3.91Å; F83-F88 HydrophobicContact CD1-CE2 3.91Å; F83-F88 HydrophobicContact CD1-CG 4.34Å; F83-F88 AromaticContact CD1-CZ 3.72Å; F83-F88 HydrophobicContact CD1-CZ 3.72Å; F83-F88 HydrophobicContact CE1-CE1 4.33Å; F83-F88 HydrophobicContact CE1-CZ 4.15Å; F83-F88 WeakPolarHBondContact O-CB 3.43Å; N85-F88 PolarHBondContact O-N 2.04Å; F88-L99 HydrophobicContact CD1-CD1 4.35Å; F88-T100 CarbonylContact C-O 3.59Å; F88-T100 WeakPolarHBondContact CA-O 3.42Å; F88-I101 HydrophobicContact CD1-CB 4.45Å; F88-I101 HydrophobicContact CD1-CD1 4.35Å; F88-I101 HydrophobicContact CD1-CG1 3.83Å; F88-I101 HydrophobicContact CD1-CG2 4.15Å; F88-I101 HydrophobicContact CE1-CB 4.28Å; F88-I101 HydrophobicContact CE1-CD1 3.77Å; F88-I101 HydrophobicContact CE1-CG1 3.7Å; F88-I101 HydrophobicContact CE1-CG2 3.69Å; F88-I101 HydrophobicContact CE2-CG2 4.38Å; F88-I101 HydrophobicContact CZ-CG2 3.8Å |
| 89 | N | 92.6 | Very high | 87.2 | Confident | 58 Ų | 58 | 59 Ų | 59 | 31% | 0.31 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 140.8 | 179.7 | -66.5 | -94 | 0 | 0 | 0 | 110 | N86 T100 | N86-N89 PolarHBondContact O-ND2 3Å; N89-T100 PolarHBondContact N-O 2.89Å; N89-T100 PolarHBondContact O-N 2.86Å |
| 90 | L | 90.4 | Very high | 87.3 | Confident | 38 Ų | 38 | 58.8 Ų | 58.8 | 20% | 0.199 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 130.5 | 176.9 | -66 | 165.1 | 0 | 0 | 0 | 110.2 | F55 A70 Q77 L79 L99 | F55-L90 HydrophobicContact CE2-CD2 4.47Å; A70-L90 HydrophobicContact CB-CD1 3.64Å; A70-L90 HydrophobicContact CB-CD2 3.69Å; A70-L90 HydrophobicContact CB-CG 4.16Å; Q77-L90 HydrophobicContact CB-CD1 4.09Å; L79-L90 HydrophobicContact CD2-CD1 4.38Å; L79-L90 HydrophobicContact CD2-CG 4.32Å; L79-L90 HydrophobicContact CG-CD1 4.36Å; L90-L99 HydrophobicContact CD2-CD1 3.88Å |
| 91 | T | 86.3 | Confident | 87.5 | Confident | 67 Ų | 67 | 56.6 Ų | 56.6 | 41% | 0.411 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 93.4 | 177.5 | -54.2 | 0 | 0 | 0 | 0 | 109.8 | S98 | T91-S98 PolarHBondContact N-O 2.86Å; T91-S98 PolarHBondContact O-N 2.71Å |
| 92 | A | 77.3 | Confident | 87.9 | Confident | 41 Ų | 41 | 53.1 Ų | 53.1 | 34% | 0.339 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 121.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q77 Q96 | Q77-A92 VanDerWaalsContact NE2-CB 3.29Å; A92-Q96 WeakPolarHBondContact CA-O 3.48Å |
| 93 | G | 74.2 | Confident | 88.1 | Confident | 25 Ų | 25 | 51.6 Ų | 51.6 | 26% | 0.258 | 29% | 0.286 | S | S | . | . | trans | -114.6 | -172.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R52 S95 Q96 | R52-G93 PolarHBondContact NH1-O 3.13Å; R52-G93 PolarHBondContact NH2-O 3.19Å; G93-S95 VanDerWaalsContact C-N 3.31Å; G93-S95 PolarHBondContact O-N 2.97Å; G93-Q96 PolarHBondContact N-O 2.87Å | ||
| 94 | D | 70.7 | Confident | 88.2 | Confident | 113 Ų | 113 | 51.3 Ų | 51.3 | 60% | 0.604 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -64.8 | -33.3 | 178.9 | -65.5 | -31.2 | 0 | 0 | 0 | 113.1 | K49 | K49-D94 HydrophobicContact CD-CB 4.43Å; K49-D94 VanDerWaalsContact CD-OD1 3.31Å; K49-D94 WeakPolarHBondContact CD-OD1 3.37Å; K49-D94 WeakPolarHBondContact CE-OD1 3.36Å; K49-D94 PolarHBondContact N-O 3.01Å; K49-D94 IonicContact NZ-OD1 2.87Å; K49-D94 PolarHBondContact NZ-OD1 2.98Å |
| 95 | S | 73.4 | Confident | 88.3 | Confident | 80 Ų | 80 | 47.5 Ų | 47.5 | 56% | 0.559 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -112.5 | -8.4 | -176 | 52.8 | 0 | 0 | 0 | 0 | 114.9 | L47 G93 | L47-S95 CarbonylContact C-O 3.25Å; L47-S95 CarbonylContact O-C 3.51Å; L47-S95 VanDerWaalsContact O-C 3.25Å; L47-S95 VanDerWaalsContact O-O 3.1Å; G93-S95 VanDerWaalsContact C-N 3.31Å; G93-S95 PolarHBondContact O-N 2.97Å |
| 96 | Q | 80.1 | Confident | 88.3 | Confident | 60 Ų | 60 | 49.6 Ų | 49.6 | 28% | 0.28 | 27% | 0.274 | S | S | . | . | trans | -143.1 | 152.3 | -171.3 | 66.6 | 177.5 | 50.4 | 0 | 0 | 113.9 | H44 C45 L47 R52 A92 G93 S98 | H44-Q96 PolarHBondContact CE1-OE1 2.82Å; H44-Q96 VanDerWaalsContact CE1-OE1 3.25Å; C45-Q96 WeakPolarHBondContact O-CA 3.43Å; L47-Q96 PolarHBondContact O-N 3.34Å; R52-Q96 VanDerWaalsContact NH2-C 3.29Å; R52-Q96 PolarHBondContact NH2-O 2.72Å; A92-Q96 WeakPolarHBondContact CA-O 3.48Å; G93-Q96 PolarHBondContact N-O 2.87Å; Q96-S98 PolarHBondContact NE2-OG 3.43Å | ||
| 97 | C | 85.5 | Confident | 88.3 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 70.3 | 172.9 | -125.3 | 0 | 0 | 0 | 0 | 110.8 | C45 R52 F55 W57 | C45-C97 WeakPolarHBondContact CB-O 3.35Å; C45-C97 PolarHBondContact O-N 3.49Å; C45-C97 VanDerWaalsContact O-N 3.11Å; R52-C97 VanDerWaalsContact CD-SG 3.54Å; R52-C97 VanDerWaalsContact CZ-SG 3.53Å; R52-C97 PolarHBondContact NH1-SG 2.93Å; F55-C97 HydrophobicContact CD2-CB 4.2Å; F55-C97 VanDerWaalsContact CE1-SG 3.53Å; F55-C97 HydrophobicContact CE2-CB 4.26Å; F55-C97 VanDerWaalsContact CE2-SG 3.57Å; F55-C97 HydrophobicContact CG-CB 4.5Å; F55-C97 WeakPolarHBondContact CZ-SG 3.42Å; W57-C97 PolarHBondContact NE1-O 2.89Å |
| 98 | S | 90.9 | Very high | 88.2 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.007 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 145.2 | -168.1 | -47 | 0 | 0 | 0 | 0 | 112.1 | L43 H44 T91 Q96 | L43-S98 CarbonylContact O-C 3.58Å; L43-S98 VanDerWaalsContact O-CA 3.25Å; L43-S98 WeakPolarHBondContact O-CA 3.36Å; L43-S98 WeakPolarHBondContact O-CB 3.49Å; H44-S98 PolarHBondContact ND1-OG 2.77Å; T91-S98 PolarHBondContact N-O 2.86Å; T91-S98 PolarHBondContact O-N 2.71Å; Q96-S98 PolarHBondContact NE2-OG 3.43Å |
| 99 | L | 94 | Very high | 88.2 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 119.9 | 175 | 174.6 | 67 | 0 | 0 | 0 | 110.1 | T42 L43 W57 V69 F88 L90 I101 Y112 | T42-L99 CarbonylContact C-O 3.56Å; T42-L99 WeakPolarHBondContact CA-O 3.48Å; L43-L99 HydrophobicContact CB-CB 4.47Å; L43-L99 HydrophobicContact CD1-CD2 4.33Å; L43-L99 PolarHBondContact N-O 2.82Å; L43-L99 PolarHBondContact O-N 2.86Å; W57-L99 HydrophobicContact CB-CD2 4.23Å; W57-L99 HydrophobicContact CD2-CB 3.76Å; W57-L99 HydrophobicContact CD2-CD2 4.09Å; W57-L99 HydrophobicContact CE3-CB 4.32Å; W57-L99 HydrophobicContact CE3-CD2 4.19Å; W57-L99 HydrophobicContact CG-CB 4.03Å; W57-L99 HydrophobicContact CG-CD2 4.14Å; W57-L99 HydrophobicContact CH2-CB 4.48Å; W57-L99 HydrophobicContact CZ2-CB 3.94Å; V69-L99 HydrophobicContact CG1-CD1 4.22Å; V69-L99 HydrophobicContact CG1-CD2 3.87Å; F88-L99 HydrophobicContact CD1-CD1 4.35Å; L90-L99 HydrophobicContact CD2-CD1 3.88Å; L99-I101 HydrophobicContact CD2-CD1 4.47Å; L99-I101 HydrophobicContact CD2-CG1 4.43Å; L99-I101 HydrophobicContact CG-CG1 4.27Å; L99-Y112 HydrophobicContact CD2-CD1 4.15Å; L99-Y112 HydrophobicContact CD2-CE1 4.37Å |
| 100 | T | 95.3 | Very high | 88.3 | Confident | 19 Ų | 19 | 46.4 Ų | 46.4 | 12% | 0.117 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 128.3 | 174.1 | -59.1 | 0 | 0 | 0 | 0 | 110.1 | I41 T42 F88 N89 K102 | I41-T100 CarbonylContact O-C 3.57Å; I41-T100 VanDerWaalsContact O-CA 3.29Å; I41-T100 WeakPolarHBondContact O-CA 3.47Å; T42-T100 WeakPolarHBondContact CG2-OG1 3.37Å; T42-T100 PolarHBondContact OG1-OG1 3.17Å; F88-T100 CarbonylContact C-O 3.59Å; F88-T100 WeakPolarHBondContact CA-O 3.42Å; N89-T100 PolarHBondContact N-O 2.89Å; N89-T100 PolarHBondContact O-N 2.86Å; T100-K102 HydrophobicContact CG2-CG 4.21Å |
| 101 | I | 96.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 124.8 | 174.7 | -45.1 | 174 | 0 | 0 | 0 | 107.6 | N40 I41 L43 R87 F88 L99 I104 Y112 L130 | N40-I101 CarbonylContact C-O 3.55Å; N40-I101 WeakPolarHBondContact CA-O 3.47Å; I41-I101 HydrophobicContact CG2-CB 3.87Å; I41-I101 HydrophobicContact CG2-CD1 4.29Å; I41-I101 HydrophobicContact CG2-CG1 4.2Å; I41-I101 PolarHBondContact N-O 2.89Å; I41-I101 PolarHBondContact O-N 3.31Å; L43-I101 HydrophobicContact CD1-CD1 4.08Å; R87-I101 CarbonylContact O-C 3.23Å; F88-I101 HydrophobicContact CD1-CB 4.45Å; F88-I101 HydrophobicContact CD1-CD1 4.35Å; F88-I101 HydrophobicContact CD1-CG1 3.83Å; F88-I101 HydrophobicContact CD1-CG2 4.15Å; F88-I101 HydrophobicContact CE1-CB 4.28Å; F88-I101 HydrophobicContact CE1-CD1 3.77Å; F88-I101 HydrophobicContact CE1-CG1 3.7Å; F88-I101 HydrophobicContact CE1-CG2 3.69Å; F88-I101 HydrophobicContact CE2-CG2 4.38Å; F88-I101 HydrophobicContact CZ-CG2 3.8Å; L99-I101 HydrophobicContact CD2-CD1 4.47Å; L99-I101 HydrophobicContact CD2-CG1 4.43Å; L99-I101 HydrophobicContact CG-CG1 4.27Å; I101-I104 HydrophobicContact CB-CG1 4.49Å; I101-I104 HydrophobicContact CG2-CG1 4.2Å; I101-Y112 HydrophobicContact CD1-CE1 3.8Å; I101-Y112 HydrophobicContact CD1-CE2 4.3Å; I101-L130 HydrophobicContact CD1-CD2 4.31Å |
| 102 | K | 96.3 | Very high | 89 | Confident | 88 Ų | 88 | 42.3 Ų | 42.3 | 38% | 0.383 | 23% | 0.231 | S | C | . | . | trans | -110.9 | 151 | -179 | -58.1 | 173.7 | -178.4 | 167.4 | 0 | 111.8 | N40 R87 T100 | N40-K102 WeakPolarHBondContact OD1-CA 3.38Å; N40-K102 WeakPolarHBondContact OD1-CB 3.25Å; R87-K102 VanDerWaalsContact CB-O 3.28Å; R87-K102 WeakPolarHBondContact CB-O 2.99Å; R87-K102 PolarHBondContact O-N 2.94Å; T100-K102 HydrophobicContact CG2-CG 4.21Å | ||
| 103 | N | 94.4 | Very high | 89.9 | Confident | 98 Ų | 98 | 42.2 Ų | 42.2 | 52% | 0.524 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 50.3 | 59.8 | -179 | -172.6 | 33.1 | 0 | 0 | 0 | 110.7 | G39 N40 R87 | G39-N103 PolarHBondContact O-N 2.75Å; G39-N103 VanDerWaalsContact O-N 3.1Å; N40-N103 PolarHBondContact OD1-N 2.98Å; R87-N103 PolarHBondContact NH1-O 2.81Å |
| 104 | I | 94.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | trans | -60.5 | 133.1 | -176.2 | -69.6 | 165 | 0 | 0 | 0 | 110.1 | V35 V37 G38 G39 I41 I101 D108 V132 | V35-I104 HydrophobicContact CB-CD1 3.96Å; V35-I104 HydrophobicContact CG1-CD1 3.62Å; V35-I104 HydrophobicContact CG2-CD1 4.37Å; V37-I104 WeakPolarHBondContact CA-O 3.35Å; G38-I104 PolarHBondContact N-O 2.9Å; G39-I104 WeakPolarHBondContact O-CG1 3.04Å; G39-I104 PolarHBondContact O-N 2.89Å; I41-I104 HydrophobicContact CB-CD1 3.87Å; I41-I104 HydrophobicContact CG2-CD1 3.62Å; I41-I104 HydrophobicContact CG2-CG1 4.41Å; I101-I104 HydrophobicContact CB-CG1 4.49Å; I101-I104 HydrophobicContact CG2-CG1 4.2Å; I104-D108 HydrophobicContact CG2-CB 4.3Å; I104-V132 HydrophobicContact CG2-CB 4.28Å; I104-V132 HydrophobicContact CG2-CG1 3.78Å; I104-V132 HydrophobicContact CG2-CG2 3.46Å; I104-V132 VanDerWaalsContact CG2-CG2 3.46Å | ||
| 105 | S | 92.6 | Very high | 91.8 | Very high | 34 Ų | 34 | 37.2 Ų | 37.2 | 24% | 0.238 | 19% | 0.189 | C | C | . | . | trans | -113.7 | 167.5 | 172.2 | 79.4 | 0 | 0 | 0 | 0 | 110.5 | E107 D108 | S105-E107 PolarHBondContact O-N 3.49Å; S105-E107 VanDerWaalsContact O-N 3.12Å; S105-E107 PolarHBondContact OG-N 3.12Å; S105-D108 PolarHBondContact N-OD2 2.84Å; S105-D108 WeakPolarHBondContact O-CB 3.34Å; S105-D108 PolarHBondContact O-N 3.32Å; S105-D108 PolarHBondContact OG-OD2 2.88Å | ||
| 106 | K | 87.9 | Confident | 92.6 | Very high | 103 Ų | 103 | 33.4 Ų | 33.4 | 45% | 0.448 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -61.4 | -21.4 | 177.5 | -168.5 | 54.6 | 166.5 | 179.7 | 0 | 113.3 | D108 E109 V132 | K106-D108 PolarHBondContact O-N 3.08Å; K106-E109 HydrophobicContact CD-CB 4.47Å; K106-E109 WeakPolarHBondContact CE-OE1 3.34Å; K106-E109 IonicContact NZ-OE1 3.6Å; K106-E109 PolarHBondContact NZ-OE1 2.88Å; K106-E109 IonicContact NZ-OE2 3.67Å; K106-E109 PolarHBondContact NZ-OE2 2.84Å; K106-E109 WeakPolarHBondContact O-CB 3.27Å; K106-E109 PolarHBondContact O-N 2.83Å; K106-V132 HydrophobicContact CD-CB 4.04Å; K106-V132 HydrophobicContact CD-CG1 4.44Å; K106-V132 PolarHBondContact NZ-O 2.88Å |
| 107 | E | 90.2 | Very high | 93 | Very high | 157 Ų | 157 | 30.9 Ų | 30.9 | 73% | 0.734 | 15% | 0.152 | S | C | * | . | G | 310 helix | trans | -69.9 | -19.5 | 173.7 | -59.3 | 179.7 | 173.7 | 0 | 0 | 113 | K59 S105 E109 | K59-E107 WeakPolarHBondContact CE-O 3.21Å; K59-E107 PolarHBondContact NZ-O 3.45Å; S105-E107 PolarHBondContact O-N 3.49Å; S105-E107 VanDerWaalsContact O-N 3.12Å; S105-E107 PolarHBondContact OG-N 3.12Å; E107-E109 VanDerWaalsContact C-N 3.28Å |
| 108 | D | 93.9 | Very high | 93 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.016 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -82.1 | -5.5 | 177.2 | -56.8 | -48.6 | 0 | 0 | 0 | 112.9 | K59 R87 I104 S105 K106 A110 Y112 | K59-D108 IonicContact NZ-OD1 3.85Å; R87-D108 IonicContact CZ-OD1 3.54Å; R87-D108 IonicContact CZ-OD2 3.84Å; R87-D108 IonicContact NH1-OD1 3.22Å; R87-D108 IonicContact NH1-OD2 3.84Å; R87-D108 PolarHBondContact NH1-OD2 3.21Å; R87-D108 IonicContact NH2-OD1 3.4Å; R87-D108 PolarHBondContact NH2-OD1 3.17Å; R87-D108 IonicContact NH2-OD2 2.94Å; R87-D108 PolarHBondContact NH2-OD2 3.27Å; I104-D108 HydrophobicContact CG2-CB 4.3Å; S105-D108 PolarHBondContact N-OD2 2.84Å; S105-D108 WeakPolarHBondContact O-CB 3.34Å; S105-D108 PolarHBondContact O-N 3.32Å; S105-D108 PolarHBondContact OG-OD2 2.88Å; K106-D108 PolarHBondContact O-N 3.08Å; D108-A110 PolarHBondContact O-N 2.87Å; D108-Y112 WeakPolarHBondContact O-CE2 3.47Å; D108-Y112 PolarHBondContact O-OH 2.55Å |
| 109 | E | 94.3 | Very high | 92.6 | Very high | 46 Ų | 46 | 36.2 Ų | 36.2 | 22% | 0.215 | 19% | 0.192 | C | C | . | . | trans | -64.4 | 112.2 | 173.3 | 179.2 | 157.1 | 101.4 | 0 | 0 | 111.5 | K106 E107 L130 A131 V132 | K106-E109 HydrophobicContact CD-CB 4.47Å; K106-E109 WeakPolarHBondContact CE-OE1 3.34Å; K106-E109 IonicContact NZ-OE1 3.6Å; K106-E109 PolarHBondContact NZ-OE1 2.88Å; K106-E109 IonicContact NZ-OE2 3.67Å; K106-E109 PolarHBondContact NZ-OE2 2.84Å; K106-E109 WeakPolarHBondContact O-CB 3.27Å; K106-E109 PolarHBondContact O-N 2.83Å; E107-E109 VanDerWaalsContact C-N 3.28Å; E109-L130 WeakPolarHBondContact CA-O 3.44Å; E109-A131 WeakPolarHBondContact OE2-CA 3.46Å; E109-V132 HydrophobicContact CB-CB 4.39Å; E109-V132 HydrophobicContact CB-CG2 4.05Å; E109-V132 PolarHBondContact OE2-N 2.85Å | ||
| 110 | A | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.1 | 164.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K59 Q60 D108 Y112 L130 | K59-A110 HydrophobicContact CD-CB 4.2Å; K59-A110 HydrophobicContact CG-CB 3.46Å; K59-A110 VanDerWaalsContact CG-CB 3.46Å; Q60-A110 WeakPolarHBondContact O-CB 3.28Å; D108-A110 PolarHBondContact O-N 2.87Å; A110-Y112 HydrophobicContact CB-CD2 4.3Å; A110-Y112 HydrophobicContact CB-CE2 3.8Å; A110-Y112 WeakPolarHBondContact O-CD2 3.45Å; A110-L130 PolarHBondContact N-O 3.47Å; A110-L130 PolarHBondContact O-N 3.3Å |
| 111 | T | 95.4 | Very high | 91.8 | Very high | 19 Ų | 19 | 53 Ų | 53 | 12% | 0.117 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 121.4 | 162.5 | -47.5 | 0 | 0 | 0 | 0 | 109.5 | I30 Q60 F113 M128 | I30-T111 HydrophobicContact CD1-CG2 3.95Å; I30-T111 HydrophobicContact CG2-CG2 4.06Å; Q60-T111 PolarHBondContact N-O 2.83Å; Q60-T111 PolarHBondContact O-N 3.3Å; T111-F113 HydrophobicContact CG2-CD2 4.27Å; T111-F113 HydrophobicContact CG2-CE1 4.05Å; T111-F113 HydrophobicContact CG2-CE2 3.55Å; T111-F113 HydrophobicContact CG2-CZ 3.43Å; T111-F113 VanDerWaalsContact CG2-CZ 3.43Å; T111-M128 CarbonylContact C-O 3.55Å; T111-M128 WeakPolarHBondContact CA-O 3.44Å |
| 112 | Y | 96.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 137.2 | 174.8 | -70.4 | -97 | 0 | 0 | 0 | 110.3 | L43 Y58 K59 V69 L99 I101 D108 A110 G127 M128 L130 | L43-Y112 HydrophobicContact CD1-CD1 3.83Å; L43-Y112 HydrophobicContact CD1-CD2 3.91Å; L43-Y112 HydrophobicContact CD1-CE1 4.47Å; L43-Y112 HydrophobicContact CD1-CG 3.51Å; Y58-Y112 CarbonylContact O-C 3.51Å; Y58-Y112 VanDerWaalsContact O-CA 3.25Å; Y58-Y112 WeakPolarHBondContact O-CA 3.27Å; K59-Y112 HydrophobicContact CB-CD1 4.11Å; K59-Y112 HydrophobicContact CB-CE1 3.81Å; K59-Y112 HydrophobicContact CD-CE1 4.08Å; K59-Y112 WeakPolarHBondContact CD-OH 3.36Å; K59-Y112 WeakPolarHBondContact CE-OH 3.26Å; K59-Y112 HydrophobicContact CG-CD1 4.39Å; K59-Y112 HydrophobicContact CG-CE1 3.8Å; K59-Y112 HydrophobicContact CG-CE2 4.38Å; V69-Y112 HydrophobicContact CG2-CE1 4.29Å; L99-Y112 HydrophobicContact CD2-CD1 4.15Å; L99-Y112 HydrophobicContact CD2-CE1 4.37Å; I101-Y112 HydrophobicContact CD1-CE1 3.8Å; I101-Y112 HydrophobicContact CD1-CE2 4.3Å; D108-Y112 WeakPolarHBondContact O-CE2 3.47Å; D108-Y112 PolarHBondContact O-OH 2.55Å; A110-Y112 HydrophobicContact CB-CD2 4.3Å; A110-Y112 HydrophobicContact CB-CE2 3.8Å; A110-Y112 WeakPolarHBondContact O-CD2 3.45Å; Y112-G127 CarbonylContact O-C 3.5Å; Y112-G127 VanDerWaalsContact O-CA 3.26Å; Y112-G127 WeakPolarHBondContact O-CA 3.21Å; Y112-M128 PolarHBondContact N-O 3.09Å; Y112-M128 PolarHBondContact O-N 3.27Å; Y112-L130 HydrophobicContact CD2-CB 4.1Å; Y112-L130 HydrophobicContact CE2-CB 4.01Å; Y112-L130 HydrophobicContact CE2-CD2 4Å |
| 113 | F | 95.2 | Very high | 91 | Very high | 38 Ų | 38 | 55.8 Ų | 55.8 | 17% | 0.167 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 134.6 | 177.6 | -62.2 | -84.6 | 0 | 0 | 0 | 110.7 | I30 W57 Y58 Q60 L66 T111 F124 | I30-F113 HydrophobicContact CD1-CE1 3.77Å; I30-F113 HydrophobicContact CD1-CZ 3.94Å; W57-F113 WeakPolarHBondContact CA-O 2.99Å; Y58-F113 PolarHBondContact N-O 3.41Å; Y58-F113 PolarHBondContact O-N 2.89Å; Q60-F113 HydrophobicContact CB-CE2 4.14Å; L66-F113 HydrophobicContact CD1-CD2 4.22Å; T111-F113 HydrophobicContact CG2-CD2 4.27Å; T111-F113 HydrophobicContact CG2-CE1 4.05Å; T111-F113 HydrophobicContact CG2-CE2 3.55Å; T111-F113 HydrophobicContact CG2-CZ 3.43Å; T111-F113 VanDerWaalsContact CG2-CZ 3.43Å; F113-F124 HydrophobicContact CB-CD1 3.96Å; F113-F124 HydrophobicContact CB-CE1 4.02Å; F113-F124 HydrophobicContact CD1-CD1 4.44Å; F113-F124 HydrophobicContact CG-CD1 4.49Å |
| 114 | C | 92.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 124.3 | 166.3 | -175.4 | 0 | 0 | 0 | 0 | 109.6 | C45 Y56 W57 F124 A125 A126 | C45-C114 HydrophobicContact CB-CB 3.54Å; C45-C114 WeakPolarHBondContact CB-SG 3.47Å; C45-C114 WeakPolarHBondContact SG-CB 3.4Å; C45-C114 CovalentContact SG-SG 2.02Å; C45-C114 PolarHBondContact SG-SG 3.49Å; Y56-C114 WeakPolarHBondContact O-CA 3.27Å; W57-C114 HydrophobicContact CD2-CB 4.1Å; W57-C114 HydrophobicContact CE3-CB 4.07Å; W57-C114 HydrophobicContact CH2-CB 3.81Å; W57-C114 HydrophobicContact CZ2-CB 3.83Å; W57-C114 HydrophobicContact CZ3-CB 3.92Å; C114-F124 CarbonylContact O-C 3.53Å; C114-F124 WeakPolarHBondContact O-CA 3.48Å; C114-A125 PolarHBondContact O-N 3.22Å; C114-A126 HydrophobicContact CB-CB 4.24Å; C114-A126 PolarHBondContact N-O 2.81Å; C114-A126 PolarHBondContact O-N 2.81Å |
| 115 | Q | 91.9 | Very high | 90.6 | Very high | 33 Ų | 33 | 57.7 Ų | 57.7 | 15% | 0.154 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 146.6 | 172.7 | -164.2 | -173.6 | 27.8 | 0 | 0 | 109.5 | F55 Y56 Y58 Q122 R123 F124 | F55-Q115 CarbonylContact C-O 3.57Å; F55-Q115 WeakPolarHBondContact CA-O 3.18Å; F55-Q115 WeakPolarHBondContact CB-O 3.37Å; Y56-Q115 PolarHBondContact N-O 3.16Å; Y56-Q115 PolarHBondContact O-N 2.83Å; Y58-Q115 HydrophobicContact CE2-CB 4.04Å; Y58-Q115 PolarHBondContact OH-OE1 2.95Å; Q115-Q122 HydrophobicContact CG-CB 4.36Å; Q115-R123 WeakPolarHBondContact CA-O 3.41Å; Q115-R123 WeakPolarHBondContact CG-O 3.38Å; Q115-F124 HydrophobicContact CB-CD1 3.9Å; Q115-F124 HydrophobicContact CB-CE1 3.96Å; Q115-F124 HydrophobicContact CG-CD1 4.14Å; Q115-F124 HydrophobicContact CG-CE1 4.17Å |
| 116 | G | 90.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.4 | 168.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | F54 R123 | F54-G116 VanDerWaalsContact O-CA 3.27Å; F54-G116 WeakPolarHBondContact O-CA 3.28Å; G116-R123 PolarHBondContact N-O 2.84Å; G116-R123 PolarHBondContact O-N 3.31Å |
| 117 | G | 88.6 | Confident | 90.7 | Very high | 7 Ų | 7 | 53.5 Ų | 53.5 | 7% | 0.072 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153 | -150.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E51 K53 F54 F121 Q122 | E51-G117 CarbonylContact O-C 3.56Å; E51-G117 VanDerWaalsContact O-C 3.23Å; E51-G117 WeakPolarHBondContact O-CA 3.38Å; K53-G117 PolarHBondContact N-O 2.88Å; F54-G117 PolarHBondContact N-O 2.04Å; F54-G117 PolarHBondContact O-N 2.83Å; G117-F121 CarbonylContact C-O 3.53Å; G117-F121 WeakPolarHBondContact CA-O 3.42Å; G117-Q122 PolarHBondContact O-NE2 3.03Å |
| 118 | T | 86.2 | Confident | 90.9 | Very high | 44 Ų | 44 | 48 Ų | 48 | 27% | 0.27 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 170.5 | 176.1 | 74.5 | 0 | 0 | 0 | 0 | 111.7 | K53 Y120 F121 Q122 | K53-T118 HydrophobicContact CD-CG2 4.2Å; K53-T118 HydrophobicContact CG-CG2 4.47Å; T118-Y120 PolarHBondContact O-N 3.27Å; T118-Y120 VanDerWaalsContact O-N 3.09Å; T118-Y120 PolarHBondContact OG1-N 3.41Å; T118-F121 PolarHBondContact N-O 2.92Å; T118-F121 CarbonylContact O-C 3.54Å; T118-F121 PolarHBondContact O-N 3.02Å; T118-F121 PolarHBondContact OG1-N 2.76Å; T118-Q122 PolarHBondContact O-NE2 3.1Å |
| 119 | A | 83.1 | Confident | 90.9 | Very high | 70 Ų | 70 | 50.5 Ų | 50.5 | 58% | 0.579 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -23.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | F54 | F54-A119 HydrophobicContact CE2-CB 4.06Š|
| 120 | Y | 86.3 | Confident | 90.9 | Very high | 228 Ų | 228 | 48.3 Ų | 48.3 | 89% | 0.894 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | -12.1 | -177 | -52.7 | -68.3 | 0 | 0 | 0 | 113.8 | T118 | T118-Y120 PolarHBondContact O-N 3.27Å; T118-Y120 VanDerWaalsContact O-N 3.09Å; T118-Y120 PolarHBondContact OG1-N 3.41Å |
| 121 | F | 85.9 | Confident | 90.7 | Very high | 143 Ų | 143 | 49.1 Ų | 49.1 | 63% | 0.627 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 109.3 | -178.2 | -173.6 | -96.6 | 0 | 0 | 0 | 109.7 | G117 T118 R123 | G117-F121 CarbonylContact C-O 3.53Å; G117-F121 WeakPolarHBondContact CA-O 3.42Å; T118-F121 PolarHBondContact N-O 2.92Å; T118-F121 CarbonylContact O-C 3.54Å; T118-F121 PolarHBondContact O-N 3.02Å; T118-F121 PolarHBondContact OG1-N 2.76Å; F121-R123 HydrophobicContact CE1-CB 4.43Å |
| 122 | Q | 87.2 | Confident | 90.4 | Very high | 60 Ų | 60 | 48.3 Ų | 48.3 | 28% | 0.28 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 137 | 176.5 | -70.9 | -68.9 | -40.9 | 0 | 0 | 108.8 | Q115 G117 T118 | Q115-Q122 HydrophobicContact CG-CB 4.36Å; G117-Q122 PolarHBondContact O-NE2 3.03Å; T118-Q122 PolarHBondContact O-NE2 3.1Å |
| 123 | R | 88.8 | Confident | 89.8 | Confident | 88 Ų | 88 | 51.6 Ų | 51.6 | 33% | 0.332 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 148.9 | 173.5 | 65.3 | 178.7 | -177.3 | 84 | -1.2 | 110.8 | E51 Q115 G116 F121 A125 | E51-R123 IonicContact OE1-CZ 2.62Å; E51-R123 IonicContact OE1-NE 3.79Å; E51-R123 IonicContact OE1-NH2 2.63Å; E51-R123 PolarHBondContact OE1-NH2 3.45Å; E51-R123 IonicContact OE2-NH2 2.66Å; Q115-R123 WeakPolarHBondContact CA-O 3.41Å; Q115-R123 WeakPolarHBondContact CG-O 3.38Å; G116-R123 PolarHBondContact N-O 2.84Å; G116-R123 PolarHBondContact O-N 3.31Å; F121-R123 HydrophobicContact CE1-CB 4.43Å; R123-A125 PolarHBondContact O-N 3.38Å |
| 124 | F | 90.7 | Very high | 88.9 | Confident | 119 Ų | 119 | 52.4 Ų | 52.4 | 52% | 0.522 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 127.7 | 161.7 | -67.7 | -75.3 | 0 | 0 | 0 | 108.1 | Y58 F113 C114 Q115 | Y58-F124 HydrophobicContact CD2-CE1 4.29Å; Y58-F124 HydrophobicContact CE2-CE1 4.49Å; F113-F124 HydrophobicContact CB-CD1 3.96Å; F113-F124 HydrophobicContact CB-CE1 4.02Å; F113-F124 HydrophobicContact CD1-CD1 4.44Å; F113-F124 HydrophobicContact CG-CD1 4.49Å; C114-F124 CarbonylContact O-C 3.53Å; C114-F124 WeakPolarHBondContact O-CA 3.48Å; Q115-F124 HydrophobicContact CB-CD1 3.9Å; Q115-F124 HydrophobicContact CB-CE1 3.96Å; Q115-F124 HydrophobicContact CG-CD1 4.14Å; Q115-F124 HydrophobicContact CG-CE1 4.17Å |
| 125 | A | 89.4 | Confident | 87.5 | Confident | 20 Ų | 20 | 58.4 Ų | 58.4 | 17% | 0.165 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | -25.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L47 C114 R123 | L47-A125 HydrophobicContact CD1-CB 4.39Å; L47-A125 HydrophobicContact CD2-CB 3.65Å; L47-A125 HydrophobicContact CG-CB 3.76Å; C114-A125 PolarHBondContact O-N 3.22Å; R123-A125 PolarHBondContact O-N 3.38Å |
| 126 | A | 90.8 | Very high | 85.8 | Confident | 27 Ų | 27 | 63.8 Ų | 63.8 | 22% | 0.223 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 152.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | C114 | C114-A126 HydrophobicContact CB-CB 4.24Å; C114-A126 PolarHBondContact N-O 2.81Å; C114-A126 PolarHBondContact O-N 2.81Å |
| 127 | G | 92.4 | Very high | 83.8 | Confident | 22 Ų | 22 | 65.8 Ų | 65.8 | 23% | 0.227 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 147.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | P31 Y112 | P31-G127 VanDerWaalsContact CD-O 3.28Å; P31-G127 WeakPolarHBondContact CD-O 3.49Å; Y112-G127 CarbonylContact O-C 3.5Å; Y112-G127 VanDerWaalsContact O-CA 3.26Å; Y112-G127 WeakPolarHBondContact O-CA 3.21Å |
| 128 | M | 93.6 | Very high | 82 | Confident | 41 Ų | 41 | 70.9 Ų | 70.9 | 20% | 0.202 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 134.9 | 176.9 | -179.5 | 63.9 | 81 | 0 | 0 | 109 | P31 E33 L43 T111 Y112 | P31-M128 VanDerWaalsContact C-SD 3.57Å; P31-M128 HydrophobicContact CB-CE 4.04Å; P31-M128 HydrophobicContact CB-SD 3.78Å; E33-M128 HydrophobicContact CB-CE 4.26Å; E33-M128 HydrophobicContact CB-CG 4.17Å; E33-M128 HydrophobicContact CB-SD 3.71Å; L43-M128 HydrophobicContact CD2-CB 4.05Å; L43-M128 HydrophobicContact CD2-CG 3.76Å; T111-M128 CarbonylContact C-O 3.55Å; T111-M128 WeakPolarHBondContact CA-O 3.44Å; Y112-M128 PolarHBondContact N-O 3.09Å; Y112-M128 PolarHBondContact O-N 3.27Å |
| 129 | Y | 93.8 | Very high | 80.4 | Confident | 56 Ų | 56 | 71.6 Ų | 71.6 | 22% | 0.22 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 113.9 | 168.4 | 178.1 | -109 | 0 | 0 | 0 | 109.5 | P31 L32 E33 L62 A131 | P31-Y129 PolarHBondContact O-N 2.87Å; L32-Y129 WeakPolarHBondContact CA-O 3.49Å; L32-Y129 HydrophobicContact CD1-CD1 3.61Å; L32-Y129 HydrophobicContact CD1-CE1 4.04Å; E33-Y129 PolarHBondContact N-O 2.86Å; L62-Y129 HydrophobicContact CD1-CE2 4.41Å; L62-Y129 HydrophobicContact CG-CE2 4.49Å; Y129-A131 HydrophobicContact CE1-CB 4.03Å |
| 130 | L | 94.6 | Very high | 78.9 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 112.3 | 176.5 | 172.8 | 55.3 | 0 | 0 | 0 | 109.1 | V35 I41 I101 E109 A110 Y112 V132 | V35-L130 HydrophobicContact CB-CD1 4.21Å; V35-L130 HydrophobicContact CG2-CD1 3.8Å; I41-L130 HydrophobicContact CD1-CD1 3.71Å; I41-L130 HydrophobicContact CG2-CD2 4.23Å; I101-L130 HydrophobicContact CD1-CD2 4.31Å; E109-L130 WeakPolarHBondContact CA-O 3.44Å; A110-L130 PolarHBondContact N-O 3.47Å; A110-L130 PolarHBondContact O-N 3.3Å; Y112-L130 HydrophobicContact CD2-CB 4.1Å; Y112-L130 HydrophobicContact CE2-CB 4.01Å; Y112-L130 HydrophobicContact CE2-CD2 4Å; L130-V132 HydrophobicContact CG-CG2 4.24Å |
| 131 | A | 91.1 | Very high | 77.8 | Confident | 16 Ų | 16 | 65.1 Ų | 65.1 | 13% | 0.132 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 135.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | L32 E33 V34 V35 E109 Y129 | L32-A131 HydrophobicContact CD1-CB 3.7Å; E33-A131 PolarHBondContact O-N 2.62Å; V34-A131 WeakPolarHBondContact CA-O 3.33Å; V34-A131 HydrophobicContact CG2-CB 4.3Å; V35-A131 PolarHBondContact N-O 2.81Å; E109-A131 WeakPolarHBondContact OE2-CA 3.46Å; Y129-A131 HydrophobicContact CE1-CB 4.03Å |
| 132 | V | 89.8 | Confident | 77.2 | Confident | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.018 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 114.3 | -177.8 | -177.1 | 0 | 0 | 0 | 0 | 110 | V35 V37 I104 K106 E109 L130 | V35-V132 CarbonylContact O-C 3.53Å; V35-V132 WeakPolarHBondContact O-CA 3.05Å; V37-V132 HydrophobicContact CG2-CG1 3.69Å; I104-V132 HydrophobicContact CG2-CB 4.28Å; I104-V132 HydrophobicContact CG2-CG1 3.78Å; I104-V132 HydrophobicContact CG2-CG2 3.46Å; I104-V132 VanDerWaalsContact CG2-CG2 3.46Å; K106-V132 HydrophobicContact CD-CB 4.04Å; K106-V132 HydrophobicContact CD-CG1 4.44Å; K106-V132 PolarHBondContact NZ-O 2.88Å; E109-V132 HydrophobicContact CB-CB 4.39Å; E109-V132 HydrophobicContact CB-CG2 4.05Å; E109-V132 PolarHBondContact OE2-N 2.85Å; L130-V132 HydrophobicContact CG-CG2 4.24Å |
| 133 | N | 82.9 | Confident | 77 | Confident | 68 Ų | 68 | 59.5 Ų | 59.5 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 125.2 | 178.1 | -168.8 | 32.3 | 0 | 0 | 0 | 111 | V34 V35 E36 V37 H135 | V34-N133 HydrophobicContact CG1-CB 4.3Å; V35-N133 PolarHBondContact O-N 3.47Å; E36-N133 WeakPolarHBondContact CA-O 3.06Å; V37-N133 PolarHBondContact N-O 2.87Å; N133-H135 PolarHBondContact ND2-CE1 2.86Å; N133-H135 PolarHBondContact ND2-NE2 2.81Å |
| 134 | D | 77.5 | Confident | 76.8 | Confident | 56 Ų | 56 | 60.1 Ų | 60.1 | 30% | 0.299 | 33% | 0.325 | S | S | . | . | trans | -117.2 | 91.6 | -179.2 | 178.9 | 15 | 0 | 0 | 0 | 110.3 | V37 N136 S137 | V37-D134 HydrophobicContact CG2-CB 3.76Å; D134-N136 PolarHBondContact O-N 2.88Å; D134-N136 WeakPolarHBondContact OD1-CB 3.4Å; D134-N136 PolarHBondContact OD1-N 2.87Å; D134-S137 WeakPolarHBondContact O-CB 3.42Å; D134-S137 PolarHBondContact O-N 2.68Å; D134-S137 VanDerWaalsContact O-N 3.14Å; D134-S137 PolarHBondContact OD1-N 2.84Å | ||
| 135 | H | 64 | Low | 76.7 | Confident | 125 Ų | 125 | 54.5 Ų | 54.5 | 58% | 0.579 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -17.9 | 176.4 | -65.2 | -71.3 | 0 | 0 | 0 | 113.5 | E36 N133 S137 | E36-H135 IonicContact OE1-CD2 2.68Å; E36-H135 IonicContact OE1-CE1 3.81Å; E36-H135 IonicContact OE1-NE2 2.73Å; E36-H135 PolarHBondContact OE1-NE2 2.96Å; N133-H135 PolarHBondContact ND2-CE1 2.86Å; N133-H135 PolarHBondContact ND2-NE2 2.81Å; H135-S137 VanDerWaalsContact C-N 3.33Å |
| 136 | N | 55 | Low | 76.6 | Confident | 146 Ų | 146 | 56 Ų | 56 | 78% | 0.781 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -2.4 | 177.6 | -70.1 | -37.6 | 0 | 0 | 0 | 112.8 | D134 P138 | D134-N136 PolarHBondContact O-N 2.88Å; D134-N136 WeakPolarHBondContact OD1-CB 3.4Å; D134-N136 PolarHBondContact OD1-N 2.87Å; N136-P138 VanDerWaalsContact O-CD 3.31Å; N136-P138 WeakPolarHBondContact O-CD 3.1Å |
| 137 | S | 49.4 | Very low | 76.5 | Confident | 42 Ų | 42 | 56.9 Ų | 56.9 | 29% | 0.294 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -69.3 | 116.2 | 167.6 | -153 | 0 | 0 | 0 | 0 | 108.9 | D134 H135 T139 K236 | D134-S137 WeakPolarHBondContact O-CB 3.42Å; D134-S137 PolarHBondContact O-N 2.68Å; D134-S137 VanDerWaalsContact O-N 3.14Å; D134-S137 PolarHBondContact OD1-N 2.84Å; H135-S137 VanDerWaalsContact C-N 3.33Å; S137-T139 PolarHBondContact O-N 2.8Å; S137-K236 PolarHBondContact OG-NZ 2.92Å |
| 138 | P | 48.9 | Very low | 76.2 | Confident | 114 Ų | 114 | 62.5 Ų | 62.5 | 74% | 0.74 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -79 | 38.1 | -166.5 | 33 | -38 | 0 | 0 | 0 | 113.9 | N136 | N136-P138 VanDerWaalsContact O-CD 3.31Å; N136-P138 WeakPolarHBondContact O-CD 3.1Å |
| 139 | T | 52.6 | Low | 75.9 | Confident | 59 Ų | 59 | 64.3 Ų | 64.3 | 36% | 0.362 | 35% | 0.345 | S | S | . | . | trans | -138.3 | 76.9 | -178.9 | 30 | 0 | 0 | 0 | 0 | 109.1 | S137 T141 K236 | S137-T139 PolarHBondContact O-N 2.8Å; T139-T141 PolarHBondContact O-N 2.85Å; T139-K236 PolarHBondContact OG1-NZ 2.03Å | ||
| 140 | L | 52.4 | Low | 75.6 | Confident | 140 Ų | 140 | 63.5 Ų | 63.5 | 73% | 0.733 | 35% | 0.346 | S | S | * | . | trans | -70 | 73.8 | 158 | -169.4 | 79.9 | 0 | 0 | 0 | 107.9 | ||||
| 141 | T | 63.6 | Low | 75.3 | Confident | 22 Ų | 22 | 67.3 Ų | 67.3 | 14% | 0.135 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 97 | 174.1 | -48.5 | 0 | 0 | 0 | 0 | 106.3 | T139 L164 L165 L238 | T139-T141 PolarHBondContact O-N 2.85Å; T141-L164 HydrophobicContact CG2-CD1 3.53Å; T141-L164 HydrophobicContact CG2-CD2 4.46Å; T141-L164 HydrophobicContact CG2-CG 3.95Å; T141-L165 WeakPolarHBondContact CA-O 3.47Å; T141-L238 HydrophobicContact CG2-CD1 3.57Å; T141-L238 WeakPolarHBondContact O-CD1 3.26Å |
| 142 | H | 73 | Confident | 75 | Confident | 85 Ų | 85 | 66.9 Ų | 66.9 | 39% | 0.394 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 147.2 | -177.7 | -172.9 | -104.3 | 0 | 0 | 0 | 110.7 | L165 E241 | H142-L165 PolarHBondContact N-O 2.88Å; H142-L165 PolarHBondContact O-N 3.17Å; H142-E241 IonicContact CE1-OE1 2.71Å |
| 143 | V | 83.1 | Confident | 74.9 | Confident | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.006 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 106.2 | 177 | 174.6 | 0 | 0 | 0 | 0 | 108.7 | C162 L164 V231 L238 G240 | V143-C162 WeakPolarHBondContact CG1-SG 3.49Å; V143-L164 HydrophobicContact CG2-CD1 3.7Å; V143-V231 HydrophobicContact CG1-CG2 4.1Å; V143-V231 HydrophobicContact CG2-CB 4.09Å; V143-V231 HydrophobicContact CG2-CG2 3.71Å; V143-L238 HydrophobicContact CG2-CB 3.55Å; V143-L238 HydrophobicContact CG2-CD1 4.39Å; V143-G240 WeakPolarHBondContact O-CA 3.39Å |
| 144 | K | 84.9 | Confident | 74.9 | Confident | 100 Ų | 100 | 74 Ų | 74 | 44% | 0.435 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 129.2 | 174 | -175 | 170.8 | -175.6 | 170.8 | 0 | 109.8 | S163 L165 | K144-S163 PolarHBondContact N-O 2.91Å; K144-S163 PolarHBondContact O-N 2.88Å; K144-L165 HydrophobicContact CB-CD1 4.48Å |
| 145 | Q | 88.1 | Confident | 75.1 | Confident | 2 Ų | 2 | 73.7 Ų | 73.7 | 1% | 0.009 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 146.5 | 170.4 | -82.6 | -172.3 | -115.9 | 0 | 0 | 111.5 | R161 C162 Y227 C229 G240 G242 | Q145-R161 WeakPolarHBondContact CA-O 3.32Å; Q145-C162 HydrophobicContact CG-CB 4.44Å; Q145-Y227 PolarHBondContact NE2-O 3.37Å; Q145-C229 HydrophobicContact CG-CB 3.95Å; Q145-G240 VanDerWaalsContact OE1-C 3.25Å; Q145-G240 VanDerWaalsContact OE1-CA 3.3Å; Q145-G240 PolarHBondContact OE1-O 3Å; Q145-G242 VanDerWaalsContact OE1-N 3.15Å |
| 146 | T | 86.6 | Confident | 76.1 | Confident | 50 Ų | 50 | 71.2 Ų | 71.2 | 31% | 0.307 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 144.1 | 173.5 | 48.8 | 0 | 0 | 0 | 0 | 111.3 | R161 | T146-R161 PolarHBondContact N-O 3.25Å; T146-R161 PolarHBondContact O-N 2.92Å |
| 147 | P | 88.9 | Confident | 77.7 | Confident | 46 Ų | 46 | 67.7 Ų | 67.7 | 30% | 0.299 | 39% | 0.388 | S | S | . | . | cis | -69.2 | 166.8 | -9.8 | 32 | -35.4 | 0 | 0 | 0 | 112 | T150 T243 | P147-T150 HydrophobicContact CG-CG2 4.26Å; P147-T243 HydrophobicContact CG-CG2 3.98Å; P147-T243 VanDerWaalsContact O-CB 3.25Å; P147-T243 WeakPolarHBondContact O-CB 3.03Å; P147-T243 WeakPolarHBondContact O-CG2 3.43Å; P147-T243 PolarHBondContact O-OG1 3.45Å | ||
| 148 | E | 86.6 | Confident | 79.6 | Confident | 141 Ų | 141 | 66.1 Ų | 66.1 | 66% | 0.659 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -74.5 | -40.3 | 172.8 | -69.9 | 167.1 | -153.8 | 0 | 0 | 111.2 | K244 | E148-K244 PolarHBondContact O-N 3.06Š|
| 149 | T | 86.2 | Confident | 81.5 | Confident | 79 Ų | 79 | 64.7 Ų | 64.7 | 49% | 0.485 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 144.6 | 175.7 | -63.7 | 0 | 0 | 0 | 0 | 110 | K244 | T149-K244 CarbonylContact C-O 3.57Å; T149-K244 VanDerWaalsContact CA-O 3.29Å; T149-K244 WeakPolarHBondContact CA-O 3.46Å; T149-K244 HydrophobicContact CG2-CB 4.19Å; T149-K244 HydrophobicContact CG2-CD 4.31Å |
| 150 | T | 89.1 | Confident | 83.3 | Confident | 39 Ų | 39 | 62 Ų | 62 | 24% | 0.239 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 145.3 | 174.6 | -172.5 | 0 | 0 | 0 | 0 | 110.6 | P147 V158 T243 K244 V245 E246 | P147-T150 HydrophobicContact CG-CG2 4.26Å; T150-V158 HydrophobicContact CG2-CG1 3.98Å; T150-V158 HydrophobicContact CG2-CG2 4.28Å; T150-T243 HydrophobicContact CG2-CG2 4.4Å; T150-K244 PolarHBondContact N-O 3.45Å; T150-V245 HydrophobicContact CG2-CB 4.39Å; T150-V245 HydrophobicContact CG2-CG1 4.41Å; T150-V245 HydrophobicContact CG2-CG2 3.84Å; T150-V245 WeakPolarHBondContact O-CA 3.31Å; T150-E246 PolarHBondContact O-N 2.96Å |
| 151 | S | 86.8 | Confident | 85 | Confident | 79 Ų | 79 | 60.8 Ų | 60.8 | 55% | 0.552 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114 | 137.1 | 177.4 | 57.8 | 0 | 0 | 0 | 0 | 110.5 | E246 | S151-E246 VanDerWaalsContact CA-O 3.3Å; S151-E246 WeakPolarHBondContact CA-O 3.29Å |
| 152 | V | 86.7 | Confident | 86.2 | Confident | 8 Ų | 8 | 59.7 Ų | 59.7 | 5% | 0.048 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 163.6 | -168.5 | -75.4 | 0 | 0 | 0 | 0 | 113 | D156 V158 I218 V245 E246 M247 S248 | V152-D156 HydrophobicContact CB-CB 3.98Å; V152-D156 HydrophobicContact CG1-CB 4.02Å; V152-V158 HydrophobicContact CG1-CG2 3.6Å; V152-I218 HydrophobicContact CG2-CB 4.5Å; V152-I218 HydrophobicContact CG2-CG1 4.18Å; V152-I218 HydrophobicContact CG2-CG2 4.18Å; V152-V245 HydrophobicContact CG2-CG1 3.63Å; V152-E246 WeakPolarHBondContact CG2-O 3.41Å; V152-E246 PolarHBondContact N-O 3.4Å; V152-M247 HydrophobicContact CG2-SD 4.32Å; V152-S248 PolarHBondContact O-N 3.32Å; V152-S248 PolarHBondContact O-OG 2.96Å |
| 153 | Q | 86.3 | Confident | 86.8 | Confident | 110 Ų | 110 | 56.5 Ų | 56.5 | 51% | 0.514 | 31% | 0.312 | S | S | . | . | trans | -109.5 | 166.6 | 171.3 | -64.3 | -174 | 1.2 | 0 | 0 | 111.3 | G155 D156 S248 | Q153-G155 PolarHBondContact O-N 2.92Å; Q153-D156 PolarHBondContact N-OD2 3.04Å; Q153-D156 WeakPolarHBondContact O-CB 3.07Å; Q153-D156 PolarHBondContact O-N 2.96Å; Q153-D156 VanDerWaalsContact O-N 3.12Å; Q153-S248 WeakPolarHBondContact CG-OG 3.22Å | ||
| 154 | D | 83 | Confident | 86.7 | Confident | 109 Ų | 109 | 57 Ų | 57 | 58% | 0.583 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 122.8 | 173.8 | -69.6 | -29.7 | 0 | 0 | 0 | 109.8 | T220 M247 | D154-T220 VanDerWaalsContact OD1-CA 3.24Å; D154-T220 WeakPolarHBondContact OD1-CA 3.42Å; D154-M247 WeakPolarHBondContact OD1-CE 3.46Å |
| 155 | G | 81.5 | Confident | 86.1 | Confident | 51 Ų | 51 | 56.1 Ų | 56.1 | 53% | 0.526 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.2 | -16.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q153 I218 | Q153-G155 PolarHBondContact O-N 2.92Å; G155-I218 PolarHBondContact N-O 3.32Å |
| 156 | D | 86.1 | Confident | 85.1 | Confident | 73 Ų | 73 | 57.3 Ų | 57.3 | 39% | 0.39 | 32% | 0.323 | S | S | . | . | trans | -66.9 | 150.8 | 179.6 | -78.2 | -22.7 | 0 | 0 | 0 | 112.3 | V152 Q153 T217 I218 | V152-D156 HydrophobicContact CB-CB 3.98Å; V152-D156 HydrophobicContact CG1-CB 4.02Å; Q153-D156 PolarHBondContact N-OD2 3.04Å; Q153-D156 WeakPolarHBondContact O-CB 3.07Å; Q153-D156 PolarHBondContact O-N 2.96Å; Q153-D156 VanDerWaalsContact O-N 3.12Å; D156-T217 CarbonylContact O-C 3.54Å; D156-T217 WeakPolarHBondContact O-CA 3.25Å; D156-I218 PolarHBondContact O-N 2.94Å | ||
| 157 | T | 88.1 | Confident | 83.3 | Confident | 71 Ų | 71 | 59.6 Ų | 59.6 | 44% | 0.436 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 110.4 | 175.6 | -62.1 | 0 | 0 | 0 | 0 | 111.1 | T217 | T157-T217 PolarHBondContact OG1-OG1 2.93Å |
| 158 | V | 89 | Confident | 81.5 | Confident | 9 Ų | 9 | 60.8 Ų | 60.8 | 6% | 0.055 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 132.7 | 175.3 | -177 | 0 | 0 | 0 | 0 | 109.5 | T150 V152 L160 S215 K216 I218 V245 | T150-V158 HydrophobicContact CG2-CG1 3.98Å; T150-V158 HydrophobicContact CG2-CG2 4.28Å; V152-V158 HydrophobicContact CG1-CG2 3.6Å; V158-L160 HydrophobicContact CG1-CD2 3.53Å; V158-L160 HydrophobicContact CG1-CG 3.89Å; V158-S215 CarbonylContact O-C 3.42Å; V158-S215 WeakPolarHBondContact O-CA 3.39Å; V158-K216 PolarHBondContact N-O 2.81Å; V158-K216 PolarHBondContact O-N 2.84Å; V158-I218 HydrophobicContact CG2-CD1 4.32Å; V158-I218 HydrophobicContact CG2-CG1 3.91Å; V158-V245 HydrophobicContact CG1-CG2 4.41Å; V158-V245 HydrophobicContact CG2-CG1 4.1Å; V158-V245 HydrophobicContact CG2-CG2 4.46Å |
| 159 | N | 89.6 | Confident | 79.4 | Confident | 85 Ų | 85 | 57.6 Ų | 57.6 | 46% | 0.455 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 105.8 | 168.2 | -74.4 | -61.7 | 0 | 0 | 0 | 109.3 | Q213 S215 | N159-Q213 PolarHBondContact OD1-NE2 2.87Å; N159-Q213 VanDerWaalsContact OD1-NE2 3.17Å; N159-S215 WeakPolarHBondContact OD1-CB 3.32Å; N159-S215 PolarHBondContact OD1-OG 2.87Å |
| 160 | L | 89.3 | Confident | 77.7 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 131 | 176.2 | -56.9 | 172.1 | 0 | 0 | 0 | 109 | V158 W183 Q213 L214 Y227 T243 | V158-L160 HydrophobicContact CG1-CD2 3.53Å; V158-L160 HydrophobicContact CG1-CG 3.89Å; L160-W183 HydrophobicContact CB-CE3 4.37Å; L160-W183 HydrophobicContact CB-CH2 3.57Å; L160-W183 HydrophobicContact CB-CZ2 4.31Å; L160-W183 HydrophobicContact CB-CZ3 3.61Å; L160-W183 HydrophobicContact CD1-CE3 4.15Å; L160-W183 HydrophobicContact CD1-CZ3 4.03Å; L160-W183 HydrophobicContact CG-CZ3 4.4Å; L160-Q213 WeakPolarHBondContact O-CA 3.4Å; L160-L214 HydrophobicContact CB-CB 4.37Å; L160-L214 HydrophobicContact CD1-CD2 4Å; L160-L214 HydrophobicContact CD1-CG 4.34Å; L160-L214 PolarHBondContact N-O 3.26Å; L160-L214 PolarHBondContact O-N 3.28Å; L160-Y227 HydrophobicContact CD1-CD1 3.65Å; L160-Y227 HydrophobicContact CD1-CE1 4.45Å; L160-Y227 HydrophobicContact CD1-CG 3.67Å; L160-T243 HydrophobicContact CD2-CG2 3.43Å; L160-T243 VanDerWaalsContact CD2-CG2 3.43Å |
| 161 | R | 89.4 | Confident | 75.5 | Confident | 115 Ų | 115 | 62.7 Ų | 62.7 | 43% | 0.434 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 137.9 | 175 | -176.1 | -176.3 | -60.7 | -175.8 | 4.4 | 110.6 | Q145 T146 D211 Y212 | Q145-R161 WeakPolarHBondContact CA-O 3.32Å; T146-R161 PolarHBondContact N-O 3.25Å; T146-R161 PolarHBondContact O-N 2.92Å; R161-D211 IonicContact NH1-OD2 3.87Å; R161-Y212 WeakPolarHBondContact CA-O 2.99Å |
| 162 | C | 87.5 | Confident | 73.6 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 119.1 | 177.5 | 175.4 | 0 | 0 | 0 | 0 | 108 | V143 Q145 W183 Y212 C229 | V143-C162 WeakPolarHBondContact CG1-SG 3.49Å; Q145-C162 HydrophobicContact CG-CB 4.44Å; C162-W183 HydrophobicContact CB-CH2 3.56Å; C162-W183 HydrophobicContact CB-CZ2 3.45Å; C162-W183 VanDerWaalsContact CB-CZ2 3.45Å; C162-Y212 PolarHBondContact N-O 2.82Å; C162-Y212 WeakPolarHBondContact O-CD2 3.02Å; C162-Y212 PolarHBondContact O-N 2.94Å; C162-C229 HydrophobicContact CB-CB 3.58Å; C162-C229 WeakPolarHBondContact CB-SG 3.46Å; C162-C229 WeakPolarHBondContact SG-CB 3.18Å; C162-C229 CovalentContact SG-SG 2.03Å; C162-C229 PolarHBondContact SG-SG 3.23Å |
| 163 | S | 85.6 | Confident | 71.8 | Confident | 18 Ų | 18 | 68.2 Ų | 68.2 | 13% | 0.126 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 115.9 | -173.4 | -60.9 | 0 | 0 | 0 | 0 | 109.7 | K144 C210 D211 | K144-S163 PolarHBondContact N-O 2.91Å; K144-S163 PolarHBondContact O-N 2.88Å; S163-C210 WeakPolarHBondContact CA-O 3.37Å; S163-D211 WeakPolarHBondContact CB-OD1 3.14Å; S163-D211 PolarHBondContact OG-OD1 3.12Å |
| 164 | L | 81.4 | Confident | 70 | Confident | 10 Ų | 10 | 71.1 Ų | 71.1 | 5% | 0.052 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 113.6 | 174.7 | -174.2 | 74.5 | 0 | 0 | 0 | 109.3 | T141 V143 N179 S209 C210 Y212 V231 L238 | T141-L164 HydrophobicContact CG2-CD1 3.53Å; T141-L164 HydrophobicContact CG2-CD2 4.46Å; T141-L164 HydrophobicContact CG2-CG 3.95Å; V143-L164 HydrophobicContact CG2-CD1 3.7Å; L164-N179 WeakPolarHBondContact CD2-ND2 3.36Å; L164-S209 WeakPolarHBondContact O-CA 3.31Å; L164-C210 HydrophobicContact CB-CB 4.25Å; L164-C210 PolarHBondContact N-O 2.89Å; L164-C210 PolarHBondContact O-N 2.68Å; L164-Y212 HydrophobicContact CB-CE2 4.21Å; L164-V231 HydrophobicContact CD1-CB 4.27Å; L164-V231 HydrophobicContact CD1-CG1 3.99Å; L164-V231 HydrophobicContact CD1-CG2 4.49Å; L164-V231 HydrophobicContact CD2-CG1 4.15Å; L164-L238 HydrophobicContact CD1-CD1 3.72Å |
| 165 | L | 71.9 | Confident | 68.6 | Low | 83 Ų | 83 | 68.1 Ų | 68.1 | 44% | 0.435 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 116.3 | 178.9 | -63.9 | 171.6 | 0 | 0 | 0 | 109.7 | T141 H142 K144 | T141-L165 WeakPolarHBondContact CA-O 3.47Å; H142-L165 PolarHBondContact N-O 2.88Å; H142-L165 PolarHBondContact O-N 3.17Å; K144-L165 HydrophobicContact CB-CD1 4.48Å |
| 166 | S | 66.6 | Low | 67.2 | Low | 27 Ų | 27 | 72 Ų | 72 | 19% | 0.189 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 121 | 173.6 | -172.5 | 0 | 0 | 0 | 0 | 111.5 | T168 R208 | S166-T168 VanDerWaalsContact C-N 3.29Å; S166-T168 PolarHBondContact O-N 2.99Å; S166-T168 PolarHBondContact OG-O 3.32Å; S166-R208 PolarHBondContact N-O 2.83Å |
| 167 | S | 49.3 | Very low | 65.6 | Low | 97 Ų | 97 | 71.6 Ų | 71.6 | 68% | 0.678 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -73 | -18.5 | 177.8 | -167.5 | 0 | 0 | 0 | 0 | 113.8 | ||
| 168 | T | 50.8 | Low | 64.4 | Low | 71 Ų | 71 | 74.7 Ų | 74.7 | 44% | 0.436 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -118.2 | 135.7 | -178.2 | 38.5 | 0 | 0 | 0 | 0 | 111.6 | S166 V170 | S166-T168 VanDerWaalsContact C-N 3.29Å; S166-T168 PolarHBondContact O-N 2.99Å; S166-T168 PolarHBondContact OG-O 3.32Å; T168-V170 PolarHBondContact O-N 3.29Å; T168-V170 VanDerWaalsContact O-N 3.12Å |
| 169 | S | 43.8 | Very low | 63.7 | Low | 75 Ų | 75 | 75.7 Ų | 75.7 | 52% | 0.524 | 45% | 0.452 | S | S | . | . | trans | -65.8 | 108.8 | 163.4 | 50.5 | 0 | 0 | 0 | 0 | 108.2 | N171 | S169-N171 PolarHBondContact O-N 2.78Š| ||
| 170 | V | 50 | Low | 63 | Low | 85 Ų | 85 | 74 Ų | 74 | 52% | 0.515 | 44% | 0.442 | S | S | . | . | trans | -59.8 | 110.9 | 171.7 | 179.9 | 0 | 0 | 0 | 0 | 107.2 | T168 S172 | T168-V170 PolarHBondContact O-N 3.29Å; T168-V170 VanDerWaalsContact O-N 3.12Å; V170-S172 PolarHBondContact O-N 2.97Å | ||
| 171 | N | 42.1 | Very low | 62.7 | Low | 140 Ų | 140 | 74 Ų | 74 | 75% | 0.749 | 44% | 0.443 | S | S | * | . | trans | -55.2 | 127.1 | 169 | -78.5 | -27.2 | 0 | 0 | 0 | 107.6 | S169 G173 | S169-N171 PolarHBondContact O-N 2.78Å; N171-G173 PolarHBondContact O-N 2.99Å | ||
| 172 | S | 46.8 | Very low | 62.5 | Low | 137 Ų | 137 | 71.6 Ų | 71.6 | 96% | 0.958 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 34.3 | -153 | -38 | 0 | 0 | 0 | 0 | 116.6 | V170 | V170-S172 PolarHBondContact O-N 2.97Š|
| 173 | G | 49.2 | Very low | 62.5 | Low | 65 Ų | 65 | 71.6 Ų | 71.6 | 67% | 0.67 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126 | -24.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | N171 | N171-G173 PolarHBondContact O-N 2.99Š|
| 174 | Q | 49.3 | Very low | 62.6 | Low | 172 Ų | 172 | 73.3 Ų | 73.3 | 80% | 0.804 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -94.9 | -15 | -165.9 | -148.4 | 70.4 | 28.1 | 0 | 0 | 115.9 | ||
| 175 | C | 53.3 | Low | 62.8 | Low | 46 Ų | 46 | 73.7 Ų | 73.7 | 31% | 0.311 | 44% | 0.44 | S | S | . | . | trans | -146.5 | 92.2 | 177.5 | -72.9 | 0 | 0 | 0 | 0 | 113.2 | A177 C234 | C175-A177 VanDerWaalsContact C-N 3.26Å; C175-A177 PolarHBondContact O-N 3.06Å; C175-C234 HydrophobicContact CB-CB 4.4Å; C175-C234 WeakPolarHBondContact CB-SG 3.38Å; C175-C234 WeakPolarHBondContact SG-CB 3.5Å; C175-C234 CovalentContact SG-SG 2.04Å; C175-C234 PolarHBondContact SG-SG 2.99Å | ||
| 176 | P | 51.2 | Low | 63.3 | Low | 132 Ų | 132 | 73 Ų | 73 | 86% | 0.857 | 44% | 0.439 | S | S | * | . | trans | -86.1 | 12.7 | 170.8 | 34 | -33.4 | 0 | 0 | 0 | 113.5 | K178 | P176-K178 PolarHBondContact O-N 3.39Š| ||
| 177 | A | 53 | Low | 63.7 | Low | 64 Ų | 64 | 72.4 Ų | 72.4 | 53% | 0.529 | 44% | 0.437 | S | S | . | . | trans | -77.6 | 120.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | C175 N179 | C175-A177 VanDerWaalsContact C-N 3.26Å; C175-A177 PolarHBondContact O-N 3.06Å; A177-N179 PolarHBondContact O-N 2.81Å; A177-N179 VanDerWaalsContact O-N 3.1Å | ||
| 178 | K | 63.7 | Low | 64.4 | Low | 137 Ų | 137 | 73.6 Ų | 73.6 | 60% | 0.596 | 43% | 0.43 | S | S | * | . | trans | -56.6 | 114 | 170.6 | -178.2 | 176.4 | 176.5 | 179.3 | 0 | 109.5 | P176 N180 N199 | P176-K178 PolarHBondContact O-N 3.39Å; K178-N180 PolarHBondContact O-N 2.78Å; K178-N199 PolarHBondContact NZ-OD1 2.83Å | ||
| 179 | N | 73.3 | Confident | 64.8 | Low | 30 Ų | 30 | 72.8 Ų | 72.8 | 16% | 0.16 | 44% | 0.436 | C | S | . | . | trans | -53.2 | 124.2 | 176.5 | -71 | -18.9 | 0 | 0 | 0 | 110.3 | L164 A177 Y212 L232 T233 | L164-N179 WeakPolarHBondContact CD2-ND2 3.36Å; A177-N179 PolarHBondContact O-N 2.81Å; A177-N179 VanDerWaalsContact O-N 3.1Å; N179-Y212 WeakPolarHBondContact CB-OH 3.3Å; N179-Y212 PolarHBondContact ND2-OH 2.97Å; N179-L232 WeakPolarHBondContact CA-O 3.42Å; N179-T233 VanDerWaalsContact OD1-CB 3.26Å; N179-T233 WeakPolarHBondContact OD1-CB 3.4Å; N179-T233 PolarHBondContact OD1-OG1 2.96Å | ||
| 180 | N | 75.9 | Confident | 65 | Low | 48 Ų | 48 | 74.8 Ų | 74.8 | 26% | 0.257 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 141.6 | 175.7 | -72.4 | -49.9 | 0 | 0 | 0 | 109.7 | K178 Y182 L232 | K178-N180 PolarHBondContact O-N 2.78Å; N180-Y182 HydrophobicContact CB-CE2 3.96Å; N180-L232 HydrophobicContact CB-CB 4.38Å; N180-L232 PolarHBondContact N-O 3.27Å; N180-L232 PolarHBondContact O-N 3.02Å |
| 181 | V | 83.1 | Confident | 65 | Low | 3 Ų | 3 | 74.5 Ų | 74.5 | 2% | 0.018 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 132.4 | 179.3 | 177.5 | 0 | 0 | 0 | 0 | 111.3 | Y212 C229 A230 V231 | V181-Y212 HydrophobicContact CB-CD1 3.87Å; V181-Y212 HydrophobicContact CB-CE1 4.29Å; V181-Y212 HydrophobicContact CB-CG 4.05Å; V181-Y212 HydrophobicContact CG1-CG 4.21Å; V181-Y212 HydrophobicContact CG2-CD1 3.34Å; V181-Y212 HydrophobicContact CG2-CD2 3.64Å; V181-Y212 HydrophobicContact CG2-CE1 3.39Å; V181-Y212 HydrophobicContact CG2-CE2 3.69Å; V181-Y212 HydrophobicContact CG2-CG 3.47Å; V181-Y212 VanDerWaalsContact CG2-CG 3.47Å; V181-C229 WeakPolarHBondContact CG1-SG 3.43Å; V181-A230 WeakPolarHBondContact CA-O 3.48Å; V181-V231 HydrophobicContact CG2-CB 4.21Å; V181-V231 HydrophobicContact CG2-CG1 3.94Å; V181-V231 HydrophobicContact CG2-CG2 3.84Å |
| 182 | Y | 85.3 | Confident | 65.7 | Low | 63 Ų | 63 | 75 Ų | 75 | 25% | 0.247 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 130.9 | -177.4 | -55.3 | -72.9 | 0 | 0 | 0 | 108.4 | N180 F195 Y197 A230 L232 | N180-Y182 HydrophobicContact CB-CE2 3.96Å; Y182-F195 HydrophobicContact CD1-CE1 4.04Å; Y182-F195 HydrophobicContact CD1-CE2 4.07Å; Y182-F195 AromaticContact CD1-CZ 3.29Å; Y182-F195 HydrophobicContact CD1-CZ 3.29Å; Y182-F195 HydrophobicContact CE1-CZ 4.01Å; Y182-F195 HydrophobicContact CG-CE2 4.19Å; Y182-F195 AromaticContact CG-CZ 3.86Å; Y182-F195 HydrophobicContact CG-CZ 3.86Å; Y182-Y197 AromaticContact CD1-CD2 3.94Å; Y182-Y197 HydrophobicContact CD1-CD2 3.94Å; Y182-Y197 HydrophobicContact CD1-CE2 4.44Å; Y182-Y197 AromaticContact CE1-CD2 3.85Å; Y182-Y197 HydrophobicContact CE1-CD2 3.85Å; Y182-Y197 AromaticContact CE1-CE2 4Å; Y182-Y197 HydrophobicContact CE1-CE2 4Å; Y182-A230 PolarHBondContact N-O 3.44Å; Y182-A230 PolarHBondContact O-N 3.4Å; Y182-L232 HydrophobicContact CE2-CB 4.08Å; Y182-L232 HydrophobicContact CE2-CD2 4.45Å |
| 183 | W | 87.6 | Confident | 66.2 | Low | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 138.2 | 171.6 | -67.6 | 86.9 | 0 | 0 | 0 | 108.8 | L160 C162 I196 T198 L214 Y228 C229 | L160-W183 HydrophobicContact CB-CE3 4.37Å; L160-W183 HydrophobicContact CB-CH2 3.57Å; L160-W183 HydrophobicContact CB-CZ2 4.31Å; L160-W183 HydrophobicContact CB-CZ3 3.61Å; L160-W183 HydrophobicContact CD1-CE3 4.15Å; L160-W183 HydrophobicContact CD1-CZ3 4.03Å; L160-W183 HydrophobicContact CG-CZ3 4.4Å; C162-W183 HydrophobicContact CB-CH2 3.56Å; C162-W183 HydrophobicContact CB-CZ2 3.45Å; C162-W183 VanDerWaalsContact CB-CZ2 3.45Å; W183-I196 HydrophobicContact CB-CB 4.16Å; W183-I196 PolarHBondContact N-O 2.74Å; W183-I196 PolarHBondContact O-N 2.72Å; W183-I196 VanDerWaalsContact O-O 3.12Å; W183-T198 PolarHBondContact NE1-OG1 3.21Å; W183-L214 HydrophobicContact CB-CD2 3.54Å; W183-L214 HydrophobicContact CD2-CB 3.93Å; W183-L214 HydrophobicContact CD2-CD2 3.76Å; W183-L214 HydrophobicContact CE3-CD2 4.16Å; W183-L214 HydrophobicContact CG-CB 4.07Å; W183-L214 HydrophobicContact CG-CD2 3.49Å; W183-L214 VanDerWaalsContact CG-CD2 3.49Å; W183-L214 HydrophobicContact CG-CG 4.4Å; W183-L214 HydrophobicContact CZ2-CB 4.12Å; W183-Y228 WeakPolarHBondContact CA-O 3.46Å; W183-C229 HydrophobicContact CD2-CB 4.32Å; W183-C229 HydrophobicContact CE3-CB 4.04Å; W183-C229 HydrophobicContact CH2-CB 4.05Å; W183-C229 HydrophobicContact CZ2-CB 4.31Å; W183-C229 HydrophobicContact CZ3-CB 3.9Å |
| 184 | F | 87.1 | Confident | 66.9 | Low | 55 Ų | 55 | 72.7 Ų | 72.7 | 24% | 0.241 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 144.7 | 174.2 | 61.8 | -81.9 | 0 | 0 | 0 | 110.1 | V186 S194 F195 Y228 A230 F239 | F184-V186 HydrophobicContact CD2-CG2 4.48Å; F184-S194 WeakPolarHBondContact CA-O 3.26Å; F184-F195 HydrophobicContact CB-CD2 4.44Å; F184-Y228 HydrophobicContact CD2-CD2 4.09Å; F184-Y228 HydrophobicContact CD2-CG 4.43Å; F184-Y228 VanDerWaalsContact CE1-CB 3.48Å; F184-Y228 HydrophobicContact CE1-CG 4.5Å; F184-Y228 AromaticContact CE2-CD2 3.62Å; F184-Y228 HydrophobicContact CE2-CD2 3.62Å; F184-Y228 AromaticContact CE2-CG 3.76Å; F184-Y228 HydrophobicContact CE2-CG 3.76Å; F184-Y228 HydrophobicContact CZ-CD2 4.17Å; F184-Y228 AromaticContact CZ-CG 3.81Å; F184-Y228 HydrophobicContact CZ-CG 3.81Å; F184-Y228 PolarHBondContact N-O 3.31Å; F184-Y228 PolarHBondContact O-N 2.72Å; F184-A230 HydrophobicContact CE1-CB 4.05Å; F184-F239 AromaticContact CE1-CD1 3.82Å; F184-F239 HydrophobicContact CE1-CD1 3.82Å; F184-F239 AromaticContact CE1-CE1 3.74Å; F184-F239 HydrophobicContact CE1-CE1 3.74Å; F184-F239 AromaticContact CZ-CD1 3.75Å; F184-F239 HydrophobicContact CZ-CD1 3.75Å; F184-F239 AromaticContact CZ-CE1 3.72Å; F184-F239 HydrophobicContact CZ-CE1 3.72Å |
| 185 | R | 85.9 | Confident | 67.5 | Low | 18 Ų | 18 | 71.1 Ų | 71.1 | 7% | 0.068 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 134.9 | -179.3 | -177.6 | -165.6 | 155.9 | -134 | -12.3 | 109.8 | S193 S194 S222 D223 A224 I226 Y227 | R185-S193 VanDerWaalsContact O-CA 3.31Å; R185-S193 WeakPolarHBondContact O-CA 3.4Å; R185-S194 PolarHBondContact N-O 3.11Å; R185-S194 PolarHBondContact O-N 3.12Å; R185-S222 PolarHBondContact NH1-O 2.77Å; R185-S222 PolarHBondContact NH2-O 2.88Å; R185-D223 VanDerWaalsContact CZ-C 3.42Å; R185-D223 PolarHBondContact NE-O 3.3Å; R185-D223 IonicContact NH1-OD1 3.76Å; R185-A224 PolarHBondContact NH2-O 3.45Å; R185-I226 WeakPolarHBondContact CA-O 3.43Å; R185-Y227 HydrophobicContact CB-CD1 4.01Å; R185-Y227 HydrophobicContact CB-CE1 3.99Å; R185-Y227 HydrophobicContact CB-CG 4.45Å; R185-Y227 HydrophobicContact CG-CD1 4.2Å; R185-Y227 HydrophobicContact CG-CD2 4.2Å; R185-Y227 HydrophobicContact CG-CE1 3.98Å; R185-Y227 HydrophobicContact CG-CE2 3.98Å; R185-Y227 HydrophobicContact CG-CG 4.32Å |
| 186 | V | 82.7 | Confident | 68.2 | Low | 69 Ų | 69 | 70.8 Ų | 70.8 | 42% | 0.418 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 114 | 166.1 | -177.1 | 0 | 0 | 0 | 0 | 107.6 | F184 G225 I226 Y228 | F184-V186 HydrophobicContact CD2-CG2 4.48Å; V186-G225 CarbonylContact O-C 3.58Å; V186-G225 VanDerWaalsContact O-CA 3.26Å; V186-G225 WeakPolarHBondContact O-CA 3.37Å; V186-I226 PolarHBondContact N-O 3.17Å; V186-I226 PolarHBondContact O-N 3.48Å; V186-Y228 HydrophobicContact CB-CE2 4.21Å; V186-Y228 HydrophobicContact CG2-CD2 4.02Å; V186-Y228 HydrophobicContact CG2-CE2 3.76Å |
| 187 | G | 74.1 | Confident | 68.8 | Low | 13 Ų | 13 | 70.3 Ų | 70.3 | 13% | 0.134 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 158.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G189 | G187-G189 PolarHBondContact O-N 3.02Å |
| 188 | F | 63.8 | Low | 69.2 | Low | 123 Ų | 123 | 68.2 Ų | 68.2 | 54% | 0.539 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -78.1 | 67 | 171.4 | -60.3 | -62.9 | 0 | 0 | 0 | 110.8 | A224 I226 K244 | F188-A224 HydrophobicContact CD2-CB 4.36Å; F188-A224 HydrophobicContact CE2-CB 4.49Å; F188-I226 HydrophobicContact CE1-CG1 4.16Å; F188-I226 HydrophobicContact CZ-CG1 4.24Å; F188-K244 HydrophobicContact CZ-CG 4.07Å |
| 189 | G | 60.2 | Low | 69.1 | Low | 54 Ų | 54 | 65.5 Ų | 65.5 | 56% | 0.557 | 37% | 0.37 | S | S | * | . | S | Bend | trans | 164.3 | 166.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G187 S191 | G187-G189 PolarHBondContact O-N 3.02Å; G189-S191 PolarHBondContact O-N 2.69Å; G189-S191 VanDerWaalsContact O-N 3.12Å |
| 190 | A | 47.3 | Very low | 68.5 | Low | 117 Ų | 117 | 71.3 Ų | 71.3 | 97% | 0.967 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -74.3 | 4.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 191 | S | 50.9 | Low | 68.1 | Low | 79 Ų | 79 | 71.8 Ų | 71.8 | 55% | 0.552 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -125.4 | 125.8 | -174.3 | 54 | 0 | 0 | 0 | 0 | 112.4 | G189 | G189-S191 PolarHBondContact O-N 2.69Å; G189-S191 VanDerWaalsContact O-N 3.12Å |
| 192 | H | 55.1 | Low | 67.3 | Low | 150 Ų | 150 | 76 Ų | 76 | 69% | 0.694 | 43% | 0.43 | S | S | * | . | trans | 75 | 79.5 | 170.4 | -41.5 | -64.2 | 0 | 0 | 0 | 116.6 | ||||
| 193 | S | 58.8 | Low | 66.5 | Low | 108 Ų | 108 | 75.4 Ų | 75.4 | 76% | 0.755 | 44% | 0.435 | S | S | * | . | trans | -67.3 | 129.7 | 145.9 | 51.4 | 0 | 0 | 0 | 0 | 109.1 | R185 | R185-S193 VanDerWaalsContact O-CA 3.31Å; R185-S193 WeakPolarHBondContact O-CA 3.4Å | ||
| 194 | S | 64 | Low | 65.2 | Low | 45 Ų | 45 | 80 Ų | 80 | 32% | 0.315 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 136.7 | 178.6 | 62.2 | 0 | 0 | 0 | 0 | 111.4 | F184 R185 | F184-S194 WeakPolarHBondContact CA-O 3.26Å; R185-S194 PolarHBondContact N-O 3.11Å; R185-S194 PolarHBondContact O-N 3.12Å |
| 195 | F | 62 | Low | 63.7 | Low | 139 Ų | 139 | 83 Ų | 83 | 61% | 0.61 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 128.2 | -179.5 | -173.5 | -99.1 | 0 | 0 | 0 | 109.8 | Y182 F184 | Y182-F195 HydrophobicContact CD1-CE1 4.04Å; Y182-F195 HydrophobicContact CD1-CE2 4.07Å; Y182-F195 AromaticContact CD1-CZ 3.29Å; Y182-F195 HydrophobicContact CD1-CZ 3.29Å; Y182-F195 HydrophobicContact CE1-CZ 4.01Å; Y182-F195 HydrophobicContact CG-CE2 4.19Å; Y182-F195 AromaticContact CG-CZ 3.86Å; Y182-F195 HydrophobicContact CG-CZ 3.86Å; F184-F195 HydrophobicContact CB-CD2 4.44Å |
| 196 | I | 67.4 | Low | 62.2 | Low | 40 Ų | 40 | 88.3 Ų | 88.3 | 21% | 0.205 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 109.9 | -176.2 | -55.3 | 175.6 | 0 | 0 | 0 | 107.7 | W183 T198 L214 Y227 | W183-I196 HydrophobicContact CB-CB 4.16Å; W183-I196 PolarHBondContact N-O 2.74Å; W183-I196 PolarHBondContact O-N 2.72Å; W183-I196 VanDerWaalsContact O-O 3.12Å; I196-T198 HydrophobicContact CG2-CG2 4.2Å; I196-L214 HydrophobicContact CB-CD2 4.44Å; I196-L214 HydrophobicContact CD1-CD2 4.21Å; I196-L214 HydrophobicContact CG2-CD1 3.87Å; I196-L214 HydrophobicContact CG2-CD2 4.1Å; I196-Y227 HydrophobicContact CD1-CE1 4.38Å |
| 197 | Y | 63.1 | Low | 61.1 | Low | 122 Ų | 122 | 91.6 Ų | 91.6 | 48% | 0.478 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 130.5 | 175.7 | 178.6 | -104 | 0 | 0 | 0 | 111 | Y182 N199 | Y182-Y197 AromaticContact CD1-CD2 3.94Å; Y182-Y197 HydrophobicContact CD1-CD2 3.94Å; Y182-Y197 HydrophobicContact CD1-CE2 4.44Å; Y182-Y197 AromaticContact CE1-CD2 3.85Å; Y182-Y197 HydrophobicContact CE1-CD2 3.85Å; Y182-Y197 AromaticContact CE1-CE2 4Å; Y182-Y197 HydrophobicContact CE1-CE2 4Å; Y197-N199 HydrophobicContact CE1-CB 4.15Å; Y197-N199 PolarHBondContact OH-ND2 2.9Å |
| 198 | T | 62.1 | Low | 60.5 | Low | 20 Ų | 20 | 97 Ų | 97 | 12% | 0.123 | 55% | 0.547 | C | S | . | . | trans | -136.7 | 128.5 | 175.8 | 64.3 | 0 | 0 | 0 | 0 | 111.8 | W183 I196 L214 | W183-T198 PolarHBondContact NE1-OG1 3.21Å; I196-T198 HydrophobicContact CG2-CG2 4.2Å; T198-L214 HydrophobicContact CG2-CB 4.23Å; T198-L214 HydrophobicContact CG2-CD1 3.78Å; T198-L214 HydrophobicContact CG2-CG 4.46Å | ||
| 199 | N | 61.3 | Low | 60.8 | Low | 80 Ų | 80 | 92.6 Ų | 92.6 | 43% | 0.428 | 53% | 0.532 | S | S | . | . | trans | -111.5 | 35.5 | 175.9 | -154.2 | -30.7 | 0 | 0 | 0 | 111.5 | K178 Y197 | K178-N199 PolarHBondContact NZ-OD1 2.83Å; Y197-N199 HydrophobicContact CE1-CB 4.15Å; Y197-N199 PolarHBondContact OH-ND2 2.9Å | ||
| 200 | K | 60.9 | Low | 61.7 | Low | 152 Ų | 152 | 90 Ų | 90 | 66% | 0.661 | 51% | 0.505 | S | S | * | . | trans | -98.3 | 109.3 | 171.3 | -73.5 | -173.1 | 178.8 | -178.6 | 0 | 108.6 | ||||
| 201 | S | 68.1 | Low | 63.3 | Low | 57 Ų | 57 | 87 Ų | 87 | 40% | 0.399 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 132.1 | -178.8 | 61.1 | 0 | 0 | 0 | 0 | 110.4 | Y212 | S201-Y212 VanDerWaalsContact CB-CD1 3.49Å |
| 202 | S | 64.8 | Low | 65 | Low | 92 Ų | 92 | 83.4 Ų | 83.4 | 64% | 0.643 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 112.7 | 167 | -171.8 | 0 | 0 | 0 | 0 | 107.9 | D211 | S202-D211 PolarHBondContact N-O 2.72Å; S202-D211 PolarHBondContact O-N 3.05Å |
| 203 | C | 68.9 | Low | 66.5 | Low | 51 Ų | 51 | 80.3 Ų | 80.3 | 35% | 0.345 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 143.8 | 178.4 | -67.9 | 0 | 0 | 0 | 0 | 109.8 | C210 | C203-C210 HydrophobicContact CB-CB 4.13Å; C203-C210 WeakPolarHBondContact CB-SG 3.16Å; C203-C210 WeakPolarHBondContact SG-CB 3.36Å; C203-C210 CovalentContact SG-SG 2.04Å; C203-C210 PolarHBondContact SG-SG 3.29Å |
| 204 | D | 60.8 | Low | 67.8 | Low | 95 Ų | 95 | 75.7 Ų | 75.7 | 51% | 0.508 | 40% | 0.4 | S | S | . | . | trans | -59.1 | 152.2 | 169.5 | -73.4 | -31.4 | 0 | 0 | 0 | 110.9 | Q206 Q207 S209 | D204-Q206 PolarHBondContact O-N 3.06Å; D204-Q207 PolarHBondContact O-N 2.83Å; D204-S209 PolarHBondContact N-O 3.18Å; D204-S209 WeakPolarHBondContact OD2-CB 3.32Å | ||
| 205 | A | 54.5 | Low | 68.9 | Low | 120 Ų | 120 | 76.7 Ų | 76.7 | 99% | 0.992 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -17 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 206 | Q | 55.8 | Low | 70.1 | Confident | 128 Ų | 128 | 72 Ų | 72 | 60% | 0.598 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | 6.8 | 178.3 | -131.8 | 171.5 | 23.4 | 0 | 0 | 113.7 | D204 R208 | D204-Q206 PolarHBondContact O-N 3.06Å; Q206-R208 HydrophobicContact CB-CG 4.41Å; Q206-R208 PolarHBondContact O-N 2.97Å |
| 207 | Q | 60.1 | Low | 71 | Confident | 139 Ų | 139 | 73 Ų | 73 | 65% | 0.65 | 39% | 0.394 | S | S | * | . | S | Bend | trans | 51.8 | 20.5 | -179 | -66.4 | -176.7 | -19.3 | 0 | 0 | 116 | D204 | D204-Q207 PolarHBondContact O-N 2.83Š|
| 208 | R | 61.5 | Low | 72.1 | Confident | 126 Ų | 126 | 67.2 Ų | 67.2 | 48% | 0.475 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -72.6 | -35.6 | 177.7 | -73.2 | 177.2 | 174.2 | 166.7 | -2.2 | 113 | S166 Q206 | S166-R208 PolarHBondContact N-O 2.83Å; Q206-R208 HydrophobicContact CB-CG 4.41Å; Q206-R208 PolarHBondContact O-N 2.97Å |
| 209 | S | 69.5 | Low | 73 | Confident | 30 Ų | 30 | 73.2 Ų | 73.2 | 21% | 0.21 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 136.7 | 172.3 | -165.9 | 0 | 0 | 0 | 0 | 109.7 | L164 D204 | L164-S209 WeakPolarHBondContact O-CA 3.31Å; D204-S209 PolarHBondContact N-O 3.18Å; D204-S209 WeakPolarHBondContact OD2-CB 3.32Å |
| 210 | C | 78.1 | Confident | 73.7 | Confident | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.007 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 119.6 | 170.4 | -74.5 | 0 | 0 | 0 | 0 | 109.7 | S163 L164 C203 Y212 | S163-C210 WeakPolarHBondContact CA-O 3.37Å; L164-C210 HydrophobicContact CB-CB 4.25Å; L164-C210 PolarHBondContact N-O 2.89Å; L164-C210 PolarHBondContact O-N 2.68Å; C203-C210 HydrophobicContact CB-CB 4.13Å; C203-C210 WeakPolarHBondContact CB-SG 3.16Å; C203-C210 WeakPolarHBondContact SG-CB 3.36Å; C203-C210 CovalentContact SG-SG 2.04Å; C203-C210 PolarHBondContact SG-SG 3.29Å; C210-Y212 HydrophobicContact CB-CE2 3.56Å; C210-Y212 WeakPolarHBondContact CB-OH 3.46Å; C210-Y212 WeakPolarHBondContact O-CE2 3.32Å |
| 211 | D | 82.6 | Confident | 74.5 | Confident | 52 Ų | 52 | 69.2 Ų | 69.2 | 28% | 0.278 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 128.3 | 175.6 | -84.1 | -7.6 | 0 | 0 | 0 | 110.7 | R161 S163 S202 | R161-D211 IonicContact NH1-OD2 3.87Å; S163-D211 WeakPolarHBondContact CB-OD1 3.14Å; S163-D211 PolarHBondContact OG-OD1 3.12Å; S202-D211 PolarHBondContact N-O 2.72Å; S202-D211 PolarHBondContact O-N 3.05Å |
| 212 | Y | 85.1 | Confident | 74.9 | Confident | 4 Ų | 4 | 70.4 Ų | 70.4 | 2% | 0.016 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 132.5 | 177.2 | -53.9 | -88.6 | 0 | 0 | 0 | 109 | R161 C162 L164 N179 V181 S201 C210 V231 | R161-Y212 WeakPolarHBondContact CA-O 2.99Å; C162-Y212 PolarHBondContact N-O 2.82Å; C162-Y212 WeakPolarHBondContact O-CD2 3.02Å; C162-Y212 PolarHBondContact O-N 2.94Å; L164-Y212 HydrophobicContact CB-CE2 4.21Å; N179-Y212 WeakPolarHBondContact CB-OH 3.3Å; N179-Y212 PolarHBondContact ND2-OH 2.97Å; V181-Y212 HydrophobicContact CB-CD1 3.87Å; V181-Y212 HydrophobicContact CB-CE1 4.29Å; V181-Y212 HydrophobicContact CB-CG 4.05Å; V181-Y212 HydrophobicContact CG1-CG 4.21Å; V181-Y212 HydrophobicContact CG2-CD1 3.34Å; V181-Y212 HydrophobicContact CG2-CD2 3.64Å; V181-Y212 HydrophobicContact CG2-CE1 3.39Å; V181-Y212 HydrophobicContact CG2-CE2 3.69Å; V181-Y212 HydrophobicContact CG2-CG 3.47Å; V181-Y212 VanDerWaalsContact CG2-CG 3.47Å; S201-Y212 VanDerWaalsContact CB-CD1 3.49Å; C210-Y212 HydrophobicContact CB-CE2 3.56Å; C210-Y212 WeakPolarHBondContact CB-OH 3.46Å; C210-Y212 WeakPolarHBondContact O-CE2 3.32Å; Y212-V231 HydrophobicContact CE2-CG1 4.46Å |
| 213 | Q | 86.2 | Confident | 75.6 | Confident | 86 Ų | 86 | 66.9 Ų | 66.9 | 40% | 0.402 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 126.9 | -175.4 | -173.8 | 174.2 | -17.4 | 0 | 0 | 111.8 | N159 L160 | N159-Q213 PolarHBondContact OD1-NE2 2.87Å; N159-Q213 VanDerWaalsContact OD1-NE2 3.17Å; L160-Q213 WeakPolarHBondContact O-CA 3.4Å |
| 214 | L | 87.1 | Confident | 76.3 | Confident | 11 Ų | 11 | 64.9 Ų | 64.9 | 6% | 0.058 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 121.9 | 169.5 | 165.7 | 59.6 | 0 | 0 | 0 | 109.1 | L160 W183 I196 T198 K216 | L160-L214 HydrophobicContact CB-CB 4.37Å; L160-L214 HydrophobicContact CD1-CD2 4Å; L160-L214 HydrophobicContact CD1-CG 4.34Å; L160-L214 PolarHBondContact N-O 3.26Å; L160-L214 PolarHBondContact O-N 3.28Å; W183-L214 HydrophobicContact CB-CD2 3.54Å; W183-L214 HydrophobicContact CD2-CB 3.93Å; W183-L214 HydrophobicContact CD2-CD2 3.76Å; W183-L214 HydrophobicContact CE3-CD2 4.16Å; W183-L214 HydrophobicContact CG-CB 4.07Å; W183-L214 HydrophobicContact CG-CD2 3.49Å; W183-L214 VanDerWaalsContact CG-CD2 3.49Å; W183-L214 HydrophobicContact CG-CG 4.4Å; W183-L214 HydrophobicContact CZ2-CB 4.12Å; I196-L214 HydrophobicContact CB-CD2 4.44Å; I196-L214 HydrophobicContact CD1-CD2 4.21Å; I196-L214 HydrophobicContact CG2-CD1 3.87Å; I196-L214 HydrophobicContact CG2-CD2 4.1Å; T198-L214 HydrophobicContact CG2-CB 4.23Å; T198-L214 HydrophobicContact CG2-CD1 3.78Å; T198-L214 HydrophobicContact CG2-CG 4.46Å; L214-K216 HydrophobicContact CD1-CB 4.44Å; L214-K216 HydrophobicContact CG-CB 4.36Å |
| 215 | S | 87.9 | Confident | 77.5 | Confident | 65 Ų | 65 | 60.4 Ų | 60.4 | 46% | 0.455 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 119 | 166 | -53.3 | 0 | 0 | 0 | 0 | 108.6 | V158 N159 | V158-S215 CarbonylContact O-C 3.42Å; V158-S215 WeakPolarHBondContact O-CA 3.39Å; N159-S215 WeakPolarHBondContact OD1-CB 3.32Å; N159-S215 PolarHBondContact OD1-OG 2.87Å |
| 216 | K | 86.3 | Confident | 79.1 | Confident | 41 Ų | 41 | 56.8 Ų | 56.8 | 18% | 0.178 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 115.9 | -179.2 | 167 | 58.3 | 177 | 144.2 | 0 | 109.9 | V158 L214 I218 D223 Y227 | V158-K216 PolarHBondContact N-O 2.81Å; V158-K216 PolarHBondContact O-N 2.84Å; L214-K216 HydrophobicContact CD1-CB 4.44Å; L214-K216 HydrophobicContact CG-CB 4.36Å; K216-I218 HydrophobicContact CG-CD1 4.08Å; K216-D223 WeakPolarHBondContact CE-OD1 3.46Å; K216-D223 IonicContact NZ-OD1 2.77Å; K216-D223 PolarHBondContact NZ-OD1 2.96Å; K216-D223 IonicContact NZ-OD2 2.84Å; K216-D223 PolarHBondContact NZ-OD2 3.24Å; K216-Y227 WeakPolarHBondContact CE-OH 3.21Å; K216-Y227 HydrophobicContact CG-CE1 3.84Å |
| 217 | T | 87.1 | Confident | 80.6 | Confident | 62 Ų | 62 | 50.7 Ų | 50.7 | 38% | 0.38 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 132 | 170.7 | -47.7 | 0 | 0 | 0 | 0 | 110.1 | D156 T157 | D156-T217 CarbonylContact O-C 3.54Å; D156-T217 WeakPolarHBondContact O-CA 3.25Å; T157-T217 PolarHBondContact OG1-OG1 2.93Å |
| 218 | I | 84.8 | Confident | 81.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -97.2 | 109.4 | -177.1 | -57 | -62.1 | 0 | 0 | 0 | 106.9 | V152 G155 D156 V158 K216 D223 Y227 V245 M247 | V152-I218 HydrophobicContact CG2-CB 4.5Å; V152-I218 HydrophobicContact CG2-CG1 4.18Å; V152-I218 HydrophobicContact CG2-CG2 4.18Å; G155-I218 PolarHBondContact N-O 3.32Å; D156-I218 PolarHBondContact O-N 2.94Å; V158-I218 HydrophobicContact CG2-CD1 4.32Å; V158-I218 HydrophobicContact CG2-CG1 3.91Å; K216-I218 HydrophobicContact CG-CD1 4.08Å; I218-D223 HydrophobicContact CB-CB 4.44Å; I218-D223 HydrophobicContact CD1-CB 3.99Å; I218-D223 HydrophobicContact CG2-CB 3.87Å; I218-Y227 WeakPolarHBondContact CD1-OH 3.36Å; I218-V245 HydrophobicContact CD1-CG1 4.1Å; I218-V245 HydrophobicContact CG1-CG1 4.44Å; I218-M247 HydrophobicContact CG2-CE 4.15Å; I218-M247 HydrophobicContact CG2-SD 3.81Å | ||
| 219 | Q | 80.7 | Confident | 83.2 | Confident | 146 Ų | 146 | 41 Ų | 41 | 68% | 0.682 | 23% | 0.232 | S | C | * | . | trans | -93.3 | -25.3 | -172.6 | -68.6 | -172.1 | -31.6 | 0 | 0 | 113.7 | D223 | Q219-D223 PolarHBondContact N-OD2 2.93Š| ||
| 220 | T | 77.8 | Confident | 84 | Confident | 60 Ų | 60 | 40 Ų | 40 | 37% | 0.368 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -154.6 | 167.6 | -176.4 | 58.3 | 0 | 0 | 0 | 0 | 109.7 | D154 S222 D223 | D154-T220 VanDerWaalsContact OD1-CA 3.24Å; D154-T220 WeakPolarHBondContact OD1-CA 3.42Å; T220-S222 PolarHBondContact O-N 2.89Å; T220-S222 PolarHBondContact OG1-N 2.86Å; T220-S222 PolarHBondContact OG1-OG 2.98Å; T220-D223 WeakPolarHBondContact O-CB 3.41Å; T220-D223 PolarHBondContact O-N 3.37Å |
| 221 | S | 76.1 | Confident | 84.3 | Confident | 88 Ų | 88 | 39.9 Ų | 39.9 | 62% | 0.615 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -53.6 | -25.3 | 166.5 | 62.2 | 0 | 0 | 0 | 0 | 114.2 | D223 A224 | S221-D223 PolarHBondContact O-N 2.84Å; S221-A224 WeakPolarHBondContact O-CB 3.41Å; S221-A224 PolarHBondContact O-N 2.77Å; S221-A224 VanDerWaalsContact O-N 3.11Å |
| 222 | S | 77.3 | Confident | 84.1 | Confident | 81 Ų | 81 | 40.1 Ų | 40.1 | 57% | 0.566 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -72.4 | 0.5 | 173.8 | 81.1 | 0 | 0 | 0 | 0 | 114.7 | R185 T220 | R185-S222 PolarHBondContact NH1-O 2.77Å; R185-S222 PolarHBondContact NH2-O 2.88Å; T220-S222 PolarHBondContact O-N 2.89Å; T220-S222 PolarHBondContact OG1-N 2.86Å; T220-S222 PolarHBondContact OG1-OG 2.98Å |
| 223 | D | 80.5 | Confident | 83.5 | Confident | 19 Ų | 19 | 41.1 Ų | 41.1 | 10% | 0.102 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -95.6 | -10 | 166.8 | -91.7 | -39.2 | 0 | 0 | 0 | 113.8 | R185 K216 I218 Q219 T220 S221 Y227 | R185-D223 VanDerWaalsContact CZ-C 3.42Å; R185-D223 PolarHBondContact NE-O 3.3Å; R185-D223 IonicContact NH1-OD1 3.76Å; K216-D223 WeakPolarHBondContact CE-OD1 3.46Å; K216-D223 IonicContact NZ-OD1 2.77Å; K216-D223 PolarHBondContact NZ-OD1 2.96Å; K216-D223 IonicContact NZ-OD2 2.84Å; K216-D223 PolarHBondContact NZ-OD2 3.24Å; I218-D223 HydrophobicContact CB-CB 4.44Å; I218-D223 HydrophobicContact CD1-CB 3.99Å; I218-D223 HydrophobicContact CG2-CB 3.87Å; Q219-D223 PolarHBondContact N-OD2 2.93Å; T220-D223 WeakPolarHBondContact O-CB 3.41Å; T220-D223 PolarHBondContact O-N 3.37Å; S221-D223 PolarHBondContact O-N 2.84Å; D223-Y227 PolarHBondContact O-OH 2.76Å |
| 224 | A | 83.2 | Confident | 82.8 | Confident | 9 Ų | 9 | 40.3 Ų | 40.3 | 7% | 0.074 | 24% | 0.235 | C | C | . | . | trans | -72.2 | 141 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R185 F188 S221 M247 | R185-A224 PolarHBondContact NH2-O 3.45Å; F188-A224 HydrophobicContact CD2-CB 4.36Å; F188-A224 HydrophobicContact CE2-CB 4.49Å; S221-A224 WeakPolarHBondContact O-CB 3.41Å; S221-A224 PolarHBondContact O-N 2.77Å; S221-A224 VanDerWaalsContact O-N 3.11Å; A224-M247 HydrophobicContact CB-CG 3.86Å; A224-M247 HydrophobicContact CB-SD 4.04Å | ||
| 225 | G | 85.6 | Confident | 81.6 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.7 | -170.3 | -172 | 0 | 0 | 0 | 0 | 0 | 112.4 | V186 V245 | V186-G225 CarbonylContact O-C 3.58Å; V186-G225 VanDerWaalsContact O-CA 3.26Å; V186-G225 WeakPolarHBondContact O-CA 3.37Å; G225-V245 PolarHBondContact N-O 3.45Å; G225-V245 PolarHBondContact O-N 2.93Å |
| 226 | I | 87.2 | Confident | 80.8 | Confident | 44 Ų | 44 | 44.4 Ų | 44.4 | 23% | 0.226 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 124.5 | 173.5 | -48.2 | 175.4 | 0 | 0 | 0 | 108.5 | R185 V186 F188 Y228 T243 | R185-I226 WeakPolarHBondContact CA-O 3.43Å; V186-I226 PolarHBondContact N-O 3.17Å; V186-I226 PolarHBondContact O-N 3.48Å; F188-I226 HydrophobicContact CE1-CG1 4.16Å; F188-I226 HydrophobicContact CZ-CG1 4.24Å; I226-Y228 HydrophobicContact CB-CD2 4.48Å; I226-Y228 HydrophobicContact CB-CE2 3.75Å; I226-Y228 HydrophobicContact CG2-CD2 4.15Å; I226-Y228 HydrophobicContact CG2-CE1 3.95Å; I226-Y228 HydrophobicContact CG2-CE2 3.53Å; I226-Y228 VanDerWaalsContact CG2-CZ 3.42Å; I226-T243 WeakPolarHBondContact CA-O 3.34Å |
| 227 | Y | 87.6 | Confident | 80.4 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 0% | 0.004 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 115.4 | 178.6 | -72.5 | -103.1 | 0 | 0 | 0 | 109.9 | Q145 L160 R185 I196 K216 I218 D223 G242 T243 V245 | Q145-Y227 PolarHBondContact NE2-O 3.37Å; L160-Y227 HydrophobicContact CD1-CD1 3.65Å; L160-Y227 HydrophobicContact CD1-CE1 4.45Å; L160-Y227 HydrophobicContact CD1-CG 3.67Å; R185-Y227 HydrophobicContact CB-CD1 4.01Å; R185-Y227 HydrophobicContact CB-CE1 3.99Å; R185-Y227 HydrophobicContact CB-CG 4.45Å; R185-Y227 HydrophobicContact CG-CD1 4.2Å; R185-Y227 HydrophobicContact CG-CD2 4.2Å; R185-Y227 HydrophobicContact CG-CE1 3.98Å; R185-Y227 HydrophobicContact CG-CE2 3.98Å; R185-Y227 HydrophobicContact CG-CG 4.32Å; I196-Y227 HydrophobicContact CD1-CE1 4.38Å; K216-Y227 WeakPolarHBondContact CE-OH 3.21Å; K216-Y227 HydrophobicContact CG-CE1 3.84Å; I218-Y227 WeakPolarHBondContact CD1-OH 3.36Å; D223-Y227 PolarHBondContact O-OH 2.76Å; Y227-G242 CarbonylContact O-C 3.58Å; Y227-G242 WeakPolarHBondContact O-CA 3.24Å; Y227-T243 PolarHBondContact N-O 3.29Å; Y227-T243 PolarHBondContact O-N 2.97Å; Y227-V245 HydrophobicContact CD2-CB 4.02Å; Y227-V245 HydrophobicContact CD2-CG2 3.46Å; Y227-V245 VanDerWaalsContact CD2-CG2 3.46Å; Y227-V245 HydrophobicContact CE2-CB 3.84Å; Y227-V245 HydrophobicContact CE2-CG1 4.41Å; Y227-V245 HydrophobicContact CE2-CG2 3.64Å; Y227-V245 HydrophobicContact CG-CG2 4.48Å |
| 228 | Y | 88.2 | Confident | 80.1 | Confident | 62 Ų | 62 | 45.9 Ų | 45.9 | 24% | 0.243 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 145.4 | -179.5 | -64.6 | -82.8 | 0 | 0 | 0 | 111.2 | W183 F184 V186 I226 | W183-Y228 WeakPolarHBondContact CA-O 3.46Å; F184-Y228 HydrophobicContact CD2-CD2 4.09Å; F184-Y228 HydrophobicContact CD2-CG 4.43Å; F184-Y228 VanDerWaalsContact CE1-CB 3.48Å; F184-Y228 HydrophobicContact CE1-CG 4.5Å; F184-Y228 AromaticContact CE2-CD2 3.62Å; F184-Y228 HydrophobicContact CE2-CD2 3.62Å; F184-Y228 AromaticContact CE2-CG 3.76Å; F184-Y228 HydrophobicContact CE2-CG 3.76Å; F184-Y228 HydrophobicContact CZ-CD2 4.17Å; F184-Y228 AromaticContact CZ-CG 3.81Å; F184-Y228 HydrophobicContact CZ-CG 3.81Å; F184-Y228 PolarHBondContact N-O 3.31Å; F184-Y228 PolarHBondContact O-N 2.72Å; V186-Y228 HydrophobicContact CB-CE2 4.21Å; V186-Y228 HydrophobicContact CG2-CD2 4.02Å; V186-Y228 HydrophobicContact CG2-CE2 3.76Å; I226-Y228 HydrophobicContact CB-CD2 4.48Å; I226-Y228 HydrophobicContact CB-CE2 3.75Å; I226-Y228 HydrophobicContact CG2-CD2 4.15Å; I226-Y228 HydrophobicContact CG2-CE1 3.95Å; I226-Y228 HydrophobicContact CG2-CE2 3.53Å; I226-Y228 VanDerWaalsContact CG2-CZ 3.42Å |
| 229 | C | 88.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 136.7 | 168.2 | -178.4 | 0 | 0 | 0 | 0 | 109.5 | Q145 C162 V181 W183 F239 G240 | Q145-C229 HydrophobicContact CG-CB 3.95Å; C162-C229 HydrophobicContact CB-CB 3.58Å; C162-C229 WeakPolarHBondContact CB-SG 3.46Å; C162-C229 WeakPolarHBondContact SG-CB 3.18Å; C162-C229 CovalentContact SG-SG 2.03Å; C162-C229 PolarHBondContact SG-SG 3.23Å; V181-C229 WeakPolarHBondContact CG1-SG 3.43Å; W183-C229 HydrophobicContact CD2-CB 4.32Å; W183-C229 HydrophobicContact CE3-CB 4.04Å; W183-C229 HydrophobicContact CH2-CB 4.05Å; W183-C229 HydrophobicContact CZ2-CB 4.31Å; W183-C229 HydrophobicContact CZ3-CB 3.9Å; C229-F239 WeakPolarHBondContact O-CA 3.33Å; C229-G240 PolarHBondContact O-N 3.47Å |
| 230 | A | 87.3 | Confident | 80.4 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 6% | 0.058 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 118.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | V181 Y182 F184 I237 L238 F239 | V181-A230 WeakPolarHBondContact CA-O 3.48Å; Y182-A230 PolarHBondContact N-O 3.44Å; Y182-A230 PolarHBondContact O-N 3.4Å; F184-A230 HydrophobicContact CE1-CB 4.05Å; A230-I237 HydrophobicContact CB-CG2 4.03Å; A230-L238 CarbonylContact C-O 3.4Å; A230-L238 WeakPolarHBondContact CA-O 3.45Å; A230-F239 HydrophobicContact CB-CD1 3.9Å; A230-F239 HydrophobicContact CB-CE1 3.84Å |
| 231 | V | 83.1 | Confident | 80.7 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 120.2 | 177.3 | -172.6 | 0 | 0 | 0 | 0 | 109.2 | V143 L164 V181 Y212 L238 | V143-V231 HydrophobicContact CG1-CG2 4.1Å; V143-V231 HydrophobicContact CG2-CB 4.09Å; V143-V231 HydrophobicContact CG2-CG2 3.71Å; L164-V231 HydrophobicContact CD1-CB 4.27Å; L164-V231 HydrophobicContact CD1-CG1 3.99Å; L164-V231 HydrophobicContact CD1-CG2 4.49Å; L164-V231 HydrophobicContact CD2-CG1 4.15Å; V181-V231 HydrophobicContact CG2-CB 4.21Å; V181-V231 HydrophobicContact CG2-CG1 3.94Å; V181-V231 HydrophobicContact CG2-CG2 3.84Å; Y212-V231 HydrophobicContact CE2-CG1 4.46Å; V231-L238 PolarHBondContact N-O 3.01Å; V231-L238 PolarHBondContact O-N 3.38Å |
| 232 | L | 77.8 | Confident | 81.1 | Confident | 57 Ų | 57 | 44.3 Ų | 44.3 | 30% | 0.298 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 115.2 | 173.4 | -179.1 | 73.1 | 0 | 0 | 0 | 109.2 | N179 N180 Y182 K236 I237 | N179-L232 WeakPolarHBondContact CA-O 3.42Å; N180-L232 HydrophobicContact CB-CB 4.38Å; N180-L232 PolarHBondContact N-O 3.27Å; N180-L232 PolarHBondContact O-N 3.02Å; Y182-L232 HydrophobicContact CE2-CB 4.08Å; Y182-L232 HydrophobicContact CE2-CD2 4.45Å; L232-K236 WeakPolarHBondContact CA-O 3.41Å; L232-I237 HydrophobicContact CD1-CG1 3.67Å |
| 233 | T | 74.3 | Confident | 81.6 | Confident | 25 Ų | 25 | 40.4 Ų | 40.4 | 15% | 0.153 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 134.3 | 179.1 | -168.4 | 0 | 0 | 0 | 0 | 110.8 | N179 G235 K236 L238 | N179-T233 VanDerWaalsContact OD1-CB 3.26Å; N179-T233 WeakPolarHBondContact OD1-CB 3.4Å; N179-T233 PolarHBondContact OD1-OG1 2.96Å; T233-G235 PolarHBondContact O-N 3.24Å; T233-K236 PolarHBondContact N-O 3.46Å; T233-K236 PolarHBondContact O-N 3.34Å; T233-K236 VanDerWaalsContact O-O 3.1Å; T233-L238 HydrophobicContact CG2-CD1 3.65Å; T233-L238 HydrophobicContact CG2-CG 4.43Å |
| 234 | C | 70.1 | Confident | 82 | Confident | 69 Ų | 69 | 43.3 Ų | 43.3 | 47% | 0.466 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 34.6 | -179.5 | -64.5 | 0 | 0 | 0 | 0 | 115.6 | C175 K236 | C175-C234 HydrophobicContact CB-CB 4.4Å; C175-C234 WeakPolarHBondContact CB-SG 3.38Å; C175-C234 WeakPolarHBondContact SG-CB 3.5Å; C175-C234 CovalentContact SG-SG 2.04Å; C175-C234 PolarHBondContact SG-SG 2.99Å; C234-K236 PolarHBondContact O-N 2.92Å |
| 235 | G | 62.8 | Low | 82.2 | Confident | 74 Ų | 74 | 42.9 Ų | 42.9 | 76% | 0.763 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76 | 0.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | T233 | T233-G235 PolarHBondContact O-N 3.24Š|
| 236 | K | 70.4 | Confident | 82.3 | Confident | 87 Ų | 87 | 46.3 Ų | 46.3 | 38% | 0.378 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 144.1 | 169.6 | -62.6 | -175.9 | 175.2 | -171.9 | 0 | 110.2 | S137 T139 L232 T233 C234 | S137-K236 PolarHBondContact OG-NZ 2.92Å; T139-K236 PolarHBondContact OG1-NZ 2.03Å; L232-K236 WeakPolarHBondContact CA-O 3.41Å; T233-K236 PolarHBondContact N-O 3.46Å; T233-K236 PolarHBondContact O-N 3.34Å; T233-K236 VanDerWaalsContact O-O 3.1Å; C234-K236 PolarHBondContact O-N 2.92Å |
| 237 | I | 78.4 | Confident | 82.1 | Confident | 100 Ų | 100 | 46.8 Ų | 46.8 | 51% | 0.513 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 124.8 | 168.1 | -59.9 | 172.3 | 0 | 0 | 0 | 107.5 | A230 L232 F239 | A230-I237 HydrophobicContact CB-CG2 4.03Å; L232-I237 HydrophobicContact CD1-CG1 3.67Å; I237-F239 HydrophobicContact CG2-CD2 4.31Å; I237-F239 HydrophobicContact CG2-CE1 4.26Å; I237-F239 HydrophobicContact CG2-CE2 3.77Å; I237-F239 HydrophobicContact CG2-CZ 3.75Å |
| 238 | L | 81.5 | Confident | 81.6 | Confident | 35 Ų | 35 | 48.7 Ų | 48.7 | 18% | 0.183 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 119.9 | 178.4 | -58.5 | 169.5 | 0 | 0 | 0 | 108.5 | T141 V143 L164 A230 V231 T233 | T141-L238 HydrophobicContact CG2-CD1 3.57Å; T141-L238 WeakPolarHBondContact O-CD1 3.26Å; V143-L238 HydrophobicContact CG2-CB 3.55Å; V143-L238 HydrophobicContact CG2-CD1 4.39Å; L164-L238 HydrophobicContact CD1-CD1 3.72Å; A230-L238 CarbonylContact C-O 3.4Å; A230-L238 WeakPolarHBondContact CA-O 3.45Å; V231-L238 PolarHBondContact N-O 3.01Å; V231-L238 PolarHBondContact O-N 3.38Å; T233-L238 HydrophobicContact CG2-CD1 3.65Å; T233-L238 HydrophobicContact CG2-CG 4.43Å |
| 239 | F | 85.6 | Confident | 80.2 | Confident | 123 Ų | 123 | 54.3 Ų | 54.3 | 54% | 0.539 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 141.2 | 176.7 | -65.3 | -83.5 | 0 | 0 | 0 | 110.3 | F184 C229 A230 I237 | F184-F239 AromaticContact CE1-CD1 3.82Å; F184-F239 HydrophobicContact CE1-CD1 3.82Å; F184-F239 AromaticContact CE1-CE1 3.74Å; F184-F239 HydrophobicContact CE1-CE1 3.74Å; F184-F239 AromaticContact CZ-CD1 3.75Å; F184-F239 HydrophobicContact CZ-CD1 3.75Å; F184-F239 AromaticContact CZ-CE1 3.72Å; F184-F239 HydrophobicContact CZ-CE1 3.72Å; C229-F239 WeakPolarHBondContact O-CA 3.33Å; A230-F239 HydrophobicContact CB-CD1 3.9Å; A230-F239 HydrophobicContact CB-CE1 3.84Å; I237-F239 HydrophobicContact CG2-CD2 4.31Å; I237-F239 HydrophobicContact CG2-CE1 4.26Å; I237-F239 HydrophobicContact CG2-CE2 3.77Å; I237-F239 HydrophobicContact CG2-CZ 3.75Å |
| 240 | G | 84.3 | Confident | 78.6 | Confident | 6 Ų | 6 | 56.3 Ų | 56.3 | 6% | 0.062 | 32% | 0.316 | C | S | . | . | trans | -84.2 | 164.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V143 Q145 C229 G242 | V143-G240 WeakPolarHBondContact O-CA 3.39Å; Q145-G240 VanDerWaalsContact OE1-C 3.25Å; Q145-G240 VanDerWaalsContact OE1-CA 3.3Å; Q145-G240 PolarHBondContact OE1-O 3Å; C229-G240 PolarHBondContact O-N 3.47Å; G240-G242 PolarHBondContact O-N 3.46Å; G240-G242 VanDerWaalsContact O-N 3.12Å | ||
| 241 | E | 84.3 | Confident | 76.6 | Confident | 121 Ų | 121 | 61 Ų | 61 | 57% | 0.565 | 35% | 0.348 | S | S | * | . | trans | -65.3 | -14.9 | -175.1 | -64.5 | 158.6 | 149.1 | 0 | 0 | 113.9 | H142 | H142-E241 IonicContact CE1-OE1 2.71Š| ||
| 242 | G | 85.7 | Confident | 74.8 | Confident | 10 Ų | 10 | 65.2 Ų | 65.2 | 10% | 0.103 | 38% | 0.378 | C | S | . | . | trans | 90.1 | 152.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q145 Y227 G240 | Q145-G242 VanDerWaalsContact OE1-N 3.15Å; Y227-G242 CarbonylContact O-C 3.58Å; Y227-G242 WeakPolarHBondContact O-CA 3.24Å; G240-G242 PolarHBondContact O-N 3.46Å; G240-G242 VanDerWaalsContact O-N 3.12Å | ||
| 243 | T | 88.1 | Confident | 73.3 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 119.6 | 172.7 | -61.5 | 0 | 0 | 0 | 0 | 109.2 | P147 T150 L160 I226 Y227 V245 | P147-T243 HydrophobicContact CG-CG2 3.98Å; P147-T243 VanDerWaalsContact O-CB 3.25Å; P147-T243 WeakPolarHBondContact O-CB 3.03Å; P147-T243 WeakPolarHBondContact O-CG2 3.43Å; P147-T243 PolarHBondContact O-OG1 3.45Å; T150-T243 HydrophobicContact CG2-CG2 4.4Å; L160-T243 HydrophobicContact CD2-CG2 3.43Å; L160-T243 VanDerWaalsContact CD2-CG2 3.43Å; I226-T243 WeakPolarHBondContact CA-O 3.34Å; Y227-T243 PolarHBondContact N-O 3.29Å; Y227-T243 PolarHBondContact O-N 2.97Å; T243-V245 HydrophobicContact CG2-CG2 4.24Å; T243-V245 PolarHBondContact O-N 3.02Å |
| 244 | K | 88.3 | Confident | 72.2 | Confident | 79 Ų | 79 | 73.9 Ų | 73.9 | 34% | 0.343 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 116.6 | 175.4 | -161.1 | -169.6 | -166.3 | -164.7 | 0 | 109.9 | E148 T149 T150 F188 E246 | E148-K244 PolarHBondContact O-N 3.06Å; T149-K244 CarbonylContact C-O 3.57Å; T149-K244 VanDerWaalsContact CA-O 3.29Å; T149-K244 WeakPolarHBondContact CA-O 3.46Å; T149-K244 HydrophobicContact CG2-CB 4.19Å; T149-K244 HydrophobicContact CG2-CD 4.31Å; T150-K244 PolarHBondContact N-O 3.45Å; F188-K244 HydrophobicContact CZ-CG 4.07Å; K244-E246 HydrophobicContact CD-CG 4.1Å; K244-E246 WeakPolarHBondContact CE-OE1 3.35Å; K244-E246 HydrophobicContact CG-CG 4.13Å; K244-E246 IonicContact NZ-OE1 3.95Å; K244-E246 PolarHBondContact NZ-OE1 3.44Å |
| 245 | V | 87.9 | Confident | 71.6 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 111.8 | 175.3 | -179.3 | 0 | 0 | 0 | 0 | 108.4 | T150 V152 V158 I218 G225 Y227 T243 | T150-V245 HydrophobicContact CG2-CB 4.39Å; T150-V245 HydrophobicContact CG2-CG1 4.41Å; T150-V245 HydrophobicContact CG2-CG2 3.84Å; T150-V245 WeakPolarHBondContact O-CA 3.31Å; V152-V245 HydrophobicContact CG2-CG1 3.63Å; V158-V245 HydrophobicContact CG1-CG2 4.41Å; V158-V245 HydrophobicContact CG2-CG1 4.1Å; V158-V245 HydrophobicContact CG2-CG2 4.46Å; I218-V245 HydrophobicContact CD1-CG1 4.1Å; I218-V245 HydrophobicContact CG1-CG1 4.44Å; G225-V245 PolarHBondContact N-O 3.45Å; G225-V245 PolarHBondContact O-N 2.93Å; Y227-V245 HydrophobicContact CD2-CB 4.02Å; Y227-V245 HydrophobicContact CD2-CG2 3.46Å; Y227-V245 VanDerWaalsContact CD2-CG2 3.46Å; Y227-V245 HydrophobicContact CE2-CB 3.84Å; Y227-V245 HydrophobicContact CE2-CG1 4.41Å; Y227-V245 HydrophobicContact CE2-CG2 3.64Å; Y227-V245 HydrophobicContact CG-CG2 4.48Å; T243-V245 HydrophobicContact CG2-CG2 4.24Å; T243-V245 PolarHBondContact O-N 3.02Å |
| 246 | E | 87.9 | Confident | 71.7 | Confident | 73 Ų | 73 | 74.2 Ų | 74.2 | 34% | 0.341 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 143.5 | -179 | -60.3 | -172.2 | 141.1 | 0 | 0 | 111 | T150 S151 V152 K244 S248 | T150-E246 PolarHBondContact O-N 2.96Å; S151-E246 VanDerWaalsContact CA-O 3.3Å; S151-E246 WeakPolarHBondContact CA-O 3.29Å; V152-E246 WeakPolarHBondContact CG2-O 3.41Å; V152-E246 PolarHBondContact N-O 3.4Å; K244-E246 HydrophobicContact CD-CG 4.1Å; K244-E246 WeakPolarHBondContact CE-OE1 3.35Å; K244-E246 HydrophobicContact CG-CG 4.13Å; K244-E246 IonicContact NZ-OE1 3.95Å; K244-E246 PolarHBondContact NZ-OE1 3.44Å; E246-S248 PolarHBondContact O-N 3Å |
| 247 | M | 81.9 | Confident | 71.3 | Confident | 54 Ų | 54 | 74.4 Ų | 74.4 | 27% | 0.266 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 121 | 166.6 | -58.7 | -49.7 | -66.2 | 0 | 0 | 108.7 | V152 D154 I218 A224 M249 | V152-M247 HydrophobicContact CG2-SD 4.32Å; D154-M247 WeakPolarHBondContact OD1-CE 3.46Å; I218-M247 HydrophobicContact CG2-CE 4.15Å; I218-M247 HydrophobicContact CG2-SD 3.81Å; A224-M247 HydrophobicContact CB-CG 3.86Å; A224-M247 HydrophobicContact CB-SD 4.04Å; M247-M249 PolarHBondContact O-N 3.49Å |
| 248 | S | 76.6 | Confident | 70.8 | Confident | 41 Ų | 41 | 73 Ų | 73 | 29% | 0.287 | 41% | 0.412 | S | S | . | . | trans | -63.8 | 128.4 | 165.6 | 67 | 0 | 0 | 0 | 0 | 108.6 | V152 Q153 E246 G250 | V152-S248 PolarHBondContact O-N 3.32Å; V152-S248 PolarHBondContact O-OG 2.96Å; Q153-S248 WeakPolarHBondContact CG-OG 3.22Å; E246-S248 PolarHBondContact O-N 3Å; S248-G250 PolarHBondContact O-N 3.49Å | ||
| 249 | M | 60.5 | Low | 70.3 | Confident | 180 Ų | 180 | 75.1 Ų | 75.1 | 89% | 0.887 | 42% | 0.423 | S | S | * | . | trans | -76.9 | 56.3 | 177.1 | -162.5 | 78.9 | 171.7 | 0 | 0 | 110.2 | M247 S251 | M247-M249 PolarHBondContact O-N 3.49Å; M249-S251 PolarHBondContact O-N 3.11Å | ||
| 250 | G | 53.8 | Low | 69.6 | Low | 41 Ų | 41 | 73.4 Ų | 73.4 | 42% | 0.423 | 42% | 0.423 | S | S | . | . | trans | -63.6 | 105.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | S248 S252 | S248-G250 PolarHBondContact O-N 3.49Å; G250-S252 PolarHBondContact O-N 2.79Å | ||
| 251 | S | 45.9 | Very low | 69.3 | Low | 105 Ų | 105 | 78 Ų | 78 | 73% | 0.734 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 26.1 | 75.1 | 168.4 | 60 | 0 | 0 | 0 | 0 | 115.1 | M249 H253 | M249-S251 PolarHBondContact O-N 3.11Å; S251-H253 PolarHBondContact O-N 3.46Å |
| 252 | S | 44.6 | Very low | 68.8 | Low | 89 Ų | 89 | 75.2 Ų | 75.2 | 62% | 0.622 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 0.8 | 81.7 | 166.6 | 58.8 | 0 | 0 | 0 | 0 | 115.9 | G250 L254 | G250-S252 PolarHBondContact O-N 2.79Å; S252-L254 PolarHBondContact O-N 3.5Å |
| 253 | H | 46.9 | Very low | 68.7 | Low | 176 Ų | 176 | 78.9 Ų | 78.9 | 82% | 0.815 | 46% | 0.459 | S | S | * | . | trans | -71.3 | 77.7 | 157.9 | -116.9 | -76.6 | 0 | 0 | 0 | 107.2 | S251 S255 | S251-H253 PolarHBondContact O-N 3.46Å; H253-S255 PolarHBondContact O-N 3.38Å | ||
| 254 | L | 50.6 | Low | 68.4 | Low | 88 Ų | 88 | 83.6 Ų | 83.6 | 46% | 0.461 | 48% | 0.484 | S | S | . | . | trans | -49.1 | 116.4 | 164 | -74.5 | 157.8 | 0 | 0 | 0 | 105.9 | S252 V258 L259 | S252-L254 PolarHBondContact O-N 3.5Å; L254-V258 HydrophobicContact CD2-CG1 4.09Å; L254-L259 HydrophobicContact CB-CD1 4.14Å; L254-L259 HydrophobicContact CB-CD2 3.69Å; L254-L259 HydrophobicContact CB-CG 3.6Å; L254-L259 HydrophobicContact CD1-CD2 3.7Å; L254-L259 HydrophobicContact CG-CD2 4.32Å; L254-L259 WeakPolarHBondContact O-CD1 3.26Å | ||
| 255 | S | 58.7 | Low | 68.2 | Low | 57 Ų | 57 | 84.9 Ų | 84.9 | 40% | 0.399 | 49% | 0.494 | S | S | . | . | trans | -56.9 | 143.1 | -170.5 | 58.8 | 0 | 0 | 0 | 0 | 109.4 | H253 P257 V258 L259 | H253-S255 PolarHBondContact O-N 3.38Å; S255-P257 VanDerWaalsContact C-N 3.27Å; S255-V258 WeakPolarHBondContact O-CA 3.43Å; S255-V258 PolarHBondContact O-N 2.9Å; S255-V258 VanDerWaalsContact OG-CG2 3.26Å; S255-V258 WeakPolarHBondContact OG-CG2 3.34Å; S255-L259 PolarHBondContact O-N 3.21Å; S255-L259 VanDerWaalsContact O-N 3.11Å | ||
| 256 | P | 63.9 | Low | 68 | Low | 94 Ų | 94 | 87.5 Ų | 87.5 | 61% | 0.61 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -44.2 | -43.4 | -178.2 | -29.8 | 34.8 | 0 | 0 | 0 | 114.9 | V258 L259 V260 | P256-V258 PolarHBondContact O-N 3.44Å; P256-L259 PolarHBondContact O-N 3.42Å; P256-V260 WeakPolarHBondContact O-CB 3.46Å; P256-V260 VanDerWaalsContact O-CG2 3.26Å; P256-V260 WeakPolarHBondContact O-CG2 3.26Å; P256-V260 PolarHBondContact O-N 3.15Å |
| 257 | P | 62.3 | Low | 67.7 | Low | 90 Ų | 90 | 87 Ų | 87 | 58% | 0.584 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.6 | -32.2 | 174.7 | 25 | -35.5 | 0 | 0 | 0 | 114.8 | S255 L261 | S255-P257 VanDerWaalsContact C-N 3.27Å; P257-L261 WeakPolarHBondContact O-CB 3.27Å; P257-L261 PolarHBondContact O-N 3.48Å |
| 258 | V | 68.4 | Low | 67.8 | Low | 71 Ų | 71 | 87.7 Ų | 87.7 | 43% | 0.43 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -72.9 | -39 | 178.2 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | L254 S255 P256 L261 S262 | L254-V258 HydrophobicContact CD2-CG1 4.09Å; S255-V258 WeakPolarHBondContact O-CA 3.43Å; S255-V258 PolarHBondContact O-N 2.9Å; S255-V258 VanDerWaalsContact OG-CG2 3.26Å; S255-V258 WeakPolarHBondContact OG-CG2 3.34Å; P256-V258 PolarHBondContact O-N 3.44Å; V258-L261 PolarHBondContact O-N 2.87Å; V258-S262 WeakPolarHBondContact O-CB 3.39Å; V258-S262 PolarHBondContact O-N 3.36Å; V258-S262 PolarHBondContact O-OG 3.28Å |
| 259 | L | 69.9 | Low | 68.3 | Low | 80 Ų | 80 | 89.9 Ų | 89.9 | 42% | 0.419 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.5 | -46.4 | 170.9 | -74.8 | 174 | 0 | 0 | 0 | 111.6 | L254 S255 P256 L261 S262 V263 | L254-L259 HydrophobicContact CB-CD1 4.14Å; L254-L259 HydrophobicContact CB-CD2 3.69Å; L254-L259 HydrophobicContact CB-CG 3.6Å; L254-L259 HydrophobicContact CD1-CD2 3.7Å; L254-L259 HydrophobicContact CG-CD2 4.32Å; L254-L259 WeakPolarHBondContact O-CD1 3.26Å; S255-L259 PolarHBondContact O-N 3.21Å; S255-L259 VanDerWaalsContact O-N 3.11Å; P256-L259 PolarHBondContact O-N 3.42Å; L259-L261 VanDerWaalsContact C-N 3.32Å; L259-L261 PolarHBondContact O-N 2.98Å; L259-S262 PolarHBondContact O-N 3.35Å; L259-S262 PolarHBondContact O-OG 3.03Å; L259-V263 WeakPolarHBondContact O-CG2 3.29Å; L259-V263 PolarHBondContact O-N 3.5Å |
| 260 | V | 71.7 | Confident | 69.4 | Low | 87 Ų | 87 | 85.6 Ų | 85.6 | 53% | 0.527 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 177.9 | 168.1 | 0 | 0 | 0 | 0 | 111 | P256 L264 | P256-V260 WeakPolarHBondContact O-CB 3.46Å; P256-V260 VanDerWaalsContact O-CG2 3.26Å; P256-V260 WeakPolarHBondContact O-CG2 3.26Å; P256-V260 PolarHBondContact O-N 3.15Å; V260-L264 HydrophobicContact CG1-CD1 3.76Å; V260-L264 HydrophobicContact CG1-CG 4.48Å; V260-L264 WeakPolarHBondContact O-CB 3.45Å; V260-L264 WeakPolarHBondContact O-CD1 3.39Å; V260-L264 VanDerWaalsContact O-CG 3.3Å; V260-L264 WeakPolarHBondContact O-CG 3.37Å; V260-L264 PolarHBondContact O-N 3.5Å |
| 261 | L | 76.8 | Confident | 71 | Confident | 103 Ų | 103 | 89.4 Ų | 89.4 | 54% | 0.539 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.6 | -39.5 | 177.7 | -171.5 | 66.3 | 0 | 0 | 0 | 112.5 | P257 V258 L259 L264 L265 | P257-L261 WeakPolarHBondContact O-CB 3.27Å; P257-L261 PolarHBondContact O-N 3.48Å; V258-L261 PolarHBondContact O-N 2.87Å; L259-L261 VanDerWaalsContact C-N 3.32Å; L259-L261 PolarHBondContact O-N 2.98Å; L261-L264 PolarHBondContact O-N 3.37Å; L261-L265 HydrophobicContact CG-CD1 4.18Å; L261-L265 WeakPolarHBondContact O-CB 3.34Å; L261-L265 VanDerWaalsContact O-CG 3.31Å; L261-L265 WeakPolarHBondContact O-CG 3.41Å; L261-L265 PolarHBondContact O-N 3.06Å |
| 262 | S | 75.4 | Confident | 72.9 | Confident | 61 Ų | 61 | 89.2 Ų | 89.2 | 43% | 0.427 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.8 | -39.6 | 177.9 | 71.2 | 0 | 0 | 0 | 0 | 112.2 | V258 L259 L265 A266 | V258-S262 WeakPolarHBondContact O-CB 3.39Å; V258-S262 PolarHBondContact O-N 3.36Å; V258-S262 PolarHBondContact O-OG 3.28Å; L259-S262 PolarHBondContact O-N 3.35Å; L259-S262 PolarHBondContact O-OG 3.03Å; S262-L265 PolarHBondContact O-N 2.96Å; S262-A266 WeakPolarHBondContact O-CB 3.23Å; S262-A266 PolarHBondContact O-N 2.95Å |
| 263 | V | 82.4 | Confident | 74.7 | Confident | 88 Ų | 88 | 88.8 Ų | 88.8 | 53% | 0.533 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.1 | -44 | 173.6 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | L259 L265 A266 C267 | L259-V263 WeakPolarHBondContact O-CG2 3.29Å; L259-V263 PolarHBondContact O-N 3.5Å; V263-L265 PolarHBondContact O-N 3.01Å; V263-A266 PolarHBondContact O-N 3.03Å; V263-C267 WeakPolarHBondContact O-CB 3.5Å; V263-C267 PolarHBondContact O-N 3.49Å; V263-C267 PolarHBondContact O-SG 3.28Å |
| 264 | L | 81.2 | Confident | 76.4 | Confident | 98 Ų | 98 | 83.2 Ų | 83.2 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 174.8 | -81.1 | 164.1 | 0 | 0 | 0 | 112 | V260 L261 C267 C268 | V260-L264 HydrophobicContact CG1-CD1 3.76Å; V260-L264 HydrophobicContact CG1-CG 4.48Å; V260-L264 WeakPolarHBondContact O-CB 3.45Å; V260-L264 WeakPolarHBondContact O-CD1 3.39Å; V260-L264 VanDerWaalsContact O-CG 3.3Å; V260-L264 WeakPolarHBondContact O-CG 3.37Å; V260-L264 PolarHBondContact O-N 3.5Å; L261-L264 PolarHBondContact O-N 3.37Å; L264-C267 PolarHBondContact O-N 3.5Å; L264-C268 WeakPolarHBondContact O-CB 3.47Å; L264-C268 PolarHBondContact O-N 2.93Å; L264-C268 PolarHBondContact O-SG 3.49Å; L264-C268 VanDerWaalsContact O-SG 3.32Å |
| 265 | L | 85.1 | Confident | 78 | Confident | 106 Ų | 106 | 83.7 Ų | 83.7 | 56% | 0.555 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.8 | -44.6 | 176.1 | -76.9 | 165.8 | 0 | 0 | 0 | 111.8 | L261 S262 V263 C267 C268 V269 | L261-L265 HydrophobicContact CG-CD1 4.18Å; L261-L265 WeakPolarHBondContact O-CB 3.34Å; L261-L265 VanDerWaalsContact O-CG 3.31Å; L261-L265 WeakPolarHBondContact O-CG 3.41Å; L261-L265 PolarHBondContact O-N 3.06Å; S262-L265 PolarHBondContact O-N 2.96Å; V263-L265 PolarHBondContact O-N 3.01Å; L265-C267 PolarHBondContact O-N 2.93Å; L265-C268 PolarHBondContact O-N 3.04Å; L265-V269 WeakPolarHBondContact O-CG2 3.48Å; L265-V269 PolarHBondContact O-N 2.9Å |
| 266 | A | 82.6 | Confident | 79.1 | Confident | 55 Ų | 55 | 85.5 Ų | 85.5 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.1 | -45.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S262 V263 C268 V269 T270 | S262-A266 WeakPolarHBondContact O-CB 3.23Å; S262-A266 PolarHBondContact O-N 2.95Å; V263-A266 PolarHBondContact O-N 3.03Å; A266-C268 PolarHBondContact O-N 3.27Å; A266-V269 PolarHBondContact O-N 3.47Å; A266-T270 WeakPolarHBondContact O-CG2 3.46Å; A266-T270 PolarHBondContact O-N 3.31Å; A266-T270 PolarHBondContact O-OG1 3.39Å |
| 267 | C | 82.3 | Confident | 79.9 | Confident | 62 Ų | 62 | 84.7 Ų | 84.7 | 42% | 0.419 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 175.7 | -71.4 | 0 | 0 | 0 | 0 | 112.8 | V263 L264 L265 T270 L271 | V263-C267 WeakPolarHBondContact O-CB 3.5Å; V263-C267 PolarHBondContact O-N 3.49Å; V263-C267 PolarHBondContact O-SG 3.28Å; L264-C267 PolarHBondContact O-N 3.5Å; L265-C267 PolarHBondContact O-N 2.93Å; C267-T270 WeakPolarHBondContact CA-OG1 3.44Å; C267-T270 PolarHBondContact O-N 2.9Å; C267-T270 PolarHBondContact O-OG1 3.5Å; C267-T270 VanDerWaalsContact O-OG1 3.04Å; C267-L271 WeakPolarHBondContact O-CB 3.35Å; C267-L271 VanDerWaalsContact O-CG 3.23Å; C267-L271 WeakPolarHBondContact O-CG 3.34Å; C267-L271 PolarHBondContact O-N 3.26Å |
| 268 | C | 85.3 | Confident | 80.7 | Confident | 69 Ų | 69 | 87.6 Ų | 87.6 | 47% | 0.466 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 174.7 | -75.5 | 0 | 0 | 0 | 0 | 111.8 | L264 L265 A266 I272 | L264-C268 WeakPolarHBondContact O-CB 3.47Å; L264-C268 PolarHBondContact O-N 2.93Å; L264-C268 PolarHBondContact O-SG 3.49Å; L264-C268 VanDerWaalsContact O-SG 3.32Å; L265-C268 PolarHBondContact O-N 3.04Å; A266-C268 PolarHBondContact O-N 3.27Å; C268-I272 WeakPolarHBondContact O-CD1 3.3Å; C268-I272 VanDerWaalsContact O-CG1 3.23Å; C268-I272 WeakPolarHBondContact O-CG1 3.49Å; C268-I272 PolarHBondContact O-N 3.31Å |
| 269 | V | 85.7 | Confident | 81.2 | Confident | 88 Ų | 88 | 88.3 Ų | 88.3 | 53% | 0.533 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.1 | -44.2 | 178 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | L265 A266 L271 I272 V273 | L265-V269 WeakPolarHBondContact O-CG2 3.48Å; L265-V269 PolarHBondContact O-N 2.9Å; A266-V269 PolarHBondContact O-N 3.47Å; V269-L271 PolarHBondContact O-N 3Å; V269-I272 PolarHBondContact O-N 2.91Å; V269-V273 WeakPolarHBondContact O-CG2 3.33Å; V269-V273 PolarHBondContact O-N 3.4Å |
| 270 | T | 83.8 | Confident | 81.4 | Confident | 89 Ų | 89 | 91.6 Ų | 91.6 | 55% | 0.546 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 178.4 | 55.2 | 0 | 0 | 0 | 0 | 112.2 | A266 C267 V273 A274 | A266-T270 WeakPolarHBondContact O-CG2 3.46Å; A266-T270 PolarHBondContact O-N 3.31Å; A266-T270 PolarHBondContact O-OG1 3.39Å; C267-T270 WeakPolarHBondContact CA-OG1 3.44Å; C267-T270 PolarHBondContact O-N 2.9Å; C267-T270 PolarHBondContact O-OG1 3.5Å; C267-T270 VanDerWaalsContact O-OG1 3.04Å; T270-V273 PolarHBondContact O-N 3.02Å; T270-A274 WeakPolarHBondContact O-CB 3.23Å; T270-A274 PolarHBondContact O-N 3.46Å |
| 271 | L | 87.6 | Confident | 81.2 | Confident | 121 Ų | 121 | 93 Ų | 93 | 63% | 0.634 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.2 | -42.1 | 173.2 | -73 | 171.8 | 0 | 0 | 0 | 112.2 | C267 V269 A274 L275 | C267-L271 WeakPolarHBondContact O-CB 3.35Å; C267-L271 VanDerWaalsContact O-CG 3.23Å; C267-L271 WeakPolarHBondContact O-CG 3.34Å; C267-L271 PolarHBondContact O-N 3.26Å; V269-L271 PolarHBondContact O-N 3Å; L271-A274 PolarHBondContact O-N 3.01Å; L271-L275 WeakPolarHBondContact O-CB 3.36Å; L271-L275 PolarHBondContact O-N 3.31Å |
| 272 | I | 86.1 | Confident | 80.7 | Confident | 102 Ų | 102 | 91 Ų | 91 | 52% | 0.523 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 176.1 | -70.9 | 164 | 0 | 0 | 0 | 111 | C268 V269 L275 I276 | C268-I272 WeakPolarHBondContact O-CD1 3.3Å; C268-I272 VanDerWaalsContact O-CG1 3.23Å; C268-I272 WeakPolarHBondContact O-CG1 3.49Å; C268-I272 PolarHBondContact O-N 3.31Å; V269-I272 PolarHBondContact O-N 2.91Å; I272-L275 PolarHBondContact O-N 3.46Å; I272-I276 HydrophobicContact CG2-CD1 3.83Å; I272-I276 VanDerWaalsContact O-CG1 3.27Å; I272-I276 WeakPolarHBondContact O-CG1 3.21Å; I272-I276 PolarHBondContact O-N 2.89Å |
| 273 | V | 82.9 | Confident | 80.1 | Confident | 80 Ų | 80 | 92.6 Ų | 92.6 | 49% | 0.485 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -45.4 | 177.2 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | V269 T270 L275 I276 V277 | V269-V273 WeakPolarHBondContact O-CG2 3.33Å; V269-V273 PolarHBondContact O-N 3.4Å; T270-V273 PolarHBondContact O-N 3.02Å; V273-L275 VanDerWaalsContact C-N 3.32Å; V273-L275 PolarHBondContact O-N 3.35Å; V273-I276 PolarHBondContact O-N 2.87Å; V273-V277 HydrophobicContact CG1-CG2 4.43Å; V273-V277 WeakPolarHBondContact O-CG2 3.49Å; V273-V277 PolarHBondContact O-N 3.49Å |
| 274 | A | 82.5 | Confident | 78.8 | Confident | 58 Ų | 58 | 92.9 Ų | 92.9 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.4 | -41 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | T270 L271 V277 Y278 | T270-A274 WeakPolarHBondContact O-CB 3.23Å; T270-A274 PolarHBondContact O-N 3.46Å; L271-A274 PolarHBondContact O-N 3.01Å; A274-V277 PolarHBondContact O-N 3.22Å; A274-Y278 VanDerWaalsContact O-CB 3.31Å; A274-Y278 WeakPolarHBondContact O-CB 3.44Å; A274-Y278 PolarHBondContact O-N 2.93Å |
| 275 | L | 83.6 | Confident | 77.4 | Confident | 99 Ų | 99 | 90.5 Ų | 90.5 | 52% | 0.518 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 176 | -151.5 | 93.3 | 0 | 0 | 0 | 111.8 | L271 I272 V273 Y278 I279 | L271-L275 WeakPolarHBondContact O-CB 3.36Å; L271-L275 PolarHBondContact O-N 3.31Å; I272-L275 PolarHBondContact O-N 3.46Å; V273-L275 VanDerWaalsContact C-N 3.32Å; V273-L275 PolarHBondContact O-N 3.35Å; L275-Y278 PolarHBondContact O-N 3.41Å; L275-I279 HydrophobicContact CD2-CD1 4.13Å; L275-I279 HydrophobicContact CG-CD1 4.27Å; L275-I279 WeakPolarHBondContact O-CB 3.19Å; L275-I279 WeakPolarHBondContact O-CD1 3.38Å; L275-I279 WeakPolarHBondContact O-CG1 3.31Å; L275-I279 PolarHBondContact O-N 2.74Å |
| 276 | I | 82.8 | Confident | 75.5 | Confident | 95 Ų | 95 | 93.7 Ų | 93.7 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 175.9 | -69.8 | 164.5 | 0 | 0 | 0 | 110.8 | I272 V273 I279 K280 | I272-I276 HydrophobicContact CG2-CD1 3.83Å; I272-I276 VanDerWaalsContact O-CG1 3.27Å; I272-I276 WeakPolarHBondContact O-CG1 3.21Å; I272-I276 PolarHBondContact O-N 2.89Å; V273-I276 PolarHBondContact O-N 2.87Å; I276-I279 PolarHBondContact O-N 3.44Å; I276-K280 WeakPolarHBondContact O-CG 3.42Å; I276-K280 PolarHBondContact O-N 3.11Å |
| 277 | V | 79.2 | Confident | 73.8 | Confident | 77 Ų | 77 | 96.2 Ų | 96.2 | 47% | 0.467 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 177 | 169.6 | 0 | 0 | 0 | 0 | 111 | V273 A274 K280 L281 | V273-V277 HydrophobicContact CG1-CG2 4.43Å; V273-V277 WeakPolarHBondContact O-CG2 3.49Å; V273-V277 PolarHBondContact O-N 3.49Å; A274-V277 PolarHBondContact O-N 3.22Å; V277-K280 PolarHBondContact O-N 2.91Å; V277-L281 HydrophobicContact CG1-CD1 3.81Å; V277-L281 WeakPolarHBondContact O-CB 3.47Å; V277-L281 PolarHBondContact O-N 3.26Å |
| 278 | Y | 80.4 | Confident | 71.8 | Confident | 150 Ų | 150 | 101.4 Ų | 101.4 | 59% | 0.588 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.5 | -43.7 | 175.5 | 178.8 | -96.5 | 0 | 0 | 0 | 112.5 | A274 L275 K280 L281 T282 | A274-Y278 VanDerWaalsContact O-CB 3.31Å; A274-Y278 WeakPolarHBondContact O-CB 3.44Å; A274-Y278 PolarHBondContact O-N 2.93Å; L275-Y278 PolarHBondContact O-N 3.41Å; Y278-K280 VanDerWaalsContact C-N 3.33Å; Y278-K280 PolarHBondContact O-N 3.19Å; Y278-L281 PolarHBondContact O-N 3.01Å; Y278-T282 HydrophobicContact CD1-CG2 4.48Å; Y278-T282 HydrophobicContact CE1-CG2 3.95Å; Y278-T282 HydrophobicContact CE2-CG2 4.07Å; Y278-T282 PolarHBondContact O-N 2.97Å; Y278-T282 PolarHBondContact O-OG1 2.92Å |
| 279 | I | 77.4 | Confident | 69.7 | Low | 86 Ų | 86 | 101.7 Ų | 101.7 | 44% | 0.441 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.1 | -38.7 | 175.4 | -69.4 | 165.1 | 0 | 0 | 0 | 110.6 | L275 I276 T282 V283 | L275-I279 HydrophobicContact CD2-CD1 4.13Å; L275-I279 HydrophobicContact CG-CD1 4.27Å; L275-I279 WeakPolarHBondContact O-CB 3.19Å; L275-I279 WeakPolarHBondContact O-CD1 3.38Å; L275-I279 WeakPolarHBondContact O-CG1 3.31Å; L275-I279 PolarHBondContact O-N 2.74Å; I276-I279 PolarHBondContact O-N 3.44Å; I279-T282 WeakPolarHBondContact CA-OG1 3.44Å; I279-T282 PolarHBondContact O-OG1 2.85Å; I279-V283 HydrophobicContact CG2-CG2 4.45Å; I279-V283 WeakPolarHBondContact O-CB 3.23Å; I279-V283 WeakPolarHBondContact O-CG2 3.42Å; I279-V283 PolarHBondContact O-N 3.46Å |
| 280 | K | 74.1 | Confident | 67.8 | Low | 149 Ų | 149 | 101.3 Ų | 101.3 | 65% | 0.648 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.6 | -44.2 | 174.9 | -74.3 | -71.7 | -176.8 | 175.6 | 0 | 112.2 | I276 V277 Y278 V283 V284 | I276-K280 WeakPolarHBondContact O-CG 3.42Å; I276-K280 PolarHBondContact O-N 3.11Å; V277-K280 PolarHBondContact O-N 2.91Å; Y278-K280 VanDerWaalsContact C-N 3.33Å; Y278-K280 PolarHBondContact O-N 3.19Å; K280-V283 PolarHBondContact O-N 2.97Å; K280-V284 WeakPolarHBondContact O-CG2 3.38Å; K280-V284 PolarHBondContact O-N 3.32Å |
| 281 | L | 68.1 | Low | 65.5 | Low | 117 Ų | 117 | 104.4 Ų | 104.4 | 61% | 0.613 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.4 | -42.7 | 176.9 | -82.6 | 158.5 | 0 | 0 | 0 | 112.7 | V277 Y278 V284 G285 | V277-L281 HydrophobicContact CG1-CD1 3.81Å; V277-L281 WeakPolarHBondContact O-CB 3.47Å; V277-L281 PolarHBondContact O-N 3.26Å; Y278-L281 PolarHBondContact O-N 3.01Å; L281-V284 PolarHBondContact O-N 3.4Å; L281-G285 PolarHBondContact O-N 3.01Å |
| 282 | T | 65.3 | Low | 62.9 | Low | 62 Ų | 62 | 106.1 Ų | 106.1 | 38% | 0.38 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -71.3 | -31.9 | 177.8 | 42.6 | 0 | 0 | 0 | 0 | 113.1 | Y278 I279 H286 | Y278-T282 HydrophobicContact CD1-CG2 4.48Å; Y278-T282 HydrophobicContact CE1-CG2 3.95Å; Y278-T282 HydrophobicContact CE2-CG2 4.07Å; Y278-T282 PolarHBondContact O-N 2.97Å; Y278-T282 PolarHBondContact O-OG1 2.92Å; I279-T282 WeakPolarHBondContact CA-OG1 3.44Å; I279-T282 PolarHBondContact O-OG1 2.85Å; T282-H286 PolarHBondContact O-N 3.12Å |
| 283 | V | 63.4 | Low | 60.2 | Low | 94 Ų | 94 | 104.7 Ų | 104.7 | 57% | 0.57 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70.3 | -36.4 | 172.2 | 169.3 | 0 | 0 | 0 | 0 | 112 | I279 K280 | I279-V283 HydrophobicContact CG2-CG2 4.45Å; I279-V283 WeakPolarHBondContact O-CB 3.23Å; I279-V283 WeakPolarHBondContact O-CG2 3.42Å; I279-V283 PolarHBondContact O-N 3.46Å; K280-V283 PolarHBondContact O-N 2.97Å |
| 284 | V | 55.5 | Low | 58.3 | Low | 93 Ų | 93 | 106.8 Ų | 106.8 | 56% | 0.564 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -69.5 | -46.8 | 173.7 | 170.8 | 0 | 0 | 0 | 0 | 111 | K280 L281 H286 C287 | K280-V284 WeakPolarHBondContact O-CG2 3.38Å; K280-V284 PolarHBondContact O-N 3.32Å; L281-V284 PolarHBondContact O-N 3.4Å; V284-H286 PolarHBondContact O-N 3.33Å; V284-H286 VanDerWaalsContact O-N 3.12Å; V284-C287 PolarHBondContact O-N 2.86Å |
| 285 | G | 51.4 | Low | 55.8 | Low | 49 Ų | 49 | 110.3 Ų | 110.3 | 51% | 0.505 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -66.9 | -10.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | L281 | L281-G285 PolarHBondContact O-N 3.01Å |
| 286 | H | 45.6 | Very low | 53.4 | Low | 172 Ų | 172 | 108.9 Ų | 108.9 | 80% | 0.796 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | 0.1 | 172 | -135.1 | 64.4 | 0 | 0 | 0 | 113.6 | T282 V284 | T282-H286 PolarHBondContact O-N 3.12Å; V284-H286 PolarHBondContact O-N 3.33Å; V284-H286 VanDerWaalsContact O-N 3.12Å |
| 287 | C | 46.6 | Very low | 50.9 | Low | 109 Ų | 109 | 115.7 Ų | 115.7 | 74% | 0.736 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | -14.9 | 172.6 | -68.5 | 0 | 0 | 0 | 0 | 113.7 | V284 G289 | V284-C287 PolarHBondContact O-N 2.86Å; C287-G289 PolarHBondContact O-N 3.23Å |
| 288 | E | 41.4 | Very low | 48.6 | Very low | 171 Ų | 171 | 122.2 Ų | 122.2 | 80% | 0.799 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -87.6 | 29.1 | 169.3 | -87.2 | -179.8 | 113.9 | 0 | 0 | 112.6 | ||
| 289 | G | 40.3 | Very low | 46.2 | Very low | 74 Ų | 74 | 124 Ų | 124 | 76% | 0.763 | 71% | 0.713 | S | S | * | * | trans | -102.2 | 20.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | C287 | C287-G289 PolarHBondContact O-N 3.23Š| ||
| 290 | A | 46.3 | Very low | 43.9 | Very low | 80 Ų | 80 | 125.2 Ų | 125.2 | 66% | 0.661 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -138.2 | 143.8 | 175 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 291 | D | 36.1 | Very low | 41.8 | Very low | 154 Ų | 154 | 123 Ų | 123 | 82% | 0.824 | 73% | 0.732 | S | S | * | * | trans | 58.8 | 95.5 | 178.4 | -61.1 | -24.3 | 0 | 0 | 0 | 117.2 | ||||
| 292 | T | 31.2 | Very low | 40 | Very low | 158 Ų | 158 | 127.7 Ų | 127.7 | 97% | 0.969 | 74% | 0.742 | S | S | * | * | -161.5 | 109.5 | 113.9 | 13.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 293 | G | 30.7 | Very low | 38.3 | Very low | 72 Ų | 72 | 131.2 Ų | 131.2 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | trans | -148.6 | 168.5 | 144.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 294 | P | 41.9 | Very low | 36.7 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | cis | -127.5 | 167.8 | -3.7 | 39.1 | -24.4 | 0 | 0 | 0 | 113.8 | ||||
| 295 | S | 31.4 | Very low | 35.5 | Very low | 131 Ų | 131 | 134.7 Ų | 134.7 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | trans | -82.6 | 129.8 | 157.3 | -173 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 296 | G | 31.4 | Very low | 34.5 | Very low | 69 Ų | 69 | 138.6 Ų | 138.6 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | -97 | 172.8 | -156.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 297 | R | 30.5 | Very low | 33.8 | Very low | 238 Ų | 238 | 137 Ų | 137 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | trans | -142 | 125.1 | 157.4 | -153.1 | 176.3 | -166.9 | -170.3 | 5.5 | 112.4 | ||||
| 298 | R | 31.8 | Very low | 33.1 | Very low | 215 Ų | 215 | 138 Ų | 138 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | 82.6 | 117.2 | 163.3 | -85.6 | -178.2 | 169.2 | 179.8 | -1.8 | 121.4 | ||||
| 299 | K | 30.3 | Very low | 32.4 | Very low | 187 Ų | 187 | 133.6 Ų | 133.6 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | 88.9 | 99.2 | 133.8 | -78.1 | -169.3 | 172.6 | -170.4 | 0 | 120.7 | ||||
| 300 | S | 29.2 | Very low | 31.9 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | 115.5 | 135.6 | 105 | -159.5 | 0 | 0 | 0 | 0 | 119 | |||||
| 301 | S | 29.9 | Very low | 31.3 | Very low | 103 Ų | 103 | 143.2 Ų | 143.2 | 72% | 0.72 | 81% | 0.81 | S | S | * | * | trans | 78.2 | 101.9 | 158 | -97.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 302 | R | 29.4 | Very low | 31 | Very low | 215 Ų | 215 | 139.2 Ų | 139.2 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | 50.4 | 123.7 | 125.5 | -79.7 | -169 | 174.2 | 137.7 | 3.4 | 122.6 | |||||
| 303 | N | 30.5 | Very low | 31.6 | Very low | 135 Ų | 135 | 140.3 Ų | 140.3 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | trans | 70.5 | 152 | 133.8 | -58.5 | 11.2 | 0 | 0 | 0 | 118.5 | ||||
| 304 | Q | 29.9 | Very low | 31.7 | Very low | 172 Ų | 172 | 145.1 Ų | 145.1 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | cis | -175.1 | 121.4 | -24.3 | 172.6 | 177.8 | 35.9 | 0 | 0 | 107.9 | ||||
| 305 | A | 30.1 | Very low | 31.4 | Very low | 88 Ų | 88 | 143.5 Ų | 143.5 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | 59 | 168.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 306 | T | 30 | Very low | 31.7 | Very low | 131 Ų | 131 | 144.3 Ų | 144.3 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | cis | -158.5 | 154.1 | 5.2 | -20.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 307 | D | 30.6 | Very low | 32 | Very low | 139 Ų | 139 | 151 Ų | 151 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | trans | 80 | 146.3 | 137.5 | -139.9 | 12.2 | 0 | 0 | 0 | 126 | ||||
| 308 | T | 31.4 | Very low | 32.4 | Very low | 129 Ų | 129 | 146 Ų | 146 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | 57.9 | 135.6 | 157.2 | 44.8 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 309 | G | 26.8 | Very low | 32.6 | Very low | 80 Ų | 80 | 140 Ų | 140 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | 167.8 | 111.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 310 | A | 30.5 | Very low | 32.9 | Very low | 100 Ų | 100 | 137.9 Ų | 137.9 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | -82.2 | 149.1 | -169.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 311 | R | 32.8 | Very low | 33.1 | Very low | 255 Ų | 255 | 140.1 Ų | 140.1 | 96% | 0.962 | 80% | 0.797 | S | S | * | * | 50.7 | 119.5 | 128.1 | -166.2 | -176.1 | -160.9 | 166.8 | 5.4 | 120.6 | |||||
| 312 | G | 31.5 | Very low | 33.4 | Very low | 70 Ų | 70 | 143 Ų | 143 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | 161.9 | 122.8 | 152.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 313 | D | 42.8 | Very low | 33.6 | Very low | 182 Ų | 182 | 137.8 Ų | 137.8 | 97% | 0.973 | 80% | 0.799 | S | S | * | * | trans | -73.9 | 128.4 | 167.5 | -73.6 | -52 | 0 | 0 | 0 | 110 | ||||
| 314 | E | 32.8 | Very low | 34.1 | Very low | 173 Ų | 173 | 137.7 Ų | 137.7 | 81% | 0.808 | 80% | 0.804 | S | S | * | * | trans | -115.4 | 113.9 | -178.9 | -165.4 | 171.5 | -136.4 | 0 | 0 | 111.6 | ||||
| 315 | A | 34.9 | Very low | 34.2 | Very low | 89 Ų | 89 | 141.6 Ų | 141.6 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | trans | -91.2 | 108.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y317 | A315-Y317 PolarHBondContact O-N 2.88Š| ||
| 316 | N | 38.9 | Very low | 34.4 | Very low | 149 Ų | 149 | 146.2 Ų | 146.2 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | trans | -78.6 | 120.4 | 178.7 | -96.4 | -59.2 | 0 | 0 | 0 | 112.5 | ||||
| 317 | Y | 37.3 | Very low | 34.6 | Very low | 208 Ų | 208 | 145.8 Ų | 145.8 | 82% | 0.816 | 81% | 0.813 | S | S | * | * | trans | -105.6 | 144.3 | 166.7 | 55.3 | -92.3 | 0 | 0 | 0 | 110.4 | A315 | A315-Y317 PolarHBondContact O-N 2.88Š| ||
| 318 | V | 38.7 | Very low | 34.6 | Very low | 135 Ų | 135 | 148.7 Ų | 148.7 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -111.8 | 120.8 | 178.4 | 178.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 319 | A | 36.9 | Very low | 34.5 | Very low | 89 Ų | 89 | 146 Ų | 146 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 130.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 320 | L | 36.6 | Very low | 34.7 | Very low | 142 Ų | 142 | 149.6 Ų | 149.6 | 74% | 0.743 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -85 | 119.8 | 174.7 | -81.8 | 163.4 | 0 | 0 | 0 | 110.8 | F322 | L320-F322 HydrophobicContact CB-CD2 4.49Å; L320-F322 HydrophobicContact CB-CE2 3.83Å; L320-F322 HydrophobicContact CB-CZ 4.24Å; L320-F322 HydrophobicContact CD1-CZ 4.46Å |
| 321 | N | 32.9 | Very low | 34.8 | Very low | 159 Ų | 159 | 154 Ų | 154 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 118.8 | 176.3 | -168.8 | 1.2 | 0 | 0 | 0 | 110.3 | ||
| 322 | F | 35.5 | Very low | 34.7 | Very low | 163 Ų | 163 | 151.5 Ų | 151.5 | 72% | 0.715 | 82% | 0.818 | S | S | * | * | trans | -103.1 | 107.4 | -178.2 | -70.8 | -81.7 | 0 | 0 | 0 | 111.7 | L320 T324 | L320-F322 HydrophobicContact CB-CD2 4.49Å; L320-F322 HydrophobicContact CB-CE2 3.83Å; L320-F322 HydrophobicContact CB-CZ 4.24Å; L320-F322 HydrophobicContact CD1-CZ 4.46Å; F322-T324 PolarHBondContact O-N 3.27Å | ||
| 323 | A | 35.1 | Very low | 34.5 | Very low | 105 Ų | 105 | 158.7 Ų | 158.7 | 87% | 0.868 | 82% | 0.824 | S | S | * | * | trans | -69.6 | 114.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 324 | T | 39.4 | Very low | 34 | Very low | 134 Ų | 134 | 156.4 Ų | 156.4 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | trans | -84.6 | 120.1 | 176.7 | 37.9 | 0 | 0 | 0 | 0 | 111.6 | F322 | F322-T324 PolarHBondContact O-N 3.27Š| ||
| 325 | R | 33.4 | Very low | 33.9 | Very low | 254 Ų | 254 | 156.4 Ų | 156.4 | 96% | 0.958 | 81% | 0.81 | S | S | * | * | trans | -100 | 98.3 | 173.1 | -134 | -179.7 | -167.2 | -175.4 | 6 | 110.3 | ||||
| 326 | K | 34.5 | Very low | 33.7 | Very low | 184 Ų | 184 | 157.3 Ų | 157.3 | 80% | 0.8 | 81% | 0.811 | S | S | * | * | trans | -92.7 | 127.5 | 164.9 | -66.1 | -173.4 | 177.5 | 178.8 | 0 | 109.5 | ||||
| 327 | T | 33.9 | Very low | 34.1 | Very low | 123 Ų | 123 | 155.8 Ų | 155.8 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | 146.8 | 157.3 | 107.2 | 50.7 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 328 | K | 30.8 | Very low | 34.3 | Very low | 200 Ų | 200 | 150.9 Ų | 150.9 | 87% | 0.87 | 80% | 0.803 | S | S | * | * | cis | -130.9 | 164.4 | -0.2 | -75.7 | 107.7 | 170.2 | -169.1 | 0 | 106.7 | ||||
| 329 | G | 28.6 | Very low | 33.8 | Very low | 72 Ų | 72 | 153 Ų | 153 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | cis | 136.6 | 112.8 | -0 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 330 | V | 29.9 | Very low | 33.3 | Very low | 155 Ų | 155 | 153.9 Ų | 153.9 | 94% | 0.939 | 80% | 0.803 | S | S | * | * | trans | -134.9 | 140.2 | 161.8 | 174.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 331 | K | 33.5 | Very low | 33.1 | Very low | 192 Ų | 192 | 153.4 Ų | 153.4 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -95.2 | 149.7 | -168.4 | -73.6 | 172.4 | 169 | 173.9 | 0 | 113.9 | ||||
| 332 | K | 30.2 | Very low | 33.1 | Very low | 203 Ų | 203 | 156.3 Ų | 156.3 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | -162.5 | 108.3 | 114.2 | -99.4 | 170.5 | -180 | -177.7 | 0 | 107.4 | |||||
| 333 | R | 28.2 | Very low | 33 | Very low | 222 Ų | 222 | 154.1 Ų | 154.1 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | 46.3 | 113 | 106.1 | -93.8 | -164.9 | 168.1 | -176.9 | -4.5 | 112.9 | |||||
| 334 | I | 31.4 | Very low | 32.8 | Very low | 134 Ų | 134 | 152 Ų | 152 | 69% | 0.687 | 80% | 0.8 | S | S | * | * | 59.7 | 124.6 | 58.6 | -52.8 | 166.9 | 0 | 0 | 0 | 108.9 | |||||
| 335 | E | 30.9 | Very low | 32.5 | Very low | 173 Ų | 173 | 152.4 Ų | 152.4 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | cis | -148.5 | 175.4 | 30.3 | -127 | 127.7 | -158.4 | 0 | 0 | 107.9 | ||||
| 336 | S | 31.3 | Very low | 32.4 | Very low | 108 Ų | 108 | 155 Ų | 155 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | cis | -167.7 | 158.7 | 25.6 | 30.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 337 | P | 46.8 | Very low | 32.3 | Very low | 117 Ų | 117 | 153.5 Ų | 153.5 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | trans | -98.1 | -178.6 | 179.1 | 43.2 | -37.8 | 0 | 0 | 0 | 113.1 | ||||
| 338 | P | 41.7 | Very low | 32.2 | Very low | 105 Ų | 105 | 155.1 Ų | 155.1 | 68% | 0.682 | 82% | 0.815 | S | S | * | * | -153.1 | 178.1 | 90.2 | 43.1 | -25 | 0 | 0 | 0 | 117.1 | |||||
| 339 | E | 29.1 | Very low | 32.3 | Very low | 178 Ų | 178 | 152.6 Ų | 152.6 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | 60.9 | 147.6 | 149.5 | -74.5 | 171.9 | -164.8 | 0 | 0 | 121.6 | ||||
| 340 | C | 26.5 | Very low | 32.5 | Very low | 108 Ų | 108 | 157.4 Ų | 157.4 | 73% | 0.73 | 82% | 0.816 | S | S | * | * | cis | -162.4 | 168.3 | 4.1 | -122.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 341 | V | 32.4 | Very low | 32.6 | Very low | 132 Ų | 132 | 157.5 Ų | 157.5 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | cis | -156.5 | -166.7 | -6.8 | 80.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 342 | Y | 32.5 | Very low | 32.6 | Very low | 221 Ų | 221 | 155.2 Ų | 155.2 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | trans | -103 | 158.7 | -172.9 | -94.6 | -101.6 | 0 | 0 | 0 | 117.2 | ||||
| 343 | S | 33.4 | Very low | 32.8 | Very low | 116 Ų | 116 | 151.8 Ų | 151.8 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | -147.8 | 134.5 | 124.5 | 55.5 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 344 | G | 30.8 | Very low | 33.1 | Very low | 61 Ų | 61 | 146.4 Ų | 146.4 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | 85.6 | 135.6 | 52.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 345 | V | 32.5 | Very low | 33.2 | Very low | 143 Ų | 143 | 147.4 Ų | 147.4 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | cis | -145.7 | 141.1 | 3.7 | 174.2 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 346 | R | 31.1 | Very low | 33.5 | Very low | 307 Ų | 307 | 145.1 Ų | 145.1 | 100% | 1.158 | 81% | 0.808 | S | S | * | * | cis | -147.7 | 0 | 48.7 | -162.6 | 171 | -167 | 143.7 | 4 | 113.6 |
Retrieved 346 of 346 residues in 138.5 ms
(Link to these results)