| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 60.1 | Low | 84.8 | Confident | 212 Ų | 212 | 110 Ų | 110 | 100% | 1.044 | 60% | 0.603 | S | S | * | * | 0 | -44 | 0 | -71 | -173.7 | -80.8 | 0 | 0 | 113.2 | K3 F4 A5 | M1-K3 PolarHBondContact O-N 2.62Å; M1-F4 PolarHBondContact O-N 2.82Å; M1-A5 PolarHBondContact O-N 3.05Å | |||
| 2 | G | 71.9 | Confident | 85.6 | Confident | 49 Ų | 49 | 105.3 Ų | 105.3 | 51% | 0.505 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -60.1 | -39 | -178.2 | 0 | 0 | 0 | 0 | 0 | 117 | A5 I6 | G2-A5 PolarHBondContact O-N 2.89Å; G2-I6 VanDerWaalsContact O-CG1 3.28Å; G2-I6 WeakPolarHBondContact O-CG1 3.34Å; G2-I6 PolarHBondContact O-N 2.98Å |
| 3 | K | 76.7 | Confident | 86.2 | Confident | 176 Ų | 176 | 100.9 Ų | 100.9 | 77% | 0.765 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.1 | -39.9 | -179.7 | -69 | -176.1 | 177.2 | -177.6 | 0 | 113.5 | M1 I6 I7 | M1-K3 PolarHBondContact O-N 2.62Å; K3-I6 PolarHBondContact O-N 2.99Å; K3-I7 WeakPolarHBondContact O-CG1 3.32Å; K3-I7 PolarHBondContact O-N 3.44Å; K3-I7 VanDerWaalsContact O-N 3.1Å |
| 4 | F | 82.7 | Confident | 86.7 | Confident | 164 Ų | 164 | 101.1 Ų | 101.1 | 72% | 0.719 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.1 | -41 | 175.8 | -77 | -74.8 | 0 | 0 | 0 | 111.4 | M1 I6 I7 S8 | M1-F4 PolarHBondContact O-N 2.82Å; F4-I6 PolarHBondContact O-N 2.88Å; F4-I7 PolarHBondContact O-N 2.83Å; F4-S8 WeakPolarHBondContact O-CB 3.4Å; F4-S8 PolarHBondContact O-N 2.87Å; F4-S8 PolarHBondContact O-OG 3.04Å; F4-S8 VanDerWaalsContact O-OG 3.08Å |
| 5 | A | 86.9 | Confident | 87.2 | Confident | 50 Ų | 50 | 98.9 Ų | 98.9 | 41% | 0.413 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.9 | -42.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | M1 G2 S8 I9 | M1-A5 PolarHBondContact O-N 3.05Å; G2-A5 PolarHBondContact O-N 2.89Å; A5-S8 PolarHBondContact O-N 3.13Å; A5-I9 WeakPolarHBondContact O-CB 3.38Å; A5-I9 WeakPolarHBondContact O-CD1 3.37Å; A5-I9 VanDerWaalsContact O-CG1 3.23Å; A5-I9 WeakPolarHBondContact O-CG1 3.27Å; A5-I9 PolarHBondContact O-N 3.48Å |
| 6 | I | 89.8 | Confident | 87.6 | Confident | 117 Ų | 117 | 99 Ų | 99 | 60% | 0.6 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.6 | -45.4 | 176.8 | -67.4 | 164.4 | 0 | 0 | 0 | 111.3 | G2 K3 F4 I9 A10 | G2-I6 VanDerWaalsContact O-CG1 3.28Å; G2-I6 WeakPolarHBondContact O-CG1 3.34Å; G2-I6 PolarHBondContact O-N 2.98Å; K3-I6 PolarHBondContact O-N 2.99Å; F4-I6 PolarHBondContact O-N 2.88Å; I6-I9 PolarHBondContact O-N 2.77Å; I6-A10 WeakPolarHBondContact O-CB 3.38Å; I6-A10 PolarHBondContact O-N 3.1Å |
| 7 | I | 91.4 | Very high | 88 | Confident | 95 Ų | 95 | 99.5 Ų | 99.5 | 49% | 0.487 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.7 | -45.3 | 177.6 | -67.7 | 167.2 | 0 | 0 | 0 | 110.7 | K3 F4 I9 A10 I11 | K3-I7 WeakPolarHBondContact O-CG1 3.32Å; K3-I7 PolarHBondContact O-N 3.44Å; K3-I7 VanDerWaalsContact O-N 3.1Å; F4-I7 PolarHBondContact O-N 2.83Å; I7-I9 PolarHBondContact O-N 3.25Å; I7-A10 PolarHBondContact O-N 3.08Å; I7-I11 HydrophobicContact CG2-CD1 3.78Å; I7-I11 HydrophobicContact CG2-CG1 4.42Å; I7-I11 WeakPolarHBondContact O-CG1 3.3Å; I7-I11 PolarHBondContact O-N 2.78Å |
| 8 | S | 92.3 | Very high | 88.2 | Confident | 74 Ų | 74 | 99.7 Ų | 99.7 | 52% | 0.517 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.9 | -42 | 177.7 | -63.7 | 0 | 0 | 0 | 0 | 112.3 | F4 A5 I11 A12 | F4-S8 WeakPolarHBondContact O-CB 3.4Å; F4-S8 PolarHBondContact O-N 2.87Å; F4-S8 PolarHBondContact O-OG 3.04Å; F4-S8 VanDerWaalsContact O-OG 3.08Å; A5-S8 PolarHBondContact O-N 3.13Å; S8-I11 PolarHBondContact O-N 2.91Å; S8-A12 WeakPolarHBondContact O-CB 3.42Å; S8-A12 PolarHBondContact O-N 2.91Å |
| 9 | I | 93.4 | Very high | 88.5 | Confident | 117 Ų | 117 | 96.2 Ų | 96.2 | 60% | 0.6 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.7 | -42.9 | 175.3 | -70.3 | 162.9 | 0 | 0 | 0 | 110.7 | A5 I6 I7 A12 A13 | A5-I9 WeakPolarHBondContact O-CB 3.38Å; A5-I9 WeakPolarHBondContact O-CD1 3.37Å; A5-I9 VanDerWaalsContact O-CG1 3.23Å; A5-I9 WeakPolarHBondContact O-CG1 3.27Å; A5-I9 PolarHBondContact O-N 3.48Å; I6-I9 PolarHBondContact O-N 2.77Å; I7-I9 PolarHBondContact O-N 3.25Å; I9-A12 PolarHBondContact O-N 3.13Å; I9-A13 WeakPolarHBondContact O-CB 3.28Å; I9-A13 PolarHBondContact O-N 3.43Å |
| 10 | A | 92.4 | Very high | 88.8 | Confident | 56 Ų | 56 | 96.7 Ų | 96.7 | 46% | 0.463 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.1 | -43.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I6 I7 A13 L14 | I6-A10 WeakPolarHBondContact O-CB 3.38Å; I6-A10 PolarHBondContact O-N 3.1Å; I7-A10 PolarHBondContact O-N 3.08Å; A10-A13 PolarHBondContact O-N 3.11Å; A10-L14 WeakPolarHBondContact O-CB 3.44Å; A10-L14 PolarHBondContact O-N 3.21Å |
| 11 | I | 95.3 | Very high | 88.9 | Confident | 100 Ų | 100 | 98.1 Ų | 98.1 | 51% | 0.513 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 175.5 | -68.1 | 168.2 | 0 | 0 | 0 | 110.7 | I7 S8 L14 S15 | I7-I11 HydrophobicContact CG2-CD1 3.78Å; I7-I11 HydrophobicContact CG2-CG1 4.42Å; I7-I11 WeakPolarHBondContact O-CG1 3.3Å; I7-I11 PolarHBondContact O-N 2.78Å; S8-I11 PolarHBondContact O-N 2.91Å; I11-L14 PolarHBondContact O-N 3.49Å; I11-S15 WeakPolarHBondContact O-CB 3.41Å; I11-S15 PolarHBondContact O-N 3.25Å; I11-S15 PolarHBondContact O-OG 3.24Å |
| 12 | A | 94.1 | Very high | 90.4 | Very high | 54 Ų | 54 | 92.1 Ų | 92.1 | 45% | 0.446 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S8 I9 L14 S15 V16 | S8-A12 WeakPolarHBondContact O-CB 3.42Å; S8-A12 PolarHBondContact O-N 2.91Å; I9-A12 PolarHBondContact O-N 3.13Å; A12-L14 PolarHBondContact O-N 3.29Å; A12-S15 PolarHBondContact O-N 2.97Å; A12-V16 WeakPolarHBondContact O-CG2 3.47Å; A12-V16 PolarHBondContact O-N 2.79Å |
| 13 | A | 93.7 | Very high | 91.4 | Very high | 48 Ų | 48 | 94.6 Ų | 94.6 | 40% | 0.397 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I9 A10 S15 V16 L17 | I9-A13 WeakPolarHBondContact O-CB 3.28Å; I9-A13 PolarHBondContact O-N 3.43Å; A10-A13 PolarHBondContact O-N 3.11Å; A13-S15 VanDerWaalsContact C-N 3.32Å; A13-S15 PolarHBondContact O-N 3.18Å; A13-V16 PolarHBondContact O-N 3.44Å; A13-L17 WeakPolarHBondContact O-CG 3.36Å; A13-L17 PolarHBondContact O-N 3.5Å |
| 14 | L | 94 | Very high | 92.1 | Very high | 104 Ų | 104 | 89.7 Ų | 89.7 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 176.7 | -175.1 | 66.7 | 0 | 0 | 0 | 111.7 | A10 I11 A12 V16 L17 L18 | A10-L14 WeakPolarHBondContact O-CB 3.44Å; A10-L14 PolarHBondContact O-N 3.21Å; I11-L14 PolarHBondContact O-N 3.49Å; A12-L14 PolarHBondContact O-N 3.29Å; L14-V16 VanDerWaalsContact C-N 3.35Å; L14-L17 PolarHBondContact O-N 3.05Å; L14-L18 HydrophobicContact CD1-CD1 4.48Å; L14-L18 HydrophobicContact CG-CD1 3.96Å; L14-L18 HydrophobicContact CG-CG 4.44Å; L14-L18 WeakPolarHBondContact O-CB 3.47Å; L14-L18 VanDerWaalsContact O-CG 3.26Å; L14-L18 WeakPolarHBondContact O-CG 3.31Å; L14-L18 PolarHBondContact O-N 3.2Å |
| 15 | S | 94 | Very high | 92.6 | Very high | 68 Ų | 68 | 83.2 Ų | 83.2 | 48% | 0.476 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 178.2 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | I11 A12 A13 G19 | I11-S15 WeakPolarHBondContact O-CB 3.41Å; I11-S15 PolarHBondContact O-N 3.25Å; I11-S15 PolarHBondContact O-OG 3.24Å; A12-S15 PolarHBondContact O-N 2.97Å; A13-S15 VanDerWaalsContact C-N 3.32Å; A13-S15 PolarHBondContact O-N 3.18Å; S15-G19 PolarHBondContact O-N 2.87Å |
| 16 | V | 93.9 | Very high | 93 | Very high | 100 Ų | 100 | 81.7 Ų | 81.7 | 61% | 0.606 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -64.3 | -47.5 | 174.8 | 172 | 0 | 0 | 0 | 0 | 110.8 | A12 A13 L14 L18 G19 E20 | A12-V16 WeakPolarHBondContact O-CG2 3.47Å; A12-V16 PolarHBondContact O-N 2.79Å; A13-V16 PolarHBondContact O-N 3.44Å; L14-V16 VanDerWaalsContact C-N 3.35Å; V16-L18 VanDerWaalsContact C-N 3.35Å; V16-L18 PolarHBondContact O-N 3.19Å; V16-G19 PolarHBondContact O-N 2.81Å; V16-E20 WeakPolarHBondContact O-CB 3.23Å; V16-E20 PolarHBondContact O-N 3.35Å |
| 17 | L | 92.9 | Very high | 93.2 | Very high | 107 Ų | 107 | 82.7 Ų | 82.7 | 56% | 0.56 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62.3 | -40.9 | 178.1 | -69.5 | 172 | 0 | 0 | 0 | 112.3 | A13 L14 R21 | A13-L17 WeakPolarHBondContact O-CG 3.36Å; A13-L17 PolarHBondContact O-N 3.5Å; L14-L17 PolarHBondContact O-N 3.05Å; L17-R21 WeakPolarHBondContact O-CB 3.46Å; L17-R21 PolarHBondContact O-N 3.32Å |
| 18 | L | 93.1 | Very high | 93.3 | Very high | 103 Ų | 103 | 81.2 Ų | 81.2 | 54% | 0.539 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.2 | -45.3 | 174.5 | -75.6 | 168.3 | 0 | 0 | 0 | 111.2 | L14 V16 R21 V22 | L14-L18 HydrophobicContact CD1-CD1 4.48Å; L14-L18 HydrophobicContact CG-CD1 3.96Å; L14-L18 HydrophobicContact CG-CG 4.44Å; L14-L18 WeakPolarHBondContact O-CB 3.47Å; L14-L18 VanDerWaalsContact O-CG 3.26Å; L14-L18 WeakPolarHBondContact O-CG 3.31Å; L14-L18 PolarHBondContact O-N 3.2Å; V16-L18 VanDerWaalsContact C-N 3.35Å; V16-L18 PolarHBondContact O-N 3.19Å; L18-R21 PolarHBondContact O-N 2.04Å; L18-V22 WeakPolarHBondContact O-CG2 3.32Å; L18-V22 PolarHBondContact O-N 2.84Å |
| 19 | G | 93.6 | Very high | 93.5 | Very high | 33 Ų | 33 | 78.4 Ų | 78.4 | 34% | 0.34 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60 | -46.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S15 V16 R21 V22 L23 | S15-G19 PolarHBondContact O-N 2.87Å; V16-G19 PolarHBondContact O-N 2.81Å; G19-R21 PolarHBondContact O-N 3.48Å; G19-V22 PolarHBondContact O-N 2.83Å; G19-L23 VanDerWaalsContact O-CG 3.3Å; G19-L23 WeakPolarHBondContact O-CG 3.06Å; G19-L23 PolarHBondContact O-N 2.79Å |
| 20 | E | 93.5 | Very high | 93.6 | Very high | 106 Ų | 106 | 74.1 Ų | 74.1 | 50% | 0.495 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 175.4 | -174.3 | -177.6 | 174 | 0 | 0 | 111.6 | V16 V22 L23 N24 | V16-E20 WeakPolarHBondContact O-CB 3.23Å; V16-E20 PolarHBondContact O-N 3.35Å; E20-V22 PolarHBondContact O-N 2.77Å; E20-L23 PolarHBondContact O-N 3.06Å; E20-N24 WeakPolarHBondContact O-CB 3.05Å; E20-N24 PolarHBondContact O-N 3.33Å; E20-N24 PolarHBondContact O-ND2 2.9Å |
| 21 | R | 91.2 | Very high | 93.8 | Very high | 127 Ų | 127 | 73.5 Ų | 73.5 | 48% | 0.479 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 177.1 | -176.2 | 62.9 | 179.6 | -170.3 | 5 | 111.6 | L17 L18 G19 L23 N24 I25 L197 | L17-R21 WeakPolarHBondContact O-CB 3.46Å; L17-R21 PolarHBondContact O-N 3.32Å; L18-R21 PolarHBondContact O-N 2.04Å; G19-R21 PolarHBondContact O-N 3.48Å; R21-L23 VanDerWaalsContact C-N 3.34Å; R21-L23 PolarHBondContact O-N 2.86Å; R21-N24 PolarHBondContact O-N 2.8Å; R21-I25 HydrophobicContact CG-CD1 3.96Å; R21-I25 WeakPolarHBondContact O-CB 3.25Å; R21-I25 VanDerWaalsContact O-CG1 3.29Å; R21-I25 WeakPolarHBondContact O-CG1 3.13Å; R21-I25 PolarHBondContact O-N 3.08Å; R21-L197 PolarHBondContact NH2-O 2.84Å |
| 22 | V | 92.3 | Very high | 93.8 | Very high | 86 Ų | 86 | 76.3 Ų | 76.3 | 52% | 0.521 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 177.3 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | L18 G19 E20 I25 S26 | L18-V22 WeakPolarHBondContact O-CG2 3.32Å; L18-V22 PolarHBondContact O-N 2.84Å; G19-V22 PolarHBondContact O-N 2.83Å; E20-V22 PolarHBondContact O-N 2.77Å; V22-I25 PolarHBondContact O-N 3.3Å; V22-S26 WeakPolarHBondContact O-CB 3.33Å; V22-S26 PolarHBondContact O-N 2.93Å; V22-S26 PolarHBondContact O-OG 2.91Å |
| 23 | L | 92.7 | Very high | 93.9 | Very high | 102 Ų | 102 | 76.1 Ų | 76.1 | 53% | 0.534 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66 | -41.7 | 177.2 | -71.1 | 168.6 | 0 | 0 | 0 | 111.9 | G19 E20 R21 S26 K27 | G19-L23 VanDerWaalsContact O-CG 3.3Å; G19-L23 WeakPolarHBondContact O-CG 3.06Å; G19-L23 PolarHBondContact O-N 2.79Å; E20-L23 PolarHBondContact O-N 3.06Å; R21-L23 VanDerWaalsContact C-N 3.34Å; R21-L23 PolarHBondContact O-N 2.86Å; L23-S26 PolarHBondContact O-N 3.33Å; L23-K27 WeakPolarHBondContact O-CG 3.18Å; L23-K27 PolarHBondContact O-N 3.41Å |
| 24 | N | 91.8 | Very high | 93.8 | Very high | 72 Ų | 72 | 81.2 Ų | 81.2 | 39% | 0.385 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.2 | -41.5 | 176.8 | -73.1 | -21.9 | 0 | 0 | 0 | 111.9 | E20 R21 K27 R28 | E20-N24 WeakPolarHBondContact O-CB 3.05Å; E20-N24 PolarHBondContact O-N 3.33Å; E20-N24 PolarHBondContact O-ND2 2.9Å; R21-N24 PolarHBondContact O-N 2.8Å; N24-K27 PolarHBondContact O-N 2.81Å; N24-R28 WeakPolarHBondContact O-CG 3.27Å; N24-R28 PolarHBondContact O-N 3Å |
| 25 | I | 93.2 | Very high | 93.6 | Very high | 28 Ų | 28 | 77.8 Ų | 77.8 | 14% | 0.144 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60 | -49.8 | 172.8 | -71.1 | 169.9 | 0 | 0 | 0 | 110.3 | R21 V22 K27 R28 H29 V196 L198 | R21-I25 HydrophobicContact CG-CD1 3.96Å; R21-I25 WeakPolarHBondContact O-CB 3.25Å; R21-I25 VanDerWaalsContact O-CG1 3.29Å; R21-I25 WeakPolarHBondContact O-CG1 3.13Å; R21-I25 PolarHBondContact O-N 3.08Å; V22-I25 PolarHBondContact O-N 3.3Å; I25-K27 VanDerWaalsContact C-N 3.29Å; I25-K27 PolarHBondContact O-N 3.35Å; I25-R28 PolarHBondContact O-N 2.63Å; I25-R28 VanDerWaalsContact O-N 3.12Å; I25-H29 PolarHBondContact O-CD2 2.91Å; I25-H29 VanDerWaalsContact O-CD2 3.25Å; I25-H29 PolarHBondContact O-N 3.15Å; I25-V196 WeakPolarHBondContact CG2-O 3.27Å; I25-L198 HydrophobicContact CB-CD1 4.45Å; I25-L198 HydrophobicContact CG1-CD1 3.96Å; I25-L198 HydrophobicContact CG1-CG 4.4Å |
| 26 | S | 94.2 | Very high | 93.6 | Very high | 18 Ų | 18 | 77.4 Ų | 77.4 | 13% | 0.126 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -56.7 | -41.5 | 178.7 | -61.4 | 0 | 0 | 0 | 0 | 112.6 | V22 L23 H29 L30 I31 | V22-S26 WeakPolarHBondContact O-CB 3.33Å; V22-S26 PolarHBondContact O-N 2.93Å; V22-S26 PolarHBondContact O-OG 2.91Å; L23-S26 PolarHBondContact O-N 3.33Å; S26-H29 PolarHBondContact O-N 3.49Å; S26-L30 PolarHBondContact O-N 2.85Å; S26-I31 VanDerWaalsContact CB-CD1 3.45Å; S26-I31 PolarHBondContact O-N 2.84Å; S26-I31 WeakPolarHBondContact OG-CD1 3.47Å |
| 27 | K | 94 | Very high | 93.7 | Very high | 138 Ų | 138 | 76.4 Ų | 76.4 | 60% | 0.6 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -66.5 | -44.1 | 175.6 | -73.7 | 175 | -177.7 | 178.3 | 0 | 112.1 | L23 N24 I25 H29 L30 | L23-K27 WeakPolarHBondContact O-CG 3.18Å; L23-K27 PolarHBondContact O-N 3.41Å; N24-K27 PolarHBondContact O-N 2.81Å; I25-K27 VanDerWaalsContact C-N 3.29Å; I25-K27 PolarHBondContact O-N 3.35Å; K27-H29 VanDerWaalsContact C-N 3.27Å; K27-H29 PolarHBondContact O-N 3.39Å; K27-L30 WeakPolarHBondContact O-CD2 3.36Å; K27-L30 PolarHBondContact O-N 2.9Å |
| 28 | R | 94.4 | Very high | 93.9 | Very high | 65 Ų | 65 | 76 Ų | 76 | 25% | 0.245 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.9 | -27.5 | 178.2 | -73.4 | -78.6 | -71.1 | -148.8 | -5.1 | 112.9 | N24 I25 L30 L198 H220 L240 N241 H242 | N24-R28 WeakPolarHBondContact O-CG 3.27Å; N24-R28 PolarHBondContact O-N 3Å; I25-R28 PolarHBondContact O-N 2.63Å; I25-R28 VanDerWaalsContact O-N 3.12Å; R28-L30 VanDerWaalsContact C-N 3.3Å; R28-L198 HydrophobicContact CB-CD1 3.54Å; R28-L198 HydrophobicContact CB-CD2 3.98Å; R28-L198 HydrophobicContact CB-CG 4.43Å; R28-L198 HydrophobicContact CG-CD1 3.74Å; R28-H220 PolarHBondContact NH2-CE1 2.91Å; R28-H220 PolarHBondContact NH2-ND1 3.21Å; R28-L240 PolarHBondContact NE-O 3.19Å; R28-L240 PolarHBondContact NH2-O 2.81Å; R28-N241 PolarHBondContact NH1-OD1 2.86Å; R28-N241 PolarHBondContact NH2-OD1 2.91Å; R28-N241 VanDerWaalsContact NH2-OD1 3.11Å; R28-H242 PolarHBondContact O-CE1 2.8Å; R28-H242 VanDerWaalsContact O-CE1 3.24Å; R28-H242 PolarHBondContact O-NE2 2.77Å |
| 29 | H | 95.6 | Very high | 94.1 | Very high | 15 Ų | 15 | 75.6 Ų | 75.6 | 7% | 0.069 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -2.7 | 171.1 | -79.2 | -67.7 | 0 | 0 | 0 | 114.1 | I25 S26 K27 I31 I195 S287 | I25-H29 PolarHBondContact O-CD2 2.91Å; I25-H29 VanDerWaalsContact O-CD2 3.25Å; I25-H29 PolarHBondContact O-N 3.15Å; S26-H29 PolarHBondContact O-N 3.49Å; K27-H29 VanDerWaalsContact C-N 3.27Å; K27-H29 PolarHBondContact O-N 3.39Å; H29-I31 HydrophobicContact CB-CG2 3.47Å; H29-I31 VanDerWaalsContact CB-CG2 3.47Å; H29-I31 PolarHBondContact O-N 3.01Å; H29-I31 VanDerWaalsContact O-N 3.13Å; H29-I195 PolarHBondContact CE1-O 3.47Å; H29-I195 PolarHBondContact NE2-O 2.64Å; H29-S287 VanDerWaalsContact CB-OG 3.24Å; H29-S287 WeakPolarHBondContact CB-OG 3.35Å; H29-S287 PolarHBondContact ND1-OG 2.83Å; H29-S287 VanDerWaalsContact ND1-OG 3.09Å; H29-S287 WeakPolarHBondContact O-CB 3.47Å; H29-S287 PolarHBondContact O-N 2.8Å; H29-S287 PolarHBondContact O-OG 2.61Å |
| 30 | L | 96.9 | Very high | 94.3 | Very high | 26 Ų | 26 | 75.4 Ų | 75.4 | 14% | 0.136 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 34.8 | -176.6 | -58.8 | 179.1 | 0 | 0 | 0 | 112.9 | S26 K27 R28 F32 R33 L266 N286 | S26-L30 PolarHBondContact O-N 2.85Å; K27-L30 WeakPolarHBondContact O-CD2 3.36Å; K27-L30 PolarHBondContact O-N 2.9Å; R28-L30 VanDerWaalsContact C-N 3.3Å; L30-F32 PolarHBondContact O-N 2.72Å; L30-R33 HydrophobicContact CB-CB 3.82Å; L30-R33 WeakPolarHBondContact O-CB 3.38Å; L30-R33 PolarHBondContact O-N 3.3Å; L30-L266 HydrophobicContact CB-CD1 4.18Å; L30-L266 HydrophobicContact CD1-CD1 4.08Å; L30-L266 HydrophobicContact CD1-CG 3.76Å; L30-L266 HydrophobicContact CG-CD1 4.37Å; L30-L266 HydrophobicContact CG-CG 4.29Å; L30-N286 PolarHBondContact O-ND2 2.96Å |
| 31 | I | 95.8 | Very high | 94.5 | Very high | 44 Ų | 44 | 73 Ų | 73 | 23% | 0.226 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -15.3 | -170.7 | 72.2 | 174.5 | 0 | 0 | 0 | 114.2 | S26 H29 N286 K288 | S26-I31 VanDerWaalsContact CB-CD1 3.45Å; S26-I31 PolarHBondContact O-N 2.84Å; S26-I31 WeakPolarHBondContact OG-CD1 3.47Å; H29-I31 HydrophobicContact CB-CG2 3.47Å; H29-I31 VanDerWaalsContact CB-CG2 3.47Å; H29-I31 PolarHBondContact O-N 3.01Å; H29-I31 VanDerWaalsContact O-N 3.13Å; I31-N286 PolarHBondContact O-ND2 2.65Å; I31-K288 HydrophobicContact CB-CB 4.08Å; I31-K288 HydrophobicContact CG2-CB 3.95Å |
| 32 | F | 94.2 | Very high | 94.7 | Very high | 158 Ų | 158 | 72.5 Ų | 72.5 | 69% | 0.693 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | 2.2 | 177.2 | -54.3 | -65.3 | 0 | 0 | 0 | 112.7 | L30 | L30-F32 PolarHBondContact O-N 2.72Š|
| 33 | R | 96.1 | Very high | 94.9 | Very high | 50 Ų | 50 | 70.4 Ų | 70.4 | 19% | 0.189 | 36% | 0.362 | C | S | . | . | trans | -76.5 | 133.5 | -178.8 | -175.4 | 174.6 | 178.3 | -123.6 | 1 | 109.5 | L30 S265 I285 N286 E302 | L30-R33 HydrophobicContact CB-CB 3.82Å; L30-R33 WeakPolarHBondContact O-CB 3.38Å; L30-R33 PolarHBondContact O-N 3.3Å; R33-S265 PolarHBondContact NH1-OG 2.93Å; R33-I285 WeakPolarHBondContact CD-O 3.36Å; R33-I285 HydrophobicContact CG-CG2 4.16Å; R33-N286 PolarHBondContact O-ND2 3.34Å; R33-E302 IonicContact CZ-OE1 2.75Å; R33-E302 IonicContact CZ-OE2 2.76Å; R33-E302 VanDerWaalsContact CZ-OE2 3.31Å; R33-E302 IonicContact NH1-OE2 3.9Å; R33-E302 PolarHBondContact NH1-OE2 2.81Å; R33-E302 IonicContact NH2-OE1 3.6Å; R33-E302 PolarHBondContact NH2-OE1 2.99Å; R33-E302 IonicContact NH2-OE2 3.44Å; R33-E302 PolarHBondContact NH2-OE2 2.96Å | ||
| 34 | E | 93.3 | Very high | 95 | Very high | 155 Ų | 155 | 69 Ų | 69 | 72% | 0.724 | 36% | 0.357 | S | S | * | . | trans | -133.4 | 150 | 169.6 | -63.9 | -174.2 | 168.4 | 0 | 0 | 107.5 | ||||
| 35 | V | 89.9 | Confident | 95.3 | Very high | 33 Ų | 33 | 68.1 Ų | 68.1 | 20% | 0.2 | 36% | 0.36 | C | S | . | . | trans | -133.6 | 145.2 | 176 | -63.4 | 0 | 0 | 0 | 0 | 108.6 | I285 T321 | V35-I285 HydrophobicContact CG1-CG2 4.34Å; V35-I285 HydrophobicContact CG2-CB 4.48Å; V35-I285 HydrophobicContact CG2-CD1 3.22Å; V35-I285 HydrophobicContact CG2-CG1 3.6Å; V35-I285 HydrophobicContact CG2-CG2 4.04Å; V35-T321 HydrophobicContact CB-CG2 4.38Å; V35-T321 HydrophobicContact CG2-CG2 3.87Å | ||
| 36 | G | 93.2 | Very high | 95.5 | Very high | 59 Ų | 59 | 66.9 Ų | 66.9 | 61% | 0.608 | 35% | 0.353 | S | S | * | . | trans | -71.3 | 157.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111.3 | T321 | G36-T321 WeakPolarHBondContact O-CB 3.27Å; G36-T321 PolarHBondContact O-OG1 3.25Å | ||
| 37 | N | 96.4 | Very high | 95.5 | Very high | 80 Ų | 80 | 73.8 Ų | 73.8 | 43% | 0.428 | 38% | 0.381 | S | S | . | . | trans | -70.5 | 133.1 | 177.6 | -66.3 | -24.5 | 0 | 0 | 0 | 111.1 | D322 D323 | N37-D322 WeakPolarHBondContact OD1-CA 3.28Å; N37-D323 PolarHBondContact ND2-OD2 3.05Å; N37-D323 WeakPolarHBondContact OD1-CB 3.37Å; N37-D323 PolarHBondContact OD1-N 2.85Å | ||
| 38 | K | 97.3 | Very high | 95.3 | Very high | 97 Ų | 97 | 72.5 Ų | 72.5 | 42% | 0.422 | 38% | 0.381 | S | S | . | . | B | Isolated β-bridge | trans | -133.3 | 80.6 | 173 | -175.4 | -175.1 | 174.9 | 177.5 | 0 | 106.9 | Q318 Y320 T321 | K38-Q318 PolarHBondContact NZ-O 2.92Å; K38-Y320 WeakPolarHBondContact O-CA 3.42Å; K38-T321 CarbonylContact C-O 3.55Å; K38-T321 WeakPolarHBondContact CB-OG1 3.36Å; K38-T321 PolarHBondContact N-O 2.75Å; K38-T321 PolarHBondContact N-OG1 2.91Å; K38-T321 PolarHBondContact O-N 2.83Å |
| 39 | H | 96.6 | Very high | 95.4 | Very high | 95 Ų | 95 | 69.5 Ų | 69.5 | 44% | 0.44 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 153.2 | 179.2 | -63.6 | 167.6 | 0 | 0 | 0 | 111.5 | Y320 T321 D322 | H39-Y320 HydrophobicContact CB-CE2 4.47Å; H39-Y320 AromaticContact CD2-CE2 3.82Å; H39-T321 PolarHBondContact CD2-O 2.92Å; H39-T321 VanDerWaalsContact CD2-O 3.25Å; H39-D322 IonicContact CD2-OD2 3.02Å; H39-D322 IonicContact CE1-OD2 2.7Å; H39-D322 PolarHBondContact CE1-OD2 3.24Å; H39-D322 IonicContact NE2-OD2 2.92Å; H39-D322 PolarHBondContact NE2-OD2 2.99Å |
| 40 | L | 97.8 | Very high | 95.3 | Very high | 30 Ų | 30 | 72.9 Ų | 72.9 | 16% | 0.157 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -96.9 | 159.5 | 172.9 | -71.7 | 176.6 | 0 | 0 | 0 | 110.5 | C43 V319 Y320 L340 C352 L354 | L40-C43 PolarHBondContact O-SG 3.06Å; L40-V319 HydrophobicContact CD1-CG1 4.24Å; L40-Y320 HydrophobicContact CG-CD2 4.31Å; L40-L340 HydrophobicContact CD1-CB 4.4Å; L40-L340 HydrophobicContact CD1-CD2 3.57Å; L40-C352 HydrophobicContact CB-CB 3.82Å; L40-C352 HydrophobicContact CD1-CB 3.98Å; L40-L354 HydrophobicContact CD1-CD2 4.16Å |
| 41 | P | 96.8 | Very high | 95.2 | Very high | 54 Ų | 54 | 76.7 Ų | 76.7 | 35% | 0.351 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 153 | 173.9 | 27.4 | -34.1 | 0 | 0 | 0 | 112 | C43 D353 | P41-C43 PolarHBondContact O-N 2.84Å; P41-C43 VanDerWaalsContact O-N 3.08Å; P41-D353 WeakPolarHBondContact CD-O 3.36Å; P41-D353 HydrophobicContact CG-CB 4.38Å; P41-D353 PolarHBondContact O-N 3.47Å; P41-D353 VanDerWaalsContact O-N 3.1Å |
| 42 | N | 95.6 | Very high | 95.3 | Very high | 117 Ų | 117 | 74.7 Ų | 74.7 | 63% | 0.626 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 33.8 | 171.3 | -55.9 | -32.4 | 0 | 0 | 0 | 115.5 | V44 D353 | N42-V44 PolarHBondContact O-N 2.9Å; N42-D353 HydrophobicContact CB-CB 4.39Å; N42-D353 VanDerWaalsContact CB-OD2 3.28Å; N42-D353 WeakPolarHBondContact CB-OD2 3.35Å; N42-D353 PolarHBondContact ND2-OD2 2.8Å |
| 43 | C | 96.8 | Very high | 95.5 | Very high | 43 Ų | 43 | 67.2 Ų | 67.2 | 29% | 0.291 | 36% | 0.36 | S | S | . | . | trans | -66 | 120.8 | 173.4 | -69.7 | 0 | 0 | 0 | 0 | 111.6 | L40 P41 L350 C351 C352 | L40-C43 PolarHBondContact O-SG 3.06Å; P41-C43 PolarHBondContact O-N 2.84Å; P41-C43 VanDerWaalsContact O-N 3.08Å; C43-L350 HydrophobicContact CB-CD1 4.13Å; C43-L350 HydrophobicContact CB-CD2 3.93Å; C43-L350 HydrophobicContact CB-CG 4.07Å; C43-C351 CarbonylContact C-O 3.52Å; C43-C351 WeakPolarHBondContact CA-O 3.33Å; C43-C352 VanDerWaalsContact CA-SG 3.58Å; C43-C352 HydrophobicContact CB-CB 4.12Å; C43-C352 WeakPolarHBondContact CB-SG 3.28Å; C43-C352 WeakPolarHBondContact SG-CB 3.33Å; C43-C352 CovalentContact SG-SG 2.04Å; C43-C352 PolarHBondContact SG-SG 3.32Å | ||
| 44 | V | 95.8 | Very high | 95.6 | Very high | 72 Ų | 72 | 64.9 Ų | 64.9 | 44% | 0.436 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 132.5 | 178.4 | -65.4 | 0 | 0 | 0 | 0 | 110.7 | N42 L94 C351 | N42-V44 PolarHBondContact O-N 2.9Å; V44-L94 HydrophobicContact CG2-CD1 4.04Å; V44-C351 HydrophobicContact CG2-CB 4.26Å; V44-C351 WeakPolarHBondContact CG2-O 3.46Å; V44-C351 PolarHBondContact N-O 2.76Å; V44-C351 PolarHBondContact O-N 3.38Å |
| 45 | A | 97.3 | Very high | 95.8 | Very high | 54 Ų | 54 | 57.7 Ų | 57.7 | 45% | 0.446 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 135.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | K47 A349 | A45-K47 PolarHBondContact O-N 3.44Å; A45-A349 WeakPolarHBondContact CA-O 3.27Å |
| 46 | L | 97.5 | Very high | 96.2 | Very high | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -74 | 117.8 | 176.6 | -62.2 | -174.3 | 0 | 0 | 0 | 109.8 | I49 I66 L87 L94 P96 L341 A349 C351 | L46-I49 HydrophobicContact CB-CD1 4.07Å; L46-I49 HydrophobicContact CD1-CD1 4.08Å; L46-I49 PolarHBondContact O-N 2.93Å; L46-I66 HydrophobicContact CD1-CD1 4.28Å; L46-L87 HydrophobicContact CD1-CD2 3.75Å; L46-L87 HydrophobicContact CD2-CD2 4.16Å; L46-L94 HydrophobicContact CD2-CB 4.18Å; L46-P96 HydrophobicContact CB-CG 3.9Å; L46-P96 HydrophobicContact CD1-CG 4.25Å; L46-L341 HydrophobicContact CD1-CD2 4.01Å; L46-A349 HydrophobicContact CB-CB 4.18Å; L46-A349 HydrophobicContact CD1-CB 3.79Å; L46-A349 HydrophobicContact CG-CB 4.12Å; L46-A349 PolarHBondContact N-O 2.87Å; L46-C351 HydrophobicContact CD2-CB 3.98Å |
| 47 | K | 93.9 | Very high | 96.5 | Very high | 162 Ų | 162 | 54.1 Ų | 54.1 | 70% | 0.704 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 141.9 | -177.5 | -66.6 | -179.1 | -179.6 | 175 | 0 | 110.9 | A45 I49 | A45-K47 PolarHBondContact O-N 3.44Å; K47-I49 PolarHBondContact O-N 2.86Å |
| 48 | N | 90.9 | Very high | 96.6 | Very high | 111 Ų | 111 | 51.6 Ų | 51.6 | 59% | 0.594 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | 6.3 | 179.1 | -45.9 | -47.3 | 0 | 0 | 0 | 115.5 | ||
| 49 | I | 95.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | trans | -106.5 | 94.3 | 168.2 | -59.9 | -178.1 | 0 | 0 | 0 | 107.3 | L46 K47 I66 P96 K348 A349 | L46-I49 HydrophobicContact CB-CD1 4.07Å; L46-I49 HydrophobicContact CD1-CD1 4.08Å; L46-I49 PolarHBondContact O-N 2.93Å; K47-I49 PolarHBondContact O-N 2.86Å; I49-I66 HydrophobicContact CD1-CD1 3.72Å; I49-I66 HydrophobicContact CD1-CG2 4.3Å; I49-P96 HydrophobicContact CD1-CB 3.96Å; I49-P96 HydrophobicContact CD1-CG 3.67Å; I49-P96 HydrophobicContact CG1-CB 4.32Å; I49-P96 HydrophobicContact CG1-CG 4.1Å; I49-K348 WeakPolarHBondContact O-CA 3.23Å; I49-A349 HydrophobicContact CB-CB 4.41Å; I49-A349 HydrophobicContact CD1-CB 4.22Å; I49-A349 HydrophobicContact CG2-CB 3.89Å | ||
| 50 | E | 94.3 | Very high | 96.1 | Very high | 87 Ų | 87 | 47.3 Ų | 47.3 | 41% | 0.407 | 27% | 0.274 | S | S | . | . | trans | -123.3 | -8.4 | -173.7 | -59.9 | -66.8 | 158.8 | 0 | 0 | 113.1 | H347 K348 | E50-H347 CarbonylContact C-O 3.56Å; E50-K348 WeakPolarHBondContact OE2-CE 3.45Å | ||
| 51 | H | 94.6 | Very high | 95.7 | Very high | 105 Ų | 105 | 51 Ų | 51 | 49% | 0.486 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -134.8 | 46.8 | -167.2 | -58.5 | -44.1 | 0 | 0 | 0 | 112 | G69 F346 H347 | H51-G69 WeakPolarHBondContact O-CA 3.49Å; H51-G69 PolarHBondContact O-N 3.31Å; H51-F346 CarbonylContact C-O 3.58Å; H51-H347 PolarHBondContact N-O 3.24Å |
| 52 | G | 96.8 | Very high | 95.7 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | trans | 95.7 | 138.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G68 F346 H347 | G52-G68 WeakPolarHBondContact O-CA 3.36Å; G52-F346 PolarHBondContact N-O 2.92Å; G52-H347 WeakPolarHBondContact CA-O 3.44Å; G52-H347 PolarHBondContact N-O 2.92Å | ||
| 53 | S | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -142.1 | 55.9 | 171.3 | 37.5 | 0 | 0 | 0 | 0 | 106.5 | D55 S67 G343 T344 K348 A349 | S53-D55 VanDerWaalsContact C-N 3.3Å; S53-D55 PolarHBondContact O-N 2.94Å; S53-S67 CarbonylContact C-O 3.59Å; S53-S67 WeakPolarHBondContact CA-O 3.29Å; S53-G343 CarbonylContact O-C 3.54Å; S53-G343 WeakPolarHBondContact O-CA 3.41Å; S53-G343 WeakPolarHBondContact OG-CA 3.34Å; S53-T344 CarbonylContact C-O 3.55Å; S53-T344 PolarHBondContact N-O 3.44Å; S53-T344 PolarHBondContact O-N 2.72Å; S53-T344 PolarHBondContact OG-N 2.93Å; S53-T344 VanDerWaalsContact OG-N 3.14Å; S53-K348 PolarHBondContact OG-O 2.83Å; S53-K348 VanDerWaalsContact OG-O 3.1Å; S53-A349 WeakPolarHBondContact OG-CB 3.47Å | ||
| 54 | E | 98.1 | Very high | 95.8 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.009 | 24% | 0.244 | C | C | . | . | trans | -65.1 | -38.7 | -157.5 | -175.7 | -79.7 | 153.9 | 0 | 0 | 111.1 | S67 L70 H113 N269 S331 V332 T344 V345 | E54-S67 PolarHBondContact N-O 3.25Å; E54-S67 VanDerWaalsContact N-O 3.14Å; E54-L70 HydrophobicContact CB-CD2 4.21Å; E54-L70 HydrophobicContact CG-CD2 3.82Å; E54-H113 IonicContact OE1-CD2 2.6Å; E54-H113 IonicContact OE1-NE2 3.79Å; E54-H113 IonicContact OE2-CD2 3.44Å; E54-H113 PolarHBondContact OE2-CD2 2.79Å; E54-N269 PolarHBondContact O-ND2 2.95Å; E54-N269 PolarHBondContact OE1-ND2 3.48Å; E54-S331 WeakPolarHBondContact CA-OG 3.35Å; E54-S331 WeakPolarHBondContact O-CB 3.27Å; E54-S331 PolarHBondContact O-OG 2.73Å; E54-V332 WeakPolarHBondContact O-CG1 3.12Å; E54-T344 WeakPolarHBondContact CA-O 3.26Å; E54-T344 PolarHBondContact N-O 2.92Å; E54-V345 HydrophobicContact CG-CG1 4.48Å; E54-V345 HydrophobicContact CG-CG2 4.48Å | ||
| 55 | D | 98.9 | Very high | 95.9 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | trans | -131.1 | 146.4 | 174.5 | -165.2 | 25.5 | 0 | 0 | 0 | 112.5 | S53 I66 S67 I115 | S53-D55 VanDerWaalsContact C-N 3.3Å; S53-D55 PolarHBondContact O-N 2.94Å; D55-I66 WeakPolarHBondContact O-CA 3.38Å; D55-S67 PolarHBondContact N-OG 3.11Å; D55-S67 VanDerWaalsContact N-OG 3.1Å; D55-S67 PolarHBondContact O-N 2.87Å; D55-S67 PolarHBondContact O-OG 2.96Å; D55-I115 HydrophobicContact CB-CG1 4.11Å; D55-I115 VanDerWaalsContact OD2-CG1 3.28Å; D55-I115 WeakPolarHBondContact OD2-CG1 3.47Å; D55-I115 PolarHBondContact OD2-N 2.73Å | ||
| 56 | I | 98.9 | Very high | 96 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 126 | -173.7 | -58 | 177.4 | 0 | 0 | 0 | 108.1 | A64 F65 I66 E271 V332 T334 | I56-A64 HydrophobicContact CG2-CB 4.32Å; I56-F65 VanDerWaalsContact CA-O 3.3Å; I56-F65 WeakPolarHBondContact CA-O 3.48Å; I56-I66 HydrophobicContact CD1-CG1 4.4Å; I56-I66 HydrophobicContact CD1-CG2 4.42Å; I56-I66 HydrophobicContact CG1-CB 4.32Å; I56-I66 HydrophobicContact CG1-CG1 4.03Å; I56-I66 HydrophobicContact CG1-CG2 3.95Å; I56-I66 HydrophobicContact CG2-CG1 4.13Å; I56-E271 WeakPolarHBondContact O-CG 3.28Å; I56-V332 HydrophobicContact CB-CG1 3.85Å; I56-V332 HydrophobicContact CB-CG2 4.29Å; I56-V332 HydrophobicContact CD1-CG1 3.94Å; I56-V332 HydrophobicContact CG1-CG1 3.64Å; I56-T334 HydrophobicContact CB-CG2 4.35Å; I56-T334 HydrophobicContact CG2-CG2 3.77Å |
| 57 | T | 98.5 | Very high | 96.1 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 10% | 0.098 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 140.4 | 172.6 | -164.1 | 0 | 0 | 0 | 0 | 111.5 | A64 F65 I115 V117 E271 | T57-A64 CarbonylContact O-C 3.55Å; T57-A64 WeakPolarHBondContact O-CA 3.34Å; T57-F65 HydrophobicContact CG2-CB 4.34Å; T57-F65 PolarHBondContact N-O 3.42Å; T57-F65 PolarHBondContact O-N 2.76Å; T57-I115 HydrophobicContact CG2-CD1 4.1Å; T57-I115 HydrophobicContact CG2-CG1 4.32Å; T57-V117 HydrophobicContact CG2-CB 4.39Å; T57-V117 HydrophobicContact CG2-CG2 3.67Å; T57-E271 WeakPolarHBondContact CA-OE2 3.2Å; T57-E271 PolarHBondContact OG1-OE1 3.3Å |
| 58 | I | 97.8 | Very high | 96.3 | Very high | 27 Ų | 27 | 29 Ų | 29 | 14% | 0.138 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 132.5 | 179.8 | -61.1 | 170.8 | 0 | 0 | 0 | 109.7 | A64 L89 T334 Y336 L341 | I58-A64 HydrophobicContact CG1-CB 3.93Å; I58-L89 HydrophobicContact CD1-CD1 3.48Å; I58-L89 VanDerWaalsContact CD1-CD1 3.48Å; I58-L89 HydrophobicContact CG1-CD1 4.01Å; I58-L89 HydrophobicContact CG2-CD1 4.41Å; I58-T334 HydrophobicContact CD1-CG2 3.55Å; I58-T334 HydrophobicContact CG1-CG2 3.78Å; I58-Y336 HydrophobicContact CG2-CD2 4.24Å; I58-Y336 HydrophobicContact CG2-CG 4.46Å; I58-L341 HydrophobicContact CD1-CD1 3.82Å |
| 59 | V | 92.8 | Very high | 96.6 | Very high | 27 Ų | 27 | 24.3 Ų | 24.3 | 16% | 0.164 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 149.6 | 175.7 | -62.9 | 0 | 0 | 0 | 0 | 113.3 | D61 L63 F65 V117 | V59-D61 PolarHBondContact O-N 2.55Å; V59-L63 HydrophobicContact CG2-CB 4.42Å; V59-L63 PolarHBondContact N-O 2.88Å; V59-L63 PolarHBondContact O-N 2.94Å; V59-F65 HydrophobicContact CG2-CD2 4.15Å; V59-F65 HydrophobicContact CG2-CE2 3.69Å; V59-V117 HydrophobicContact CB-CG1 4.4Å; V59-V117 HydrophobicContact CG1-CB 3.55Å; V59-V117 HydrophobicContact CG1-CG1 3.55Å; V59-V117 HydrophobicContact CG1-CG2 4.06Å; V59-V117 HydrophobicContact CG2-CG1 4.36Å |
| 60 | G | 90.4 | Very high | 96.6 | Very high | 75 Ų | 75 | 24.5 Ų | 24.5 | 77% | 0.773 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | -133.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | G62 | G60-G62 VanDerWaalsContact C-N 3.26Å; G60-G62 PolarHBondContact O-N 3.13Å; G60-G62 VanDerWaalsContact O-N 3.13Å |
| 61 | D | 91.2 | Very high | 96.7 | Very high | 107 Ų | 107 | 22.7 Ų | 22.7 | 57% | 0.572 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 54 | -174.4 | -166.5 | 48.2 | 0 | 0 | 0 | 111.5 | V59 K90 Y336 | V59-D61 PolarHBondContact O-N 2.55Å; D61-K90 WeakPolarHBondContact O-CE 3.44Å; D61-K90 PolarHBondContact O-NZ 3.18Å; D61-K90 IonicContact OD2-NZ 2.62Å; D61-K90 PolarHBondContact OD2-NZ 2.64Å; D61-Y336 VanDerWaalsContact C-CZ 3.44Å; D61-Y336 WeakPolarHBondContact CA-OH 3.47Å; D61-Y336 PolarHBondContact O-OH 2.88Å; D61-Y336 PolarHBondContact OD1-OH 3.48Å |
| 62 | G | 95 | Very high | 96.6 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | 18.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | G60 L89 Y336 | G60-G62 VanDerWaalsContact C-N 3.26Å; G60-G62 PolarHBondContact O-N 3.13Å; G60-G62 VanDerWaalsContact O-N 3.13Å; G62-L89 WeakPolarHBondContact O-CB 3.43Å; G62-L89 WeakPolarHBondContact O-CG 3.46Å; G62-L89 PolarHBondContact O-N 2.86Å; G62-Y336 VanDerWaalsContact CA-CE1 3.44Å; G62-Y336 VanDerWaalsContact CA-CE2 3.49Å; G62-Y336 VanDerWaalsContact N-CE2 3.28Å; G62-Y336 VanDerWaalsContact N-CZ 3.31Å; G62-Y336 PolarHBondContact N-OH 2.87Å |
| 63 | L | 97.2 | Very high | 96.2 | Very high | 42 Ų | 42 | 22.1 Ų | 22.1 | 22% | 0.22 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 112.6 | 174.4 | -176.5 | 68.3 | 0 | 0 | 0 | 109.8 | V59 F65 T86 Y145 | V59-L63 HydrophobicContact CG2-CB 4.42Å; V59-L63 PolarHBondContact N-O 2.88Å; V59-L63 PolarHBondContact O-N 2.94Å; L63-F65 HydrophobicContact CD2-CE2 3.99Å; L63-F65 HydrophobicContact CD2-CZ 4.05Å; L63-F65 HydrophobicContact CG-CE2 4.32Å; L63-T86 HydrophobicContact CD1-CG2 4.37Å; L63-Y145 HydrophobicContact CD2-CE1 3.69Å |
| 64 | A | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 138.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I56 T57 I58 T86 L87 L89 | I56-A64 HydrophobicContact CG2-CB 4.32Å; T57-A64 CarbonylContact O-C 3.55Å; T57-A64 WeakPolarHBondContact O-CA 3.34Å; I58-A64 HydrophobicContact CG1-CB 3.93Å; A64-T86 CarbonylContact O-C 3.51Å; A64-T86 WeakPolarHBondContact O-CA 3.45Å; A64-L87 HydrophobicContact CB-CB 4.29Å; A64-L87 PolarHBondContact N-O 3.35Å; A64-L87 PolarHBondContact O-N 2.84Å; A64-L89 HydrophobicContact CB-CD1 4.44Å |
| 65 | F | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 141.6 | 162.3 | -68.6 | -92.2 | 0 | 0 | 0 | 109 | I56 T57 V59 L63 I84 Y85 T86 L99 I115 V117 V126 L128 Y145 | I56-F65 VanDerWaalsContact CA-O 3.3Å; I56-F65 WeakPolarHBondContact CA-O 3.48Å; T57-F65 HydrophobicContact CG2-CB 4.34Å; T57-F65 PolarHBondContact N-O 3.42Å; T57-F65 PolarHBondContact O-N 2.76Å; V59-F65 HydrophobicContact CG2-CD2 4.15Å; V59-F65 HydrophobicContact CG2-CE2 3.69Å; L63-F65 HydrophobicContact CD2-CE2 3.99Å; L63-F65 HydrophobicContact CD2-CZ 4.05Å; L63-F65 HydrophobicContact CG-CE2 4.32Å; F65-I84 HydrophobicContact CD1-CG2 4.43Å; F65-Y85 WeakPolarHBondContact CA-O 3.31Å; F65-T86 HydrophobicContact CD1-CG2 3.55Å; F65-T86 HydrophobicContact CE1-CG2 3.47Å; F65-T86 VanDerWaalsContact CE1-CG2 3.47Å; F65-T86 HydrophobicContact CG-CG2 4.25Å; F65-T86 HydrophobicContact CZ-CG2 4.1Å; F65-L99 HydrophobicContact CD1-CD1 4.05Å; F65-L99 HydrophobicContact CE1-CD1 3.94Å; F65-I115 HydrophobicContact CB-CD1 3.9Å; F65-I115 WeakPolarHBondContact O-CD1 3.27Å; F65-V117 HydrophobicContact CD2-CG2 3.72Å; F65-V117 HydrophobicContact CE2-CG2 4.08Å; F65-V117 HydrophobicContact CG-CG2 4.27Å; F65-V126 HydrophobicContact CE2-CG1 4.42Å; F65-V126 HydrophobicContact CZ-CG1 4.3Å; F65-L128 HydrophobicContact CB-CD1 4.21Å; F65-L128 HydrophobicContact CD1-CD1 4.2Å; F65-L128 HydrophobicContact CD1-CD2 3.99Å; F65-L128 HydrophobicContact CE1-CD2 4.45Å; F65-L128 HydrophobicContact CG-CD1 4.16Å; F65-Y145 HydrophobicContact CE1-CD1 4.46Å; F65-Y145 AromaticContact CE1-CD2 3.77Å; F65-Y145 HydrophobicContact CE1-CD2 3.77Å; F65-Y145 HydrophobicContact CE1-CE2 4.12Å; F65-Y145 AromaticContact CE1-CG 3.95Å; F65-Y145 HydrophobicContact CE1-CG 3.95Å; F65-Y145 AromaticContact CZ-CD1 3.82Å; F65-Y145 HydrophobicContact CZ-CD1 3.82Å; F65-Y145 AromaticContact CZ-CD2 3.96Å; F65-Y145 HydrophobicContact CZ-CD2 3.96Å; F65-Y145 HydrophobicContact CZ-CE1 4.13Å; F65-Y145 HydrophobicContact CZ-CE2 4.27Å; F65-Y145 AromaticContact CZ-CG 3.71Å; F65-Y145 HydrophobicContact CZ-CG 3.71Å |
| 66 | I | 98.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 122.9 | -175.8 | -53.2 | 168.1 | 0 | 0 | 0 | 108.5 | L46 I49 D55 I56 I84 Y85 L87 | L46-I66 HydrophobicContact CD1-CD1 4.28Å; I49-I66 HydrophobicContact CD1-CD1 3.72Å; I49-I66 HydrophobicContact CD1-CG2 4.3Å; D55-I66 WeakPolarHBondContact O-CA 3.38Å; I56-I66 HydrophobicContact CD1-CG1 4.4Å; I56-I66 HydrophobicContact CD1-CG2 4.42Å; I56-I66 HydrophobicContact CG1-CB 4.32Å; I56-I66 HydrophobicContact CG1-CG1 4.03Å; I56-I66 HydrophobicContact CG1-CG2 3.95Å; I56-I66 HydrophobicContact CG2-CG1 4.13Å; I66-I84 CarbonylContact O-C 3.54Å; I66-I84 WeakPolarHBondContact O-CA 3.43Å; I66-Y85 PolarHBondContact N-O 3.14Å; I66-Y85 PolarHBondContact O-N 3.15Å; I66-L87 HydrophobicContact CD1-CB 4.32Å |
| 67 | S | 98.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.007 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 135.6 | 167.2 | 64.8 | 0 | 0 | 0 | 0 | 109.8 | S53 E54 D55 H113 | S53-S67 CarbonylContact C-O 3.59Å; S53-S67 WeakPolarHBondContact CA-O 3.29Å; E54-S67 PolarHBondContact N-O 3.25Å; E54-S67 VanDerWaalsContact N-O 3.14Å; D55-S67 PolarHBondContact N-OG 3.11Å; D55-S67 VanDerWaalsContact N-OG 3.1Å; D55-S67 PolarHBondContact O-N 2.87Å; D55-S67 PolarHBondContact O-OG 2.96Å; S67-H113 WeakPolarHBondContact CB-O 3.49Å; S67-H113 PolarHBondContact OG-O 3.45Å |
| 68 | G | 97.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 159.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | G52 G82 K83 | G52-G68 WeakPolarHBondContact O-CA 3.36Å; G68-G82 CarbonylContact O-C 3.51Å; G68-G82 WeakPolarHBondContact O-CA 3.2Å; G68-K83 PolarHBondContact N-O 2.87Å; G68-K83 PolarHBondContact O-N 2.86Å |
| 69 | G | 97.2 | Very high | 93.7 | Very high | 12 Ų | 12 | 34.4 Ų | 34.4 | 12% | 0.124 | 24% | 0.242 | C | C | . | . | trans | 80.3 | 22.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | H51 K71 | H51-G69 WeakPolarHBondContact O-CA 3.49Å; H51-G69 PolarHBondContact O-N 3.31Å; G69-K71 PolarHBondContact O-N 2.85Å | ||
| 70 | L | 97.4 | Very high | 93.6 | Very high | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | trans | -57.4 | 129.5 | 176.6 | 177.8 | 67.9 | 0 | 0 | 0 | 110.7 | E54 F72 N111 P112 H113 V345 | E54-L70 HydrophobicContact CB-CD2 4.21Å; E54-L70 HydrophobicContact CG-CD2 3.82Å; L70-F72 HydrophobicContact CD2-CB 4.18Å; L70-F72 HydrophobicContact CD2-CD2 4.49Å; L70-F72 HydrophobicContact CG-CB 4.25Å; L70-N111 WeakPolarHBondContact CA-OD1 3.42Å; L70-P112 WeakPolarHBondContact CD1-O 3.35Å; L70-H113 HydrophobicContact CD1-CB 3.85Å; L70-H113 WeakPolarHBondContact CD2-CD2 3.47Å; L70-V345 HydrophobicContact CD2-CG1 4.48Å | ||
| 71 | K | 96.5 | Very high | 93.8 | Very high | 49 Ų | 49 | 37.5 Ų | 37.5 | 21% | 0.213 | 24% | 0.238 | C | C | . | . | trans | -104.8 | 94.1 | 170.9 | -60.2 | 169.3 | -170.3 | 173.2 | 0 | 107.7 | G69 G79 E80 N111 | G69-K71 PolarHBondContact O-N 2.85Å; K71-G79 PolarHBondContact NZ-O 2.81Å; K71-E80 WeakPolarHBondContact CE-O 3.2Å; K71-E80 PolarHBondContact NZ-O 3.02Å; K71-N111 PolarHBondContact N-OD1 3.2Å; K71-N111 PolarHBondContact O-ND2 2.84Å | ||
| 72 | F | 91.4 | Very high | 94.1 | Very high | 41 Ų | 41 | 32.4 Ų | 32.4 | 18% | 0.18 | 21% | 0.212 | C | C | . | . | trans | -103.7 | 133.4 | 174.4 | -159.9 | -84.8 | 0 | 0 | 0 | 110.4 | L70 G74 F75 | L70-F72 HydrophobicContact CD2-CB 4.18Å; L70-F72 HydrophobicContact CD2-CD2 4.49Å; L70-F72 HydrophobicContact CG-CB 4.25Å; F72-G74 PolarHBondContact O-N 3.38Å; F72-F75 HydrophobicContact CB-CD2 3.86Å; F72-F75 AromaticContact CD1-CD2 3.56Å; F72-F75 HydrophobicContact CD1-CD2 3.56Å; F72-F75 AromaticContact CD1-CE2 3.56Å; F72-F75 HydrophobicContact CD1-CE2 3.56Å; F72-F75 HydrophobicContact CE1-CE2 4.14Å; F72-F75 HydrophobicContact CG-CD2 4.11Å; F72-F75 HydrophobicContact CG-CE2 4.32Å; F72-F75 PolarHBondContact O-N 3.17Å; F72-F75 VanDerWaalsContact O-N 3.1Å | ||
| 73 | P | 87.9 | Confident | 94.3 | Very high | 56 Ų | 56 | 35.7 Ų | 35.7 | 36% | 0.364 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 126.8 | 179.9 | -27.8 | 35.4 | 0 | 0 | 0 | 113 | F136 | P73-F136 HydrophobicContact CG-CD1 3.88Å; P73-F136 HydrophobicContact CG-CE1 3.89Å |
| 74 | G | 85.9 | Confident | 94.3 | Very high | 66 Ų | 66 | 33.7 Ų | 33.7 | 68% | 0.68 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 93.2 | -7 | -180 | 0 | 0 | 0 | 0 | 0 | 115.2 | F72 | F72-G74 PolarHBondContact O-N 3.38Š|
| 75 | F | 90.4 | Very high | 94.3 | Very high | 28 Ų | 28 | 34.9 Ų | 34.9 | 12% | 0.123 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -103.8 | 155.1 | 179 | -70.3 | -90.3 | 0 | 0 | 0 | 113.1 | F72 L290 F291 V345 F346 | F72-F75 HydrophobicContact CB-CD2 3.86Å; F72-F75 AromaticContact CD1-CD2 3.56Å; F72-F75 HydrophobicContact CD1-CD2 3.56Å; F72-F75 AromaticContact CD1-CE2 3.56Å; F72-F75 HydrophobicContact CD1-CE2 3.56Å; F72-F75 HydrophobicContact CE1-CE2 4.14Å; F72-F75 HydrophobicContact CG-CD2 4.11Å; F72-F75 HydrophobicContact CG-CE2 4.32Å; F72-F75 PolarHBondContact O-N 3.17Å; F72-F75 VanDerWaalsContact O-N 3.1Å; F75-L290 HydrophobicContact CE1-CD1 3.79Å; F75-L290 HydrophobicContact CE1-CD2 4.45Å; F75-L290 HydrophobicContact CE1-CG 3.71Å; F75-L290 HydrophobicContact CZ-CD2 4.38Å; F75-L290 HydrophobicContact CZ-CG 4.04Å; F75-F291 AromaticContact CE2-CD1 3.91Å; F75-F291 HydrophobicContact CE2-CD1 3.91Å; F75-F291 AromaticContact CE2-CE1 3.93Å; F75-F291 HydrophobicContact CE2-CE1 3.93Å; F75-F291 AromaticContact CZ-CD1 3.63Å; F75-F291 HydrophobicContact CZ-CD1 3.63Å; F75-F291 AromaticContact CZ-CE1 3.64Å; F75-F291 HydrophobicContact CZ-CE1 3.64Å; F75-V345 HydrophobicContact CD1-CG1 4.21Å; F75-V345 HydrophobicContact CE1-CG1 4.26Å; F75-F346 HydrophobicContact CB-CD1 4.38Å; F75-F346 AromaticContact CD1-CD1 3.42Å; F75-F346 HydrophobicContact CD1-CD1 3.42Å; F75-F346 VanDerWaalsContact CD1-CD1 3.42Å; F75-F346 AromaticContact CD1-CE1 3.57Å; F75-F346 HydrophobicContact CD1-CE1 3.57Å; F75-F346 HydrophobicContact CD1-CG 4.5Å; F75-F346 HydrophobicContact CE1-CD1 4.11Å; F75-F346 AromaticContact CE1-CE1 3.97Å; F75-F346 HydrophobicContact CE1-CE1 3.97Å; F75-F346 HydrophobicContact CG-CD1 4.31Å |
| 76 | P | 92.5 | Very high | 94.3 | Very high | 45 Ų | 45 | 35.2 Ų | 35.2 | 29% | 0.292 | 22% | 0.222 | S | C | . | . | trans | -57 | 141.8 | 168.7 | -22.9 | 34.5 | 0 | 0 | 0 | 111.5 | F293 F346 | P76-F293 HydrophobicContact CG-CD1 3.6Å; P76-F293 HydrophobicContact CG-CD2 4.48Å; P76-F293 HydrophobicContact CG-CE1 3.81Å; P76-F293 HydrophobicContact CG-CG 3.96Å; P76-F293 HydrophobicContact CG-CZ 4.35Å; P76-F346 HydrophobicContact CB-CD2 4.11Å; P76-F346 HydrophobicContact CB-CG 4.49Å; P76-F346 HydrophobicContact CG-CD2 3.86Å; P76-F346 HydrophobicContact CG-CE2 3.98Å; P76-F346 HydrophobicContact CG-CG 4.31Å | ||
| 77 | S | 90.6 | Very high | 94.2 | Very high | 73 Ų | 73 | 35.3 Ų | 35.3 | 51% | 0.51 | 22% | 0.222 | S | C | . | . | trans | -147.4 | 155 | 172.2 | 66.4 | 0 | 0 | 0 | 0 | 110.8 | G79 | S77-G79 VanDerWaalsContact C-N 3.33Š| ||
| 78 | S | 89 | Confident | 94.1 | Very high | 44 Ų | 44 | 38.5 Ų | 38.5 | 31% | 0.308 | 24% | 0.24 | S | C | . | . | trans | -78.1 | -16.4 | 178.4 | 58 | 0 | 0 | 0 | 0 | 113.8 | E80 | S78-E80 PolarHBondContact O-N 2.81Å; S78-E80 PolarHBondContact OG-N 2.68Å | ||
| 79 | G | 88.8 | Confident | 94.1 | Very high | 51 Ų | 51 | 38.9 Ų | 38.9 | 53% | 0.526 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 80.9 | -22.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | K71 S77 | K71-G79 PolarHBondContact NZ-O 2.81Å; S77-G79 VanDerWaalsContact C-N 3.33Å |
| 80 | E | 92.5 | Very high | 93.9 | Very high | 126 Ų | 126 | 43.5 Ų | 43.5 | 59% | 0.589 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -63.3 | 154.5 | 175.9 | -64.5 | -61.3 | 141.9 | 0 | 0 | 112.3 | K71 S78 | K71-E80 WeakPolarHBondContact CE-O 3.2Å; K71-E80 PolarHBondContact NZ-O 3.02Å; S78-E80 PolarHBondContact O-N 2.81Å; S78-E80 PolarHBondContact OG-N 2.68Å |
| 81 | P | 94.8 | Very high | 93.8 | Very high | 40 Ų | 40 | 45.7 Ų | 45.7 | 26% | 0.26 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 147 | 169.8 | -28.7 | 38.1 | 0 | 0 | 0 | 113.1 | L107 | P81-L107 HydrophobicContact CB-CG 4.44Å; P81-L107 WeakPolarHBondContact CB-O 3.35Å |
| 82 | G | 97.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 162.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G68 F110 | G68-G82 CarbonylContact O-C 3.51Å; G68-G82 WeakPolarHBondContact O-CA 3.2Å; G82-F110 PolarHBondContact N-O 3.4Å; G82-F110 VanDerWaalsContact O-CD1 3.3Å; G82-F110 WeakPolarHBondContact O-CD1 3.45Å |
| 83 | K | 97.8 | Very high | 93.6 | Very high | 68 Ų | 68 | 53.1 Ų | 53.1 | 30% | 0.296 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 152.2 | -171.1 | -67.4 | 173.1 | 173.1 | -161.2 | 0 | 110.8 | G68 Y85 E98 | G68-K83 PolarHBondContact N-O 2.87Å; G68-K83 PolarHBondContact O-N 2.86Å; K83-Y85 HydrophobicContact CB-CD2 4.4Å; K83-Y85 HydrophobicContact CB-CE2 3.66Å; K83-Y85 HydrophobicContact CD-CE1 4.37Å; K83-Y85 HydrophobicContact CD-CE2 4.48Å; K83-Y85 WeakPolarHBondContact CD-OH 3.46Å; K83-E98 HydrophobicContact CB-CG 4.47Å; K83-E98 HydrophobicContact CD-CG 4.23Å; K83-E98 WeakPolarHBondContact CD-OE2 3.1Å; K83-E98 WeakPolarHBondContact CE-OE1 3.49Å; K83-E98 VanDerWaalsContact CE-OE2 3.27Å; K83-E98 WeakPolarHBondContact CE-OE2 3.1Å; K83-E98 HydrophobicContact CG-CG 4.41Å; K83-E98 IonicContact NZ-OE1 3.78Å; K83-E98 IonicContact NZ-OE2 2.79Å; K83-E98 PolarHBondContact NZ-OE2 3.02Å |
| 84 | I | 98.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 133 | 164.9 | -54.6 | -57.6 | 0 | 0 | 0 | 107.8 | F65 I66 L99 F110 P112 I115 L128 V130 L152 | F65-I84 HydrophobicContact CD1-CG2 4.43Å; I66-I84 CarbonylContact O-C 3.54Å; I66-I84 WeakPolarHBondContact O-CA 3.43Å; I84-L99 HydrophobicContact CB-CD1 4.27Å; I84-L99 HydrophobicContact CG2-CD1 3.64Å; I84-L99 HydrophobicContact CG2-CG 4.36Å; I84-L99 WeakPolarHBondContact O-CB 3.3Å; I84-L99 PolarHBondContact O-N 2.78Å; I84-F110 HydrophobicContact CD1-CE1 4.39Å; I84-F110 HydrophobicContact CD1-CZ 4.11Å; I84-F110 HydrophobicContact CG1-CE1 4.08Å; I84-F110 HydrophobicContact CG1-CZ 3.97Å; I84-P112 HydrophobicContact CD1-CB 3.79Å; I84-P112 HydrophobicContact CD1-CG 4.19Å; I84-I115 HydrophobicContact CD1-CG2 4.46Å; I84-L128 HydrophobicContact CG1-CD2 4.45Å; I84-L128 HydrophobicContact CG2-CD2 3.75Å; I84-V130 HydrophobicContact CD1-CG1 4.11Å; I84-V130 HydrophobicContact CD1-CG2 4.14Å; I84-V130 HydrophobicContact CG1-CG2 4.47Å; I84-L152 HydrophobicContact CB-CD1 4.22Å; I84-L152 HydrophobicContact CG1-CD1 4.21Å; I84-L152 HydrophobicContact CG2-CD1 4.44Å |
| 85 | Y | 98.4 | Very high | 94.4 | Very high | 25 Ų | 25 | 54.4 Ų | 54.4 | 10% | 0.098 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 157.9 | 173.7 | -52.5 | -95.8 | 0 | 0 | 0 | 110.6 | F65 I66 K83 P96 V97 E98 | F65-Y85 WeakPolarHBondContact CA-O 3.31Å; I66-Y85 PolarHBondContact N-O 3.14Å; I66-Y85 PolarHBondContact O-N 3.15Å; K83-Y85 HydrophobicContact CB-CD2 4.4Å; K83-Y85 HydrophobicContact CB-CE2 3.66Å; K83-Y85 HydrophobicContact CD-CE1 4.37Å; K83-Y85 HydrophobicContact CD-CE2 4.48Å; K83-Y85 WeakPolarHBondContact CD-OH 3.46Å; Y85-P96 HydrophobicContact CD1-CB 4.41Å; Y85-V97 CarbonylContact C-O 3.39Å; Y85-V97 VanDerWaalsContact CA-O 3.27Å; Y85-V97 WeakPolarHBondContact CA-O 3.39Å; Y85-E98 HydrophobicContact CD1-CB 3.9Å; Y85-E98 HydrophobicContact CE1-CB 3.88Å; Y85-E98 HydrophobicContact CE1-CG 4.28Å |
| 86 | T | 97.8 | Very high | 94.7 | Very high | 6 Ų | 6 | 53.4 Ų | 53.4 | 4% | 0.037 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 151.7 | 161.9 | 45.8 | 0 | 0 | 0 | 0 | 110.7 | L63 A64 F65 P96 V97 L99 Y145 | L63-T86 HydrophobicContact CD1-CG2 4.37Å; A64-T86 CarbonylContact O-C 3.51Å; A64-T86 WeakPolarHBondContact O-CA 3.45Å; F65-T86 HydrophobicContact CD1-CG2 3.55Å; F65-T86 HydrophobicContact CE1-CG2 3.47Å; F65-T86 VanDerWaalsContact CE1-CG2 3.47Å; F65-T86 HydrophobicContact CG-CG2 4.25Å; F65-T86 HydrophobicContact CZ-CG2 4.1Å; T86-P96 CarbonylContact O-C 3.5Å; T86-P96 WeakPolarHBondContact O-CA 3.4Å; T86-V97 PolarHBondContact N-O 2.9Å; T86-V97 PolarHBondContact O-N 2.84Å; T86-L99 HydrophobicContact CG2-CD1 3.86Å; T86-L99 HydrophobicContact CG2-CD2 3.66Å; T86-L99 HydrophobicContact CG2-CG 3.93Å; T86-L99 WeakPolarHBondContact OG1-CD2 3.29Å; T86-Y145 HydrophobicContact CG2-CE2 4.14Å |
| 87 | L | 97.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 124.8 | 175.2 | 171.4 | 67.8 | 0 | 0 | 0 | 109 | L46 A64 I66 L89 L94 L341 | L46-L87 HydrophobicContact CD1-CD2 3.75Å; L46-L87 HydrophobicContact CD2-CD2 4.16Å; A64-L87 HydrophobicContact CB-CB 4.29Å; A64-L87 PolarHBondContact N-O 3.35Å; A64-L87 PolarHBondContact O-N 2.84Å; I66-L87 HydrophobicContact CD1-CB 4.32Å; L87-L89 HydrophobicContact CD2-CD2 3.67Å; L87-L89 HydrophobicContact CG-CD2 4.08Å; L87-L94 HydrophobicContact CD1-CB 4.37Å; L87-L341 HydrophobicContact CD2-CD2 3.62Å |
| 88 | D | 96.4 | Very high | 95.2 | Very high | 69 Ų | 69 | 55.2 Ų | 55.2 | 37% | 0.369 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 112.7 | 168.2 | -175.4 | -8.2 | 0 | 0 | 0 | 108.9 | K90 D91 | D88-K90 PolarHBondContact O-N 2.98Å; D88-K90 VanDerWaalsContact OD1-CB 3.32Å; D88-K90 WeakPolarHBondContact OD1-CB 3.5Å; D88-K90 PolarHBondContact OD1-N 2.88Å; D88-D91 HydrophobicContact CB-CB 4.37Å; D88-D91 WeakPolarHBondContact O-CB 3.48Å; D88-D91 PolarHBondContact O-N 2.87Å |
| 89 | L | 96.3 | Very high | 95.6 | Very high | 9 Ų | 9 | 53.2 Ų | 53.2 | 5% | 0.047 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -7.5 | -178.4 | -66.3 | 168.4 | 0 | 0 | 0 | 113.6 | I58 G62 A64 L87 L94 Y336 L341 | I58-L89 HydrophobicContact CD1-CD1 3.48Å; I58-L89 VanDerWaalsContact CD1-CD1 3.48Å; I58-L89 HydrophobicContact CG1-CD1 4.01Å; I58-L89 HydrophobicContact CG2-CD1 4.41Å; G62-L89 WeakPolarHBondContact O-CB 3.43Å; G62-L89 WeakPolarHBondContact O-CG 3.46Å; G62-L89 PolarHBondContact O-N 2.86Å; A64-L89 HydrophobicContact CB-CD1 4.44Å; L87-L89 HydrophobicContact CD2-CD2 3.67Å; L87-L89 HydrophobicContact CG-CD2 4.08Å; L89-L94 HydrophobicContact CD2-CD2 4.12Å; L89-Y336 HydrophobicContact CB-CD1 3.75Å; L89-Y336 HydrophobicContact CB-CE1 4.33Å; L89-Y336 HydrophobicContact CD1-CD1 4.09Å; L89-Y336 HydrophobicContact CD1-CG 4.12Å; L89-L341 HydrophobicContact CD1-CD1 3.44Å; L89-L341 VanDerWaalsContact CD1-CD1 3.44Å; L89-L341 HydrophobicContact CD2-CD1 3.43Å; L89-L341 VanDerWaalsContact CD2-CD1 3.43Å; L89-L341 HydrophobicContact CD2-CD2 3.84Å; L89-L341 HydrophobicContact CD2-CG 4.05Å; L89-L341 HydrophobicContact CG-CD1 4.07Å |
| 90 | K | 94.9 | Very high | 96 | Very high | 108 Ų | 108 | 58.4 Ų | 58.4 | 47% | 0.47 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -15 | 169.7 | -56.9 | 176.3 | -55.4 | -144.3 | 0 | 112.2 | D61 D88 P92 Y336 | D61-K90 WeakPolarHBondContact O-CE 3.44Å; D61-K90 PolarHBondContact O-NZ 3.18Å; D61-K90 IonicContact OD2-NZ 2.62Å; D61-K90 PolarHBondContact OD2-NZ 2.64Å; D88-K90 PolarHBondContact O-N 2.98Å; D88-K90 VanDerWaalsContact OD1-CB 3.32Å; D88-K90 WeakPolarHBondContact OD1-CB 3.5Å; D88-K90 PolarHBondContact OD1-N 2.88Å; K90-P92 VanDerWaalsContact O-CD 3.3Å; K90-P92 WeakPolarHBondContact O-CD 3.3Å; K90-Y336 HydrophobicContact CG-CE1 4.22Å |
| 91 | D | 93.9 | Very high | 96.3 | Very high | 51 Ų | 51 | 53.7 Ų | 53.7 | 27% | 0.273 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -68.7 | 116.2 | 171.5 | -179.1 | -2.8 | 0 | 0 | 0 | 108.8 | D88 N93 L94 | D88-D91 HydrophobicContact CB-CB 4.37Å; D88-D91 WeakPolarHBondContact O-CB 3.48Å; D88-D91 PolarHBondContact O-N 2.87Å; D91-N93 PolarHBondContact O-N 3.21Å; D91-N93 WeakPolarHBondContact OD1-CB 3.38Å; D91-N93 PolarHBondContact OD1-N 2.92Å; D91-N93 PolarHBondContact OD1-ND2 3.2Å; D91-L94 PolarHBondContact O-N 2.79Å |
| 92 | P | 91 | Very high | 96.2 | Very high | 118 Ų | 118 | 53.4 Ų | 53.4 | 77% | 0.766 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -18.9 | 179.8 | 26.3 | -36.3 | 0 | 0 | 0 | 113.4 | K90 | K90-P92 VanDerWaalsContact O-CD 3.3Å; K90-P92 WeakPolarHBondContact O-CD 3.3Å |
| 93 | N | 92.8 | Very high | 95.9 | Very high | 129 Ų | 129 | 64.9 Ų | 64.9 | 69% | 0.69 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -10 | 178 | -56.5 | -69.9 | 0 | 0 | 0 | 113.5 | D91 K95 | D91-N93 PolarHBondContact O-N 3.21Å; D91-N93 WeakPolarHBondContact OD1-CB 3.38Å; D91-N93 PolarHBondContact OD1-N 2.92Å; D91-N93 PolarHBondContact OD1-ND2 3.2Å; N93-K95 VanDerWaalsContact C-N 3.28Å; N93-K95 PolarHBondContact O-N 2.89Å |
| 94 | L | 95.2 | Very high | 95.6 | Very high | 21 Ų | 21 | 69.7 Ų | 69.7 | 11% | 0.11 | 34% | 0.337 | C | S | . | . | trans | 43.4 | 52.8 | -179.7 | -62.5 | 173.1 | 0 | 0 | 0 | 112.5 | V44 L46 L87 L89 D91 P96 C351 | V44-L94 HydrophobicContact CG2-CD1 4.04Å; L46-L94 HydrophobicContact CD2-CB 4.18Å; L87-L94 HydrophobicContact CD1-CB 4.37Å; L89-L94 HydrophobicContact CD2-CD2 4.12Å; D91-L94 PolarHBondContact O-N 2.79Å; L94-P96 VanDerWaalsContact O-CD 3.32Å; L94-P96 WeakPolarHBondContact O-CD 3.32Å; L94-C351 HydrophobicContact CD1-CB 4.15Å | ||
| 95 | K | 95.3 | Very high | 95.5 | Very high | 127 Ų | 127 | 70.9 Ų | 70.9 | 55% | 0.552 | 34% | 0.342 | S | S | * | . | trans | -96.5 | 111.3 | -174.9 | -175.4 | -178.3 | 175.7 | -173 | 0 | 110.8 | N93 | N93-K95 VanDerWaalsContact C-N 3.28Å; N93-K95 PolarHBondContact O-N 2.89Å | ||
| 96 | P | 96.5 | Very high | 95.4 | Very high | 7 Ų | 7 | 73.8 Ų | 73.8 | 5% | 0.045 | 36% | 0.359 | C | S | . | . | trans | -64.3 | 141.7 | 172 | -18.8 | 32.4 | 0 | 0 | 0 | 111.2 | L46 I49 Y85 T86 L94 | L46-P96 HydrophobicContact CB-CG 3.9Å; L46-P96 HydrophobicContact CD1-CG 4.25Å; I49-P96 HydrophobicContact CD1-CB 3.96Å; I49-P96 HydrophobicContact CD1-CG 3.67Å; I49-P96 HydrophobicContact CG1-CB 4.32Å; I49-P96 HydrophobicContact CG1-CG 4.1Å; Y85-P96 HydrophobicContact CD1-CB 4.41Å; T86-P96 CarbonylContact O-C 3.5Å; T86-P96 WeakPolarHBondContact O-CA 3.4Å; L94-P96 VanDerWaalsContact O-CD 3.32Å; L94-P96 WeakPolarHBondContact O-CD 3.32Å | ||
| 97 | V | 96.8 | Very high | 95.3 | Very high | 61 Ų | 61 | 77 Ų | 77 | 37% | 0.37 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 119.9 | 176.4 | 179.8 | 0 | 0 | 0 | 0 | 108.4 | Y85 T86 L99 | Y85-V97 CarbonylContact C-O 3.39Å; Y85-V97 VanDerWaalsContact CA-O 3.27Å; Y85-V97 WeakPolarHBondContact CA-O 3.39Å; T86-V97 PolarHBondContact N-O 2.9Å; T86-V97 PolarHBondContact O-N 2.84Å; V97-L99 PolarHBondContact O-N 2.9Å |
| 98 | E | 97.4 | Very high | 95.2 | Very high | 95 Ų | 95 | 85 Ų | 85 | 44% | 0.444 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 126.6 | 172.5 | -175.7 | 177.7 | 153 | 0 | 0 | 109.7 | K83 Y85 | K83-E98 HydrophobicContact CB-CG 4.47Å; K83-E98 HydrophobicContact CD-CG 4.23Å; K83-E98 WeakPolarHBondContact CD-OE2 3.1Å; K83-E98 WeakPolarHBondContact CE-OE1 3.49Å; K83-E98 VanDerWaalsContact CE-OE2 3.27Å; K83-E98 WeakPolarHBondContact CE-OE2 3.1Å; K83-E98 HydrophobicContact CG-CG 4.41Å; K83-E98 IonicContact NZ-OE1 3.78Å; K83-E98 IonicContact NZ-OE2 2.79Å; K83-E98 PolarHBondContact NZ-OE2 3.02Å; Y85-E98 HydrophobicContact CD1-CB 3.9Å; Y85-E98 HydrophobicContact CE1-CB 3.88Å; Y85-E98 HydrophobicContact CE1-CG 4.28Å |
| 99 | L | 98 | Very high | 95.2 | Very high | 2 Ų | 2 | 82.8 Ų | 82.8 | 1% | 0.01 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 130.4 | 177.7 | -68 | -176.4 | 0 | 0 | 0 | 110.5 | F65 I84 T86 V97 M101 Y145 S150 L152 | F65-L99 HydrophobicContact CD1-CD1 4.05Å; F65-L99 HydrophobicContact CE1-CD1 3.94Å; I84-L99 HydrophobicContact CB-CD1 4.27Å; I84-L99 HydrophobicContact CG2-CD1 3.64Å; I84-L99 HydrophobicContact CG2-CG 4.36Å; I84-L99 WeakPolarHBondContact O-CB 3.3Å; I84-L99 PolarHBondContact O-N 2.78Å; T86-L99 HydrophobicContact CG2-CD1 3.86Å; T86-L99 HydrophobicContact CG2-CD2 3.66Å; T86-L99 HydrophobicContact CG2-CG 3.93Å; T86-L99 WeakPolarHBondContact OG1-CD2 3.29Å; V97-L99 PolarHBondContact O-N 2.9Å; L99-M101 PolarHBondContact O-N 2.98Å; L99-Y145 HydrophobicContact CD1-CD2 4.3Å; L99-Y145 HydrophobicContact CD1-CE2 4.43Å; L99-Y145 HydrophobicContact CD2-CD2 4.32Å; L99-Y145 HydrophobicContact CD2-CE2 3.75Å; L99-S150 WeakPolarHBondContact CA-O 3.49Å; L99-S150 WeakPolarHBondContact CD2-O 3.27Å; L99-L152 HydrophobicContact CB-CD1 4.31Å; L99-L152 HydrophobicContact CB-CG 4.11Å; L99-L152 HydrophobicContact CD1-CD1 3.88Å; L99-L152 HydrophobicContact CD1-CD2 3.69Å; L99-L152 HydrophobicContact CD1-CG 3.67Å |
| 100 | R | 97.8 | Very high | 95.3 | Very high | 160 Ų | 160 | 82.4 Ų | 82.4 | 60% | 0.604 | 40% | 0.401 | S | S | * | . | B | Isolated β-bridge | trans | -69.2 | 120.3 | 176 | -177.8 | -178.5 | 63 | 156.5 | 1.1 | 110.2 | S150 S151 L152 | R100-S150 PolarHBondContact N-O 2.98Å; R100-S151 WeakPolarHBondContact O-CA 3.36Å; R100-S151 WeakPolarHBondContact O-CB 3.11Å; R100-L152 PolarHBondContact O-N 2.53Å |
| 101 | M | 97.4 | Very high | 95.4 | Very high | 28 Ų | 28 | 77.6 Ų | 77.6 | 14% | 0.138 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -78 | 156.4 | 178.3 | -62.6 | -62 | -76.2 | 0 | 0 | 112.5 | L99 F105 L107 F110 F143 L152 | L99-M101 PolarHBondContact O-N 2.98Å; M101-F105 HydrophobicContact CE-CD1 3.56Å; M101-F105 HydrophobicContact CE-CE1 3.5Å; M101-F105 HydrophobicContact CE-CG 4.35Å; M101-F105 HydrophobicContact CE-CZ 4.28Å; M101-L107 HydrophobicContact CB-CD1 4.19Å; M101-L107 HydrophobicContact CG-CD1 3.82Å; M101-F110 HydrophobicContact CE-CD1 4.03Å; M101-F110 HydrophobicContact CE-CE1 3.75Å; M101-F110 HydrophobicContact CE-CE2 4.39Å; M101-F110 HydrophobicContact CE-CG 4.47Å; M101-F110 HydrophobicContact CE-CZ 3.93Å; M101-F110 HydrophobicContact SD-CE1 4.45Å; M101-F143 HydrophobicContact CE-CE1 3.88Å; M101-F143 HydrophobicContact CE-CZ 3.77Å; M101-L152 HydrophobicContact SD-CD1 3.86Å |
| 102 | P | 94 | Very high | 95.7 | Very high | 34 Ų | 34 | 75.1 Ų | 75.1 | 22% | 0.221 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 142.3 | 177.3 | 1 | 9.2 | 0 | 0 | 0 | 111.4 | N104 F105 F143 H154 | P102-N104 PolarHBondContact O-N 2.79Å; P102-N104 VanDerWaalsContact O-N 3.16Å; P102-F105 HydrophobicContact CB-CB 4.18Å; P102-F105 HydrophobicContact CG-CB 3.84Å; P102-F105 HydrophobicContact CG-CG 4.45Å; P102-F105 WeakPolarHBondContact O-CB 3.4Å; P102-F105 PolarHBondContact O-N 2.82Å; P102-F105 VanDerWaalsContact O-N 3.1Å; P102-F143 HydrophobicContact CG-CE1 4.41Å; P102-H154 HydrophobicContact CG-CB 3.67Å |
| 103 | R | 90.8 | Very high | 96 | Very high | 242 Ų | 242 | 69.8 Ų | 69.8 | 91% | 0.913 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -28.9 | -177.2 | -69.4 | -174.9 | -178.7 | 175.3 | 0.4 | 114.9 | ||
| 104 | N | 91.3 | Very high | 96.3 | Very high | 169 Ų | 169 | 63.6 Ų | 63.6 | 90% | 0.904 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 10.1 | -177.5 | -62.9 | -13.9 | 0 | 0 | 0 | 112.6 | P102 | P102-N104 PolarHBondContact O-N 2.79Å; P102-N104 VanDerWaalsContact O-N 3.16Å |
| 105 | F | 96.3 | Very high | 96.5 | Very high | 25 Ų | 25 | 62.8 Ų | 62.8 | 11% | 0.11 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -87.2 | 140.4 | 176.1 | -172.8 | -101.7 | 0 | 0 | 0 | 109.7 | M101 P102 L107 F110 E141 F143 H154 | M101-F105 HydrophobicContact CE-CD1 3.56Å; M101-F105 HydrophobicContact CE-CE1 3.5Å; M101-F105 HydrophobicContact CE-CG 4.35Å; M101-F105 HydrophobicContact CE-CZ 4.28Å; P102-F105 HydrophobicContact CB-CB 4.18Å; P102-F105 HydrophobicContact CG-CB 3.84Å; P102-F105 HydrophobicContact CG-CG 4.45Å; P102-F105 WeakPolarHBondContact O-CB 3.4Å; P102-F105 PolarHBondContact O-N 2.82Å; P102-F105 VanDerWaalsContact O-N 3.1Å; F105-L107 PolarHBondContact O-N 2.83Å; F105-F110 HydrophobicContact CE1-CB 3.93Å; F105-F110 HydrophobicContact CE1-CD1 4.42Å; F105-F110 AromaticContact CE1-CD2 3.48Å; F105-F110 HydrophobicContact CE1-CD2 3.48Å; F105-F110 VanDerWaalsContact CE1-CD2 3.48Å; F105-F110 HydrophobicContact CE1-CE2 4.05Å; F105-F110 AromaticContact CE1-CG 3.7Å; F105-F110 HydrophobicContact CE1-CG 3.7Å; F105-F110 AromaticContact CZ-CD2 3.67Å; F105-F110 HydrophobicContact CZ-CD2 3.67Å; F105-F110 HydrophobicContact CZ-CE2 4.02Å; F105-F110 HydrophobicContact CZ-CG 4.36Å; F105-E141 HydrophobicContact CE2-CG 4.14Å; F105-E141 HydrophobicContact CZ-CG 4.01Å; F105-F143 HydrophobicContact CD2-CE1 4.13Å; F105-F143 HydrophobicContact CD2-CZ 4.34Å; F105-F143 HydrophobicContact CE1-CZ 4.27Å; F105-F143 AromaticContact CE2-CE1 3.99Å; F105-F143 HydrophobicContact CE2-CE1 3.99Å; F105-F143 AromaticContact CE2-CZ 3.74Å; F105-F143 HydrophobicContact CE2-CZ 3.74Å; F105-F143 HydrophobicContact CZ-CE1 4.3Å; F105-F143 AromaticContact CZ-CZ 3.72Å; F105-F143 HydrophobicContact CZ-CZ 3.72Å; F105-H154 HydrophobicContact CD2-CB 4.19Å; F105-H154 AromaticContact CD2-CD2 3.87Å; F105-H154 AromaticContact CD2-CG 3.89Å; F105-H154 AromaticContact CE2-CD2 3.74Å; F105-H154 AromaticContact CE2-NE2 3.88Å |
| 106 | D | 96.1 | Very high | 96.7 | Very high | 86 Ų | 86 | 57.3 Ų | 57.3 | 46% | 0.46 | 27% | 0.273 | S | S | . | . | trans | -72.7 | 82.8 | 176 | -179.2 | 8.4 | 0 | 0 | 0 | 110 | E108 S109 F110 | D106-E108 VanDerWaalsContact C-N 3.33Å; D106-E108 PolarHBondContact OD1-N 2.98Å; D106-S109 PolarHBondContact OD1-N 2.89Å; D106-S109 WeakPolarHBondContact OD2-CB 3.41Å; D106-S109 PolarHBondContact OD2-OG 2.99Å; D106-F110 PolarHBondContact O-N 2.91Å | ||
| 107 | L | 95.6 | Very high | 96.8 | Very high | 74 Ų | 74 | 58 Ų | 58 | 39% | 0.387 | 28% | 0.277 | S | S | . | . | trans | -71.1 | -30.6 | -179.6 | -172.6 | 61.3 | 0 | 0 | 0 | 111.7 | P81 M101 F105 S109 F110 | P81-L107 HydrophobicContact CB-CG 4.44Å; P81-L107 WeakPolarHBondContact CB-O 3.35Å; M101-L107 HydrophobicContact CB-CD1 4.19Å; M101-L107 HydrophobicContact CG-CD1 3.82Å; F105-L107 PolarHBondContact O-N 2.83Å; L107-S109 VanDerWaalsContact C-N 3.3Å; L107-S109 PolarHBondContact O-N 3.27Å; L107-F110 HydrophobicContact CD1-CB 4.29Å; L107-F110 HydrophobicContact CD1-CD1 4.23Å; L107-F110 WeakPolarHBondContact O-CB 3.38Å; L107-F110 PolarHBondContact O-N 2.91Å | ||
| 108 | E | 95.4 | Very high | 96.8 | Very high | 171 Ų | 171 | 57.7 Ų | 57.7 | 80% | 0.799 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -38 | -175.9 | -65.6 | -173.4 | 168.7 | 0 | 0 | 111.9 | D106 | D106-E108 VanDerWaalsContact C-N 3.33Å; D106-E108 PolarHBondContact OD1-N 2.98Å |
| 109 | S | 96.4 | Very high | 96.8 | Very high | 22 Ų | 22 | 56.4 Ų | 56.4 | 15% | 0.154 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -0.7 | 176.8 | 79.9 | 0 | 0 | 0 | 0 | 114.1 | D106 L107 N111 P134 | D106-S109 PolarHBondContact OD1-N 2.89Å; D106-S109 WeakPolarHBondContact OD2-CB 3.41Å; D106-S109 PolarHBondContact OD2-OG 2.99Å; L107-S109 VanDerWaalsContact C-N 3.3Å; L107-S109 PolarHBondContact O-N 3.27Å; S109-N111 PolarHBondContact O-N 2.83Å; S109-P134 VanDerWaalsContact O-CA 3.27Å; S109-P134 WeakPolarHBondContact O-CA 3.23Å; S109-P134 WeakPolarHBondContact OG-CB 3.39Å |
| 110 | F | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | trans | -63.4 | 122.1 | -178.4 | -172.6 | -129.6 | 0 | 0 | 0 | 111.5 | G82 I84 M101 F105 D106 L107 P112 V130 N132 | G82-F110 PolarHBondContact N-O 3.4Å; G82-F110 VanDerWaalsContact O-CD1 3.3Å; G82-F110 WeakPolarHBondContact O-CD1 3.45Å; I84-F110 HydrophobicContact CD1-CE1 4.39Å; I84-F110 HydrophobicContact CD1-CZ 4.11Å; I84-F110 HydrophobicContact CG1-CE1 4.08Å; I84-F110 HydrophobicContact CG1-CZ 3.97Å; M101-F110 HydrophobicContact CE-CD1 4.03Å; M101-F110 HydrophobicContact CE-CE1 3.75Å; M101-F110 HydrophobicContact CE-CE2 4.39Å; M101-F110 HydrophobicContact CE-CG 4.47Å; M101-F110 HydrophobicContact CE-CZ 3.93Å; M101-F110 HydrophobicContact SD-CE1 4.45Å; F105-F110 HydrophobicContact CE1-CB 3.93Å; F105-F110 HydrophobicContact CE1-CD1 4.42Å; F105-F110 AromaticContact CE1-CD2 3.48Å; F105-F110 HydrophobicContact CE1-CD2 3.48Å; F105-F110 VanDerWaalsContact CE1-CD2 3.48Å; F105-F110 HydrophobicContact CE1-CE2 4.05Å; F105-F110 AromaticContact CE1-CG 3.7Å; F105-F110 HydrophobicContact CE1-CG 3.7Å; F105-F110 AromaticContact CZ-CD2 3.67Å; F105-F110 HydrophobicContact CZ-CD2 3.67Å; F105-F110 HydrophobicContact CZ-CE2 4.02Å; F105-F110 HydrophobicContact CZ-CG 4.36Å; D106-F110 PolarHBondContact O-N 2.91Å; L107-F110 HydrophobicContact CD1-CB 4.29Å; L107-F110 HydrophobicContact CD1-CD1 4.23Å; L107-F110 WeakPolarHBondContact O-CB 3.38Å; L107-F110 PolarHBondContact O-N 2.91Å; F110-P112 HydrophobicContact CD1-CG 4.33Å; F110-P112 HydrophobicContact CE1-CB 4.05Å; F110-P112 HydrophobicContact CE1-CG 3.8Å; F110-P112 HydrophobicContact CE2-CB 4.11Å; F110-P112 HydrophobicContact CZ-CB 3.66Å; F110-P112 HydrophobicContact CZ-CG 3.96Å; F110-V130 HydrophobicContact CE2-CG1 4.11Å; F110-V130 HydrophobicContact CZ-CG1 4.04Å; F110-N132 WeakPolarHBondContact CD2-OD1 3.45Å; F110-N132 HydrophobicContact CE2-CB 4.41Å | ||
| 111 | N | 98.4 | Very high | 96.6 | Very high | 6 Ų | 6 | 55.1 Ų | 55.1 | 3% | 0.032 | 28% | 0.279 | C | S | . | . | trans | -140.7 | 76.7 | -174.8 | -173 | 21.4 | 0 | 0 | 0 | 108.7 | L70 K71 S109 N132 H133 | L70-N111 WeakPolarHBondContact CA-OD1 3.42Å; K71-N111 PolarHBondContact N-OD1 3.2Å; K71-N111 PolarHBondContact O-ND2 2.84Å; S109-N111 PolarHBondContact O-N 2.83Å; N111-N132 PolarHBondContact N-OD1 2.66Å; N111-N132 WeakPolarHBondContact O-CA 3.28Å; N111-N132 PolarHBondContact O-OD1 3.25Å; N111-H133 HydrophobicContact CB-CB 4.14Å; N111-H133 WeakPolarHBondContact CB-O 3.33Å; N111-H133 WeakPolarHBondContact ND2-CB 3.37Å; N111-H133 PolarHBondContact ND2-O 3.39Å; N111-H133 PolarHBondContact O-N 3.03Å | ||
| 112 | P | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 144.6 | -175.4 | 32.1 | -32.4 | 0 | 0 | 0 | 111.6 | L70 I84 F110 V130 V131 | L70-P112 WeakPolarHBondContact CD1-O 3.35Å; I84-P112 HydrophobicContact CD1-CB 3.79Å; I84-P112 HydrophobicContact CD1-CG 4.19Å; F110-P112 HydrophobicContact CD1-CG 4.33Å; F110-P112 HydrophobicContact CE1-CB 4.05Å; F110-P112 HydrophobicContact CE1-CG 3.8Å; F110-P112 HydrophobicContact CE2-CB 4.11Å; F110-P112 HydrophobicContact CZ-CB 3.66Å; F110-P112 HydrophobicContact CZ-CG 3.96Å; P112-V130 HydrophobicContact CB-CG1 3.57Å; P112-V131 CarbonylContact C-O 3.51Å; P112-V131 VanDerWaalsContact CA-O 3.32Å; P112-V131 WeakPolarHBondContact CA-O 3.32Å |
| 113 | H | 98.7 | Very high | 96.7 | Very high | 5 Ų | 5 | 61.7 Ų | 61.7 | 2% | 0.023 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | -124.1 | -179.9 | -163 | -177.1 | 0 | 0 | 0 | 108.6 | E54 S67 L70 V131 H133 N167 | E54-H113 IonicContact OE1-CD2 2.6Å; E54-H113 IonicContact OE1-NE2 3.79Å; E54-H113 IonicContact OE2-CD2 3.44Å; E54-H113 PolarHBondContact OE2-CD2 2.79Å; S67-H113 WeakPolarHBondContact CB-O 3.49Å; S67-H113 PolarHBondContact OG-O 3.45Å; L70-H113 HydrophobicContact CD1-CB 3.85Å; L70-H113 WeakPolarHBondContact CD2-CD2 3.47Å; H113-V131 HydrophobicContact CB-CB 4.06Å; H113-V131 HydrophobicContact CB-CG1 3.98Å; H113-V131 PolarHBondContact N-O 2.77Å; H113-H133 AromaticContact CG-NE2 3.67Å; H113-H133 AromaticContact ND1-CD2 3.66Å; H113-H133 AromaticContact ND1-NE2 2.97Å; H113-H133 PolarHBondContact ND1-NE2 3.28Å; H113-N167 PolarHBondContact CE1-ND2 3.19Å; H113-N167 PolarHBondContact ND1-O 3.38Å |
| 114 | G | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 148.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | V131 N167 D168 | G114-V131 WeakPolarHBondContact O-CB 3.47Å; G114-V131 WeakPolarHBondContact O-CG2 3.41Å; G114-V131 PolarHBondContact O-N 2.8Å; G114-N167 PolarHBondContact N-O 3.41Å; G114-D168 WeakPolarHBondContact CA-OD1 3.36Å |
| 115 | I | 98.9 | Very high | 97.2 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 152.1 | -176.7 | 58.9 | 170.3 | 0 | 0 | 0 | 111.8 | D55 T57 F65 I84 L128 F129 V130 | D55-I115 HydrophobicContact CB-CG1 4.11Å; D55-I115 VanDerWaalsContact OD2-CG1 3.28Å; D55-I115 WeakPolarHBondContact OD2-CG1 3.47Å; D55-I115 PolarHBondContact OD2-N 2.73Å; T57-I115 HydrophobicContact CG2-CD1 4.1Å; T57-I115 HydrophobicContact CG2-CG1 4.32Å; F65-I115 HydrophobicContact CB-CD1 3.9Å; F65-I115 WeakPolarHBondContact O-CD1 3.27Å; I84-I115 HydrophobicContact CD1-CG2 4.46Å; I115-L128 HydrophobicContact CB-CD1 4.24Å; I115-F129 VanDerWaalsContact CA-O 3.3Å; I115-F129 WeakPolarHBondContact CA-O 3.43Å; I115-V130 HydrophobicContact CG2-CB 4.36Å; I115-V130 HydrophobicContact CG2-CG1 4.15Å; I115-V130 HydrophobicContact CG2-CG2 4.06Å |
| 116 | S | 98.9 | Very high | 97.2 | Very high | 12 Ų | 12 | 45.1 Ų | 45.1 | 8% | 0.084 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 151 | 170.6 | -161.3 | 0 | 0 | 0 | 0 | 111 | F129 I169 A171 | S116-F129 PolarHBondContact N-O 3.14Å; S116-F129 PolarHBondContact O-N 3.02Å; S116-I169 WeakPolarHBondContact CB-O 3.4Å; S116-A171 PolarHBondContact OG-N 3.05Å |
| 117 | V | 98.4 | Very high | 97.3 | Very high | 22 Ų | 22 | 42.7 Ų | 42.7 | 13% | 0.133 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 131.8 | 178 | 178.7 | 0 | 0 | 0 | 0 | 110.3 | T57 V59 F65 V126 Y127 L128 | T57-V117 HydrophobicContact CG2-CB 4.39Å; T57-V117 HydrophobicContact CG2-CG2 3.67Å; V59-V117 HydrophobicContact CB-CG1 4.4Å; V59-V117 HydrophobicContact CG1-CB 3.55Å; V59-V117 HydrophobicContact CG1-CG1 3.55Å; V59-V117 HydrophobicContact CG1-CG2 4.06Å; V59-V117 HydrophobicContact CG2-CG1 4.36Å; F65-V117 HydrophobicContact CD2-CG2 3.72Å; F65-V117 HydrophobicContact CE2-CG2 4.08Å; F65-V117 HydrophobicContact CG-CG2 4.27Å; V117-V126 HydrophobicContact CG1-CG1 3.53Å; V117-Y127 CarbonylContact C-O 3.55Å; V117-Y127 WeakPolarHBondContact CA-O 3.44Å; V117-L128 HydrophobicContact CG2-CD1 3.64Å |
| 118 | Y | 98.3 | Very high | 97.5 | Very high | 54 Ų | 54 | 39.1 Ų | 39.1 | 21% | 0.212 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 121 | 169.5 | -178.1 | -97.2 | 0 | 0 | 0 | 109.4 | D120 P121 Y127 V174 | Y118-D120 HydrophobicContact CE1-CB 4.19Å; Y118-P121 WeakPolarHBondContact OH-CD 3.33Å; Y118-Y127 HydrophobicContact CD1-CD2 4.3Å; Y118-Y127 PolarHBondContact N-O 3.43Å; Y118-Y127 PolarHBondContact O-N 2.6Å; Y118-V174 HydrophobicContact CD1-CG2 4.21Å; Y118-V174 HydrophobicContact CE1-CG2 3.83Å |
| 119 | T | 97.4 | Very high | 97.7 | Very high | 68 Ų | 68 | 31 Ų | 31 | 42% | 0.417 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 117.3 | 170.7 | -56.9 | 0 | 0 | 0 | 0 | 108.5 | P121 T125 V126 | T119-P121 VanDerWaalsContact O-CD 3.31Å; T119-P121 WeakPolarHBondContact O-CD 3.34Å; T119-T125 WeakPolarHBondContact CA-O 3.44Å; T119-V126 HydrophobicContact CG2-CG2 4.45Å |
| 120 | D | 96.6 | Very high | 97.8 | Very high | 24 Ų | 24 | 30 Ų | 30 | 13% | 0.128 | 18% | 0.184 | C | C | . | . | trans | -67 | 116.9 | 177.7 | -170.2 | -30.4 | 0 | 0 | 0 | 109.6 | Y118 S122 D123 G124 T125 Y127 V174 | Y118-D120 HydrophobicContact CE1-CB 4.19Å; D120-S122 VanDerWaalsContact CG-OG 3.24Å; D120-S122 PolarHBondContact O-N 3.1Å; D120-S122 VanDerWaalsContact OD1-CB 3.27Å; D120-S122 WeakPolarHBondContact OD1-CB 3.31Å; D120-S122 PolarHBondContact OD1-N 3.32Å; D120-S122 PolarHBondContact OD1-OG 3.1Å; D120-S122 PolarHBondContact OD2-OG 2.75Å; D120-D123 PolarHBondContact O-N 3.35Å; D120-G124 VanDerWaalsContact O-CA 3.23Å; D120-G124 WeakPolarHBondContact O-CA 3.08Å; D120-G124 PolarHBondContact O-N 2.95Å; D120-T125 PolarHBondContact N-O 3.14Å; D120-Y127 HydrophobicContact CB-CD2 4.48Å; D120-Y127 HydrophobicContact CB-CE2 4.04Å; D120-V174 HydrophobicContact CB-CG2 4.45Å; D120-V174 WeakPolarHBondContact OD2-CG2 3.26Å | ||
| 121 | P | 95 | Very high | 97.8 | Very high | 111 Ų | 111 | 29.9 Ų | 29.9 | 72% | 0.721 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69 | -13.4 | -177.7 | 29.1 | -35.7 | 0 | 0 | 0 | 113.2 | Y118 T119 | Y118-P121 WeakPolarHBondContact OH-CD 3.33Å; T119-P121 VanDerWaalsContact O-CD 3.31Å; T119-P121 WeakPolarHBondContact O-CD 3.34Å |
| 122 | S | 96.4 | Very high | 97.8 | Very high | 99 Ų | 99 | 29.7 Ų | 29.7 | 69% | 0.692 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -32.8 | -178.7 | 69.5 | 0 | 0 | 0 | 0 | 113.5 | D120 | D120-S122 VanDerWaalsContact CG-OG 3.24Å; D120-S122 PolarHBondContact O-N 3.1Å; D120-S122 VanDerWaalsContact OD1-CB 3.27Å; D120-S122 WeakPolarHBondContact OD1-CB 3.31Å; D120-S122 PolarHBondContact OD1-N 3.32Å; D120-S122 PolarHBondContact OD1-OG 3.1Å; D120-S122 PolarHBondContact OD2-OG 2.75Å |
| 123 | D | 96.1 | Very high | 97.8 | Very high | 101 Ų | 101 | 30.6 Ų | 30.6 | 54% | 0.54 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -139 | -3.3 | -175.5 | 74.4 | -9.1 | 0 | 0 | 0 | 114.6 | D120 T125 | D120-D123 PolarHBondContact O-N 3.35Å; D123-T125 VanDerWaalsContact C-N 3.27Å; D123-T125 PolarHBondContact O-N 3.3Å; D123-T125 WeakPolarHBondContact OD1-CB 3.4Å; D123-T125 PolarHBondContact OD1-N 2.81Å; D123-T125 PolarHBondContact OD1-OG1 3.17Å; D123-T125 VanDerWaalsContact OD1-OG1 3.06Å; D123-T125 PolarHBondContact OD2-OG1 2.79Å |
| 124 | G | 94.9 | Very high | 97.7 | Very high | 45 Ų | 45 | 31.3 Ų | 31.3 | 46% | 0.464 | 19% | 0.192 | S | C | . | . | trans | 75.7 | 10.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | D120 V126 | D120-G124 VanDerWaalsContact O-CA 3.23Å; D120-G124 WeakPolarHBondContact O-CA 3.08Å; D120-G124 PolarHBondContact O-N 2.95Å; G124-V126 PolarHBondContact O-N 3.44Å | ||
| 125 | T | 96.8 | Very high | 97.4 | Very high | 13 Ų | 13 | 39.6 Ų | 39.6 | 8% | 0.08 | 23% | 0.231 | C | C | . | . | trans | -63.7 | 128.2 | 177.9 | -70.8 | 0 | 0 | 0 | 0 | 110.2 | T119 D120 D123 Y127 K144 | T119-T125 WeakPolarHBondContact CA-O 3.44Å; D120-T125 PolarHBondContact N-O 3.14Å; D123-T125 VanDerWaalsContact C-N 3.27Å; D123-T125 PolarHBondContact O-N 3.3Å; D123-T125 WeakPolarHBondContact OD1-CB 3.4Å; D123-T125 PolarHBondContact OD1-N 2.81Å; D123-T125 PolarHBondContact OD1-OG1 3.17Å; D123-T125 VanDerWaalsContact OD1-OG1 3.06Å; D123-T125 PolarHBondContact OD2-OG1 2.79Å; T125-Y127 HydrophobicContact CG2-CD2 3.95Å; T125-Y127 HydrophobicContact CG2-CE1 4.2Å; T125-Y127 HydrophobicContact CG2-CE2 3.44Å; T125-Y127 VanDerWaalsContact CG2-CE2 3.44Å; T125-K144 HydrophobicContact CG2-CD 3.77Å; T125-K144 HydrophobicContact CG2-CG 3.83Å; T125-K144 PolarHBondContact OG1-NZ 3.06Å | ||
| 126 | V | 97.8 | Very high | 97 | Very high | 30 Ų | 30 | 45.5 Ų | 45.5 | 18% | 0.182 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 115.9 | 176.7 | 178.9 | 0 | 0 | 0 | 0 | 109.7 | F65 V117 T119 G124 Y145 | F65-V126 HydrophobicContact CE2-CG1 4.42Å; F65-V126 HydrophobicContact CZ-CG1 4.3Å; V117-V126 HydrophobicContact CG1-CG1 3.53Å; T119-V126 HydrophobicContact CG2-CG2 4.45Å; G124-V126 PolarHBondContact O-N 3.44Å; V126-Y145 HydrophobicContact CB-CD1 4.32Å; V126-Y145 HydrophobicContact CG1-CD1 4.32Å; V126-Y145 PolarHBondContact O-N 2.99Å |
| 127 | Y | 98.6 | Very high | 96.8 | Very high | 34 Ų | 34 | 46.5 Ų | 46.5 | 13% | 0.133 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 123.6 | 172.3 | -66.2 | -85.4 | 0 | 0 | 0 | 109.8 | V117 Y118 D120 T125 I142 F143 V174 | V117-Y127 CarbonylContact C-O 3.55Å; V117-Y127 WeakPolarHBondContact CA-O 3.44Å; Y118-Y127 HydrophobicContact CD1-CD2 4.3Å; Y118-Y127 PolarHBondContact N-O 3.43Å; Y118-Y127 PolarHBondContact O-N 2.6Å; D120-Y127 HydrophobicContact CB-CD2 4.48Å; D120-Y127 HydrophobicContact CB-CE2 4.04Å; T125-Y127 HydrophobicContact CG2-CD2 3.95Å; T125-Y127 HydrophobicContact CG2-CE1 4.2Å; T125-Y127 HydrophobicContact CG2-CE2 3.44Å; T125-Y127 VanDerWaalsContact CG2-CE2 3.44Å; Y127-I142 HydrophobicContact CD1-CG2 4.02Å; Y127-F143 CarbonylContact C-O 3.47Å; Y127-F143 VanDerWaalsContact CA-O 3.29Å; Y127-F143 WeakPolarHBondContact CA-O 3.38Å; Y127-V174 HydrophobicContact CD1-CG1 4.29Å; Y127-V174 HydrophobicContact CD2-CG1 4.29Å; Y127-V174 HydrophobicContact CD2-CG2 4.3Å; Y127-V174 HydrophobicContact CE1-CG1 3.82Å; Y127-V174 HydrophobicContact CE2-CB 4.38Å; Y127-V174 HydrophobicContact CE2-CG1 3.81Å; Y127-V174 HydrophobicContact CE2-CG2 3.87Å |
| 128 | L | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 119 | 171.5 | 178.2 | 70.7 | 0 | 0 | 0 | 108.5 | F65 I84 I115 V117 V130 F143 L152 | F65-L128 HydrophobicContact CB-CD1 4.21Å; F65-L128 HydrophobicContact CD1-CD1 4.2Å; F65-L128 HydrophobicContact CD1-CD2 3.99Å; F65-L128 HydrophobicContact CE1-CD2 4.45Å; F65-L128 HydrophobicContact CG-CD1 4.16Å; I84-L128 HydrophobicContact CG1-CD2 4.45Å; I84-L128 HydrophobicContact CG2-CD2 3.75Å; I115-L128 HydrophobicContact CB-CD1 4.24Å; V117-L128 HydrophobicContact CG2-CD1 3.64Å; L128-V130 HydrophobicContact CD2-CG2 3.83Å; L128-V130 HydrophobicContact CG-CG2 3.78Å; L128-F143 PolarHBondContact N-O 2.68Å; L128-F143 PolarHBondContact O-N 3.3Å; L128-L152 HydrophobicContact CD2-CD1 4.07Å; L128-L152 HydrophobicContact CD2-CD2 4.14Å |
| 129 | F | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 135.5 | 170.9 | -70.5 | -112.9 | 0 | 0 | 0 | 108.3 | I115 S116 I140 E141 I142 I169 A171 G173 V174 F177 | I115-F129 VanDerWaalsContact CA-O 3.3Å; I115-F129 WeakPolarHBondContact CA-O 3.43Å; S116-F129 PolarHBondContact N-O 3.14Å; S116-F129 PolarHBondContact O-N 3.02Å; F129-I140 HydrophobicContact CD1-CG2 4.09Å; F129-E141 CarbonylContact C-O 3.59Å; F129-E141 WeakPolarHBondContact CA-O 3.32Å; F129-I142 HydrophobicContact CD1-CD1 4.05Å; F129-I142 HydrophobicContact CD1-CG1 3.72Å; F129-I142 HydrophobicContact CE1-CD1 3.41Å; F129-I142 VanDerWaalsContact CE1-CD1 3.41Å; F129-I142 HydrophobicContact CE1-CG1 3.62Å; F129-I142 HydrophobicContact CE2-CG2 4.48Å; F129-I142 HydrophobicContact CG-CG1 4.36Å; F129-I142 HydrophobicContact CZ-CD1 3.87Å; F129-I142 HydrophobicContact CZ-CG1 4.2Å; F129-I142 HydrophobicContact CZ-CG2 4.42Å; F129-I169 HydrophobicContact CB-CD1 3.24Å; F129-I169 HydrophobicContact CB-CG1 4.41Å; F129-I169 HydrophobicContact CD1-CD1 4.19Å; F129-I169 HydrophobicContact CG-CD1 3.94Å; F129-A171 HydrophobicContact CD2-CB 3.68Å; F129-A171 HydrophobicContact CE2-CB 3.73Å; F129-A171 HydrophobicContact CG-CB 4.16Å; F129-A171 HydrophobicContact CZ-CB 4.22Å; F129-G173 VanDerWaalsContact CZ-O 3.28Å; F129-G173 WeakPolarHBondContact CZ-O 3.13Å; F129-V174 VanDerWaalsContact CZ-O 3.28Å; F129-V174 WeakPolarHBondContact CZ-O 3.33Å; F129-F177 AromaticContact CD1-CD1 3.91Å; F129-F177 HydrophobicContact CD1-CD1 3.91Å; F129-F177 HydrophobicContact CD1-CE1 4.39Å; F129-F177 AromaticContact CE1-CD1 3.7Å; F129-F177 HydrophobicContact CE1-CD1 3.7Å; F129-F177 HydrophobicContact CE1-CE1 4.28Å |
| 130 | V | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 120.9 | -177.7 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | I84 F110 P112 I115 L128 N132 I140 E141 F143 | I84-V130 HydrophobicContact CD1-CG1 4.11Å; I84-V130 HydrophobicContact CD1-CG2 4.14Å; I84-V130 HydrophobicContact CG1-CG2 4.47Å; F110-V130 HydrophobicContact CE2-CG1 4.11Å; F110-V130 HydrophobicContact CZ-CG1 4.04Å; P112-V130 HydrophobicContact CB-CG1 3.57Å; I115-V130 HydrophobicContact CG2-CB 4.36Å; I115-V130 HydrophobicContact CG2-CG1 4.15Å; I115-V130 HydrophobicContact CG2-CG2 4.06Å; L128-V130 HydrophobicContact CD2-CG2 3.83Å; L128-V130 HydrophobicContact CG-CG2 3.78Å; V130-N132 PolarHBondContact O-N 3.42Å; V130-I140 CarbonylContact O-C 3.54Å; V130-I140 WeakPolarHBondContact O-CA 3.28Å; V130-E141 HydrophobicContact CB-CB 4.42Å; V130-E141 PolarHBondContact N-O 2.76Å; V130-E141 PolarHBondContact O-N 3.32Å; V130-F143 HydrophobicContact CB-CE2 4.13Å; V130-F143 HydrophobicContact CG2-CD2 3.89Å; V130-F143 HydrophobicContact CG2-CE2 3.84Å |
| 131 | V | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 127.6 | 164.9 | -179.9 | 0 | 0 | 0 | 0 | 107.9 | P112 H113 G114 V166 I169 | P112-V131 CarbonylContact C-O 3.51Å; P112-V131 VanDerWaalsContact CA-O 3.32Å; P112-V131 WeakPolarHBondContact CA-O 3.32Å; H113-V131 HydrophobicContact CB-CB 4.06Å; H113-V131 HydrophobicContact CB-CG1 3.98Å; H113-V131 PolarHBondContact N-O 2.77Å; G114-V131 WeakPolarHBondContact O-CB 3.47Å; G114-V131 WeakPolarHBondContact O-CG2 3.41Å; G114-V131 PolarHBondContact O-N 2.8Å; V131-V166 HydrophobicContact CB-CG1 4.4Å; V131-V166 HydrophobicContact CG1-CB 4.01Å; V131-V166 HydrophobicContact CG1-CG1 3.86Å; V131-V166 WeakPolarHBondContact CG1-O 3.31Å; V131-V166 HydrophobicContact CG2-CG1 3.6Å; V131-I169 HydrophobicContact CG2-CB 4.49Å; V131-I169 HydrophobicContact CG2-CG1 4.1Å; V131-I169 HydrophobicContact CG2-CG2 3.74Å |
| 132 | N | 98.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.011 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 137.8 | -174.5 | -177.8 | 27.2 | 0 | 0 | 0 | 111 | F110 N111 V130 P134 Q139 E141 | F110-N132 WeakPolarHBondContact CD2-OD1 3.45Å; F110-N132 HydrophobicContact CE2-CB 4.41Å; N111-N132 PolarHBondContact N-OD1 2.66Å; N111-N132 WeakPolarHBondContact O-CA 3.28Å; N111-N132 PolarHBondContact O-OD1 3.25Å; V130-N132 PolarHBondContact O-N 3.42Å; N132-P134 VanDerWaalsContact O-CD 3.28Å; N132-P134 WeakPolarHBondContact O-CD 3.28Å; N132-Q139 HydrophobicContact CB-CG 4.04Å; N132-Q139 PolarHBondContact N-O 3.41Å; N132-Q139 PolarHBondContact O-N 3.16Å; N132-E141 HydrophobicContact CB-CG 3.75Å; N132-E141 PolarHBondContact ND2-OE1 2.6Å |
| 133 | H | 97.8 | Very high | 97.2 | Very high | 19 Ų | 19 | 30.5 Ų | 30.5 | 9% | 0.088 | 17% | 0.17 | C | C | . | . | trans | -120.5 | 59.4 | -176.1 | -62.6 | -60.4 | 0 | 0 | 0 | 114.1 | N111 H113 Q135 F136 G137 V166 | N111-H133 HydrophobicContact CB-CB 4.14Å; N111-H133 WeakPolarHBondContact CB-O 3.33Å; N111-H133 WeakPolarHBondContact ND2-CB 3.37Å; N111-H133 PolarHBondContact ND2-O 3.39Å; N111-H133 PolarHBondContact O-N 3.03Å; H113-H133 AromaticContact CG-NE2 3.67Å; H113-H133 AromaticContact ND1-CD2 3.66Å; H113-H133 AromaticContact ND1-NE2 2.97Å; H113-H133 PolarHBondContact ND1-NE2 3.28Å; H133-Q135 PolarHBondContact O-N 3.3Å; H133-F136 PolarHBondContact O-N 2.97Å; H133-F136 VanDerWaalsContact O-N 3.12Å; H133-G137 WeakPolarHBondContact CA-O 3.27Å; H133-G137 WeakPolarHBondContact CB-O 3.43Å; H133-G137 PolarHBondContact ND1-O 2.85Å; H133-V166 PolarHBondContact CE1-O 2.84Å; H133-V166 PolarHBondContact NE2-O 2.82Å | ||
| 134 | P | 96.9 | Very high | 97.3 | Very high | 19 Ų | 19 | 29.3 Ų | 29.3 | 12% | 0.123 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -65.1 | 124.7 | -179.7 | 29.4 | -33.5 | 0 | 0 | 0 | 109.8 | S109 N132 F136 G137 Q139 | S109-P134 VanDerWaalsContact O-CA 3.27Å; S109-P134 WeakPolarHBondContact O-CA 3.23Å; S109-P134 WeakPolarHBondContact OG-CB 3.39Å; N132-P134 VanDerWaalsContact O-CD 3.28Å; N132-P134 WeakPolarHBondContact O-CD 3.28Å; P134-F136 PolarHBondContact O-N 2.89Å; P134-G137 PolarHBondContact O-N 2.84Å; P134-Q139 HydrophobicContact CG-CG 4.12Å |
| 135 | Q | 92.4 | Very high | 97.5 | Very high | 174 Ų | 174 | 28.7 Ų | 28.7 | 81% | 0.813 | 14% | 0.144 | S | C | * | . | G | 310 helix | trans | 52.7 | 35.9 | -176.1 | -52.1 | 175 | 18.8 | 0 | 0 | 112.8 | H133 G137 | H133-Q135 PolarHBondContact O-N 3.3Å; Q135-G137 PolarHBondContact O-N 3.1Å |
| 136 | F | 90.1 | Very high | 97.5 | Very high | 129 Ų | 129 | 30.4 Ų | 30.4 | 57% | 0.566 | 16% | 0.155 | S | C | * | . | G | 310 helix | trans | 63.2 | 17.4 | -175.5 | -49.8 | -75.4 | 0 | 0 | 0 | 115.2 | P73 H133 P134 | P73-F136 HydrophobicContact CG-CD1 3.88Å; P73-F136 HydrophobicContact CG-CE1 3.89Å; H133-F136 PolarHBondContact O-N 2.97Å; H133-F136 VanDerWaalsContact O-N 3.12Å; P134-F136 PolarHBondContact O-N 2.89Å |
| 137 | G | 94.7 | Very high | 97.2 | Very high | 33 Ų | 33 | 32.1 Ų | 32.1 | 34% | 0.34 | 17% | 0.172 | S | C | . | . | trans | -71.5 | -174.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | H133 P134 Q135 | H133-G137 WeakPolarHBondContact CA-O 3.27Å; H133-G137 WeakPolarHBondContact CB-O 3.43Å; H133-G137 PolarHBondContact ND1-O 2.85Å; P134-G137 PolarHBondContact O-N 2.84Å; Q135-G137 PolarHBondContact O-N 3.1Å | ||
| 138 | S | 97.6 | Very high | 96.7 | Very high | 19 Ų | 19 | 37.6 Ų | 37.6 | 13% | 0.133 | 20% | 0.203 | C | C | . | . | trans | -135.2 | 124.6 | 175 | 174.9 | 0 | 0 | 0 | 0 | 109 | L163 H164 V166 | S138-L163 WeakPolarHBondContact CB-O 3.49Å; S138-L163 PolarHBondContact OG-O 2.82Å; S138-H164 VanDerWaalsContact CB-O 3.3Å; S138-H164 WeakPolarHBondContact CB-O 3.39Å; S138-V166 PolarHBondContact OG-N 2.86Å; S138-V166 VanDerWaalsContact OG-N 3.09Å | ||
| 139 | Q | 98.6 | Very high | 95.9 | Very high | 19 Ų | 19 | 39.9 Ų | 39.9 | 9% | 0.089 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 160.8 | 174.9 | 66.6 | -163.2 | 50.1 | 0 | 0 | 110.2 | N132 P134 E141 T157 I158 K159 | N132-Q139 HydrophobicContact CB-CG 4.04Å; N132-Q139 PolarHBondContact N-O 3.41Å; N132-Q139 PolarHBondContact O-N 3.16Å; P134-Q139 HydrophobicContact CG-CG 4.12Å; Q139-E141 PolarHBondContact NE2-OE1 2.95Å; Q139-T157 HydrophobicContact CB-CG2 4.07Å; Q139-T157 HydrophobicContact CG-CG2 4.09Å; Q139-I158 WeakPolarHBondContact CA-O 3.18Å; Q139-I158 WeakPolarHBondContact CB-O 3.44Å; Q139-K159 HydrophobicContact CB-CD 4.45Å; Q139-K159 HydrophobicContact CB-CG 3.79Å |
| 140 | I | 98.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 131.1 | 173.7 | -65.8 | 73.8 | 0 | 0 | 0 | 107.8 | F129 V130 T157 I158 L163 V166 I169 F177 | F129-I140 HydrophobicContact CD1-CG2 4.09Å; V130-I140 CarbonylContact O-C 3.54Å; V130-I140 WeakPolarHBondContact O-CA 3.28Å; I140-T157 CarbonylContact O-C 3.58Å; I140-T157 WeakPolarHBondContact O-CA 3.22Å; I140-I158 HydrophobicContact CB-CB 4.27Å; I140-I158 PolarHBondContact N-O 2.87Å; I140-I158 PolarHBondContact O-N 2.79Å; I140-L163 HydrophobicContact CD1-CB 4.49Å; I140-L163 HydrophobicContact CD1-CD1 3.97Å; I140-V166 HydrophobicContact CD1-CB 4.46Å; I140-V166 HydrophobicContact CD1-CG1 4.38Å; I140-V166 HydrophobicContact CD1-CG2 4.03Å; I140-I169 HydrophobicContact CG1-CG2 4.32Å; I140-F177 HydrophobicContact CB-CZ 4.18Å; I140-F177 HydrophobicContact CD1-CE2 4.19Å; I140-F177 HydrophobicContact CD1-CZ 4.07Å; I140-F177 HydrophobicContact CG1-CE2 4.02Å; I140-F177 HydrophobicContact CG1-CZ 3.83Å; I140-F177 HydrophobicContact CG2-CE1 4.28Å; I140-F177 HydrophobicContact CG2-CZ 4.28Å |
| 141 | E | 98.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.009 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 132.4 | 170.9 | -50.6 | -62.2 | 175.4 | 0 | 0 | 109.8 | F105 F129 V130 N132 Q139 F143 H154 T157 | F105-E141 HydrophobicContact CE2-CG 4.14Å; F105-E141 HydrophobicContact CZ-CG 4.01Å; F129-E141 CarbonylContact C-O 3.59Å; F129-E141 WeakPolarHBondContact CA-O 3.32Å; V130-E141 HydrophobicContact CB-CB 4.42Å; V130-E141 PolarHBondContact N-O 2.76Å; V130-E141 PolarHBondContact O-N 3.32Å; N132-E141 HydrophobicContact CB-CG 3.75Å; N132-E141 PolarHBondContact ND2-OE1 2.6Å; Q139-E141 PolarHBondContact NE2-OE1 2.95Å; E141-F143 HydrophobicContact CB-CD2 4.04Å; E141-F143 HydrophobicContact CB-CE2 3.28Å; E141-F143 HydrophobicContact CB-CZ 3.65Å; E141-F143 HydrophobicContact CG-CE2 4.11Å; E141-F143 HydrophobicContact CG-CZ 4.15Å; E141-H154 IonicContact OE2-CD2 3.66Å; E141-H154 IonicContact OE2-CE1 3.85Å; E141-H154 IonicContact OE2-NE2 2.73Å; E141-H154 PolarHBondContact OE2-NE2 3.22Å; E141-T157 WeakPolarHBondContact OE2-CA 3.3Å; E141-T157 WeakPolarHBondContact OE2-CB 3.35Å; E141-T157 PolarHBondContact OE2-OG1 2.87Å |
| 142 | I | 98.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 124.1 | 169.8 | -55.9 | -179 | 0 | 0 | 0 | 107.6 | Y127 F129 I155 K156 I158 E175 | Y127-I142 HydrophobicContact CD1-CG2 4.02Å; F129-I142 HydrophobicContact CD1-CD1 4.05Å; F129-I142 HydrophobicContact CD1-CG1 3.72Å; F129-I142 HydrophobicContact CE1-CD1 3.41Å; F129-I142 VanDerWaalsContact CE1-CD1 3.41Å; F129-I142 HydrophobicContact CE1-CG1 3.62Å; F129-I142 HydrophobicContact CE2-CG2 4.48Å; F129-I142 HydrophobicContact CG-CG1 4.36Å; F129-I142 HydrophobicContact CZ-CD1 3.87Å; F129-I142 HydrophobicContact CZ-CG1 4.2Å; F129-I142 HydrophobicContact CZ-CG2 4.42Å; I142-I155 HydrophobicContact CB-CB 4.44Å; I142-I155 HydrophobicContact CG2-CB 4.24Å; I142-I155 WeakPolarHBondContact O-CB 3.5Å; I142-I155 PolarHBondContact O-N 3.22Å; I142-K156 HydrophobicContact CB-CB 4.38Å; I142-K156 PolarHBondContact N-O 2.83Å; I142-K156 PolarHBondContact O-N 2.82Å; I142-I158 HydrophobicContact CD1-CD1 3.52Å; I142-I158 HydrophobicContact CG1-CD1 4.13Å; I142-E175 HydrophobicContact CD1-CB 4.32Å; I142-E175 HydrophobicContact CD1-CG 4.16Å |
| 143 | F | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 148.1 | 172.7 | -57.1 | -88.1 | 0 | 0 | 0 | 110.5 | M101 P102 F105 Y127 L128 V130 E141 L152 V153 H154 | M101-F143 HydrophobicContact CE-CE1 3.88Å; M101-F143 HydrophobicContact CE-CZ 3.77Å; P102-F143 HydrophobicContact CG-CE1 4.41Å; F105-F143 HydrophobicContact CD2-CE1 4.13Å; F105-F143 HydrophobicContact CD2-CZ 4.34Å; F105-F143 HydrophobicContact CE1-CZ 4.27Å; F105-F143 AromaticContact CE2-CE1 3.99Å; F105-F143 HydrophobicContact CE2-CE1 3.99Å; F105-F143 AromaticContact CE2-CZ 3.74Å; F105-F143 HydrophobicContact CE2-CZ 3.74Å; F105-F143 HydrophobicContact CZ-CE1 4.3Å; F105-F143 AromaticContact CZ-CZ 3.72Å; F105-F143 HydrophobicContact CZ-CZ 3.72Å; Y127-F143 CarbonylContact C-O 3.47Å; Y127-F143 VanDerWaalsContact CA-O 3.29Å; Y127-F143 WeakPolarHBondContact CA-O 3.38Å; L128-F143 PolarHBondContact N-O 2.68Å; L128-F143 PolarHBondContact O-N 3.3Å; V130-F143 HydrophobicContact CB-CE2 4.13Å; V130-F143 HydrophobicContact CG2-CD2 3.89Å; V130-F143 HydrophobicContact CG2-CE2 3.84Å; E141-F143 HydrophobicContact CB-CD2 4.04Å; E141-F143 HydrophobicContact CB-CE2 3.28Å; E141-F143 HydrophobicContact CB-CZ 3.65Å; E141-F143 HydrophobicContact CG-CE2 4.11Å; E141-F143 HydrophobicContact CG-CZ 4.15Å; F143-L152 HydrophobicContact CB-CB 4.07Å; F143-L152 HydrophobicContact CB-CD1 4.33Å; F143-L152 HydrophobicContact CB-CD2 3.94Å; F143-L152 HydrophobicContact CB-CG 4.33Å; F143-L152 HydrophobicContact CD1-CB 3.87Å; F143-L152 HydrophobicContact CD1-CD1 4.32Å; F143-L152 HydrophobicContact CD2-CD1 4.29Å; F143-L152 HydrophobicContact CG-CB 4.14Å; F143-L152 HydrophobicContact CG-CD1 4.08Å; F143-L152 HydrophobicContact CG-CG 4.49Å; F143-V153 CarbonylContact C-O 3.52Å; F143-V153 WeakPolarHBondContact CA-O 3.4Å; F143-H154 HydrophobicContact CD1-CB 3.85Å; F143-H154 HydrophobicContact CE1-CB 3.78Å; F143-H154 AromaticContact CE1-CD2 3.65Å |
| 144 | K | 98.2 | Very high | 95.5 | Very high | 77 Ų | 77 | 47.3 Ų | 47.3 | 34% | 0.335 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 127.3 | 160.2 | 176.7 | 172.4 | -179.2 | 157.9 | 0 | 108.6 | T125 V153 I155 | T125-K144 HydrophobicContact CG2-CD 3.77Å; T125-K144 HydrophobicContact CG2-CG 3.83Å; T125-K144 PolarHBondContact OG1-NZ 3.06Å; K144-V153 HydrophobicContact CB-CB 4.39Å; K144-V153 PolarHBondContact N-O 3.33Å; K144-V153 PolarHBondContact O-N 2.94Å; K144-I155 HydrophobicContact CB-CD1 3.92Å; K144-I155 HydrophobicContact CB-CG1 4.09Å |
| 145 | Y | 98 | Very high | 95.5 | Very high | 31 Ų | 31 | 50.2 Ų | 50.2 | 12% | 0.122 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 132.1 | 172.6 | 174.2 | -117.9 | 0 | 0 | 0 | 110.8 | L63 F65 T86 L99 V126 A147 L152 | L63-Y145 HydrophobicContact CD2-CE1 3.69Å; F65-Y145 HydrophobicContact CE1-CD1 4.46Å; F65-Y145 AromaticContact CE1-CD2 3.77Å; F65-Y145 HydrophobicContact CE1-CD2 3.77Å; F65-Y145 HydrophobicContact CE1-CE2 4.12Å; F65-Y145 AromaticContact CE1-CG 3.95Å; F65-Y145 HydrophobicContact CE1-CG 3.95Å; F65-Y145 AromaticContact CZ-CD1 3.82Å; F65-Y145 HydrophobicContact CZ-CD1 3.82Å; F65-Y145 AromaticContact CZ-CD2 3.96Å; F65-Y145 HydrophobicContact CZ-CD2 3.96Å; F65-Y145 HydrophobicContact CZ-CE1 4.13Å; F65-Y145 HydrophobicContact CZ-CE2 4.27Å; F65-Y145 AromaticContact CZ-CG 3.71Å; F65-Y145 HydrophobicContact CZ-CG 3.71Å; T86-Y145 HydrophobicContact CG2-CE2 4.14Å; L99-Y145 HydrophobicContact CD1-CD2 4.3Å; L99-Y145 HydrophobicContact CD1-CE2 4.43Å; L99-Y145 HydrophobicContact CD2-CD2 4.32Å; L99-Y145 HydrophobicContact CD2-CE2 3.75Å; V126-Y145 HydrophobicContact CB-CD1 4.32Å; V126-Y145 HydrophobicContact CG1-CD1 4.32Å; V126-Y145 PolarHBondContact O-N 2.99Å; Y145-A147 HydrophobicContact CE1-CB 3.81Å; Y145-L152 HydrophobicContact CD2-CD2 4.26Å |
| 146 | V | 96.6 | Very high | 95.8 | Very high | 49 Ų | 49 | 45 Ų | 45 | 30% | 0.297 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 104 | 174.5 | -173.4 | 0 | 0 | 0 | 0 | 107.6 | D148 S151 V153 | V146-D148 VanDerWaalsContact C-N 3.32Å; V146-D148 WeakPolarHBondContact CG1-O 3.4Å; V146-D148 PolarHBondContact O-N 2.84Å; V146-S151 PolarHBondContact N-O 3.42Å; V146-S151 PolarHBondContact O-N 2.77Å; V146-S151 VanDerWaalsContact O-N 3.08Å; V146-V153 HydrophobicContact CG2-CG2 3.83Å |
| 147 | A | 91.1 | Very high | 96.2 | Very high | 66 Ų | 66 | 41.5 Ų | 41.5 | 55% | 0.545 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -43 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y145 G149 S150 | Y145-A147 HydrophobicContact CE1-CB 3.81Å; A147-G149 PolarHBondContact O-N 2.81Å; A147-S150 PolarHBondContact O-N 3.09Å; A147-S150 VanDerWaalsContact O-N 3.11Å |
| 148 | D | 87.9 | Confident | 96.4 | Very high | 149 Ų | 149 | 40 Ų | 40 | 80% | 0.797 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | 114 | 173.4 | -172.5 | 23.2 | 0 | 0 | 0 | 110.3 | V146 | V146-D148 VanDerWaalsContact C-N 3.32Å; V146-D148 WeakPolarHBondContact CG1-O 3.4Å; V146-D148 PolarHBondContact O-N 2.84Å |
| 149 | G | 82.6 | Confident | 96.4 | Very high | 48 Ų | 48 | 45.9 Ų | 45.9 | 50% | 0.495 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | 13.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | A147 S151 | A147-G149 PolarHBondContact O-N 2.81Å; G149-S151 PolarHBondContact O-N 2.92Å |
| 150 | S | 93.3 | Very high | 96.4 | Very high | 37 Ų | 37 | 48.1 Ų | 48.1 | 26% | 0.259 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 43.8 | 60.9 | 172.8 | -53.2 | 0 | 0 | 0 | 0 | 112.3 | L99 R100 A147 | L99-S150 WeakPolarHBondContact CA-O 3.49Å; L99-S150 WeakPolarHBondContact CD2-O 3.27Å; R100-S150 PolarHBondContact N-O 2.98Å; A147-S150 PolarHBondContact O-N 3.09Å; A147-S150 VanDerWaalsContact O-N 3.11Å |
| 151 | S | 97.3 | Very high | 96.4 | Very high | 9 Ų | 9 | 55.7 Ų | 55.7 | 6% | 0.063 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 158.8 | -170.1 | 63.9 | 0 | 0 | 0 | 0 | 113.8 | R100 V146 G149 | R100-S151 WeakPolarHBondContact O-CA 3.36Å; R100-S151 WeakPolarHBondContact O-CB 3.11Å; V146-S151 PolarHBondContact N-O 3.42Å; V146-S151 PolarHBondContact O-N 2.77Å; V146-S151 VanDerWaalsContact O-N 3.08Å; G149-S151 PolarHBondContact O-N 2.92Å |
| 152 | L | 98.3 | Very high | 96.4 | Very high | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 136.2 | 175.3 | -66.7 | 179.2 | 0 | 0 | 0 | 110.1 | I84 L99 R100 M101 L128 F143 Y145 | I84-L152 HydrophobicContact CB-CD1 4.22Å; I84-L152 HydrophobicContact CG1-CD1 4.21Å; I84-L152 HydrophobicContact CG2-CD1 4.44Å; L99-L152 HydrophobicContact CB-CD1 4.31Å; L99-L152 HydrophobicContact CB-CG 4.11Å; L99-L152 HydrophobicContact CD1-CD1 3.88Å; L99-L152 HydrophobicContact CD1-CD2 3.69Å; L99-L152 HydrophobicContact CD1-CG 3.67Å; R100-L152 PolarHBondContact O-N 2.53Å; M101-L152 HydrophobicContact SD-CD1 3.86Å; L128-L152 HydrophobicContact CD2-CD1 4.07Å; L128-L152 HydrophobicContact CD2-CD2 4.14Å; F143-L152 HydrophobicContact CB-CB 4.07Å; F143-L152 HydrophobicContact CB-CD1 4.33Å; F143-L152 HydrophobicContact CB-CD2 3.94Å; F143-L152 HydrophobicContact CB-CG 4.33Å; F143-L152 HydrophobicContact CD1-CB 3.87Å; F143-L152 HydrophobicContact CD1-CD1 4.32Å; F143-L152 HydrophobicContact CD2-CD1 4.29Å; F143-L152 HydrophobicContact CG-CB 4.14Å; F143-L152 HydrophobicContact CG-CD1 4.08Å; F143-L152 HydrophobicContact CG-CG 4.49Å; Y145-L152 HydrophobicContact CD2-CD2 4.26Å |
| 153 | V | 97.9 | Very high | 96.3 | Very high | 69 Ų | 69 | 57.9 Ų | 57.9 | 42% | 0.418 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 116.8 | 168.3 | 179 | 0 | 0 | 0 | 0 | 107.6 | F143 K144 V146 I155 | F143-V153 CarbonylContact C-O 3.52Å; F143-V153 WeakPolarHBondContact CA-O 3.4Å; K144-V153 HydrophobicContact CB-CB 4.39Å; K144-V153 PolarHBondContact N-O 3.33Å; K144-V153 PolarHBondContact O-N 2.94Å; V146-V153 HydrophobicContact CG2-CG2 3.83Å; V153-I155 HydrophobicContact CG1-CD1 4.18Å; V153-I155 PolarHBondContact O-N 2.05Å |
| 154 | H | 98.4 | Very high | 96.3 | Very high | 58 Ų | 58 | 60.1 Ų | 60.1 | 27% | 0.269 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 129.3 | 176.3 | -178.5 | -115.2 | 0 | 0 | 0 | 110.1 | P102 F105 E141 F143 K156 T157 | P102-H154 HydrophobicContact CG-CB 3.67Å; F105-H154 HydrophobicContact CD2-CB 4.19Å; F105-H154 AromaticContact CD2-CD2 3.87Å; F105-H154 AromaticContact CD2-CG 3.89Å; F105-H154 AromaticContact CE2-CD2 3.74Å; F105-H154 AromaticContact CE2-NE2 3.88Å; E141-H154 IonicContact OE2-CD2 3.66Å; E141-H154 IonicContact OE2-CE1 3.85Å; E141-H154 IonicContact OE2-NE2 2.73Å; E141-H154 PolarHBondContact OE2-NE2 3.22Å; F143-H154 HydrophobicContact CD1-CB 3.85Å; F143-H154 HydrophobicContact CE1-CB 3.78Å; F143-H154 AromaticContact CE1-CD2 3.65Å; H154-K156 VanDerWaalsContact NE2-C 3.35Å; H154-K156 PolarHBondContact NE2-O 3Å; H154-T157 PolarHBondContact CE1-OG1 2.7Å; H154-T157 PolarHBondContact NE2-OG1 3.02Å |
| 155 | I | 98.1 | Very high | 96.3 | Very high | 81 Ų | 81 | 56.6 Ų | 56.6 | 42% | 0.415 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | -47.2 | -178.6 | -55.4 | -56.6 | 0 | 0 | 0 | 109.8 | I142 K144 V153 | I142-I155 HydrophobicContact CB-CB 4.44Å; I142-I155 HydrophobicContact CG2-CB 4.24Å; I142-I155 WeakPolarHBondContact O-CB 3.5Å; I142-I155 PolarHBondContact O-N 3.22Å; K144-I155 HydrophobicContact CB-CD1 3.92Å; K144-I155 HydrophobicContact CB-CG1 4.09Å; V153-I155 HydrophobicContact CG1-CD1 4.18Å; V153-I155 PolarHBondContact O-N 2.05Å |
| 156 | K | 98 | Very high | 96.3 | Very high | 63 Ų | 63 | 55.1 Ų | 55.1 | 27% | 0.274 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 144.2 | -170.2 | -165 | 168.4 | -177.9 | 170.8 | 0 | 112.5 | I142 H154 I158 E175 | I142-K156 HydrophobicContact CB-CB 4.38Å; I142-K156 PolarHBondContact N-O 2.83Å; I142-K156 PolarHBondContact O-N 2.82Å; H154-K156 VanDerWaalsContact NE2-C 3.35Å; H154-K156 PolarHBondContact NE2-O 3Å; K156-I158 HydrophobicContact CD-CG1 4.25Å; K156-I158 HydrophobicContact CG-CG1 4.18Å; K156-E175 WeakPolarHBondContact CD-OE1 3.09Å; K156-E175 IonicContact NZ-OE1 3.7Å; K156-E175 PolarHBondContact NZ-OE1 2.61Å; K156-E175 IonicContact NZ-OE2 3.74Å; K156-E175 PolarHBondContact NZ-OE2 3.22Å |
| 157 | T | 98.6 | Very high | 96.4 | Very high | 57 Ų | 57 | 53 Ų | 53 | 35% | 0.35 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 130 | 163.3 | -56.5 | 0 | 0 | 0 | 0 | 108.7 | Q139 I140 E141 H154 K159 | Q139-T157 HydrophobicContact CB-CG2 4.07Å; Q139-T157 HydrophobicContact CG-CG2 4.09Å; I140-T157 CarbonylContact O-C 3.58Å; I140-T157 WeakPolarHBondContact O-CA 3.22Å; E141-T157 WeakPolarHBondContact OE2-CA 3.3Å; E141-T157 WeakPolarHBondContact OE2-CB 3.35Å; E141-T157 PolarHBondContact OE2-OG1 2.87Å; H154-T157 PolarHBondContact CE1-OG1 2.7Å; H154-T157 PolarHBondContact NE2-OG1 3.02Å; T157-K159 HydrophobicContact CG2-CG 4.48Å |
| 158 | I | 98.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 127.7 | 179.3 | -68.6 | 165.3 | 0 | 0 | 0 | 109.2 | Q139 I140 I142 K156 L163 F177 Y207 | Q139-I158 WeakPolarHBondContact CA-O 3.18Å; Q139-I158 WeakPolarHBondContact CB-O 3.44Å; I140-I158 HydrophobicContact CB-CB 4.27Å; I140-I158 PolarHBondContact N-O 2.87Å; I140-I158 PolarHBondContact O-N 2.79Å; I142-I158 HydrophobicContact CD1-CD1 3.52Å; I142-I158 HydrophobicContact CG1-CD1 4.13Å; K156-I158 HydrophobicContact CD-CG1 4.25Å; K156-I158 HydrophobicContact CG-CG1 4.18Å; I158-L163 HydrophobicContact CG2-CD1 4.16Å; I158-F177 HydrophobicContact CD1-CE1 3.88Å; I158-F177 HydrophobicContact CG2-CZ 4.22Å; I158-Y207 HydrophobicContact CD1-CD1 4.26Å; I158-Y207 HydrophobicContact CD1-CE1 3.6Å; I158-Y207 HydrophobicContact CG1-CE1 4.21Å; I158-Y207 HydrophobicContact CG2-CD1 4.37Å; I158-Y207 HydrophobicContact CG2-CD2 3.98Å; I158-Y207 HydrophobicContact CG2-CE1 3.94Å; I158-Y207 HydrophobicContact CG2-CE2 3.47Å; I158-Y207 VanDerWaalsContact CG2-CE2 3.47Å; I158-Y207 HydrophobicContact CG2-CG 4.41Å; I158-Y207 VanDerWaalsContact CG2-CZ 3.45Å |
| 159 | K | 98.4 | Very high | 97.3 | Very high | 141 Ų | 141 | 43 Ų | 43 | 61% | 0.613 | 23% | 0.228 | S | C | * | . | trans | -131.1 | 141.5 | 171.7 | -62.4 | -175.4 | -176.9 | -161.6 | 0 | 108.5 | Q139 T157 | Q139-K159 HydrophobicContact CB-CD 4.45Å; Q139-K159 HydrophobicContact CB-CG 3.79Å; T157-K159 HydrophobicContact CG2-CG 4.48Å | ||
| 160 | H | 98.4 | Very high | 98.1 | Very high | 66 Ų | 66 | 41 Ų | 41 | 31% | 0.306 | 21% | 0.206 | S | C | . | . | trans | -153.8 | 150 | 175 | -163.4 | -92.9 | 0 | 0 | 0 | 109.7 | L162 L163 | H160-L162 PolarHBondContact ND1-N 3.39Å; H160-L162 VanDerWaalsContact ND1-N 3.18Å; H160-L162 PolarHBondContact O-N 3.34Å; H160-L163 HydrophobicContact CB-CB 4.22Å; H160-L163 HydrophobicContact CB-CD1 3.94Å; H160-L163 HydrophobicContact CB-CG 4.05Å; H160-L163 CarbonylContact O-C 3.57Å; H160-L163 PolarHBondContact O-N 2.86Å | ||
| 161 | E | 97.7 | Very high | 98.3 | Very high | 160 Ų | 160 | 39.5 Ų | 39.5 | 75% | 0.748 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -31.9 | 178.9 | 62.2 | -179.5 | -167.7 | 0 | 0 | 112.9 | L163 H164 | E161-L163 VanDerWaalsContact C-N 3.29Å; E161-L163 PolarHBondContact O-N 3.27Å; E161-H164 PolarHBondContact O-ND1 2.96Å; E161-H164 VanDerWaalsContact O-ND1 3.16Å |
| 162 | L | 98.6 | Very high | 98.4 | Very high | 46 Ų | 46 | 40.4 Ų | 40.4 | 24% | 0.241 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -13.5 | 174.9 | -59.9 | -177.4 | 0 | 0 | 0 | 113.2 | H160 H164 N181 V205 V212 V214 | H160-L162 PolarHBondContact ND1-N 3.39Å; H160-L162 VanDerWaalsContact ND1-N 3.18Å; H160-L162 PolarHBondContact O-N 3.34Å; L162-H164 PolarHBondContact O-ND1 2.87Å; L162-N181 PolarHBondContact O-ND2 3.33Å; L162-V205 HydrophobicContact CB-CG1 4.03Å; L162-V205 HydrophobicContact CB-CG2 4.13Å; L162-V205 WeakPolarHBondContact O-CG2 3.22Å; L162-V212 HydrophobicContact CB-CG1 4.37Å; L162-V212 HydrophobicContact CD1-CG1 4.18Å; L162-V214 HydrophobicContact CD2-CG2 4.36Å |
| 163 | L | 98.6 | Very high | 98.4 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | trans | -107.4 | 52 | -178.8 | -63.9 | 174.9 | 0 | 0 | 0 | 110.6 | S138 I140 I158 H160 E161 V166 F177 A179 V205 Y207 | S138-L163 WeakPolarHBondContact CB-O 3.49Å; S138-L163 PolarHBondContact OG-O 2.82Å; I140-L163 HydrophobicContact CD1-CB 4.49Å; I140-L163 HydrophobicContact CD1-CD1 3.97Å; I158-L163 HydrophobicContact CG2-CD1 4.16Å; H160-L163 HydrophobicContact CB-CB 4.22Å; H160-L163 HydrophobicContact CB-CD1 3.94Å; H160-L163 HydrophobicContact CB-CG 4.05Å; H160-L163 CarbonylContact O-C 3.57Å; H160-L163 PolarHBondContact O-N 2.86Å; E161-L163 VanDerWaalsContact C-N 3.29Å; E161-L163 PolarHBondContact O-N 3.27Å; L163-V166 HydrophobicContact CB-CG2 3.72Å; L163-V166 HydrophobicContact CD2-CG2 3.87Å; L163-V166 HydrophobicContact CG-CG2 4.37Å; L163-F177 HydrophobicContact CD1-CE2 4.1Å; L163-F177 HydrophobicContact CD1-CZ 4.01Å; L163-F177 HydrophobicContact CD2-CE2 4.38Å; L163-A179 HydrophobicContact CD2-CB 3.62Å; L163-V205 HydrophobicContact CD2-CB 3.91Å; L163-V205 HydrophobicContact CD2-CG1 3.77Å; L163-V205 HydrophobicContact CG-CG1 4.39Å; L163-Y207 HydrophobicContact CD1-CD2 3.87Å; L163-Y207 HydrophobicContact CD1-CG 4.33Å | ||
| 164 | H | 97.1 | Very high | 98.3 | Very high | 47 Ų | 47 | 39.4 Ų | 39.4 | 22% | 0.218 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -87.2 | -22.4 | -166.8 | 51.5 | -87.6 | 0 | 0 | 0 | 114.5 | S138 E161 L162 N181 H183 | S138-H164 VanDerWaalsContact CB-O 3.3Å; S138-H164 WeakPolarHBondContact CB-O 3.39Å; E161-H164 PolarHBondContact O-ND1 2.96Å; E161-H164 VanDerWaalsContact O-ND1 3.16Å; L162-H164 PolarHBondContact O-ND1 2.87Å; H164-N181 PolarHBondContact N-OD1 2.87Å; H164-H183 PolarHBondContact NE2-O 2.97Å |
| 165 | S | 98.1 | Very high | 98.3 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 3% | 0.028 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -145.9 | 57.2 | 178.4 | -162.2 | 0 | 0 | 0 | 0 | 110 | N181 D182 K191 | S165-N181 PolarHBondContact N-OD1 2.95Å; S165-N181 CarbonylContact O-C 3.48Å; S165-N181 WeakPolarHBondContact O-CA 3.38Å; S165-D182 WeakPolarHBondContact CB-OD1 3.34Å; S165-D182 PolarHBondContact O-N 2.89Å; S165-D182 PolarHBondContact OG-OD1 3.06Å; S165-K191 PolarHBondContact OG-NZ 2.75Å |
| 166 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 134.6 | -173.5 | -179.1 | 0 | 0 | 0 | 0 | 110.1 | V131 H133 S138 I140 L163 I169 A179 T180 | V131-V166 HydrophobicContact CB-CG1 4.4Å; V131-V166 HydrophobicContact CG1-CB 4.01Å; V131-V166 HydrophobicContact CG1-CG1 3.86Å; V131-V166 WeakPolarHBondContact CG1-O 3.31Å; V131-V166 HydrophobicContact CG2-CG1 3.6Å; H133-V166 PolarHBondContact CE1-O 2.84Å; H133-V166 PolarHBondContact NE2-O 2.82Å; S138-V166 PolarHBondContact OG-N 2.86Å; S138-V166 VanDerWaalsContact OG-N 3.09Å; I140-V166 HydrophobicContact CD1-CB 4.46Å; I140-V166 HydrophobicContact CD1-CG1 4.38Å; I140-V166 HydrophobicContact CD1-CG2 4.03Å; L163-V166 HydrophobicContact CB-CG2 3.72Å; L163-V166 HydrophobicContact CD2-CG2 3.87Å; L163-V166 HydrophobicContact CG-CG2 4.37Å; V166-I169 HydrophobicContact CG1-CG2 3.79Å; V166-A179 HydrophobicContact CG1-CB 4.06Å; V166-A179 HydrophobicContact CG2-CB 4.45Å; V166-T180 CarbonylContact C-O 3.5Å; V166-T180 VanDerWaalsContact CA-O 3.24Å; V166-T180 WeakPolarHBondContact CA-O 3.4Å |
| 167 | N | 98.9 | Very high | 98.3 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | -57 | 176.9 | 175 | -83.4 | 0 | 0 | 0 | 110.4 | H113 G114 T180 D182 N223 | H113-N167 PolarHBondContact CE1-ND2 3.19Å; H113-N167 PolarHBondContact ND1-O 3.38Å; G114-N167 PolarHBondContact N-O 3.41Å; N167-T180 PolarHBondContact N-O 3.05Å; N167-D182 HydrophobicContact CB-CB 3.62Å; N167-D182 PolarHBondContact ND2-OD2 3.42Å; N167-N223 PolarHBondContact ND2-ND2 3.24Å; N167-N223 VanDerWaalsContact OD1-CA 3.31Å; N167-N223 WeakPolarHBondContact OD1-CA 3.35Å; N167-N223 VanDerWaalsContact OD1-CG 3.25Å; N167-N223 PolarHBondContact OD1-OD1 3.3Å; N167-N223 VanDerWaalsContact OD1-OD1 3.12Å |
| 168 | D | 98.9 | Very high | 98.4 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 165.5 | 179.3 | -170.3 | 25.4 | 0 | 0 | 0 | 111.8 | G114 A179 T180 G224 I225 | G114-D168 WeakPolarHBondContact CA-OD1 3.36Å; D168-A179 WeakPolarHBondContact O-CA 3.25Å; D168-T180 PolarHBondContact N-OG1 2.9Å; D168-T180 PolarHBondContact O-N 2.65Å; D168-T180 PolarHBondContact O-OG1 2.75Å; D168-G224 WeakPolarHBondContact OD2-CA 3.45Å; D168-I225 HydrophobicContact CB-CG2 4.22Å; D168-I225 PolarHBondContact OD2-N 2.97Å |
| 169 | I | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 153.2 | -177.3 | 61.5 | 113 | 0 | 0 | 0 | 112.2 | S116 F129 V131 I140 V166 F177 Y178 A179 | S116-I169 WeakPolarHBondContact CB-O 3.4Å; F129-I169 HydrophobicContact CB-CD1 3.24Å; F129-I169 HydrophobicContact CB-CG1 4.41Å; F129-I169 HydrophobicContact CD1-CD1 4.19Å; F129-I169 HydrophobicContact CG-CD1 3.94Å; V131-I169 HydrophobicContact CG2-CB 4.49Å; V131-I169 HydrophobicContact CG2-CG1 4.1Å; V131-I169 HydrophobicContact CG2-CG2 3.74Å; I140-I169 HydrophobicContact CG1-CG2 4.32Å; V166-I169 HydrophobicContact CG1-CG2 3.79Å; I169-F177 HydrophobicContact CB-CD2 4.22Å; I169-F177 HydrophobicContact CG2-CD2 3.91Å; I169-F177 HydrophobicContact CG2-CE2 4.19Å; I169-Y178 CarbonylContact C-O 3.56Å; I169-Y178 WeakPolarHBondContact CA-O 3.45Å; I169-Y178 WeakPolarHBondContact CB-O 3.23Å; I169-A179 HydrophobicContact CG2-CB 3.69Å |
| 170 | V | 98.9 | Very high | 98.4 | Very high | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.03 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 118.3 | 165.7 | 59.9 | 0 | 0 | 0 | 0 | 110.3 | F177 Y178 I225 M227 I234 | V170-F177 CarbonylContact O-C 3.56Å; V170-F177 WeakPolarHBondContact O-CA 3.22Å; V170-F177 VanDerWaalsContact O-CB 3.28Å; V170-F177 WeakPolarHBondContact O-CB 3.32Å; V170-Y178 HydrophobicContact CG1-CD2 4.22Å; V170-Y178 PolarHBondContact N-O 3.18Å; V170-Y178 PolarHBondContact O-N 2.86Å; V170-I225 HydrophobicContact CG1-CD1 4.17Å; V170-I225 HydrophobicContact CG1-CG1 3.88Å; V170-I225 HydrophobicContact CG1-CG2 4.48Å; V170-M227 HydrophobicContact CG2-CB 3.86Å; V170-I234 HydrophobicContact CG1-CD1 4.15Å |
| 171 | A | 98.8 | Very high | 98.4 | Very high | 7 Ų | 7 | 20.9 Ų | 20.9 | 6% | 0.058 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 133 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S116 F129 | S116-A171 PolarHBondContact OG-N 3.05Å; F129-A171 HydrophobicContact CD2-CB 3.68Å; F129-A171 HydrophobicContact CE2-CB 3.73Å; F129-A171 HydrophobicContact CG-CB 4.16Å; F129-A171 HydrophobicContact CZ-CB 4.22Å |
| 172 | V | 98.1 | Very high | 98.4 | Very high | 28 Ų | 28 | 13.4 Ų | 13.4 | 17% | 0.17 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 10.7 | 179.6 | -58.5 | 0 | 0 | 0 | 0 | 112.5 | S176 Y178 F206 M227 | V172-S176 WeakPolarHBondContact CG2-O 3.1Å; V172-S176 PolarHBondContact N-O 3.26Å; V172-Y178 HydrophobicContact CG1-CD2 3.92Å; V172-Y178 HydrophobicContact CG1-CE2 3.94Å; V172-Y178 HydrophobicContact CG2-CD2 4.47Å; V172-Y178 HydrophobicContact CG2-CE2 4.26Å; V172-F206 HydrophobicContact CG2-CE2 4.12Å; V172-M227 HydrophobicContact CG1-CE 3.87Å; V172-M227 HydrophobicContact CG1-SD 3.87Å |
| 173 | G | 97.6 | Very high | 98.4 | Very high | 7 Ų | 7 | 11.4 Ų | 11.4 | 7% | 0.072 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.1 | 176.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | F129 E175 S176 | F129-G173 VanDerWaalsContact CZ-O 3.28Å; F129-G173 WeakPolarHBondContact CZ-O 3.13Å; G173-E175 PolarHBondContact O-N 3.18Å; G173-S176 WeakPolarHBondContact CA-OG 3.46Å; G173-S176 PolarHBondContact N-O 2.81Å; G173-S176 PolarHBondContact N-OG 3.47Å |
| 174 | V | 97.5 | Very high | 98.4 | Very high | 45 Ų | 45 | 17.7 Ų | 17.7 | 27% | 0.273 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -28.3 | -178.2 | 179.1 | 0 | 0 | 0 | 0 | 113.4 | Y118 D120 Y127 F129 | Y118-V174 HydrophobicContact CD1-CG2 4.21Å; Y118-V174 HydrophobicContact CE1-CG2 3.83Å; D120-V174 HydrophobicContact CB-CG2 4.45Å; D120-V174 WeakPolarHBondContact OD2-CG2 3.26Å; Y127-V174 HydrophobicContact CD1-CG1 4.29Å; Y127-V174 HydrophobicContact CD2-CG1 4.29Å; Y127-V174 HydrophobicContact CD2-CG2 4.3Å; Y127-V174 HydrophobicContact CE1-CG1 3.82Å; Y127-V174 HydrophobicContact CE2-CB 4.38Å; Y127-V174 HydrophobicContact CE2-CG1 3.81Å; Y127-V174 HydrophobicContact CE2-CG2 3.87Å; F129-V174 VanDerWaalsContact CZ-O 3.28Å; F129-V174 WeakPolarHBondContact CZ-O 3.33Å |
| 175 | E | 97.3 | Very high | 98.3 | Very high | 54 Ų | 54 | 18.1 Ų | 18.1 | 25% | 0.252 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -141.3 | 26.1 | 175.7 | -59.6 | -165.5 | 152.3 | 0 | 0 | 112.6 | I142 K156 G173 Y207 P209 | I142-E175 HydrophobicContact CD1-CB 4.32Å; I142-E175 HydrophobicContact CD1-CG 4.16Å; K156-E175 WeakPolarHBondContact CD-OE1 3.09Å; K156-E175 IonicContact NZ-OE1 3.7Å; K156-E175 PolarHBondContact NZ-OE1 2.61Å; K156-E175 IonicContact NZ-OE2 3.74Å; K156-E175 PolarHBondContact NZ-OE2 3.22Å; G173-E175 PolarHBondContact O-N 3.18Å; E175-Y207 WeakPolarHBondContact O-CD1 3.44Å; E175-Y207 WeakPolarHBondContact O-CE1 3.15Å; E175-P209 HydrophobicContact CB-CG 3.87Å; E175-P209 WeakPolarHBondContact O-CD 3.15Å; E175-P209 WeakPolarHBondContact OE2-CG 3.21Å |
| 176 | S | 98.6 | Very high | 97.9 | Very high | 24 Ų | 24 | 23 Ų | 23 | 17% | 0.168 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 138.3 | -178.4 | 54.4 | 0 | 0 | 0 | 0 | 111.8 | V172 G173 Y207 | V172-S176 WeakPolarHBondContact CG2-O 3.1Å; V172-S176 PolarHBondContact N-O 3.26Å; G173-S176 WeakPolarHBondContact CA-OG 3.46Å; G173-S176 PolarHBondContact N-O 2.81Å; G173-S176 PolarHBondContact N-OG 3.47Å; S176-Y207 WeakPolarHBondContact CA-O 3.28Å; S176-Y207 WeakPolarHBondContact CB-O 3.44Å |
| 177 | F | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 163.4 | -173.7 | 54.1 | -91 | 0 | 0 | 0 | 111.2 | F129 I140 I158 L163 I169 V170 A179 Y207 | F129-F177 AromaticContact CD1-CD1 3.91Å; F129-F177 HydrophobicContact CD1-CD1 3.91Å; F129-F177 HydrophobicContact CD1-CE1 4.39Å; F129-F177 AromaticContact CE1-CD1 3.7Å; F129-F177 HydrophobicContact CE1-CD1 3.7Å; F129-F177 HydrophobicContact CE1-CE1 4.28Å; I140-F177 HydrophobicContact CB-CZ 4.18Å; I140-F177 HydrophobicContact CD1-CE2 4.19Å; I140-F177 HydrophobicContact CD1-CZ 4.07Å; I140-F177 HydrophobicContact CG1-CE2 4.02Å; I140-F177 HydrophobicContact CG1-CZ 3.83Å; I140-F177 HydrophobicContact CG2-CE1 4.28Å; I140-F177 HydrophobicContact CG2-CZ 4.28Å; I158-F177 HydrophobicContact CD1-CE1 3.88Å; I158-F177 HydrophobicContact CG2-CZ 4.22Å; L163-F177 HydrophobicContact CD1-CE2 4.1Å; L163-F177 HydrophobicContact CD1-CZ 4.01Å; L163-F177 HydrophobicContact CD2-CE2 4.38Å; I169-F177 HydrophobicContact CB-CD2 4.22Å; I169-F177 HydrophobicContact CG2-CD2 3.91Å; I169-F177 HydrophobicContact CG2-CE2 4.19Å; V170-F177 CarbonylContact O-C 3.56Å; V170-F177 WeakPolarHBondContact O-CA 3.22Å; V170-F177 VanDerWaalsContact O-CB 3.28Å; V170-F177 WeakPolarHBondContact O-CB 3.32Å; F177-A179 HydrophobicContact CD2-CB 4Å; F177-A179 HydrophobicContact CE2-CB 3.96Å; F177-Y207 HydrophobicContact CD1-CD1 4.01Å; F177-Y207 AromaticContact CE1-CD1 3.35Å; F177-Y207 HydrophobicContact CE1-CD1 3.35Å; F177-Y207 HydrophobicContact CE1-CE1 4.11Å; F177-Y207 AromaticContact CE1-CG 3.8Å; F177-Y207 HydrophobicContact CE1-CG 3.8Å; F177-Y207 HydrophobicContact CE2-CG 4.25Å; F177-Y207 AromaticContact CZ-CD1 3.7Å; F177-Y207 HydrophobicContact CZ-CD1 3.7Å; F177-Y207 HydrophobicContact CZ-CD2 4.41Å; F177-Y207 AromaticContact CZ-CG 3.63Å; F177-Y207 HydrophobicContact CZ-CG 3.63Å; F177-Y207 PolarHBondContact N-O 2.81Å; F177-Y207 VanDerWaalsContact N-O 3.09Å; F177-Y207 PolarHBondContact O-N 2.97Å |
| 178 | Y | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 144.2 | 159.7 | -63.4 | -88.5 | 0 | 0 | 0 | 108.9 | I169 V170 V172 V204 V205 F206 V215 I234 K249 N253 L255 | I169-Y178 CarbonylContact C-O 3.56Å; I169-Y178 WeakPolarHBondContact CA-O 3.45Å; I169-Y178 WeakPolarHBondContact CB-O 3.23Å; V170-Y178 HydrophobicContact CG1-CD2 4.22Å; V170-Y178 PolarHBondContact N-O 3.18Å; V170-Y178 PolarHBondContact O-N 2.86Å; V172-Y178 HydrophobicContact CG1-CD2 3.92Å; V172-Y178 HydrophobicContact CG1-CE2 3.94Å; V172-Y178 HydrophobicContact CG2-CD2 4.47Å; V172-Y178 HydrophobicContact CG2-CE2 4.26Å; Y178-V204 HydrophobicContact CD1-CG1 4.39Å; Y178-V205 CarbonylContact C-O 3.59Å; Y178-V205 WeakPolarHBondContact CA-O 3.2Å; Y178-F206 HydrophobicContact CD1-CB 3.92Å; Y178-F206 AromaticContact CD1-CD2 3.98Å; Y178-F206 HydrophobicContact CD1-CD2 3.98Å; Y178-F206 HydrophobicContact CD1-CG 4.45Å; Y178-F206 HydrophobicContact CD2-CD2 4.39Å; Y178-F206 HydrophobicContact CE1-CB 3.79Å; Y178-F206 AromaticContact CE1-CD2 3.63Å; Y178-F206 HydrophobicContact CE1-CD2 3.63Å; Y178-F206 HydrophobicContact CE1-CG 4.08Å; Y178-F206 HydrophobicContact CE2-CD2 4.06Å; Y178-F206 HydrophobicContact CE2-CE2 4.45Å; Y178-F206 HydrophobicContact CG-CD2 4.36Å; Y178-F206 AromaticContact CZ-CD2 3.67Å; Y178-V215 HydrophobicContact CD1-CG2 3.87Å; Y178-V215 HydrophobicContact CE1-CG2 4Å; Y178-I234 HydrophobicContact CD2-CD1 3.91Å; Y178-I234 HydrophobicContact CD2-CG1 4.39Å; Y178-I234 HydrophobicContact CE2-CD1 4.08Å; Y178-I234 HydrophobicContact CE2-CG1 4.37Å; Y178-K249 HydrophobicContact CE2-CD 3.92Å; Y178-K249 VanDerWaalsContact OH-CE 3.27Å; Y178-K249 WeakPolarHBondContact OH-CE 3.29Å; Y178-K249 WeakPolarHBondContact OH-CG 3.49Å; Y178-N253 VanDerWaalsContact CE1-O 3.29Å; Y178-N253 WeakPolarHBondContact CE1-O 3.46Å; Y178-N253 VanDerWaalsContact OH-CA 3.28Å; Y178-N253 WeakPolarHBondContact OH-CA 3.25Å; Y178-N253 WeakPolarHBondContact OH-CB 3.11Å; Y178-N253 PolarHBondContact OH-O 2.84Å; Y178-L255 HydrophobicContact CD1-CD1 4.02Å; Y178-L255 HydrophobicContact CD1-CG 4.46Å; Y178-L255 HydrophobicContact CE1-CD1 4.04Å; Y178-L255 HydrophobicContact CE1-CD2 3.82Å; Y178-L255 HydrophobicContact CE1-CG 3.96Å |
| 179 | A | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 138.1 | -178 | 0 | 0 | 0 | 0 | 0 | 110.3 | L163 V166 D168 I169 F177 V204 V205 | L163-A179 HydrophobicContact CD2-CB 3.62Å; V166-A179 HydrophobicContact CG1-CB 4.06Å; V166-A179 HydrophobicContact CG2-CB 4.45Å; D168-A179 WeakPolarHBondContact O-CA 3.25Å; I169-A179 HydrophobicContact CG2-CB 3.69Å; F177-A179 HydrophobicContact CD2-CB 4Å; F177-A179 HydrophobicContact CE2-CB 3.96Å; A179-V204 CarbonylContact O-C 3.58Å; A179-V204 VanDerWaalsContact O-CA 3.24Å; A179-V204 WeakPolarHBondContact O-CA 3.18Å; A179-V205 PolarHBondContact N-O 2.81Å; A179-V205 PolarHBondContact O-N 2.87Å |
| 180 | T | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 129.9 | 167.7 | 47.1 | 0 | 0 | 0 | 0 | 109.3 | V166 N167 D168 N203 V204 A222 N223 I225 V236 | V166-T180 CarbonylContact C-O 3.5Å; V166-T180 VanDerWaalsContact CA-O 3.24Å; V166-T180 WeakPolarHBondContact CA-O 3.4Å; N167-T180 PolarHBondContact N-O 3.05Å; D168-T180 PolarHBondContact N-OG1 2.9Å; D168-T180 PolarHBondContact O-N 2.65Å; D168-T180 PolarHBondContact O-OG1 2.75Å; T180-N203 WeakPolarHBondContact CA-O 3.35Å; T180-V204 HydrophobicContact CG2-CG2 4.16Å; T180-A222 HydrophobicContact CG2-CB 4.05Å; T180-N223 VanDerWaalsContact CB-O 3.26Å; T180-N223 WeakPolarHBondContact CB-O 3.19Å; T180-N223 WeakPolarHBondContact CG2-O 3.39Å; T180-N223 PolarHBondContact OG1-O 3.26Å; T180-I225 HydrophobicContact CG2-CB 3.86Å; T180-I225 HydrophobicContact CG2-CD1 4.17Å; T180-I225 HydrophobicContact CG2-CG2 4.14Å; T180-V236 HydrophobicContact CG2-CG1 3.87Å |
| 181 | N | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 124.9 | 159.9 | -68.7 | -72.6 | 0 | 0 | 0 | 108.1 | L162 H164 S165 T202 N203 | L162-N181 PolarHBondContact O-ND2 3.33Å; H164-N181 PolarHBondContact N-OD1 2.87Å; S165-N181 PolarHBondContact N-OD1 2.95Å; S165-N181 CarbonylContact O-C 3.48Å; S165-N181 WeakPolarHBondContact O-CA 3.38Å; N181-T202 VanDerWaalsContact O-CB 3.22Å; N181-T202 WeakPolarHBondContact O-CB 3.14Å; N181-N203 PolarHBondContact N-O 2.85Å; N181-N203 PolarHBondContact ND2-OD1 3.23Å; N181-N203 PolarHBondContact O-N 2.93Å |
| 182 | D | 98 | Very high | 96.2 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -87.5 | -7 | -175.5 | 64.9 | 2.9 | 0 | 0 | 0 | 114.9 | S165 N167 T202 F221 A222 | S165-D182 WeakPolarHBondContact CB-OD1 3.34Å; S165-D182 PolarHBondContact O-N 2.89Å; S165-D182 PolarHBondContact OG-OD1 3.06Å; N167-D182 HydrophobicContact CB-CB 3.62Å; N167-D182 PolarHBondContact ND2-OD2 3.42Å; D182-T202 VanDerWaalsContact C-CG2 3.4Å; D182-T202 WeakPolarHBondContact O-CG2 3.3Å; D182-F221 HydrophobicContact CB-CD2 3.74Å; D182-F221 HydrophobicContact CB-CE2 3.66Å; D182-F221 WeakPolarHBondContact O-CD2 3.48Å; D182-A222 VanDerWaalsContact CA-O 3.3Å; D182-A222 WeakPolarHBondContact CA-O 3.46Å; D182-A222 VanDerWaalsContact CB-O 3.3Å; D182-A222 WeakPolarHBondContact CB-O 3.44Å |
| 183 | H | 98 | Very high | 96 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.019 | 24% | 0.242 | C | C | . | . | trans | -145.2 | 148.2 | 175.6 | -66 | 83.2 | 0 | 0 | 0 | 110 | H164 K191 E194 I195 F221 | H164-H183 PolarHBondContact NE2-O 2.97Å; H183-K191 HydrophobicContact CB-CD 4.07Å; H183-K191 HydrophobicContact CB-CG 3.87Å; H183-K191 WeakPolarHBondContact CD2-CB 3.4Å; H183-K191 VanDerWaalsContact CD2-CG 3.47Å; H183-K191 WeakPolarHBondContact CD2-CG 3.33Å; H183-E194 IonicContact CD2-OE2 3.99Å; H183-I195 VanDerWaalsContact NE2-CD1 3.32Å; H183-I195 WeakPolarHBondContact NE2-CD1 3.48Å; H183-F221 AromaticContact CE1-CE2 3.97Å | ||
| 184 | Y | 97.4 | Very high | 95.9 | Very high | 133 Ų | 133 | 46.8 Ų | 46.8 | 52% | 0.522 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -79.9 | -39 | 166.5 | 176.8 | -95.8 | 0 | 0 | 0 | 112 | E194 W201 | Y184-E194 PolarHBondContact N-OE1 3.5Å; Y184-E194 PolarHBondContact N-OE2 2.81Å; Y184-W201 HydrophobicContact CD2-CB 4.49Å; Y184-W201 HydrophobicContact CG-CB 4.17Å |
| 185 | F | 95.4 | Very high | 95.7 | Very high | 56 Ų | 56 | 45.6 Ų | 45.6 | 25% | 0.246 | 23% | 0.232 | C | C | . | . | trans | -89.4 | 148.5 | -178 | -65.1 | -69.9 | 0 | 0 | 0 | 113.1 | L190 K191 E194 W201 | F185-L190 HydrophobicContact CB-CB 3.67Å; F185-L190 HydrophobicContact CB-CD1 4.45Å; F185-L190 HydrophobicContact CD1-CB 4.14Å; F185-L190 HydrophobicContact CD1-CD1 3.65Å; F185-L190 HydrophobicContact CD2-CB 3.61Å; F185-L190 HydrophobicContact CD2-CD1 4.49Å; F185-L190 HydrophobicContact CE1-CD1 3.91Å; F185-L190 HydrophobicContact CE2-CB 4.18Å; F185-L190 HydrophobicContact CG-CB 3.55Å; F185-L190 HydrophobicContact CG-CD1 3.97Å; F185-L190 HydrophobicContact CG-CG 4.41Å; F185-L190 HydrophobicContact CZ-CD1 4.41Å; F185-K191 WeakPolarHBondContact O-CE 2.72Å; F185-K191 WeakPolarHBondContact O-CG 3.27Å; F185-E194 PolarHBondContact N-OE2 3.3Å; F185-W201 AromaticContact CE2-CE3 3.95Å; F185-W201 HydrophobicContact CE2-CE3 3.95Å; F185-W201 AromaticContact CE2-CZ3 3.59Å; F185-W201 HydrophobicContact CE2-CZ3 3.59Å; F185-W201 HydrophobicContact CZ-CE3 4.47Å; F185-W201 AromaticContact CZ-CZ3 3.97Å; F185-W201 HydrophobicContact CZ-CZ3 3.97Å | ||
| 186 | N | 90.9 | Very high | 95.5 | Very high | 108 Ų | 108 | 46.4 Ų | 46.4 | 58% | 0.578 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -89 | -20.3 | 170 | -66.3 | -28.2 | 0 | 0 | 0 | 113.3 | ||
| 187 | N | 91.8 | Very high | 95.2 | Very high | 90 Ų | 90 | 49 Ų | 49 | 48% | 0.481 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -79.7 | 125.8 | -178.9 | 177.8 | -81 | 0 | 0 | 0 | 111 | L189 L190 K191 | N187-L189 VanDerWaalsContact C-N 3.31Å; N187-L189 PolarHBondContact O-N 2.88Å; N187-L189 WeakPolarHBondContact OD1-CB 3.11Å; N187-L189 PolarHBondContact OD1-N 3.18Å; N187-L190 HydrophobicContact CB-CB 4.24Å; N187-L190 HydrophobicContact CB-CD1 4.13Å; N187-L190 HydrophobicContact CB-CG 4.13Å; N187-L190 PolarHBondContact O-N 3.42Å; N187-L190 PolarHBondContact OD1-N 3.39Å; N187-K191 WeakPolarHBondContact O-CG 3.42Å; N187-K191 PolarHBondContact O-N 3.27Å |
| 188 | N | 90.1 | Very high | 95 | Very high | 85 Ų | 85 | 49.8 Ų | 49.8 | 46% | 0.455 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.3 | -35.4 | -175.4 | -68.8 | -16.2 | 0 | 0 | 0 | 114.9 | T192 | N188-T192 PolarHBondContact O-N 2.6Å; N188-T192 PolarHBondContact O-OG1 2.79Å |
| 189 | L | 92 | Very high | 94.9 | Very high | 116 Ų | 116 | 52.1 Ų | 52.1 | 61% | 0.607 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -67.7 | -44.1 | 176 | 174.4 | 63.4 | 0 | 0 | 0 | 110.5 | N187 T192 L193 | N187-L189 VanDerWaalsContact C-N 3.31Å; N187-L189 PolarHBondContact O-N 2.88Å; N187-L189 WeakPolarHBondContact OD1-CB 3.11Å; N187-L189 PolarHBondContact OD1-N 3.18Å; L189-T192 WeakPolarHBondContact O-CB 3.38Å; L189-T192 PolarHBondContact O-N 3.44Å; L189-L193 HydrophobicContact CG-CD1 4.42Å; L189-L193 WeakPolarHBondContact O-CG 3.4Å; L189-L193 PolarHBondContact O-N 2.89Å |
| 190 | L | 95.4 | Very high | 94.8 | Very high | 65 Ų | 65 | 54.4 Ų | 54.4 | 34% | 0.34 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.5 | -37.3 | 177.6 | -61.4 | -177.1 | 0 | 0 | 0 | 112 | F185 N187 T192 L193 E194 | F185-L190 HydrophobicContact CB-CB 3.67Å; F185-L190 HydrophobicContact CB-CD1 4.45Å; F185-L190 HydrophobicContact CD1-CB 4.14Å; F185-L190 HydrophobicContact CD1-CD1 3.65Å; F185-L190 HydrophobicContact CD2-CB 3.61Å; F185-L190 HydrophobicContact CD2-CD1 4.49Å; F185-L190 HydrophobicContact CE1-CD1 3.91Å; F185-L190 HydrophobicContact CE2-CB 4.18Å; F185-L190 HydrophobicContact CG-CB 3.55Å; F185-L190 HydrophobicContact CG-CD1 3.97Å; F185-L190 HydrophobicContact CG-CG 4.41Å; F185-L190 HydrophobicContact CZ-CD1 4.41Å; N187-L190 HydrophobicContact CB-CB 4.24Å; N187-L190 HydrophobicContact CB-CD1 4.13Å; N187-L190 HydrophobicContact CB-CG 4.13Å; N187-L190 PolarHBondContact O-N 3.42Å; N187-L190 PolarHBondContact OD1-N 3.39Å; L190-T192 VanDerWaalsContact C-N 3.34Å; L190-T192 PolarHBondContact O-N 3.31Å; L190-L193 HydrophobicContact CD2-CD1 4.32Å; L190-L193 PolarHBondContact O-N 2.93Å; L190-E194 WeakPolarHBondContact O-CB 3.19Å; L190-E194 PolarHBondContact O-N 3.04Å |
| 191 | K | 94.4 | Very high | 94.8 | Very high | 36 Ų | 36 | 59.9 Ų | 59.9 | 16% | 0.157 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56 | -48 | 170.4 | -73.6 | -168 | 169.9 | -164.8 | 0 | 111.6 | S165 H183 F185 N187 L193 E194 I195 | S165-K191 PolarHBondContact OG-NZ 2.75Å; H183-K191 HydrophobicContact CB-CD 4.07Å; H183-K191 HydrophobicContact CB-CG 3.87Å; H183-K191 WeakPolarHBondContact CD2-CB 3.4Å; H183-K191 VanDerWaalsContact CD2-CG 3.47Å; H183-K191 WeakPolarHBondContact CD2-CG 3.33Å; F185-K191 WeakPolarHBondContact O-CE 2.72Å; F185-K191 WeakPolarHBondContact O-CG 3.27Å; N187-K191 WeakPolarHBondContact O-CG 3.42Å; N187-K191 PolarHBondContact O-N 3.27Å; K191-L193 VanDerWaalsContact C-N 3.34Å; K191-L193 PolarHBondContact O-N 3.39Å; K191-E194 VanDerWaalsContact O-CB 3.3Å; K191-E194 WeakPolarHBondContact O-CB 3.27Å; K191-E194 PolarHBondContact O-N 3.27Å; K191-I195 PolarHBondContact O-N 2.84Å |
| 192 | T | 92.8 | Very high | 94.8 | Very high | 81 Ų | 81 | 60 Ų | 60 | 50% | 0.497 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.4 | -44 | 177 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | N188 L189 L190 E194 I195 V196 | N188-T192 PolarHBondContact O-N 2.6Å; N188-T192 PolarHBondContact O-OG1 2.79Å; L189-T192 WeakPolarHBondContact O-CB 3.38Å; L189-T192 PolarHBondContact O-N 3.44Å; L190-T192 VanDerWaalsContact C-N 3.34Å; L190-T192 PolarHBondContact O-N 3.31Å; T192-E194 VanDerWaalsContact C-N 3.34Å; T192-I195 PolarHBondContact O-N 2.79Å; T192-V196 HydrophobicContact CG2-CG2 4.36Å; T192-V196 WeakPolarHBondContact O-CB 3.31Å; T192-V196 VanDerWaalsContact O-CG2 3.29Å; T192-V196 WeakPolarHBondContact O-CG2 3.28Å; T192-V196 PolarHBondContact O-N 2.77Å |
| 193 | L | 94.1 | Very high | 94.8 | Very high | 75 Ų | 75 | 60.6 Ų | 60.6 | 39% | 0.393 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.6 | -35 | 177.2 | -69.8 | 174.6 | 0 | 0 | 0 | 112.4 | L189 L190 K191 I195 V196 L197 | L189-L193 HydrophobicContact CG-CD1 4.42Å; L189-L193 WeakPolarHBondContact O-CG 3.4Å; L189-L193 PolarHBondContact O-N 2.89Å; L190-L193 HydrophobicContact CD2-CD1 4.32Å; L190-L193 PolarHBondContact O-N 2.93Å; K191-L193 VanDerWaalsContact C-N 3.34Å; K191-L193 PolarHBondContact O-N 3.39Å; L193-I195 VanDerWaalsContact C-N 3.34Å; L193-I195 PolarHBondContact O-N 2.97Å; L193-V196 PolarHBondContact O-N 3.01Å; L193-L197 HydrophobicContact CB-CD1 4.42Å; L193-L197 WeakPolarHBondContact O-CB 3.19Å; L193-L197 VanDerWaalsContact O-CG 3.26Å; L193-L197 WeakPolarHBondContact O-CG 3.48Å; L193-L197 PolarHBondContact O-N 2.86Å |
| 194 | E | 95.4 | Very high | 94.8 | Very high | 6 Ų | 6 | 60.4 Ų | 60.4 | 3% | 0.028 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.4 | -47.3 | 175.5 | -164.4 | 178.8 | 158.3 | 0 | 0 | 111 | H183 Y184 F185 L190 K191 T192 L198 M199 W201 T202 | H183-E194 IonicContact CD2-OE2 3.99Å; Y184-E194 PolarHBondContact N-OE1 3.5Å; Y184-E194 PolarHBondContact N-OE2 2.81Å; F185-E194 PolarHBondContact N-OE2 3.3Å; L190-E194 WeakPolarHBondContact O-CB 3.19Å; L190-E194 PolarHBondContact O-N 3.04Å; K191-E194 VanDerWaalsContact O-CB 3.3Å; K191-E194 WeakPolarHBondContact O-CB 3.27Å; K191-E194 PolarHBondContact O-N 3.27Å; T192-E194 VanDerWaalsContact C-N 3.34Å; E194-L198 PolarHBondContact O-N 3.41Å; E194-M199 HydrophobicContact CG-CB 3.82Å; E194-M199 PolarHBondContact O-N 3.46Å; E194-W201 HydrophobicContact CG-CE3 4.3Å; E194-T202 VanDerWaalsContact OE1-CG2 3.3Å; E194-T202 WeakPolarHBondContact OE1-CG2 3.28Å |
| 195 | I | 93.9 | Very high | 94.9 | Very high | 21 Ų | 21 | 54.1 Ų | 54.1 | 11% | 0.108 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.3 | -53.9 | 176 | -68.1 | 169.7 | 0 | 0 | 0 | 111 | H29 H183 K191 T192 L193 L197 L198 F221 L240 | H29-I195 PolarHBondContact CE1-O 3.47Å; H29-I195 PolarHBondContact NE2-O 2.64Å; H183-I195 VanDerWaalsContact NE2-CD1 3.32Å; H183-I195 WeakPolarHBondContact NE2-CD1 3.48Å; K191-I195 PolarHBondContact O-N 2.84Å; T192-I195 PolarHBondContact O-N 2.79Å; L193-I195 VanDerWaalsContact C-N 3.34Å; L193-I195 PolarHBondContact O-N 2.97Å; I195-L197 VanDerWaalsContact C-N 3.31Å; I195-L197 PolarHBondContact O-N 2.86Å; I195-L198 PolarHBondContact O-N 2.87Å; I195-L198 VanDerWaalsContact O-N 3.15Å; I195-F221 HydrophobicContact CD1-CD1 3.91Å; I195-F221 HydrophobicContact CD1-CE1 3.36Å; I195-F221 HydrophobicContact CD1-CZ 3.85Å; I195-F221 HydrophobicContact CG1-CD1 3.76Å; I195-F221 HydrophobicContact CG1-CE1 3.78Å; I195-F221 HydrophobicContact CG1-CG 4.48Å; I195-L240 HydrophobicContact CG2-CD1 4.16Å |
| 196 | V | 92.4 | Very high | 95.1 | Very high | 70 Ų | 70 | 51.7 Ų | 51.7 | 42% | 0.424 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.2 | -35.2 | -173.7 | 169.8 | 0 | 0 | 0 | 0 | 112.3 | I25 T192 L193 L198 | I25-V196 WeakPolarHBondContact CG2-O 3.27Å; T192-V196 HydrophobicContact CG2-CG2 4.36Å; T192-V196 WeakPolarHBondContact O-CB 3.31Å; T192-V196 VanDerWaalsContact O-CG2 3.29Å; T192-V196 WeakPolarHBondContact O-CG2 3.28Å; T192-V196 PolarHBondContact O-N 2.77Å; L193-V196 PolarHBondContact O-N 3.01Å; V196-L198 VanDerWaalsContact C-N 3.32Å |
| 197 | L | 92.8 | Very high | 95.5 | Very high | 78 Ų | 78 | 47.6 Ų | 47.6 | 41% | 0.408 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -1.9 | -179.4 | -61.1 | 177.2 | 0 | 0 | 0 | 113.3 | R21 L193 I195 M199 | R21-L197 PolarHBondContact NH2-O 2.84Å; L193-L197 HydrophobicContact CB-CD1 4.42Å; L193-L197 WeakPolarHBondContact O-CB 3.19Å; L193-L197 VanDerWaalsContact O-CG 3.26Å; L193-L197 WeakPolarHBondContact O-CG 3.48Å; L193-L197 PolarHBondContact O-N 2.86Å; I195-L197 VanDerWaalsContact C-N 3.31Å; I195-L197 PolarHBondContact O-N 2.86Å; L197-M199 HydrophobicContact CB-CG 4.1Å; L197-M199 HydrophobicContact CB-SD 4.01Å |
| 198 | L | 94.6 | Very high | 95.8 | Very high | 17 Ų | 17 | 44.2 Ų | 44.2 | 9% | 0.089 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 54 | -177.7 | -54.1 | 172.2 | 0 | 0 | 0 | 112 | I25 R28 E194 I195 V196 H220 L240 | I25-L198 HydrophobicContact CB-CD1 4.45Å; I25-L198 HydrophobicContact CG1-CD1 3.96Å; I25-L198 HydrophobicContact CG1-CG 4.4Å; R28-L198 HydrophobicContact CB-CD1 3.54Å; R28-L198 HydrophobicContact CB-CD2 3.98Å; R28-L198 HydrophobicContact CB-CG 4.43Å; R28-L198 HydrophobicContact CG-CD1 3.74Å; E194-L198 PolarHBondContact O-N 3.41Å; I195-L198 PolarHBondContact O-N 2.87Å; I195-L198 VanDerWaalsContact O-N 3.15Å; V196-L198 VanDerWaalsContact C-N 3.32Å; L198-H220 PolarHBondContact O-CD2 3.43Å; L198-H220 VanDerWaalsContact O-CD2 3.25Å; L198-L240 HydrophobicContact CD2-CB 4.2Å; L198-L240 HydrophobicContact CD2-CD1 4.01Å; L198-L240 HydrophobicContact CD2-CD2 4.43Å; L198-L240 HydrophobicContact CD2-CG 4.45Å |
| 199 | M | 96.7 | Very high | 96.2 | Very high | 49 Ų | 49 | 43.9 Ų | 43.9 | 24% | 0.241 | 23% | 0.233 | C | C | . | . | trans | -83.2 | 127.2 | 179.6 | -58.2 | -49.1 | -65.6 | 0 | 0 | 110.8 | E194 L197 W201 | E194-M199 HydrophobicContact CG-CB 3.82Å; E194-M199 PolarHBondContact O-N 3.46Å; L197-M199 HydrophobicContact CB-CG 4.1Å; L197-M199 HydrophobicContact CB-SD 4.01Å; M199-W201 VanDerWaalsContact C-N 3.28Å; M199-W201 HydrophobicContact CB-CD2 3.81Å; M199-W201 HydrophobicContact CB-CE3 3.69Å; M199-W201 HydrophobicContact CB-CG 4.3Å; M199-W201 HydrophobicContact CB-CZ3 4.05Å; M199-W201 HydrophobicContact CE-CD2 4.24Å; M199-W201 HydrophobicContact CE-CE3 4.44Å; M199-W201 HydrophobicContact CE-CH2 3.39Å; M199-W201 HydrophobicContact CE-CZ2 3.11Å; M199-W201 HydrophobicContact CE-CZ3 4.02Å; M199-W201 HydrophobicContact CG-CD2 4.49Å; M199-W201 HydrophobicContact CG-CE3 4.1Å; M199-W201 HydrophobicContact CG-CH2 4.23Å; M199-W201 HydrophobicContact CG-CZ3 3.91Å; M199-W201 PolarHBondContact O-N 2.83Å; M199-W201 VanDerWaalsContact O-N 3.13Å | ||
| 200 | P | 97.2 | Very high | 96.4 | Very high | 48 Ų | 48 | 48.1 Ų | 48.1 | 31% | 0.312 | 25% | 0.247 | S | C | . | . | trans | -88 | 52 | -177.6 | 34.7 | -35.8 | 0 | 0 | 0 | 112.6 | G218 Y219 | P200-G218 CarbonylContact O-C 3.09Å; P200-G218 VanDerWaalsContact O-CA 3.26Å; P200-G218 WeakPolarHBondContact O-CA 3.46Å; P200-Y219 CarbonylContact C-O 3.56Å; P200-Y219 WeakPolarHBondContact CA-O 3.15Å | ||
| 201 | W | 98.3 | Very high | 96.5 | Very high | 115 Ų | 115 | 49.1 Ų | 49.1 | 44% | 0.436 | 25% | 0.25 | S | C | . | . | trans | -102.3 | -2.8 | -170.4 | -64.6 | -26.2 | 0 | 0 | 0 | 114.9 | Y184 F185 E194 M199 Y219 | Y184-W201 HydrophobicContact CD2-CB 4.49Å; Y184-W201 HydrophobicContact CG-CB 4.17Å; F185-W201 AromaticContact CE2-CE3 3.95Å; F185-W201 HydrophobicContact CE2-CE3 3.95Å; F185-W201 AromaticContact CE2-CZ3 3.59Å; F185-W201 HydrophobicContact CE2-CZ3 3.59Å; F185-W201 HydrophobicContact CZ-CE3 4.47Å; F185-W201 AromaticContact CZ-CZ3 3.97Å; F185-W201 HydrophobicContact CZ-CZ3 3.97Å; E194-W201 HydrophobicContact CG-CE3 4.3Å; M199-W201 VanDerWaalsContact C-N 3.28Å; M199-W201 HydrophobicContact CB-CD2 3.81Å; M199-W201 HydrophobicContact CB-CE3 3.69Å; M199-W201 HydrophobicContact CB-CG 4.3Å; M199-W201 HydrophobicContact CB-CZ3 4.05Å; M199-W201 HydrophobicContact CE-CD2 4.24Å; M199-W201 HydrophobicContact CE-CE3 4.44Å; M199-W201 HydrophobicContact CE-CH2 3.39Å; M199-W201 HydrophobicContact CE-CZ2 3.11Å; M199-W201 HydrophobicContact CE-CZ3 4.02Å; M199-W201 HydrophobicContact CG-CD2 4.49Å; M199-W201 HydrophobicContact CG-CE3 4.1Å; M199-W201 HydrophobicContact CG-CH2 4.23Å; M199-W201 HydrophobicContact CG-CZ3 3.91Å; M199-W201 PolarHBondContact O-N 2.83Å; M199-W201 VanDerWaalsContact O-N 3.13Å; W201-Y219 PolarHBondContact N-O 3.35Å | ||
| 202 | T | 98.7 | Very high | 96.7 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 156.1 | -178.5 | 65.9 | 0 | 0 | 0 | 0 | 110.8 | N181 D182 E194 G218 Y219 F221 A222 | N181-T202 VanDerWaalsContact O-CB 3.22Å; N181-T202 WeakPolarHBondContact O-CB 3.14Å; D182-T202 VanDerWaalsContact C-CG2 3.4Å; D182-T202 WeakPolarHBondContact O-CG2 3.3Å; E194-T202 VanDerWaalsContact OE1-CG2 3.3Å; E194-T202 WeakPolarHBondContact OE1-CG2 3.28Å; T202-G218 PolarHBondContact O-N 2.73Å; T202-Y219 PolarHBondContact N-O 3.41Å; T202-Y219 PolarHBondContact O-N 3.12Å; T202-Y219 WeakPolarHBondContact OG1-CB 3.12Å; T202-Y219 PolarHBondContact OG1-O 3.22Å; T202-F221 PolarHBondContact OG1-N 2.94Å; T202-F221 VanDerWaalsContact OG1-N 3.15Å; T202-A222 PolarHBondContact OG1-N 3.3Å |
| 203 | N | 98.9 | Very high | 97 | Very high | 18 Ų | 18 | 47 Ų | 47 | 10% | 0.096 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 173.1 | -165.9 | 68.2 | 38.4 | 0 | 0 | 0 | 113.6 | T180 N181 V214 S216 D217 | T180-N203 WeakPolarHBondContact CA-O 3.35Å; N181-N203 PolarHBondContact N-O 2.85Å; N181-N203 PolarHBondContact ND2-OD1 3.23Å; N181-N203 PolarHBondContact O-N 2.93Å; N203-V214 HydrophobicContact CB-CG1 4.13Å; N203-S216 CarbonylContact C-O 3.59Å; N203-S216 WeakPolarHBondContact CA-O 3.39Å; N203-S216 WeakPolarHBondContact CB-O 3.13Å; N203-D217 HydrophobicContact CB-CB 3.92Å |
| 204 | V | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 131.6 | 173.3 | -175.8 | 0 | 0 | 0 | 0 | 109 | Y178 A179 T180 V215 S216 Y219 I225 V236 L255 | Y178-V204 HydrophobicContact CD1-CG1 4.39Å; A179-V204 CarbonylContact O-C 3.58Å; A179-V204 VanDerWaalsContact O-CA 3.24Å; A179-V204 WeakPolarHBondContact O-CA 3.18Å; T180-V204 HydrophobicContact CG2-CG2 4.16Å; V204-V215 HydrophobicContact CB-CG2 4.15Å; V204-V215 HydrophobicContact CG1-CG2 3.8Å; V204-V215 WeakPolarHBondContact O-CG2 3.47Å; V204-V215 PolarHBondContact O-N 3.18Å; V204-S216 PolarHBondContact N-O 3.49Å; V204-S216 PolarHBondContact O-N 2.94Å; V204-Y219 HydrophobicContact CG2-CE2 3.95Å; V204-I225 HydrophobicContact CG1-CD1 3.74Å; V204-V236 HydrophobicContact CG2-CG1 4.15Å; V204-V236 HydrophobicContact CG2-CG2 3.89Å; V204-L255 HydrophobicContact CG1-CD1 4.14Å |
| 205 | V | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 132.2 | 178.9 | 175.4 | 0 | 0 | 0 | 0 | 109.6 | L162 L163 Y178 A179 V212 K213 V214 | L162-V205 HydrophobicContact CB-CG1 4.03Å; L162-V205 HydrophobicContact CB-CG2 4.13Å; L162-V205 WeakPolarHBondContact O-CG2 3.22Å; L163-V205 HydrophobicContact CD2-CB 3.91Å; L163-V205 HydrophobicContact CD2-CG1 3.77Å; L163-V205 HydrophobicContact CG-CG1 4.39Å; Y178-V205 CarbonylContact C-O 3.59Å; Y178-V205 WeakPolarHBondContact CA-O 3.2Å; A179-V205 PolarHBondContact N-O 2.81Å; A179-V205 PolarHBondContact O-N 2.87Å; V205-V212 HydrophobicContact CG1-CG1 3.73Å; V205-K213 CarbonylContact C-O 3.52Å; V205-K213 WeakPolarHBondContact CA-O 3.31Å; V205-V214 HydrophobicContact CG2-CG2 4.14Å |
| 206 | F | 98.9 | Very high | 97.6 | Very high | 5 Ų | 5 | 46.5 Ų | 46.5 | 2% | 0.022 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 133.1 | 164.2 | 174.7 | -105.2 | 0 | 0 | 0 | 109.2 | V172 Y178 V212 K213 V215 N253 | V172-F206 HydrophobicContact CG2-CE2 4.12Å; Y178-F206 HydrophobicContact CD1-CB 3.92Å; Y178-F206 AromaticContact CD1-CD2 3.98Å; Y178-F206 HydrophobicContact CD1-CD2 3.98Å; Y178-F206 HydrophobicContact CD1-CG 4.45Å; Y178-F206 HydrophobicContact CD2-CD2 4.39Å; Y178-F206 HydrophobicContact CE1-CB 3.79Å; Y178-F206 AromaticContact CE1-CD2 3.63Å; Y178-F206 HydrophobicContact CE1-CD2 3.63Å; Y178-F206 HydrophobicContact CE1-CG 4.08Å; Y178-F206 HydrophobicContact CE2-CD2 4.06Å; Y178-F206 HydrophobicContact CE2-CE2 4.45Å; Y178-F206 HydrophobicContact CG-CD2 4.36Å; Y178-F206 AromaticContact CZ-CD2 3.67Å; F206-V212 WeakPolarHBondContact O-CA 3.08Å; F206-K213 HydrophobicContact CB-CG 4.45Å; F206-K213 PolarHBondContact N-O 3.46Å; F206-K213 PolarHBondContact O-N 3.15Å; F206-V215 HydrophobicContact CB-CG1 3.56Å; F206-V215 HydrophobicContact CB-CG2 4.29Å; F206-N253 HydrophobicContact CD1-CB 3.88Å; F206-N253 HydrophobicContact CD2-CB 3.85Å; F206-N253 HydrophobicContact CE1-CB 3.81Å; F206-N253 HydrophobicContact CE2-CB 3.77Å; F206-N253 HydrophobicContact CG-CB 3.89Å; F206-N253 HydrophobicContact CZ-CB 3.76Å; F206-N253 VanDerWaalsContact CZ-CG 3.49Å; F206-N253 WeakPolarHBondContact CZ-ND2 3.46Å |
| 207 | Y | 98.9 | Very high | 97.9 | Very high | 23 Ų | 23 | 48.8 Ų | 48.8 | 9% | 0.09 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 138 | 173.9 | 179.2 | -85.2 | 0 | 0 | 0 | 111 | I158 L163 E175 S176 F177 V212 | I158-Y207 HydrophobicContact CD1-CD1 4.26Å; I158-Y207 HydrophobicContact CD1-CE1 3.6Å; I158-Y207 HydrophobicContact CG1-CE1 4.21Å; I158-Y207 HydrophobicContact CG2-CD1 4.37Å; I158-Y207 HydrophobicContact CG2-CD2 3.98Å; I158-Y207 HydrophobicContact CG2-CE1 3.94Å; I158-Y207 HydrophobicContact CG2-CE2 3.47Å; I158-Y207 VanDerWaalsContact CG2-CE2 3.47Å; I158-Y207 HydrophobicContact CG2-CG 4.41Å; I158-Y207 VanDerWaalsContact CG2-CZ 3.45Å; L163-Y207 HydrophobicContact CD1-CD2 3.87Å; L163-Y207 HydrophobicContact CD1-CG 4.33Å; E175-Y207 WeakPolarHBondContact O-CD1 3.44Å; E175-Y207 WeakPolarHBondContact O-CE1 3.15Å; S176-Y207 WeakPolarHBondContact CA-O 3.28Å; S176-Y207 WeakPolarHBondContact CB-O 3.44Å; F177-Y207 HydrophobicContact CD1-CD1 4.01Å; F177-Y207 AromaticContact CE1-CD1 3.35Å; F177-Y207 HydrophobicContact CE1-CD1 3.35Å; F177-Y207 HydrophobicContact CE1-CE1 4.11Å; F177-Y207 AromaticContact CE1-CG 3.8Å; F177-Y207 HydrophobicContact CE1-CG 3.8Å; F177-Y207 HydrophobicContact CE2-CG 4.25Å; F177-Y207 AromaticContact CZ-CD1 3.7Å; F177-Y207 HydrophobicContact CZ-CD1 3.7Å; F177-Y207 HydrophobicContact CZ-CD2 4.41Å; F177-Y207 AromaticContact CZ-CG 3.63Å; F177-Y207 HydrophobicContact CZ-CG 3.63Å; F177-Y207 PolarHBondContact N-O 2.81Å; F177-Y207 VanDerWaalsContact N-O 3.09Å; F177-Y207 PolarHBondContact O-N 2.97Å; Y207-V212 HydrophobicContact CD2-CB 4.35Å; Y207-V212 HydrophobicContact CD2-CG1 3.97Å; Y207-V212 HydrophobicContact CD2-CG2 3.43Å; Y207-V212 VanDerWaalsContact CD2-CG2 3.43Å; Y207-V212 HydrophobicContact CE2-CG2 3.7Å; Y207-V212 HydrophobicContact CG-CG2 4.32Å |
| 208 | S | 98.6 | Very high | 98.2 | Very high | 18 Ų | 18 | 46.9 Ų | 46.9 | 13% | 0.126 | 25% | 0.247 | C | C | . | . | trans | -149 | 166.8 | 159.8 | 72.2 | 0 | 0 | 0 | 0 | 109.2 | K210 E211 | S208-K210 PolarHBondContact O-N 3.36Å; S208-K210 PolarHBondContact OG-N 3.05Å; S208-E211 PolarHBondContact N-O 3.07Å; S208-E211 PolarHBondContact O-N 3.39Å; S208-E211 VanDerWaalsContact O-O 3.11Å; S208-E211 PolarHBondContact OG-N 2.87Å; S208-E211 PolarHBondContact OG-O 3.22Å | ||
| 209 | P | 97.9 | Very high | 98.4 | Very high | 79 Ų | 79 | 46.2 Ų | 46.2 | 51% | 0.513 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -61.2 | -18.1 | 175.4 | -25.8 | 36.9 | 0 | 0 | 0 | 114.4 | E175 | E175-P209 HydrophobicContact CB-CG 3.87Å; E175-P209 WeakPolarHBondContact O-CD 3.15Å; E175-P209 WeakPolarHBondContact OE2-CG 3.21Å |
| 210 | K | 97.7 | Very high | 98.4 | Very high | 205 Ų | 205 | 45.5 Ų | 45.5 | 89% | 0.891 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -101.1 | -27.1 | -176 | -65.5 | -179.7 | -179.4 | 175.7 | 0 | 113.6 | S208 | S208-K210 PolarHBondContact O-N 3.36Å; S208-K210 PolarHBondContact OG-N 3.05Å |
| 211 | E | 97.4 | Very high | 98.5 | Very high | 86 Ų | 86 | 43.8 Ų | 43.8 | 40% | 0.402 | 23% | 0.227 | S | C | . | . | trans | -153.7 | 135.1 | -172.5 | -174.2 | -175.1 | -142.9 | 0 | 0 | 109.6 | S208 K213 | S208-E211 PolarHBondContact N-O 3.07Å; S208-E211 PolarHBondContact O-N 3.39Å; S208-E211 VanDerWaalsContact O-O 3.11Å; S208-E211 PolarHBondContact OG-N 2.87Å; S208-E211 PolarHBondContact OG-O 3.22Å; E211-K213 HydrophobicContact CG-CD 4.34Å; E211-K213 HydrophobicContact CG-CG 4.49Å; E211-K213 WeakPolarHBondContact OE1-CD 2.99Å; E211-K213 IonicContact OE1-NZ 2.73Å; E211-K213 PolarHBondContact OE1-NZ 2.63Å; E211-K213 WeakPolarHBondContact OE2-CE 3.47Å; E211-K213 IonicContact OE2-NZ 2.79Å; E211-K213 PolarHBondContact OE2-NZ 3.22Å | ||
| 212 | V | 98.7 | Very high | 98.5 | Very high | 35 Ų | 35 | 38.3 Ų | 38.3 | 21% | 0.212 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 127.2 | 170.3 | -166.5 | 0 | 0 | 0 | 0 | 108.1 | L162 V205 F206 Y207 | L162-V212 HydrophobicContact CB-CG1 4.37Å; L162-V212 HydrophobicContact CD1-CG1 4.18Å; V205-V212 HydrophobicContact CG1-CG1 3.73Å; F206-V212 WeakPolarHBondContact O-CA 3.08Å; Y207-V212 HydrophobicContact CD2-CB 4.35Å; Y207-V212 HydrophobicContact CD2-CG1 3.97Å; Y207-V212 HydrophobicContact CD2-CG2 3.43Å; Y207-V212 VanDerWaalsContact CD2-CG2 3.43Å; Y207-V212 HydrophobicContact CE2-CG2 3.7Å; Y207-V212 HydrophobicContact CG-CG2 4.32Å |
| 213 | K | 98.6 | Very high | 98.5 | Very high | 38 Ų | 38 | 38.4 Ų | 38.4 | 17% | 0.165 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 148.8 | -176.8 | 61 | -178 | 174.4 | -153.2 | 0 | 112.6 | V205 F206 E211 V215 D252 | V205-K213 CarbonylContact C-O 3.52Å; V205-K213 WeakPolarHBondContact CA-O 3.31Å; F206-K213 HydrophobicContact CB-CG 4.45Å; F206-K213 PolarHBondContact N-O 3.46Å; F206-K213 PolarHBondContact O-N 3.15Å; E211-K213 HydrophobicContact CG-CD 4.34Å; E211-K213 HydrophobicContact CG-CG 4.49Å; E211-K213 WeakPolarHBondContact OE1-CD 2.99Å; E211-K213 IonicContact OE1-NZ 2.73Å; E211-K213 PolarHBondContact OE1-NZ 2.63Å; E211-K213 WeakPolarHBondContact OE2-CE 3.47Å; E211-K213 IonicContact OE2-NZ 2.79Å; E211-K213 PolarHBondContact OE2-NZ 3.22Å; K213-V215 HydrophobicContact CD-CG1 4.26Å; K213-V215 HydrophobicContact CG-CG1 3.78Å; K213-V215 PolarHBondContact O-N 2.97Å; K213-D252 PolarHBondContact NZ-O 2.96Å |
| 214 | V | 98.8 | Very high | 98.5 | Very high | 60 Ų | 60 | 37.6 Ų | 37.6 | 36% | 0.364 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 128.3 | 165 | -179.4 | 0 | 0 | 0 | 0 | 107.9 | L162 N203 V205 D217 | L162-V214 HydrophobicContact CD2-CG2 4.36Å; N203-V214 HydrophobicContact CB-CG1 4.13Å; V205-V214 HydrophobicContact CG2-CG2 4.14Å; V214-D217 HydrophobicContact CG1-CB 4.44Å |
| 215 | V | 98.8 | Very high | 98.5 | Very high | 16 Ų | 16 | 37.6 Ų | 37.6 | 10% | 0.097 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | -12.3 | -176.7 | -66.7 | 0 | 0 | 0 | 0 | 113.4 | Y178 V204 F206 K213 L255 | Y178-V215 HydrophobicContact CD1-CG2 3.87Å; Y178-V215 HydrophobicContact CE1-CG2 4Å; V204-V215 HydrophobicContact CB-CG2 4.15Å; V204-V215 HydrophobicContact CG1-CG2 3.8Å; V204-V215 WeakPolarHBondContact O-CG2 3.47Å; V204-V215 PolarHBondContact O-N 3.18Å; F206-V215 HydrophobicContact CB-CG1 3.56Å; F206-V215 HydrophobicContact CB-CG2 4.29Å; K213-V215 HydrophobicContact CD-CG1 4.26Å; K213-V215 HydrophobicContact CG-CG1 3.78Å; K213-V215 PolarHBondContact O-N 2.97Å; V215-L255 HydrophobicContact CB-CB 4.48Å; V215-L255 HydrophobicContact CB-CD1 4.36Å; V215-L255 HydrophobicContact CB-CG 4.06Å; V215-L255 HydrophobicContact CG2-CD1 3.64Å; V215-L255 HydrophobicContact CG2-CG 3.86Å |
| 216 | S | 98.7 | Very high | 98.5 | Very high | 14 Ų | 14 | 39 Ų | 39 | 10% | 0.098 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 146 | 172.9 | -163.8 | 0 | 0 | 0 | 0 | 109.3 | N203 V204 Y219 | N203-S216 CarbonylContact C-O 3.59Å; N203-S216 WeakPolarHBondContact CA-O 3.39Å; N203-S216 WeakPolarHBondContact CB-O 3.13Å; V204-S216 PolarHBondContact N-O 3.49Å; V204-S216 PolarHBondContact O-N 2.94Å; S216-Y219 WeakPolarHBondContact OG-CE2 3.45Å; S216-Y219 PolarHBondContact OG-OH 2.87Å |
| 217 | D | 98.5 | Very high | 98.5 | Very high | 118 Ų | 118 | 40 Ų | 40 | 63% | 0.631 | 22% | 0.215 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -146.1 | -177.8 | 179 | 60.2 | 50.6 | 0 | 0 | 0 | 111.4 | N203 V214 | N203-D217 HydrophobicContact CB-CB 3.92Å; V214-D217 HydrophobicContact CG1-CB 4.44Å |
| 218 | G | 98.3 | Very high | 98.5 | Very high | 38 Ų | 38 | 39.1 Ų | 39.1 | 39% | 0.392 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 88.9 | 21.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | P200 T202 | P200-G218 CarbonylContact O-C 3.09Å; P200-G218 VanDerWaalsContact O-CA 3.26Å; P200-G218 WeakPolarHBondContact O-CA 3.46Å; T202-G218 PolarHBondContact O-N 2.73Å |
| 219 | Y | 98.6 | Very high | 98.4 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 145.5 | -178.1 | -63 | -95 | 0 | 0 | 0 | 111.1 | P200 W201 T202 V204 S216 F221 A222 V236 N238 N245 L247 | P200-Y219 CarbonylContact C-O 3.56Å; P200-Y219 WeakPolarHBondContact CA-O 3.15Å; W201-Y219 PolarHBondContact N-O 3.35Å; T202-Y219 PolarHBondContact N-O 3.41Å; T202-Y219 PolarHBondContact O-N 3.12Å; T202-Y219 WeakPolarHBondContact OG1-CB 3.12Å; T202-Y219 PolarHBondContact OG1-O 3.22Å; V204-Y219 HydrophobicContact CG2-CE2 3.95Å; S216-Y219 WeakPolarHBondContact OG-CE2 3.45Å; S216-Y219 PolarHBondContact OG-OH 2.87Å; Y219-F221 PolarHBondContact O-N 2.77Å; Y219-A222 HydrophobicContact CD1-CB 4.43Å; Y219-A222 HydrophobicContact CD2-CB 4.45Å; Y219-A222 HydrophobicContact CG-CB 3.98Å; Y219-V236 HydrophobicContact CD1-CG1 3.93Å; Y219-V236 HydrophobicContact CE1-CB 3.87Å; Y219-V236 HydrophobicContact CE1-CG1 3.57Å; Y219-N238 HydrophobicContact CD1-CB 4.01Å; Y219-N245 HydrophobicContact CE1-CB 4Å; Y219-N245 WeakPolarHBondContact CE1-ND2 3.41Å; Y219-L247 WeakPolarHBondContact OH-CD1 3.32Å |
| 220 | H | 97.9 | Very high | 98.4 | Very high | 35 Ų | 35 | 41.5 Ų | 41.5 | 16% | 0.162 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -94.4 | 90.8 | 168.5 | -55.9 | 82 | 0 | 0 | 0 | 107.8 | R28 L198 N238 L240 | R28-H220 PolarHBondContact NH2-CE1 2.91Å; R28-H220 PolarHBondContact NH2-ND1 3.21Å; L198-H220 PolarHBondContact O-CD2 3.43Å; L198-H220 VanDerWaalsContact O-CD2 3.25Å; H220-N238 WeakPolarHBondContact CA-OD1 2.87Å; H220-N238 PolarHBondContact N-OD1 3.05Å; H220-N238 PolarHBondContact O-OD1 3.17Å; H220-L240 HydrophobicContact CB-CB 3.73Å; H220-L240 PolarHBondContact O-N 2.75Å |
| 221 | F | 97.6 | Very high | 98.4 | Very high | 12 Ų | 12 | 37.1 Ų | 37.1 | 5% | 0.053 | 21% | 0.206 | C | C | . | . | S | Bend | trans | 65.4 | 68.2 | -178.9 | -164 | 175.6 | 0 | 0 | 0 | 111.1 | D182 H183 I195 T202 Y219 N223 I239 L240 F291 | D182-F221 HydrophobicContact CB-CD2 3.74Å; D182-F221 HydrophobicContact CB-CE2 3.66Å; D182-F221 WeakPolarHBondContact O-CD2 3.48Å; H183-F221 AromaticContact CE1-CE2 3.97Å; I195-F221 HydrophobicContact CD1-CD1 3.91Å; I195-F221 HydrophobicContact CD1-CE1 3.36Å; I195-F221 HydrophobicContact CD1-CZ 3.85Å; I195-F221 HydrophobicContact CG1-CD1 3.76Å; I195-F221 HydrophobicContact CG1-CE1 3.78Å; I195-F221 HydrophobicContact CG1-CG 4.48Å; T202-F221 PolarHBondContact OG1-N 2.94Å; T202-F221 VanDerWaalsContact OG1-N 3.15Å; Y219-F221 PolarHBondContact O-N 2.77Å; F221-N223 PolarHBondContact O-N 2.86Å; F221-I239 HydrophobicContact CB-CG2 3.51Å; F221-I239 HydrophobicContact CD1-CG2 3.76Å; F221-I239 HydrophobicContact CD2-CG2 4.34Å; F221-I239 HydrophobicContact CG-CG2 3.6Å; F221-I239 WeakPolarHBondContact O-CG2 3.45Å; F221-L240 HydrophobicContact CB-CD1 3.89Å; F221-L240 HydrophobicContact CB-CG 4.09Å; F221-L240 HydrophobicContact CD1-CD1 4.07Å; F221-L240 HydrophobicContact CD1-CG 4.24Å; F221-F291 HydrophobicContact CE1-CE1 4.39Å; F221-F291 AromaticContact CE1-CZ 3.75Å; F221-F291 HydrophobicContact CE1-CZ 3.75Å; F221-F291 HydrophobicContact CZ-CZ 4.45Å |
| 222 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 130.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | T180 D182 T202 Y219 V236 | T180-A222 HydrophobicContact CG2-CB 4.05Å; D182-A222 VanDerWaalsContact CA-O 3.3Å; D182-A222 WeakPolarHBondContact CA-O 3.46Å; D182-A222 VanDerWaalsContact CB-O 3.3Å; D182-A222 WeakPolarHBondContact CB-O 3.44Å; T202-A222 PolarHBondContact OG1-N 3.3Å; Y219-A222 HydrophobicContact CD1-CB 4.43Å; Y219-A222 HydrophobicContact CD2-CB 4.45Å; Y219-A222 HydrophobicContact CG-CB 3.98Å; A222-V236 HydrophobicContact CB-CG1 4.41Å |
| 223 | N | 98.7 | Very high | 98.5 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | -118.4 | -168 | -161 | -71.7 | 0 | 0 | 0 | 109.8 | N167 T180 F221 A237 D268 N269 | N167-N223 PolarHBondContact ND2-ND2 3.24Å; N167-N223 VanDerWaalsContact OD1-CA 3.31Å; N167-N223 WeakPolarHBondContact OD1-CA 3.35Å; N167-N223 VanDerWaalsContact OD1-CG 3.25Å; N167-N223 PolarHBondContact OD1-OD1 3.3Å; N167-N223 VanDerWaalsContact OD1-OD1 3.12Å; T180-N223 VanDerWaalsContact CB-O 3.26Å; T180-N223 WeakPolarHBondContact CB-O 3.19Å; T180-N223 WeakPolarHBondContact CG2-O 3.39Å; T180-N223 PolarHBondContact OG1-O 3.26Å; F221-N223 PolarHBondContact O-N 2.86Å; N223-A237 HydrophobicContact CB-CB 4.42Å; N223-A237 PolarHBondContact N-O 2.64Å; N223-A237 VanDerWaalsContact N-O 3.15Å; N223-D268 PolarHBondContact ND2-OD1 3.01Å; N223-D268 PolarHBondContact OD1-OD1 3.18Å; N223-N269 PolarHBondContact OD1-OD1 2.92Å |
| 224 | G | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -47.6 | 138.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | D168 V236 A237 D268 | D168-G224 WeakPolarHBondContact OD2-CA 3.45Å; G224-V236 WeakPolarHBondContact O-CA 3.39Å; G224-A237 PolarHBondContact O-N 3.36Å; G224-D268 WeakPolarHBondContact CA-O 3.28Å; G224-D268 PolarHBondContact N-O 2.89Å |
| 225 | I | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 132.2 | 176.7 | -174 | 172.8 | 0 | 0 | 0 | 111.8 | D168 V170 T180 V204 I234 Y235 V236 | D168-I225 HydrophobicContact CB-CG2 4.22Å; D168-I225 PolarHBondContact OD2-N 2.97Å; V170-I225 HydrophobicContact CG1-CD1 4.17Å; V170-I225 HydrophobicContact CG1-CG1 3.88Å; V170-I225 HydrophobicContact CG1-CG2 4.48Å; T180-I225 HydrophobicContact CG2-CB 3.86Å; T180-I225 HydrophobicContact CG2-CD1 4.17Å; T180-I225 HydrophobicContact CG2-CG2 4.14Å; V204-I225 HydrophobicContact CG1-CD1 3.74Å; I225-I234 HydrophobicContact CD1-CG2 3.81Å; I225-I234 HydrophobicContact CG1-CG2 3.74Å; I225-Y235 VanDerWaalsContact CA-O 3.27Å; I225-Y235 WeakPolarHBondContact CA-O 3.49Å; I225-Y235 WeakPolarHBondContact CG1-O 3.4Å; I225-V236 HydrophobicContact CD1-CG2 4.1Å; I225-V236 HydrophobicContact CG1-CG2 4.07Å |
| 226 | N | 98.9 | Very high | 98.5 | Very high | 28 Ų | 28 | 34 Ų | 34 | 15% | 0.15 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 178 | 178.6 | -144.4 | -39.2 | 0 | 0 | 0 | 112 | I234 Y235 V270 E271 V272 | N226-I234 CarbonylContact O-C 3.06Å; N226-I234 WeakPolarHBondContact O-CA 3.47Å; N226-Y235 PolarHBondContact N-O 2.57Å; N226-Y235 PolarHBondContact O-N 3.2Å; N226-V270 HydrophobicContact CB-CB 4.35Å; N226-V270 HydrophobicContact CB-CG1 4.32Å; N226-V270 VanDerWaalsContact CB-O 3.28Å; N226-V270 WeakPolarHBondContact CB-O 3.4Å; N226-V270 PolarHBondContact ND2-O 3.28Å; N226-E271 PolarHBondContact ND2-OE1 2.99Å; N226-V272 HydrophobicContact CB-CG2 3.82Å |
| 227 | M | 98.7 | Very high | 98.5 | Very high | 26 Ų | 26 | 33.3 Ų | 33.3 | 13% | 0.128 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 144.9 | -172.1 | -175.5 | 170 | 58.3 | 0 | 0 | 111.5 | V170 V172 Q231 Y233 I234 K249 | V170-M227 HydrophobicContact CG2-CB 3.86Å; V172-M227 HydrophobicContact CG1-CE 3.87Å; V172-M227 HydrophobicContact CG1-SD 3.87Å; M227-Q231 HydrophobicContact CE-CB 4.1Å; M227-Q231 HydrophobicContact CE-CG 3.75Å; M227-Q231 HydrophobicContact CG-CB 4.45Å; M227-Q231 HydrophobicContact SD-CB 3.74Å; M227-Q231 HydrophobicContact SD-CG 4.1Å; M227-Y233 CarbonylContact C-O 3.34Å; M227-Y233 VanDerWaalsContact CA-O 3.31Å; M227-Y233 WeakPolarHBondContact CA-O 3.47Å; M227-Y233 WeakPolarHBondContact CG-O 3.45Å; M227-I234 HydrophobicContact CB-CD1 3.78Å; M227-I234 HydrophobicContact CG-CD1 3.77Å; M227-I234 HydrophobicContact SD-CD1 4.02Å; M227-K249 HydrophobicContact SD-CD 4.44Å |
| 228 | S | 98.7 | Very high | 98.5 | Very high | 5 Ų | 5 | 28 Ų | 28 | 4% | 0.035 | 14% | 0.144 | C | C | . | . | trans | -62.4 | 152.7 | 173.5 | 60.4 | 0 | 0 | 0 | 0 | 111.7 | D230 Q231 R232 Y233 Y235 | S228-D230 WeakPolarHBondContact CB-OD1 3.41Å; S228-D230 PolarHBondContact O-N 2.83Å; S228-D230 VanDerWaalsContact O-N 3.15Å; S228-D230 PolarHBondContact OG-OD1 3Å; S228-Q231 WeakPolarHBondContact O-CA 3.32Å; S228-Q231 PolarHBondContact O-N 3.34Å; S228-R232 PolarHBondContact OG-N 3.1Å; S228-Y233 PolarHBondContact N-O 3.28Å; S228-Y233 PolarHBondContact OG-N 3.12Å; S228-Y233 PolarHBondContact OG-O 3.02Å; S228-Y235 WeakPolarHBondContact CB-OH 3.44Å | ||
| 229 | P | 97.7 | Very high | 98.5 | Very high | 70 Ų | 70 | 26.4 Ų | 26.4 | 46% | 0.455 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -30.2 | 179.7 | -26.3 | 36 | 0 | 0 | 0 | 113.8 | Q231 V272 | P229-Q231 PolarHBondContact O-N 3.25Å; P229-V272 HydrophobicContact CG-CG1 4.16Å |
| 230 | D | 97.6 | Very high | 98.4 | Very high | 77 Ų | 77 | 26.5 Ų | 26.5 | 41% | 0.412 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 2.1 | 175.7 | 71.1 | -1.4 | 0 | 0 | 0 | 114 | S228 R232 | S228-D230 WeakPolarHBondContact CB-OD1 3.41Å; S228-D230 PolarHBondContact O-N 2.83Å; S228-D230 VanDerWaalsContact O-N 3.15Å; S228-D230 PolarHBondContact OG-OD1 3Å; D230-R232 PolarHBondContact O-N 2.82Å; D230-R232 VanDerWaalsContact O-N 3.14Å; D230-R232 WeakPolarHBondContact OD1-CB 3.48Å; D230-R232 PolarHBondContact OD1-N 2.67Å; D230-R232 VanDerWaalsContact OD1-N 3.13Å; D230-R232 IonicContact OD2-CZ 2.63Å; D230-R232 IonicContact OD2-NE 2.86Å; D230-R232 PolarHBondContact OD2-NE 3.34Å; D230-R232 IonicContact OD2-NH2 3.12Å; D230-R232 PolarHBondContact OD2-NH2 3.33Å |
| 231 | Q | 97.8 | Very high | 98.4 | Very high | 114 Ų | 114 | 27.2 Ų | 27.2 | 53% | 0.533 | 13% | 0.132 | S | C | . | . | S | Bend | trans | 59.8 | 17.6 | 178.8 | -48.9 | -176.6 | 20.4 | 0 | 0 | 115.3 | M227 S228 P229 | M227-Q231 HydrophobicContact CE-CB 4.1Å; M227-Q231 HydrophobicContact CE-CG 3.75Å; M227-Q231 HydrophobicContact CG-CB 4.45Å; M227-Q231 HydrophobicContact SD-CB 3.74Å; M227-Q231 HydrophobicContact SD-CG 4.1Å; S228-Q231 WeakPolarHBondContact O-CA 3.32Å; S228-Q231 PolarHBondContact O-N 3.34Å; P229-Q231 PolarHBondContact O-N 3.25Å |
| 232 | R | 98.4 | Very high | 98.4 | Very high | 130 Ų | 130 | 27.9 Ų | 27.9 | 49% | 0.491 | 14% | 0.136 | S | C | . | . | trans | -92.3 | -20.6 | -178.9 | -66 | -166.2 | -62.7 | 146.6 | 3.7 | 113.7 | S228 D230 K249 | S228-R232 PolarHBondContact OG-N 3.1Å; D230-R232 PolarHBondContact O-N 2.82Å; D230-R232 VanDerWaalsContact O-N 3.14Å; D230-R232 WeakPolarHBondContact OD1-CB 3.48Å; D230-R232 PolarHBondContact OD1-N 2.67Å; D230-R232 VanDerWaalsContact OD1-N 3.13Å; D230-R232 IonicContact OD2-CZ 2.63Å; D230-R232 IonicContact OD2-NE 2.86Å; D230-R232 PolarHBondContact OD2-NE 3.34Å; D230-R232 IonicContact OD2-NH2 3.12Å; D230-R232 PolarHBondContact OD2-NH2 3.33Å; R232-K249 PolarHBondContact O-N 3.06Å | ||
| 233 | Y | 98.8 | Very high | 98.4 | Very high | 31 Ų | 31 | 28.1 Ų | 28.1 | 12% | 0.122 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 140.2 | -175.4 | -55.5 | -80.9 | 0 | 0 | 0 | 111.6 | M227 S228 V246 L247 E248 I258 L310 | M227-Y233 CarbonylContact C-O 3.34Å; M227-Y233 VanDerWaalsContact CA-O 3.31Å; M227-Y233 WeakPolarHBondContact CA-O 3.47Å; M227-Y233 WeakPolarHBondContact CG-O 3.45Å; S228-Y233 PolarHBondContact N-O 3.28Å; S228-Y233 PolarHBondContact OG-N 3.12Å; S228-Y233 PolarHBondContact OG-O 3.02Å; Y233-V246 HydrophobicContact CD1-CG1 4.12Å; Y233-L247 CarbonylContact C-O 3.51Å; Y233-L247 WeakPolarHBondContact CA-O 3.34Å; Y233-E248 HydrophobicContact CD1-CB 4.35Å; Y233-E248 HydrophobicContact CE1-CB 4.29Å; Y233-E248 HydrophobicContact CE1-CG 4.38Å; Y233-I258 HydrophobicContact CE1-CG1 4.45Å; Y233-L310 HydrophobicContact CD1-CD2 4.08Å; Y233-L310 HydrophobicContact CD2-CD1 3.87Å; Y233-L310 HydrophobicContact CD2-CD2 4.45Å; Y233-L310 HydrophobicContact CE1-CD1 4.43Å; Y233-L310 HydrophobicContact CE1-CD2 3.95Å; Y233-L310 HydrophobicContact CE2-CD1 3.42Å; Y233-L310 VanDerWaalsContact CE2-CD1 3.42Å; Y233-L310 HydrophobicContact CE2-CD2 4.33Å; Y233-L310 HydrophobicContact CG-CD2 4.32Å |
| 234 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 135.8 | 169.4 | -60.8 | -62.4 | 0 | 0 | 0 | 108.1 | V170 Y178 I225 N226 M227 V236 L247 K249 L255 | V170-I234 HydrophobicContact CG1-CD1 4.15Å; Y178-I234 HydrophobicContact CD2-CD1 3.91Å; Y178-I234 HydrophobicContact CD2-CG1 4.39Å; Y178-I234 HydrophobicContact CE2-CD1 4.08Å; Y178-I234 HydrophobicContact CE2-CG1 4.37Å; I225-I234 HydrophobicContact CD1-CG2 3.81Å; I225-I234 HydrophobicContact CG1-CG2 3.74Å; N226-I234 CarbonylContact O-C 3.06Å; N226-I234 WeakPolarHBondContact O-CA 3.47Å; M227-I234 HydrophobicContact CB-CD1 3.78Å; M227-I234 HydrophobicContact CG-CD1 3.77Å; M227-I234 HydrophobicContact SD-CD1 4.02Å; I234-V236 HydrophobicContact CG2-CG2 4.05Å; I234-L247 HydrophobicContact CB-CB 4.4Å; I234-L247 HydrophobicContact CG2-CD1 4.49Å; I234-L247 PolarHBondContact N-O 3.2Å; I234-L247 PolarHBondContact O-N 3.27Å; I234-K249 HydrophobicContact CG1-CB 4.43Å; I234-L255 HydrophobicContact CB-CD1 4.29Å; I234-L255 HydrophobicContact CB-CD2 4.25Å; I234-L255 HydrophobicContact CG1-CD1 4.35Å; I234-L255 HydrophobicContact CG1-CD2 3.71Å; I234-L255 HydrophobicContact CG2-CD1 4.23Å |
| 235 | Y | 98.9 | Very high | 98.4 | Very high | 7 Ų | 7 | 29.1 Ų | 29.1 | 3% | 0.027 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 130.9 | 176.3 | -51.9 | -60.4 | 0 | 0 | 0 | 108.9 | I225 N226 S228 N245 V246 V272 L279 I309 | I225-Y235 VanDerWaalsContact CA-O 3.27Å; I225-Y235 WeakPolarHBondContact CA-O 3.49Å; I225-Y235 WeakPolarHBondContact CG1-O 3.4Å; N226-Y235 PolarHBondContact N-O 2.57Å; N226-Y235 PolarHBondContact O-N 3.2Å; S228-Y235 WeakPolarHBondContact CB-OH 3.44Å; Y235-N245 WeakPolarHBondContact CA-O 3.34Å; Y235-V246 HydrophobicContact CD1-CB 4.47Å; Y235-V246 HydrophobicContact CD1-CG1 4.27Å; Y235-V246 HydrophobicContact CD1-CG2 4.08Å; Y235-V246 HydrophobicContact CE1-CG1 3.96Å; Y235-V246 HydrophobicContact CE1-CG2 4.17Å; Y235-V272 HydrophobicContact CD2-CG2 3.81Å; Y235-V272 HydrophobicContact CE2-CG2 3.97Å; Y235-L279 HydrophobicContact CD1-CD2 4.01Å; Y235-L279 HydrophobicContact CD2-CD1 4.2Å; Y235-L279 HydrophobicContact CD2-CD2 4.08Å; Y235-L279 HydrophobicContact CD2-CG 4.19Å; Y235-L279 HydrophobicContact CE1-CD1 4.33Å; Y235-L279 HydrophobicContact CE2-CD1 3.92Å; Y235-L279 HydrophobicContact CE2-CG 4.39Å; Y235-L279 HydrophobicContact CG-CD2 3.77Å; Y235-L279 HydrophobicContact CG-CG 4.39Å; Y235-I309 HydrophobicContact CD1-CD1 4.38Å; Y235-I309 HydrophobicContact CE1-CD1 4.39Å; Y235-I309 HydrophobicContact CE1-CG2 3.78Å |
| 236 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 121.6 | 179.2 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | T180 V204 Y219 A222 G224 I225 I234 N238 V244 N245 L247 | T180-V236 HydrophobicContact CG2-CG1 3.87Å; V204-V236 HydrophobicContact CG2-CG1 4.15Å; V204-V236 HydrophobicContact CG2-CG2 3.89Å; Y219-V236 HydrophobicContact CD1-CG1 3.93Å; Y219-V236 HydrophobicContact CE1-CB 3.87Å; Y219-V236 HydrophobicContact CE1-CG1 3.57Å; A222-V236 HydrophobicContact CB-CG1 4.41Å; G224-V236 WeakPolarHBondContact O-CA 3.39Å; I225-V236 HydrophobicContact CD1-CG2 4.1Å; I225-V236 HydrophobicContact CG1-CG2 4.07Å; I234-V236 HydrophobicContact CG2-CG2 4.05Å; V236-N238 PolarHBondContact O-N 2.86Å; V236-V244 WeakPolarHBondContact O-CA 3.47Å; V236-N245 PolarHBondContact N-O 3.24Å; V236-N245 PolarHBondContact O-N 2.71Å; V236-L247 HydrophobicContact CG2-CD1 3.8Å |
| 237 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 127.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | N223 G224 D268 V270 | N223-A237 HydrophobicContact CB-CB 4.42Å; N223-A237 PolarHBondContact N-O 2.64Å; N223-A237 VanDerWaalsContact N-O 3.15Å; G224-A237 PolarHBondContact O-N 3.36Å; A237-D268 WeakPolarHBondContact CB-O 3.44Å; A237-V270 HydrophobicContact CB-CG2 3.85Å |
| 238 | N | 98.5 | Very high | 98.4 | Very high | 6 Ų | 6 | 29.7 Ų | 29.7 | 3% | 0.032 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 77.6 | 176.4 | -170.4 | -14.9 | 0 | 0 | 0 | 107.1 | Y219 H220 V236 L240 N241 H242 S243 | Y219-N238 HydrophobicContact CD1-CB 4.01Å; H220-N238 WeakPolarHBondContact CA-OD1 2.87Å; H220-N238 PolarHBondContact N-OD1 3.05Å; H220-N238 PolarHBondContact O-OD1 3.17Å; V236-N238 PolarHBondContact O-N 2.86Å; N238-L240 PolarHBondContact O-N 2.71Å; N238-N241 HydrophobicContact CB-CB 4.07Å; N238-N241 CarbonylContact O-C 3.48Å; N238-N241 WeakPolarHBondContact O-CA 3.46Å; N238-N241 WeakPolarHBondContact O-CB 3.45Å; N238-N241 PolarHBondContact O-N 2.83Å; N238-N241 VanDerWaalsContact OD1-CB 3.25Å; N238-N241 WeakPolarHBondContact OD1-CB 3.45Å; N238-H242 PolarHBondContact O-N 3.4Å; N238-H242 VanDerWaalsContact O-N 3.13Å; N238-S243 PolarHBondContact N-O 3.01Å; N238-S243 PolarHBondContact O-N 2.85Å |
| 239 | I | 97.7 | Very high | 98.4 | Very high | 6 Ų | 6 | 31.8 Ų | 31.8 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -56 | -50.2 | -160.4 | -169.6 | 176.6 | 0 | 0 | 0 | 112 | F221 N241 H242 L266 C267 | F221-I239 HydrophobicContact CB-CG2 3.51Å; F221-I239 HydrophobicContact CD1-CG2 3.76Å; F221-I239 HydrophobicContact CD2-CG2 4.34Å; F221-I239 HydrophobicContact CG-CG2 3.6Å; F221-I239 WeakPolarHBondContact O-CG2 3.45Å; I239-N241 PolarHBondContact O-N 2.96Å; I239-H242 PolarHBondContact O-CD2 3.48Å; I239-H242 VanDerWaalsContact O-CD2 3.27Å; I239-H242 PolarHBondContact O-N 2.86Å; I239-L266 HydrophobicContact CD1-CB 4.24Å; I239-L266 HydrophobicContact CG1-CB 3.73Å; I239-L266 HydrophobicContact CG1-CD2 4.25Å; I239-C267 WeakPolarHBondContact CG1-O 3.37Å |
| 240 | L | 97.3 | Very high | 98.4 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -77.7 | -9.3 | -178.1 | -64.7 | 174.5 | 0 | 0 | 0 | 112.8 | R28 I195 L198 H220 F221 N238 L266 | R28-L240 PolarHBondContact NE-O 3.19Å; R28-L240 PolarHBondContact NH2-O 2.81Å; I195-L240 HydrophobicContact CG2-CD1 4.16Å; L198-L240 HydrophobicContact CD2-CB 4.2Å; L198-L240 HydrophobicContact CD2-CD1 4.01Å; L198-L240 HydrophobicContact CD2-CD2 4.43Å; L198-L240 HydrophobicContact CD2-CG 4.45Å; H220-L240 HydrophobicContact CB-CB 3.73Å; H220-L240 PolarHBondContact O-N 2.75Å; F221-L240 HydrophobicContact CB-CD1 3.89Å; F221-L240 HydrophobicContact CB-CG 4.09Å; F221-L240 HydrophobicContact CD1-CD1 4.07Å; F221-L240 HydrophobicContact CD1-CG 4.24Å; N238-L240 PolarHBondContact O-N 2.71Å; L240-L266 HydrophobicContact CD2-CD2 4.03Å |
| 241 | N | 97.2 | Very high | 98.3 | Very high | 50 Ų | 50 | 38 Ų | 38 | 27% | 0.267 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -90.2 | -5.5 | 168.2 | -162.5 | 63 | 0 | 0 | 0 | 113.5 | R28 N238 I239 S243 | R28-N241 PolarHBondContact NH1-OD1 2.86Å; R28-N241 PolarHBondContact NH2-OD1 2.91Å; R28-N241 VanDerWaalsContact NH2-OD1 3.11Å; N238-N241 HydrophobicContact CB-CB 4.07Å; N238-N241 CarbonylContact O-C 3.48Å; N238-N241 WeakPolarHBondContact O-CA 3.46Å; N238-N241 WeakPolarHBondContact O-CB 3.45Å; N238-N241 PolarHBondContact O-N 2.83Å; N238-N241 VanDerWaalsContact OD1-CB 3.25Å; N238-N241 WeakPolarHBondContact OD1-CB 3.45Å; I239-N241 PolarHBondContact O-N 2.96Å; N241-S243 VanDerWaalsContact C-N 3.29Å; N241-S243 PolarHBondContact ND2-OG 3.39Å; N241-S243 PolarHBondContact O-N 3.02Å |
| 242 | H | 98 | Very high | 98.3 | Very high | 27 Ų | 27 | 36.7 Ų | 36.7 | 13% | 0.125 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 42.4 | -177.1 | -47.8 | 155.1 | 0 | 0 | 0 | 112.3 | R28 N238 I239 L263 S265 | R28-H242 PolarHBondContact O-CE1 2.8Å; R28-H242 VanDerWaalsContact O-CE1 3.24Å; R28-H242 PolarHBondContact O-NE2 2.77Å; N238-H242 PolarHBondContact O-N 3.4Å; N238-H242 VanDerWaalsContact O-N 3.13Å; I239-H242 PolarHBondContact O-CD2 3.48Å; I239-H242 VanDerWaalsContact O-CD2 3.27Å; I239-H242 PolarHBondContact O-N 2.86Å; H242-L263 PolarHBondContact O-N 3.22Å; H242-S265 VanDerWaalsContact CA-O 3.23Å; H242-S265 WeakPolarHBondContact CA-O 3.39Å; H242-S265 WeakPolarHBondContact CB-O 3.44Å |
| 243 | S | 98.4 | Very high | 98.2 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 3% | 0.028 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 155.9 | -173.9 | 64.4 | 0 | 0 | 0 | 0 | 113.5 | N238 N241 S260 M261 | N238-S243 PolarHBondContact N-O 3.01Å; N238-S243 PolarHBondContact O-N 2.85Å; N241-S243 VanDerWaalsContact C-N 3.29Å; N241-S243 PolarHBondContact ND2-OG 3.39Å; N241-S243 PolarHBondContact O-N 3.02Å; S243-S260 WeakPolarHBondContact CB-OG 3.2Å; S243-S260 PolarHBondContact OG-OG 3.19Å; S243-M261 CarbonylContact C-O 3.54Å; S243-M261 WeakPolarHBondContact CA-O 3.26Å; S243-M261 VanDerWaalsContact CB-O 3.25Å; S243-M261 WeakPolarHBondContact CB-O 3.4Å |
| 244 | V | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 125.3 | 161.6 | 168.8 | 0 | 0 | 0 | 0 | 109.1 | V236 M261 L263 V270 L279 L281 I306 I309 | V236-V244 WeakPolarHBondContact O-CA 3.47Å; V244-M261 PolarHBondContact N-O 3.37Å; V244-M261 PolarHBondContact O-N 3.03Å; V244-L263 HydrophobicContact CB-CD1 4.43Å; V244-L263 HydrophobicContact CG2-CD1 3.65Å; V244-V270 HydrophobicContact CG2-CG2 4.41Å; V244-L279 HydrophobicContact CG1-CD2 3.89Å; V244-L281 HydrophobicContact CG2-CD2 3.42Å; V244-L281 VanDerWaalsContact CG2-CD2 3.42Å; V244-I306 HydrophobicContact CG2-CD1 4.49Å; V244-I309 HydrophobicContact CG1-CD1 4.3Å |
| 245 | N | 98.8 | Very high | 98.2 | Very high | 26 Ų | 26 | 33.6 Ų | 33.6 | 14% | 0.139 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 130.9 | 175.7 | -72.7 | 10.3 | 0 | 0 | 0 | 109.8 | Y219 Y235 V236 S260 | Y219-N245 HydrophobicContact CE1-CB 4Å; Y219-N245 WeakPolarHBondContact CE1-ND2 3.41Å; Y235-N245 WeakPolarHBondContact CA-O 3.34Å; V236-N245 PolarHBondContact N-O 3.24Å; V236-N245 PolarHBondContact O-N 2.71Å; N245-S260 WeakPolarHBondContact OD1-CB 3.31Å; N245-S260 PolarHBondContact OD1-OG 3.13Å |
| 246 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 121.5 | 173.6 | -174.8 | 0 | 0 | 0 | 0 | 108.4 | Y233 Y235 I258 K259 I309 L310 | Y233-V246 HydrophobicContact CD1-CG1 4.12Å; Y235-V246 HydrophobicContact CD1-CB 4.47Å; Y235-V246 HydrophobicContact CD1-CG1 4.27Å; Y235-V246 HydrophobicContact CD1-CG2 4.08Å; Y235-V246 HydrophobicContact CE1-CG1 3.96Å; Y235-V246 HydrophobicContact CE1-CG2 4.17Å; V246-I258 HydrophobicContact CG1-CB 4.39Å; V246-I258 WeakPolarHBondContact O-CB 3.47Å; V246-I258 PolarHBondContact O-N 2.88Å; V246-K259 HydrophobicContact CB-CG 4.09Å; V246-K259 HydrophobicContact CG2-CG 4.04Å; V246-K259 PolarHBondContact N-O 2.78Å; V246-K259 PolarHBondContact O-N 2.88Å; V246-I309 HydrophobicContact CG2-CD1 3.65Å; V246-I309 HydrophobicContact CG2-CG1 3.86Å; V246-L310 HydrophobicContact CG1-CD2 3.82Å |
| 247 | L | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 134.3 | -177.3 | -50.3 | 168.5 | 0 | 0 | 0 | 109.2 | Y219 Y233 I234 V236 L255 T256 P257 | Y219-L247 WeakPolarHBondContact OH-CD1 3.32Å; Y233-L247 CarbonylContact C-O 3.51Å; Y233-L247 WeakPolarHBondContact CA-O 3.34Å; I234-L247 HydrophobicContact CB-CB 4.4Å; I234-L247 HydrophobicContact CG2-CD1 4.49Å; I234-L247 PolarHBondContact N-O 3.2Å; I234-L247 PolarHBondContact O-N 3.27Å; V236-L247 HydrophobicContact CG2-CD1 3.8Å; L247-L255 HydrophobicContact CB-CB 4.06Å; L247-L255 HydrophobicContact CD1-CB 4.11Å; L247-L255 HydrophobicContact CD1-CD1 3.61Å; L247-L255 HydrophobicContact CD1-CG 4.44Å; L247-T256 CarbonylContact C-O 3.52Å; L247-T256 WeakPolarHBondContact CA-O 3.37Å; L247-P257 HydrophobicContact CD2-CB 4.06Å; L247-P257 HydrophobicContact CD2-CG 4.09Å |
| 248 | E | 98.8 | Very high | 98.1 | Very high | 65 Ų | 65 | 44.3 Ų | 44.3 | 30% | 0.304 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 126.5 | 171.4 | -175.1 | -172.3 | -177.7 | 0 | 0 | 110.1 | Y233 K250 L255 T256 I258 | Y233-E248 HydrophobicContact CD1-CB 4.35Å; Y233-E248 HydrophobicContact CE1-CB 4.29Å; Y233-E248 HydrophobicContact CE1-CG 4.38Å; E248-K250 IonicContact OE1-NZ 3.2Å; E248-K250 PolarHBondContact OE1-NZ 3.13Å; E248-K250 IonicContact OE2-NZ 3.65Å; E248-K250 PolarHBondContact OE2-NZ 3.05Å; E248-L255 WeakPolarHBondContact O-CA 3.44Å; E248-T256 PolarHBondContact N-O 2.78Å; E248-T256 PolarHBondContact O-N 3.07Å; E248-I258 HydrophobicContact CB-CD1 3.83Å; E248-I258 HydrophobicContact CB-CG1 3.84Å |
| 249 | K | 98.6 | Very high | 98 | Very high | 49 Ų | 49 | 46.8 Ų | 46.8 | 21% | 0.213 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 118.9 | 175.8 | 179.5 | 171.1 | 174.1 | -70.5 | 0 | 110.5 | Y178 M227 R232 I234 L255 | Y178-K249 HydrophobicContact CE2-CD 3.92Å; Y178-K249 VanDerWaalsContact OH-CE 3.27Å; Y178-K249 WeakPolarHBondContact OH-CE 3.29Å; Y178-K249 WeakPolarHBondContact OH-CG 3.49Å; M227-K249 HydrophobicContact SD-CD 4.44Å; R232-K249 PolarHBondContact O-N 3.06Å; I234-K249 HydrophobicContact CG1-CB 4.43Å; K249-L255 HydrophobicContact CB-CD2 4.11Å; K249-L255 HydrophobicContact CG-CD2 4.39Å |
| 250 | K | 98.4 | Very high | 98 | Very high | 65 Ų | 65 | 49.3 Ų | 49.3 | 28% | 0.283 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -86.5 | 166.3 | 176.8 | -56.4 | -56.8 | -176.8 | 176.3 | 0 | 111.5 | E248 D252 N253 T254 T256 | E248-K250 IonicContact OE1-NZ 3.2Å; E248-K250 PolarHBondContact OE1-NZ 3.13Å; E248-K250 IonicContact OE2-NZ 3.65Å; E248-K250 PolarHBondContact OE2-NZ 3.05Å; K250-D252 WeakPolarHBondContact CB-OD1 3.33Å; K250-D252 PolarHBondContact O-N 3.3Å; K250-N253 PolarHBondContact O-N 3.22Å; K250-T254 WeakPolarHBondContact CB-O 3.34Å; K250-T254 WeakPolarHBondContact CB-OG1 3.28Å; K250-T254 PolarHBondContact N-O 3.47Å; K250-T256 WeakPolarHBondContact CE-OG1 3.24Å |
| 251 | K | 96.5 | Very high | 98 | Very high | 214 Ų | 214 | 50.1 Ų | 50.1 | 93% | 0.93 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -28.9 | -178.7 | -70.7 | -175.7 | 177.2 | -179.6 | 0 | 113.5 | N253 | K251-N253 PolarHBondContact O-N 3.15Š|
| 252 | D | 96.4 | Very high | 98 | Very high | 86 Ų | 86 | 52.3 Ų | 52.3 | 46% | 0.46 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 14.3 | 176.8 | 68.1 | -9.8 | 0 | 0 | 0 | 112.8 | K213 K250 T254 | K213-D252 PolarHBondContact NZ-O 2.96Å; K250-D252 WeakPolarHBondContact CB-OD1 3.33Å; K250-D252 PolarHBondContact O-N 3.3Å; D252-T254 PolarHBondContact O-N 2.91Å; D252-T254 WeakPolarHBondContact OD1-CB 3.49Å; D252-T254 WeakPolarHBondContact OD1-CG2 3.49Å; D252-T254 PolarHBondContact OD1-N 3.33Å; D252-T254 PolarHBondContact OD1-OG1 3.15Å; D252-T254 WeakPolarHBondContact OD2-CG2 3.23Å |
| 253 | N | 97.6 | Very high | 97.9 | Very high | 40 Ų | 40 | 52 Ų | 52 | 21% | 0.214 | 28% | 0.275 | C | S | . | . | S | Bend | trans | 65.2 | 6.7 | -177.1 | -55.2 | -53.8 | 0 | 0 | 0 | 115.5 | Y178 F206 K250 K251 | Y178-N253 VanDerWaalsContact CE1-O 3.29Å; Y178-N253 WeakPolarHBondContact CE1-O 3.46Å; Y178-N253 VanDerWaalsContact OH-CA 3.28Å; Y178-N253 WeakPolarHBondContact OH-CA 3.25Å; Y178-N253 WeakPolarHBondContact OH-CB 3.11Å; Y178-N253 PolarHBondContact OH-O 2.84Å; F206-N253 HydrophobicContact CD1-CB 3.88Å; F206-N253 HydrophobicContact CD2-CB 3.85Å; F206-N253 HydrophobicContact CE1-CB 3.81Å; F206-N253 HydrophobicContact CE2-CB 3.77Å; F206-N253 HydrophobicContact CG-CB 3.89Å; F206-N253 HydrophobicContact CZ-CB 3.76Å; F206-N253 VanDerWaalsContact CZ-CG 3.49Å; F206-N253 WeakPolarHBondContact CZ-ND2 3.46Å; K250-N253 PolarHBondContact O-N 3.22Å; K251-N253 PolarHBondContact O-N 3.15Å |
| 254 | T | 98.3 | Very high | 97.7 | Very high | 43 Ų | 43 | 53.9 Ų | 53.9 | 26% | 0.264 | 30% | 0.295 | S | S | . | . | trans | -69.5 | 157.6 | 168 | 63.1 | 0 | 0 | 0 | 0 | 111.1 | K250 D252 | K250-T254 WeakPolarHBondContact CB-O 3.34Å; K250-T254 WeakPolarHBondContact CB-OG1 3.28Å; K250-T254 PolarHBondContact N-O 3.47Å; D252-T254 PolarHBondContact O-N 2.91Å; D252-T254 WeakPolarHBondContact OD1-CB 3.49Å; D252-T254 WeakPolarHBondContact OD1-CG2 3.49Å; D252-T254 PolarHBondContact OD1-N 3.33Å; D252-T254 PolarHBondContact OD1-OG1 3.15Å; D252-T254 WeakPolarHBondContact OD2-CG2 3.23Å | ||
| 255 | L | 98.8 | Very high | 97.7 | Very high | 13 Ų | 13 | 53.9 Ų | 53.9 | 7% | 0.068 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 130.1 | -178 | -59.3 | -176.1 | 0 | 0 | 0 | 109.9 | Y178 V204 V215 I234 L247 E248 K249 | Y178-L255 HydrophobicContact CD1-CD1 4.02Å; Y178-L255 HydrophobicContact CD1-CG 4.46Å; Y178-L255 HydrophobicContact CE1-CD1 4.04Å; Y178-L255 HydrophobicContact CE1-CD2 3.82Å; Y178-L255 HydrophobicContact CE1-CG 3.96Å; V204-L255 HydrophobicContact CG1-CD1 4.14Å; V215-L255 HydrophobicContact CB-CB 4.48Å; V215-L255 HydrophobicContact CB-CD1 4.36Å; V215-L255 HydrophobicContact CB-CG 4.06Å; V215-L255 HydrophobicContact CG2-CD1 3.64Å; V215-L255 HydrophobicContact CG2-CG 3.86Å; I234-L255 HydrophobicContact CB-CD1 4.29Å; I234-L255 HydrophobicContact CB-CD2 4.25Å; I234-L255 HydrophobicContact CG1-CD1 4.35Å; I234-L255 HydrophobicContact CG1-CD2 3.71Å; I234-L255 HydrophobicContact CG2-CD1 4.23Å; L247-L255 HydrophobicContact CB-CB 4.06Å; L247-L255 HydrophobicContact CD1-CB 4.11Å; L247-L255 HydrophobicContact CD1-CD1 3.61Å; L247-L255 HydrophobicContact CD1-CG 4.44Å; E248-L255 WeakPolarHBondContact O-CA 3.44Å; K249-L255 HydrophobicContact CB-CD2 4.11Å; K249-L255 HydrophobicContact CG-CD2 4.39Å |
| 256 | T | 98.6 | Very high | 97.6 | Very high | 56 Ų | 56 | 52.8 Ų | 52.8 | 34% | 0.344 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 123.7 | 175.4 | -59.3 | 0 | 0 | 0 | 0 | 110 | L247 E248 K250 I258 | L247-T256 CarbonylContact C-O 3.52Å; L247-T256 WeakPolarHBondContact CA-O 3.37Å; E248-T256 PolarHBondContact N-O 2.78Å; E248-T256 PolarHBondContact O-N 3.07Å; K250-T256 WeakPolarHBondContact CE-OG1 3.24Å; T256-I258 PolarHBondContact O-N 3.38Å |
| 257 | P | 98.4 | Very high | 97.6 | Very high | 93 Ų | 93 | 53 Ų | 53 | 60% | 0.604 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 130.4 | 177.4 | -22.1 | 32.8 | 0 | 0 | 0 | 112.2 | L247 | L247-P257 HydrophobicContact CD2-CB 4.06Å; L247-P257 HydrophobicContact CD2-CG 4.09Å |
| 258 | I | 98.1 | Very high | 97.6 | Very high | 83 Ų | 83 | 53.3 Ų | 53.3 | 43% | 0.426 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -53.7 | 173.6 | -60.5 | -56.9 | 0 | 0 | 0 | 109.7 | Y233 V246 E248 T256 | Y233-I258 HydrophobicContact CE1-CG1 4.45Å; V246-I258 HydrophobicContact CG1-CB 4.39Å; V246-I258 WeakPolarHBondContact O-CB 3.47Å; V246-I258 PolarHBondContact O-N 2.88Å; E248-I258 HydrophobicContact CB-CD1 3.83Å; E248-I258 HydrophobicContact CB-CG1 3.84Å; T256-I258 PolarHBondContact O-N 3.38Å |
| 259 | K | 96.7 | Very high | 97.6 | Very high | 58 Ų | 58 | 50.2 Ų | 50.2 | 25% | 0.252 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 163.7 | 175.8 | 62.9 | -176.7 | 178.3 | -173.9 | 0 | 112.8 | V246 M261 I309 L310 S311 | V246-K259 HydrophobicContact CB-CG 4.09Å; V246-K259 HydrophobicContact CG2-CG 4.04Å; V246-K259 PolarHBondContact N-O 2.78Å; V246-K259 PolarHBondContact O-N 2.88Å; K259-M261 HydrophobicContact CD-CE 4.44Å; K259-I309 WeakPolarHBondContact CE-O 3.5Å; K259-I309 PolarHBondContact NZ-O 3.18Å; K259-L310 PolarHBondContact NZ-O 3.41Å; K259-S311 PolarHBondContact NZ-O 2.84Å |
| 260 | S | 97.6 | Very high | 97.6 | Very high | 58 Ų | 58 | 48 Ų | 48 | 41% | 0.406 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 114.3 | 169.8 | -172.9 | 0 | 0 | 0 | 0 | 108.1 | S243 N245 P262 | S243-S260 WeakPolarHBondContact CB-OG 3.2Å; S243-S260 PolarHBondContact OG-OG 3.19Å; N245-S260 WeakPolarHBondContact OD1-CB 3.31Å; N245-S260 PolarHBondContact OD1-OG 3.13Å; S260-P262 WeakPolarHBondContact O-CD 3.42Å |
| 261 | M | 97.1 | Very high | 97.7 | Very high | 22 Ų | 22 | 45.3 Ų | 45.3 | 11% | 0.108 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 113.2 | -177.4 | -179.2 | 56.1 | 58.6 | 0 | 0 | 109.7 | S243 V244 K259 L263 P314 | S243-M261 CarbonylContact C-O 3.54Å; S243-M261 WeakPolarHBondContact CA-O 3.26Å; S243-M261 VanDerWaalsContact CB-O 3.25Å; S243-M261 WeakPolarHBondContact CB-O 3.4Å; V244-M261 PolarHBondContact N-O 3.37Å; V244-M261 PolarHBondContact O-N 3.03Å; K259-M261 HydrophobicContact CD-CE 4.44Å; M261-L263 HydrophobicContact CG-CD2 4.24Å; M261-P314 HydrophobicContact CE-CB 3.83Å; M261-P314 HydrophobicContact CE-CG 3.4Å; M261-P314 VanDerWaalsContact CE-CG 3.4Å; M261-P314 HydrophobicContact SD-CB 4.48Å |
| 262 | P | 97.1 | Very high | 97.8 | Very high | 96 Ų | 96 | 36 Ų | 36 | 62% | 0.623 | 22% | 0.218 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 138.4 | 176.4 | 29.3 | -34.5 | 0 | 0 | 0 | 111.2 | S260 | S260-P262 WeakPolarHBondContact O-CD 3.42Å |
| 263 | L | 95.8 | Very high | 97.8 | Very high | 20 Ų | 20 | 33 Ų | 33 | 11% | 0.105 | 20% | 0.201 | C | C | . | . | trans | -116.2 | -24.9 | -178.1 | -56.5 | -179.3 | 0 | 0 | 0 | 112.8 | H242 V244 M261 S265 C267 L281 I304 I306 | H242-L263 PolarHBondContact O-N 3.22Å; V244-L263 HydrophobicContact CB-CD1 4.43Å; V244-L263 HydrophobicContact CG2-CD1 3.65Å; M261-L263 HydrophobicContact CG-CD2 4.24Å; L263-S265 PolarHBondContact O-N 3.04Å; L263-C267 HydrophobicContact CD1-CB 3.79Å; L263-L281 HydrophobicContact CD1-CD2 4.11Å; L263-I304 HydrophobicContact CB-CD1 4.48Å; L263-I306 HydrophobicContact CD2-CD1 3.44Å; L263-I306 VanDerWaalsContact CD2-CD1 3.44Å; L263-I306 HydrophobicContact CD2-CG1 4.06Å | ||
| 264 | G | 94.4 | Very high | 97.8 | Very high | 44 Ų | 44 | 35.7 Ų | 35.7 | 45% | 0.454 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 69.3 | 15.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 265 | S | 97.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -139.8 | 165.3 | 177.1 | -171.8 | 0 | 0 | 0 | 0 | 111 | R33 H242 L263 C267 C283 H284 E302 | R33-S265 PolarHBondContact NH1-OG 2.93Å; H242-S265 VanDerWaalsContact CA-O 3.23Å; H242-S265 WeakPolarHBondContact CA-O 3.39Å; H242-S265 WeakPolarHBondContact CB-O 3.44Å; L263-S265 PolarHBondContact O-N 3.04Å; S265-C267 VanDerWaalsContact C-N 3.32Å; S265-C267 PolarHBondContact O-N 3.17Å; S265-C283 VanDerWaalsContact OG-CB 3.31Å; S265-C283 WeakPolarHBondContact OG-CB 3.46Å; S265-H284 PolarHBondContact OG-O 3.5Å; S265-E302 VanDerWaalsContact CB-OE2 3.22Å; S265-E302 WeakPolarHBondContact CB-OE2 3.36Å; S265-E302 PolarHBondContact OG-OE2 2.62Å |
| 266 | L | 98.3 | Very high | 97.6 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 69.6 | 175.8 | -60.5 | 155 | 0 | 0 | 0 | 108.7 | L30 I239 L240 C283 H284 | L30-L266 HydrophobicContact CB-CD1 4.18Å; L30-L266 HydrophobicContact CD1-CD1 4.08Å; L30-L266 HydrophobicContact CD1-CG 3.76Å; L30-L266 HydrophobicContact CG-CD1 4.37Å; L30-L266 HydrophobicContact CG-CG 4.29Å; I239-L266 HydrophobicContact CD1-CB 4.24Å; I239-L266 HydrophobicContact CG1-CB 3.73Å; I239-L266 HydrophobicContact CG1-CD2 4.25Å; L240-L266 HydrophobicContact CD2-CD2 4.03Å; L266-C283 WeakPolarHBondContact O-CA 3.38Å; L266-H284 HydrophobicContact CB-CB 3.98Å; L266-H284 WeakPolarHBondContact CB-O 3.36Å; L266-H284 HydrophobicContact CD1-CB 4.3Å; L266-H284 PolarHBondContact O-N 3.12Å |
| 267 | C | 98.6 | Very high | 97.5 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 3% | 0.027 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 136.9 | 179.8 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | I239 L263 S265 L281 C283 | I239-C267 WeakPolarHBondContact CG1-O 3.37Å; L263-C267 HydrophobicContact CD1-CB 3.79Å; S265-C267 VanDerWaalsContact C-N 3.32Å; S265-C267 PolarHBondContact O-N 3.17Å; C267-L281 HydrophobicContact CB-CB 4.05Å; C267-L281 HydrophobicContact CB-CD2 3.67Å; C267-C283 VanDerWaalsContact CA-SG 3.51Å; C267-C283 HydrophobicContact CB-CB 3.94Å; C267-C283 WeakPolarHBondContact CB-SG 3.32Å; C267-C283 WeakPolarHBondContact SG-CB 3.33Å; C267-C283 CovalentContact SG-SG 2.05Å; C267-C283 PolarHBondContact SG-SG 2.98Å |
| 268 | D | 98.8 | Very high | 97.6 | Very high | 8 Ų | 8 | 39.1 Ų | 39.1 | 4% | 0.043 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | -99 | -165.2 | -153.3 | 30.5 | 0 | 0 | 0 | 108.5 | N223 G224 A237 G282 H284 S331 | N223-D268 PolarHBondContact ND2-OD1 3.01Å; N223-D268 PolarHBondContact OD1-OD1 3.18Å; G224-D268 WeakPolarHBondContact CA-O 3.28Å; G224-D268 PolarHBondContact N-O 2.89Å; A237-D268 WeakPolarHBondContact CB-O 3.44Å; D268-G282 PolarHBondContact N-O 3.32Å; D268-H284 VanDerWaalsContact CG-NE2 3.28Å; D268-H284 IonicContact OD1-NE2 2.67Å; D268-H284 IonicContact OD2-CD2 3.18Å; D268-H284 IonicContact OD2-CE1 3.66Å; D268-H284 IonicContact OD2-NE2 2.81Å; D268-H284 PolarHBondContact OD2-NE2 3.09Å; D268-S331 WeakPolarHBondContact CB-O 3.36Å; D268-S331 WeakPolarHBondContact OD2-CA 3.32Å; D268-S331 WeakPolarHBondContact OD2-CB 3.43Å |
| 269 | N | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 149.7 | 178.3 | -64.5 | -31 | 0 | 0 | 0 | 112.9 | E54 N223 L281 S331 V332 | E54-N269 PolarHBondContact O-ND2 2.95Å; E54-N269 PolarHBondContact OE1-ND2 3.48Å; N223-N269 PolarHBondContact OD1-OD1 2.92Å; N269-L281 WeakPolarHBondContact O-CA 3.46Å; N269-S331 WeakPolarHBondContact CB-O 2.83Å; N269-S331 PolarHBondContact N-O 3.37Å; N269-V332 HydrophobicContact CB-CB 3.83Å; N269-V332 HydrophobicContact CB-CG2 3.99Å |
| 270 | V | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 118.6 | -178.9 | -172.7 | 0 | 0 | 0 | 0 | 109.3 | N226 A237 V244 L279 L281 | N226-V270 HydrophobicContact CB-CB 4.35Å; N226-V270 HydrophobicContact CB-CG1 4.32Å; N226-V270 VanDerWaalsContact CB-O 3.28Å; N226-V270 WeakPolarHBondContact CB-O 3.4Å; N226-V270 PolarHBondContact ND2-O 3.28Å; A237-V270 HydrophobicContact CB-CG2 3.85Å; V244-V270 HydrophobicContact CG2-CG2 4.41Å; V270-L279 HydrophobicContact CG1-CB 4.32Å; V270-L279 HydrophobicContact CG1-CD2 3.8Å; V270-L279 HydrophobicContact CG1-CG 4.02Å; V270-L281 HydrophobicContact CG2-CD2 3.8Å; V270-L281 HydrophobicContact CG2-CG 4.45Å |
| 271 | E | 98.9 | Very high | 97.8 | Very high | 10 Ų | 10 | 30 Ų | 30 | 5% | 0.047 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 147.6 | 171.4 | -79.7 | -79.8 | 108.3 | 0 | 0 | 110 | I56 T57 N226 L279 W280 V332 A333 T334 | I56-E271 WeakPolarHBondContact O-CG 3.28Å; T57-E271 WeakPolarHBondContact CA-OE2 3.2Å; T57-E271 PolarHBondContact OG1-OE1 3.3Å; N226-E271 PolarHBondContact ND2-OE1 2.99Å; E271-L279 CarbonylContact O-C 3.59Å; E271-L279 WeakPolarHBondContact O-CA 2.96Å; E271-W280 HydrophobicContact CB-CB 4.45Å; E271-W280 PolarHBondContact N-O 3.19Å; E271-W280 PolarHBondContact O-N 3.49Å; E271-V332 HydrophobicContact CG-CG2 3.72Å; E271-A333 WeakPolarHBondContact CB-O 3.47Å; E271-T334 WeakPolarHBondContact OE2-CB 3.47Å; E271-T334 PolarHBondContact OE2-OG1 3.23Å |
| 272 | V | 98.8 | Very high | 97.8 | Very high | 17 Ų | 17 | 28.9 Ų | 28.9 | 10% | 0.103 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 120.7 | -176.7 | -179.9 | 0 | 0 | 0 | 0 | 108.6 | N226 P229 Y235 P274 L279 | N226-V272 HydrophobicContact CB-CG2 3.82Å; P229-V272 HydrophobicContact CG-CG1 4.16Å; Y235-V272 HydrophobicContact CD2-CG2 3.81Å; Y235-V272 HydrophobicContact CE2-CG2 3.97Å; V272-P274 WeakPolarHBondContact O-CD 3.47Å; V272-L279 HydrophobicContact CG2-CG 4.42Å |
| 273 | D | 98.1 | Very high | 97.9 | Very high | 23 Ų | 23 | 24.3 Ų | 24.3 | 12% | 0.123 | 15% | 0.147 | C | C | . | . | trans | -66.5 | 117.2 | 172.5 | 173 | 6.5 | 0 | 0 | 0 | 109.1 | E275 T276 G277 D278 V335 | D273-E275 PolarHBondContact O-N 3.4Å; D273-E275 PolarHBondContact OD1-N 2.9Å; D273-T276 WeakPolarHBondContact CB-OG1 3.43Å; D273-T276 VanDerWaalsContact CG-OG1 3.23Å; D273-T276 PolarHBondContact O-N 2.81Å; D273-T276 WeakPolarHBondContact OD2-CB 3.49Å; D273-T276 VanDerWaalsContact OD2-CG2 3.31Å; D273-T276 WeakPolarHBondContact OD2-CG2 3.44Å; D273-T276 PolarHBondContact OD2-OG1 2.85Å; D273-G277 VanDerWaalsContact O-CA 3.27Å; D273-G277 WeakPolarHBondContact O-CA 3.21Å; D273-G277 PolarHBondContact O-N 3.27Å; D273-D278 PolarHBondContact N-O 2.8Å; D273-V335 HydrophobicContact CB-CG2 4.39Å | ||
| 274 | P | 96.1 | Very high | 98 | Very high | 98 Ų | 98 | 23.5 Ų | 23.5 | 64% | 0.636 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -22.4 | -176.4 | 27.8 | -35.8 | 0 | 0 | 0 | 113.3 | V272 | V272-P274 WeakPolarHBondContact O-CD 3.47Š|
| 275 | E | 95.3 | Very high | 98.2 | Very high | 178 Ų | 178 | 22 Ų | 22 | 83% | 0.832 | 12% | 0.124 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -42.3 | -179.2 | -63.8 | -169.9 | 168.7 | 0 | 0 | 112.2 | D273 | D273-E275 PolarHBondContact O-N 3.4Å; D273-E275 PolarHBondContact OD1-N 2.9Å |
| 276 | T | 97.2 | Very high | 98.1 | Very high | 75 Ų | 75 | 22.3 Ų | 22.3 | 46% | 0.46 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -23.3 | -172.7 | 63.9 | 0 | 0 | 0 | 0 | 113.6 | D273 D278 | D273-T276 WeakPolarHBondContact CB-OG1 3.43Å; D273-T276 VanDerWaalsContact CG-OG1 3.23Å; D273-T276 PolarHBondContact O-N 2.81Å; D273-T276 WeakPolarHBondContact OD2-CB 3.49Å; D273-T276 VanDerWaalsContact OD2-CG2 3.31Å; D273-T276 WeakPolarHBondContact OD2-CG2 3.44Å; D273-T276 PolarHBondContact OD2-OG1 2.85Å; T276-D278 PolarHBondContact O-N 2.93Å; T276-D278 VanDerWaalsContact OG1-CB 3.29Å; T276-D278 WeakPolarHBondContact OG1-CB 3.27Å; T276-D278 VanDerWaalsContact OG1-CG 3.26Å; T276-D278 PolarHBondContact OG1-N 3.19Å; T276-D278 VanDerWaalsContact OG1-N 3.15Å |
| 277 | G | 98.3 | Very high | 98 | Very high | 18 Ų | 18 | 22.4 Ų | 22.4 | 19% | 0.186 | 13% | 0.127 | C | C | . | . | trans | 71.7 | 11.8 | -167.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D273 | D273-G277 VanDerWaalsContact O-CA 3.27Å; D273-G277 WeakPolarHBondContact O-CA 3.21Å; D273-G277 PolarHBondContact O-N 3.27Å | ||
| 278 | D | 98.8 | Very high | 97.8 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 3% | 0.032 | 15% | 0.15 | C | C | . | . | trans | -70.2 | 142.6 | 174.4 | -70.8 | -11.4 | 0 | 0 | 0 | 110.4 | D273 T276 R305 I306 Q307 | D273-D278 PolarHBondContact N-O 2.8Å; T276-D278 PolarHBondContact O-N 2.93Å; T276-D278 VanDerWaalsContact OG1-CB 3.29Å; T276-D278 WeakPolarHBondContact OG1-CB 3.27Å; T276-D278 VanDerWaalsContact OG1-CG 3.26Å; T276-D278 PolarHBondContact OG1-N 3.19Å; T276-D278 VanDerWaalsContact OG1-N 3.15Å; D278-R305 HydrophobicContact CB-CG 4.46Å; D278-R305 IonicContact OD2-CZ 2.77Å; D278-R305 IonicContact OD2-NE 3.31Å; D278-R305 PolarHBondContact OD2-NE 3.11Å; D278-R305 IonicContact OD2-NH2 2.78Å; D278-R305 PolarHBondContact OD2-NH2 3.16Å; D278-I306 WeakPolarHBondContact CA-O 3.21Å; D278-I306 WeakPolarHBondContact CB-O 3.38Å; D278-Q307 VanDerWaalsContact OD1-CA 3.27Å; D278-Q307 WeakPolarHBondContact OD1-CA 3.41Å; D278-Q307 WeakPolarHBondContact OD1-CB 3.35Å; D278-Q307 WeakPolarHBondContact OD2-CG 3.24Å; D278-Q307 PolarHBondContact OD2-NE2 3.45Å | ||
| 279 | L | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 138.5 | 176.5 | -72.4 | 64.3 | 0 | 0 | 0 | 109.5 | Y235 V244 V270 E271 V272 L281 R305 I306 I309 | Y235-L279 HydrophobicContact CD1-CD2 4.01Å; Y235-L279 HydrophobicContact CD2-CD1 4.2Å; Y235-L279 HydrophobicContact CD2-CD2 4.08Å; Y235-L279 HydrophobicContact CD2-CG 4.19Å; Y235-L279 HydrophobicContact CE1-CD1 4.33Å; Y235-L279 HydrophobicContact CE2-CD1 3.92Å; Y235-L279 HydrophobicContact CE2-CG 4.39Å; Y235-L279 HydrophobicContact CG-CD2 3.77Å; Y235-L279 HydrophobicContact CG-CG 4.39Å; V244-L279 HydrophobicContact CG1-CD2 3.89Å; V270-L279 HydrophobicContact CG1-CB 4.32Å; V270-L279 HydrophobicContact CG1-CD2 3.8Å; V270-L279 HydrophobicContact CG1-CG 4.02Å; E271-L279 CarbonylContact O-C 3.59Å; E271-L279 WeakPolarHBondContact O-CA 2.96Å; V272-L279 HydrophobicContact CG2-CG 4.42Å; L279-L281 HydrophobicContact CB-CD1 3.99Å; L279-R305 CarbonylContact O-C 3.4Å; L279-R305 VanDerWaalsContact O-CA 3.26Å; L279-R305 WeakPolarHBondContact O-CA 3.46Å; L279-I306 HydrophobicContact CB-CB 4.21Å; L279-I306 HydrophobicContact CB-CD1 4.37Å; L279-I306 HydrophobicContact CD2-CD1 4.34Å; L279-I306 PolarHBondContact N-O 3Å; L279-I306 PolarHBondContact O-N 3.25Å; L279-I309 HydrophobicContact CD1-CB 4.33Å; L279-I309 HydrophobicContact CD1-CD1 4.24Å; L279-I309 HydrophobicContact CD1-CG2 4.01Å; L279-I309 HydrophobicContact CD2-CD1 3.65Å |
| 280 | W | 98.9 | Very high | 97.4 | Very high | 6 Ų | 6 | 29.6 Ų | 29.6 | 2% | 0.023 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 128.7 | 173.7 | -68 | 85.9 | 0 | 0 | 0 | 108.9 | E271 V303 R305 V319 A333 V335 L340 L354 | E271-W280 HydrophobicContact CB-CB 4.45Å; E271-W280 PolarHBondContact N-O 3.19Å; E271-W280 PolarHBondContact O-N 3.49Å; W280-V303 HydrophobicContact CE3-CG1 4.03Å; W280-V303 HydrophobicContact CZ3-CG1 4.39Å; W280-R305 HydrophobicContact CD2-CB 4.25Å; W280-R305 HydrophobicContact CD2-CG 4.17Å; W280-R305 HydrophobicContact CE3-CB 4.1Å; W280-R305 HydrophobicContact CE3-CG 4.47Å; W280-R305 HydrophobicContact CH2-CB 4.22Å; W280-R305 HydrophobicContact CH2-CG 4.19Å; W280-R305 HydrophobicContact CZ2-CB 4.34Å; W280-R305 VanDerWaalsContact CZ2-CD 3.44Å; W280-R305 HydrophobicContact CZ2-CG 3.84Å; W280-R305 HydrophobicContact CZ3-CB 4.1Å; W280-R305 HydrophobicContact CZ3-CG 4.49Å; W280-V319 HydrophobicContact CH2-CG1 4.49Å; W280-V319 HydrophobicContact CH2-CG2 4.23Å; W280-V319 HydrophobicContact CZ3-CB 4.19Å; W280-V319 HydrophobicContact CZ3-CG1 4.04Å; W280-V319 HydrophobicContact CZ3-CG2 3.78Å; W280-A333 CarbonylContact C-O 3.58Å; W280-A333 WeakPolarHBondContact CB-O 3.35Å; W280-V335 HydrophobicContact CD2-CG1 3.68Å; W280-V335 HydrophobicContact CD2-CG2 4.29Å; W280-V335 HydrophobicContact CE3-CG1 3.8Å; W280-V335 HydrophobicContact CG-CG1 4.38Å; W280-V335 HydrophobicContact CG-CG2 4.44Å; W280-V335 HydrophobicContact CH2-CG1 3.68Å; W280-V335 HydrophobicContact CZ2-CB 4.38Å; W280-V335 HydrophobicContact CZ2-CG1 3.57Å; W280-V335 HydrophobicContact CZ2-CG2 4.02Å; W280-V335 HydrophobicContact CZ3-CG1 3.79Å; W280-L340 HydrophobicContact CE3-CD1 3.86Å; W280-L340 HydrophobicContact CZ3-CD1 3.88Å; W280-L354 HydrophobicContact CH2-CD1 4.41Å; W280-L354 HydrophobicContact CH2-CD2 4.05Å; W280-L354 HydrophobicContact CZ3-CD2 4.37Å |
| 281 | L | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 134.1 | -173.1 | -58.7 | 97.7 | 0 | 0 | 0 | 110.4 | V244 L263 C267 N269 V270 L279 V303 I304 I306 | V244-L281 HydrophobicContact CG2-CD2 3.42Å; V244-L281 VanDerWaalsContact CG2-CD2 3.42Å; L263-L281 HydrophobicContact CD1-CD2 4.11Å; C267-L281 HydrophobicContact CB-CB 4.05Å; C267-L281 HydrophobicContact CB-CD2 3.67Å; N269-L281 WeakPolarHBondContact O-CA 3.46Å; V270-L281 HydrophobicContact CG2-CD2 3.8Å; V270-L281 HydrophobicContact CG2-CG 4.45Å; L279-L281 HydrophobicContact CB-CD1 3.99Å; L281-V303 VanDerWaalsContact O-CA 3.31Å; L281-V303 WeakPolarHBondContact O-CA 3.22Å; L281-I304 PolarHBondContact N-O 3.28Å; L281-I304 PolarHBondContact O-N 2.98Å; L281-I306 HydrophobicContact CD1-CD1 3.71Å; L281-I306 HydrophobicContact CD1-CG1 3.96Å |
| 282 | G | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 137.6 | 158.8 | 0 | 0 | 0 | 0 | 0 | 109 | D268 S331 | D268-G282 PolarHBondContact N-O 3.32Å; G282-S331 WeakPolarHBondContact CA-O 3.46Å |
| 283 | C | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 149.3 | -175.8 | -43 | 0 | 0 | 0 | 0 | 111.9 | S265 L266 C267 E302 S330 | S265-C283 VanDerWaalsContact OG-CB 3.31Å; S265-C283 WeakPolarHBondContact OG-CB 3.46Å; L266-C283 WeakPolarHBondContact O-CA 3.38Å; C267-C283 VanDerWaalsContact CA-SG 3.51Å; C267-C283 HydrophobicContact CB-CB 3.94Å; C267-C283 WeakPolarHBondContact CB-SG 3.32Å; C267-C283 WeakPolarHBondContact SG-CB 3.33Å; C267-C283 CovalentContact SG-SG 2.05Å; C267-C283 PolarHBondContact SG-SG 2.98Å; C283-E302 HydrophobicContact CB-CB 4.18Å; C283-E302 HydrophobicContact CB-CG 4.31Å; C283-E302 PolarHBondContact N-O 3.49Å; C283-E302 PolarHBondContact O-N 3.35Å; C283-S330 CarbonylContact C-O 3.51Å; C283-S330 PolarHBondContact N-O 3.45Å; C283-S330 PolarHBondContact O-OG 2.94Å |
| 284 | H | 98.1 | Very high | 96.4 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 130.6 | 175.6 | -55.3 | -71.5 | 0 | 0 | 0 | 110.4 | S265 L266 D268 L290 S330 | S265-H284 PolarHBondContact OG-O 3.5Å; L266-H284 HydrophobicContact CB-CB 3.98Å; L266-H284 WeakPolarHBondContact CB-O 3.36Å; L266-H284 HydrophobicContact CD1-CB 4.3Å; L266-H284 PolarHBondContact O-N 3.12Å; D268-H284 VanDerWaalsContact CG-NE2 3.28Å; D268-H284 IonicContact OD1-NE2 2.67Å; D268-H284 IonicContact OD2-CD2 3.18Å; D268-H284 IonicContact OD2-CE1 3.66Å; D268-H284 IonicContact OD2-NE2 2.81Å; D268-H284 PolarHBondContact OD2-NE2 3.09Å; H284-L290 HydrophobicContact CB-CD2 4.12Å; H284-L290 VanDerWaalsContact CG-CD2 3.5Å; H284-L290 WeakPolarHBondContact ND1-CD2 3.4Å; H284-S330 PolarHBondContact CE1-O 3.3Å |
| 285 | I | 97.2 | Very high | 96.2 | Very high | 11 Ų | 11 | 42.4 Ų | 42.4 | 6% | 0.056 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -72.6 | -41 | -179.8 | -69.6 | 155 | 0 | 0 | 0 | 111.1 | R33 V35 S301 E302 D322 | R33-I285 WeakPolarHBondContact CD-O 3.36Å; R33-I285 HydrophobicContact CG-CG2 4.16Å; V35-I285 HydrophobicContact CG1-CG2 4.34Å; V35-I285 HydrophobicContact CG2-CB 4.48Å; V35-I285 HydrophobicContact CG2-CD1 3.22Å; V35-I285 HydrophobicContact CG2-CG1 3.6Å; V35-I285 HydrophobicContact CG2-CG2 4.04Å; I285-S301 WeakPolarHBondContact CD1-O 3.46Å; I285-E302 HydrophobicContact CD1-CB 4.42Å; I285-E302 HydrophobicContact CG1-CB 3.98Å; I285-D322 WeakPolarHBondContact CD1-O 3.46Å |
| 286 | N | 96.4 | Very high | 96.2 | Very high | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.043 | 22% | 0.219 | C | C | . | . | trans | -146.9 | 112 | -169.3 | -173.8 | -45.8 | 0 | 0 | 0 | 109.9 | L30 I31 R33 K288 K289 L290 | L30-N286 PolarHBondContact O-ND2 2.96Å; I31-N286 PolarHBondContact O-ND2 2.65Å; R33-N286 PolarHBondContact O-ND2 3.34Å; N286-K288 PolarHBondContact O-N 3.38Å; N286-K288 VanDerWaalsContact OD1-CB 3.28Å; N286-K288 WeakPolarHBondContact OD1-CB 3.16Å; N286-K288 PolarHBondContact OD1-N 3.28Å; N286-K289 HydrophobicContact CB-CB 4.38Å; N286-K289 HydrophobicContact CB-CD 4.43Å; N286-K289 HydrophobicContact CB-CG 4.16Å; N286-K289 PolarHBondContact O-N 3.45Å; N286-K289 PolarHBondContact OD1-N 3.13Å; N286-L290 PolarHBondContact O-N 3.25Å | ||
| 287 | S | 94.8 | Very high | 96.1 | Very high | 5 Ų | 5 | 43 Ų | 43 | 4% | 0.035 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68 | -25.6 | -175.1 | 86.9 | 0 | 0 | 0 | 0 | 112.4 | H29 L290 F291 | H29-S287 VanDerWaalsContact CB-OG 3.24Å; H29-S287 WeakPolarHBondContact CB-OG 3.35Å; H29-S287 PolarHBondContact ND1-OG 2.83Å; H29-S287 VanDerWaalsContact ND1-OG 3.09Å; H29-S287 WeakPolarHBondContact O-CB 3.47Å; H29-S287 PolarHBondContact O-N 2.8Å; H29-S287 PolarHBondContact O-OG 2.61Å; S287-L290 PolarHBondContact O-N 3.49Å; S287-F291 WeakPolarHBondContact O-CB 3.47Å; S287-F291 WeakPolarHBondContact O-CD2 3.25Å; S287-F291 PolarHBondContact O-N 3.18Å |
| 288 | K | 94.3 | Very high | 96 | Very high | 119 Ų | 119 | 42.9 Ų | 42.9 | 52% | 0.517 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.7 | -48.1 | 177.3 | -177.3 | -168.7 | 168.2 | -166.9 | 0 | 110.1 | I31 N286 L290 L292 | I31-K288 HydrophobicContact CB-CB 4.08Å; I31-K288 HydrophobicContact CG2-CB 3.95Å; N286-K288 PolarHBondContact O-N 3.38Å; N286-K288 VanDerWaalsContact OD1-CB 3.28Å; N286-K288 WeakPolarHBondContact OD1-CB 3.16Å; N286-K288 PolarHBondContact OD1-N 3.28Å; K288-L290 PolarHBondContact O-N 2.94Å; K288-L292 HydrophobicContact CG-CD1 4.04Å; K288-L292 WeakPolarHBondContact O-CA 3.38Å; K288-L292 VanDerWaalsContact O-CB 3.28Å; K288-L292 WeakPolarHBondContact O-CB 3.24Å; K288-L292 PolarHBondContact O-N 3.28Å |
| 289 | K | 95.6 | Very high | 95.9 | Very high | 39 Ų | 39 | 42.8 Ų | 42.8 | 17% | 0.17 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.2 | -31.4 | 177.8 | -60.7 | -167.3 | -174 | -166 | 0 | 112 | N286 F293 D297 P298 P299 | N286-K289 HydrophobicContact CB-CB 4.38Å; N286-K289 HydrophobicContact CB-CD 4.43Å; N286-K289 HydrophobicContact CB-CG 4.16Å; N286-K289 PolarHBondContact O-N 3.45Å; N286-K289 PolarHBondContact OD1-N 3.13Å; K289-F293 WeakPolarHBondContact O-CA 3.44Å; K289-D297 WeakPolarHBondContact CE-OD1 3.37Å; K289-D297 VanDerWaalsContact CE-OD2 3.28Å; K289-D297 WeakPolarHBondContact CE-OD2 3.42Å; K289-D297 IonicContact NZ-OD1 2.96Å; K289-D297 PolarHBondContact NZ-OD1 3.09Å; K289-D297 IonicContact NZ-OD2 2.83Å; K289-P298 WeakPolarHBondContact CD-O 3.16Å; K289-P299 HydrophobicContact CB-CB 4.16Å |
| 290 | L | 94.8 | Very high | 95.9 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.8 | -57.8 | 176.7 | -174.3 | 71.1 | 0 | 0 | 0 | 112.3 | F75 H284 N286 S287 K288 P299 F346 | F75-L290 HydrophobicContact CE1-CD1 3.79Å; F75-L290 HydrophobicContact CE1-CD2 4.45Å; F75-L290 HydrophobicContact CE1-CG 3.71Å; F75-L290 HydrophobicContact CZ-CD2 4.38Å; F75-L290 HydrophobicContact CZ-CG 4.04Å; H284-L290 HydrophobicContact CB-CD2 4.12Å; H284-L290 VanDerWaalsContact CG-CD2 3.5Å; H284-L290 WeakPolarHBondContact ND1-CD2 3.4Å; N286-L290 PolarHBondContact O-N 3.25Å; S287-L290 PolarHBondContact O-N 3.49Å; K288-L290 PolarHBondContact O-N 2.94Å; L290-P299 HydrophobicContact CB-CB 4.29Å; L290-P299 HydrophobicContact CD1-CB 4.2Å; L290-P299 HydrophobicContact CD1-CG 4.28Å; L290-F346 HydrophobicContact CD1-CE1 4.12Å |
| 291 | F | 92.2 | Very high | 95.8 | Very high | 59 Ų | 59 | 42.8 Ų | 42.8 | 26% | 0.259 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -79.8 | -24.3 | -174.2 | -67.3 | -61.9 | 0 | 0 | 0 | 113.8 | F75 F221 S287 | F75-F291 AromaticContact CE2-CD1 3.91Å; F75-F291 HydrophobicContact CE2-CD1 3.91Å; F75-F291 AromaticContact CE2-CE1 3.93Å; F75-F291 HydrophobicContact CE2-CE1 3.93Å; F75-F291 AromaticContact CZ-CD1 3.63Å; F75-F291 HydrophobicContact CZ-CD1 3.63Å; F75-F291 AromaticContact CZ-CE1 3.64Å; F75-F291 HydrophobicContact CZ-CE1 3.64Å; F221-F291 HydrophobicContact CE1-CE1 4.39Å; F221-F291 AromaticContact CE1-CZ 3.75Å; F221-F291 HydrophobicContact CE1-CZ 3.75Å; F221-F291 HydrophobicContact CZ-CZ 4.45Å; S287-F291 WeakPolarHBondContact O-CB 3.47Å; S287-F291 WeakPolarHBondContact O-CD2 3.25Å; S287-F291 PolarHBondContact O-N 3.18Å |
| 292 | L | 92.4 | Very high | 95.8 | Very high | 121 Ų | 121 | 43 Ų | 43 | 63% | 0.634 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.8 | 60.4 | 173.7 | -55.9 | -180 | 0 | 0 | 0 | 109.1 | K288 D294 | K288-L292 HydrophobicContact CG-CD1 4.04Å; K288-L292 WeakPolarHBondContact O-CA 3.38Å; K288-L292 VanDerWaalsContact O-CB 3.28Å; K288-L292 WeakPolarHBondContact O-CB 3.24Å; K288-L292 PolarHBondContact O-N 3.28Å; L292-D294 PolarHBondContact O-N 3.36Å |
| 293 | F | 93.9 | Very high | 95.8 | Very high | 71 Ų | 71 | 43 Ų | 43 | 31% | 0.311 | 21% | 0.214 | S | C | . | . | trans | -51.4 | 121.4 | -176.3 | 176.1 | -105.3 | 0 | 0 | 0 | 112.1 | P76 K289 P295 P299 M328 F346 | P76-F293 HydrophobicContact CG-CD1 3.6Å; P76-F293 HydrophobicContact CG-CD2 4.48Å; P76-F293 HydrophobicContact CG-CE1 3.81Å; P76-F293 HydrophobicContact CG-CG 3.96Å; P76-F293 HydrophobicContact CG-CZ 4.35Å; K289-F293 WeakPolarHBondContact O-CA 3.44Å; F293-P295 HydrophobicContact CE1-CB 4.19Å; F293-P295 HydrophobicContact CE1-CG 4.46Å; F293-P295 HydrophobicContact CZ-CB 4.04Å; F293-P299 HydrophobicContact CD2-CG 4.43Å; F293-M328 HydrophobicContact CE2-SD 4.26Å; F293-F346 HydrophobicContact CD2-CE2 4.1Å; F293-F346 AromaticContact CD2-CZ 3.84Å; F293-F346 HydrophobicContact CD2-CZ 3.84Å; F293-F346 AromaticContact CE2-CE2 3.93Å; F293-F346 HydrophobicContact CE2-CE2 3.93Å; F293-F346 HydrophobicContact CE2-CZ 4.09Å | ||
| 294 | D | 94.2 | Very high | 95.8 | Very high | 73 Ų | 73 | 43.2 Ų | 43.2 | 39% | 0.39 | 22% | 0.215 | S | C | . | . | B | Isolated β-bridge | trans | -122.6 | 118.5 | 168.2 | -176.9 | -9.8 | 0 | 0 | 0 | 107.9 | L292 K296 D297 P298 | L292-D294 PolarHBondContact O-N 3.36Å; D294-K296 PolarHBondContact O-N 2.88Å; D294-K296 WeakPolarHBondContact OD1-CB 3.33Å; D294-K296 PolarHBondContact OD1-N 3.32Å; D294-D297 HydrophobicContact CB-CB 4.46Å; D294-D297 CarbonylContact O-C 3.55Å; D294-D297 PolarHBondContact O-N 3.42Å; D294-P298 WeakPolarHBondContact O-CA 3.45Å |
| 295 | P | 92.2 | Very high | 95.9 | Very high | 94 Ų | 94 | 46.1 Ų | 46.1 | 61% | 0.61 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -15.3 | 178 | 26.2 | -35.3 | 0 | 0 | 0 | 113.7 | F293 | F293-P295 HydrophobicContact CE1-CB 4.19Å; F293-P295 HydrophobicContact CE1-CG 4.46Å; F293-P295 HydrophobicContact CZ-CB 4.04Å |
| 296 | K | 95.1 | Very high | 96 | Very high | 191 Ų | 191 | 45.6 Ų | 45.6 | 83% | 0.83 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -16 | 174 | -61.9 | 177 | -179.5 | 174.8 | 0 | 113.5 | D294 | D294-K296 PolarHBondContact O-N 2.88Å; D294-K296 WeakPolarHBondContact OD1-CB 3.33Å; D294-K296 PolarHBondContact OD1-N 3.32Å |
| 297 | D | 95.2 | Very high | 96.1 | Very high | 76 Ų | 76 | 47.8 Ų | 47.8 | 41% | 0.406 | 23% | 0.233 | S | C | . | . | B | Isolated β-bridge | trans | -139.8 | 65.2 | 176.1 | -173.1 | 31.2 | 0 | 0 | 0 | 109.4 | K289 D294 | K289-D297 WeakPolarHBondContact CE-OD1 3.37Å; K289-D297 VanDerWaalsContact CE-OD2 3.28Å; K289-D297 WeakPolarHBondContact CE-OD2 3.42Å; K289-D297 IonicContact NZ-OD1 2.96Å; K289-D297 PolarHBondContact NZ-OD1 3.09Å; K289-D297 IonicContact NZ-OD2 2.83Å; D294-D297 HydrophobicContact CB-CB 4.46Å; D294-D297 CarbonylContact O-C 3.55Å; D294-D297 PolarHBondContact O-N 3.42Å |
| 298 | P | 96.3 | Very high | 96.2 | Very high | 15 Ų | 15 | 52.6 Ų | 52.6 | 10% | 0.097 | 26% | 0.259 | C | S | . | . | trans | -67.7 | 158.5 | -169.3 | 28.9 | -36.1 | 0 | 0 | 0 | 112.2 | K289 D294 M328 | K289-P298 WeakPolarHBondContact CD-O 3.16Å; D294-P298 WeakPolarHBondContact O-CA 3.45Å; P298-M328 HydrophobicContact CB-CE 3.93Å; P298-M328 HydrophobicContact CB-CG 3.97Å; P298-M328 HydrophobicContact CB-SD 3.74Å; P298-M328 HydrophobicContact CG-CE 4.22Å | ||
| 299 | P | 97.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | trans | -66.5 | 137.4 | 168.8 | 27.8 | -31.6 | 0 | 0 | 0 | 110 | K289 L290 F293 G324 M328 G329 F346 | K289-P299 HydrophobicContact CB-CB 4.16Å; L290-P299 HydrophobicContact CB-CB 4.29Å; L290-P299 HydrophobicContact CD1-CB 4.2Å; L290-P299 HydrophobicContact CD1-CG 4.28Å; F293-P299 HydrophobicContact CD2-CG 4.43Å; P299-G324 WeakPolarHBondContact O-CA 3.43Å; P299-M328 HydrophobicContact CG-CB 4.3Å; P299-M328 VanDerWaalsContact O-CA 3.22Å; P299-M328 WeakPolarHBondContact O-CA 3.3Å; P299-G329 PolarHBondContact O-N 3.49Å; P299-F346 HydrophobicContact CG-CE1 4.48Å; P299-F346 HydrophobicContact CG-CZ 3.88Å | ||
| 300 | G | 97.6 | Very high | 96.4 | Very high | 6 Ų | 6 | 48.9 Ų | 48.9 | 6% | 0.062 | 25% | 0.246 | C | C | . | . | trans | -79.1 | -175.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D322 G329 | G300-D322 CarbonylContact C-O 3.57Å; G300-D322 WeakPolarHBondContact CA-O 3.39Å; G300-G329 WeakPolarHBondContact O-CA 3.12Å; G300-G329 PolarHBondContact O-N 3.24Å | ||
| 301 | S | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 145 | 176.2 | -66.1 | 0 | 0 | 0 | 0 | 111.2 | I285 T321 D322 L327 S330 | I285-S301 WeakPolarHBondContact CD1-O 3.46Å; S301-T321 CarbonylContact O-C 3.49Å; S301-T321 VanDerWaalsContact O-CA 3.27Å; S301-T321 WeakPolarHBondContact O-CA 3.3Å; S301-D322 PolarHBondContact N-O 3.34Å; S301-D322 PolarHBondContact O-N 3.25Å; S301-L327 WeakPolarHBondContact CB-O 3.1Å; S301-L327 VanDerWaalsContact OG-C 3.24Å; S301-L327 PolarHBondContact OG-O 3.21Å; S301-S330 VanDerWaalsContact CA-OG 3.23Å; S301-S330 WeakPolarHBondContact CA-OG 3.29Å; S301-S330 WeakPolarHBondContact CB-OG 3.48Å; S301-S330 PolarHBondContact OG-N 3.15Å |
| 302 | E | 98.8 | Very high | 96.6 | Very high | 3 Ų | 3 | 56 Ų | 56 | 1% | 0.014 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 138.5 | 176.5 | 176.9 | 174.7 | -141.9 | 0 | 0 | 110.1 | R33 S265 C283 I285 I304 Q318 Y320 T321 S330 | R33-E302 IonicContact CZ-OE1 2.75Å; R33-E302 IonicContact CZ-OE2 2.76Å; R33-E302 VanDerWaalsContact CZ-OE2 3.31Å; R33-E302 IonicContact NH1-OE2 3.9Å; R33-E302 PolarHBondContact NH1-OE2 2.81Å; R33-E302 IonicContact NH2-OE1 3.6Å; R33-E302 PolarHBondContact NH2-OE1 2.99Å; R33-E302 IonicContact NH2-OE2 3.44Å; R33-E302 PolarHBondContact NH2-OE2 2.96Å; S265-E302 VanDerWaalsContact CB-OE2 3.22Å; S265-E302 WeakPolarHBondContact CB-OE2 3.36Å; S265-E302 PolarHBondContact OG-OE2 2.62Å; C283-E302 HydrophobicContact CB-CB 4.18Å; C283-E302 HydrophobicContact CB-CG 4.31Å; C283-E302 PolarHBondContact N-O 3.49Å; C283-E302 PolarHBondContact O-N 3.35Å; I285-E302 HydrophobicContact CD1-CB 4.42Å; I285-E302 HydrophobicContact CG1-CB 3.98Å; E302-I304 HydrophobicContact CG-CG1 4.18Å; E302-Q318 HydrophobicContact CG-CG 4.25Å; E302-Q318 PolarHBondContact OE1-NE2 3.32Å; E302-Y320 CarbonylContact C-O 3.57Å; E302-Y320 WeakPolarHBondContact CA-O 3.49Å; E302-T321 HydrophobicContact CB-CG2 4.23Å; E302-T321 HydrophobicContact CG-CG2 4.03Å; E302-S330 PolarHBondContact N-OG 3.18Å; E302-S330 PolarHBondContact O-OG 3.42Å |
| 303 | V | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 127.8 | 171.9 | 178.1 | 0 | 0 | 0 | 0 | 109.9 | W280 L281 Q318 V319 Y320 A333 L340 I342 | W280-V303 HydrophobicContact CE3-CG1 4.03Å; W280-V303 HydrophobicContact CZ3-CG1 4.39Å; L281-V303 VanDerWaalsContact O-CA 3.31Å; L281-V303 WeakPolarHBondContact O-CA 3.22Å; V303-Q318 CarbonylContact O-C 3.57Å; V303-V319 HydrophobicContact CG1-CB 4.29Å; V303-V319 PolarHBondContact O-N 3.47Å; V303-Y320 HydrophobicContact CG2-CD1 4.36Å; V303-Y320 PolarHBondContact N-O 2.96Å; V303-A333 HydrophobicContact CB-CB 4.24Å; V303-A333 HydrophobicContact CG1-CB 3.54Å; V303-A333 HydrophobicContact CG2-CB 3.72Å; V303-L340 HydrophobicContact CG1-CD1 4.35Å; V303-L340 HydrophobicContact CG1-CD2 4.35Å; V303-L340 HydrophobicContact CG2-CD2 4.44Å; V303-I342 HydrophobicContact CG2-CD1 3.73Å; V303-I342 HydrophobicContact CG2-CG1 3.96Å; V303-I342 HydrophobicContact CG2-CG2 3.99Å |
| 304 | I | 98.8 | Very high | 96.9 | Very high | 5 Ų | 5 | 56.3 Ų | 56.3 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.2 | 175.3 | -66.2 | -174.7 | 0 | 0 | 0 | 109.7 | L263 L281 E302 I306 V316 T317 | L263-I304 HydrophobicContact CB-CD1 4.48Å; L281-I304 PolarHBondContact N-O 3.28Å; L281-I304 PolarHBondContact O-N 2.98Å; E302-I304 HydrophobicContact CG-CG1 4.18Å; I304-I306 HydrophobicContact CG2-CG1 4.21Å; I304-V316 HydrophobicContact CG2-CG1 3.6Å; I304-T317 WeakPolarHBondContact CA-O 3.28Å |
| 305 | R | 98.8 | Very high | 97.1 | Very high | 64 Ų | 64 | 56.1 Ų | 56.1 | 24% | 0.242 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 135.2 | 167.5 | -178.1 | -169.3 | -177 | 169.5 | 4.4 | 109.7 | D278 L279 W280 Q307 V316 T317 V319 | D278-R305 HydrophobicContact CB-CG 4.46Å; D278-R305 IonicContact OD2-CZ 2.77Å; D278-R305 IonicContact OD2-NE 3.31Å; D278-R305 PolarHBondContact OD2-NE 3.11Å; D278-R305 IonicContact OD2-NH2 2.78Å; D278-R305 PolarHBondContact OD2-NH2 3.16Å; L279-R305 CarbonylContact O-C 3.4Å; L279-R305 VanDerWaalsContact O-CA 3.26Å; L279-R305 WeakPolarHBondContact O-CA 3.46Å; W280-R305 HydrophobicContact CD2-CB 4.25Å; W280-R305 HydrophobicContact CD2-CG 4.17Å; W280-R305 HydrophobicContact CE3-CB 4.1Å; W280-R305 HydrophobicContact CE3-CG 4.47Å; W280-R305 HydrophobicContact CH2-CB 4.22Å; W280-R305 HydrophobicContact CH2-CG 4.19Å; W280-R305 HydrophobicContact CZ2-CB 4.34Å; W280-R305 VanDerWaalsContact CZ2-CD 3.44Å; W280-R305 HydrophobicContact CZ2-CG 3.84Å; W280-R305 HydrophobicContact CZ3-CB 4.1Å; W280-R305 HydrophobicContact CZ3-CG 4.49Å; R305-Q307 HydrophobicContact CG-CG 4.16Å; R305-V316 WeakPolarHBondContact O-CA 3.5Å; R305-T317 PolarHBondContact N-O 2.95Å; R305-T317 PolarHBondContact O-N 3.49Å; R305-V319 HydrophobicContact CB-CG2 3.73Å |
| 306 | I | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 123.8 | 173 | -48.2 | 170.3 | 0 | 0 | 0 | 108.9 | V244 L263 D278 L279 L281 I304 I309 P314 V315 V316 | V244-I306 HydrophobicContact CG2-CD1 4.49Å; L263-I306 HydrophobicContact CD2-CD1 3.44Å; L263-I306 VanDerWaalsContact CD2-CD1 3.44Å; L263-I306 HydrophobicContact CD2-CG1 4.06Å; D278-I306 WeakPolarHBondContact CA-O 3.21Å; D278-I306 WeakPolarHBondContact CB-O 3.38Å; L279-I306 HydrophobicContact CB-CB 4.21Å; L279-I306 HydrophobicContact CB-CD1 4.37Å; L279-I306 HydrophobicContact CD2-CD1 4.34Å; L279-I306 PolarHBondContact N-O 3Å; L279-I306 PolarHBondContact O-N 3.25Å; L281-I306 HydrophobicContact CD1-CD1 3.71Å; L281-I306 HydrophobicContact CD1-CG1 3.96Å; I304-I306 HydrophobicContact CG2-CG1 4.21Å; I306-I309 HydrophobicContact CD1-CD1 4.33Å; I306-I309 HydrophobicContact CG2-CB 4.05Å; I306-I309 HydrophobicContact CG2-CD1 4.17Å; I306-I309 HydrophobicContact CG2-CG1 4.03Å; I306-P314 HydrophobicContact CG2-CB 4.39Å; I306-V315 WeakPolarHBondContact CA-O 3.24Å; I306-V316 HydrophobicContact CG2-CG2 4.43Å |
| 307 | Q | 98.6 | Very high | 97.5 | Very high | 54 Ų | 54 | 47.9 Ų | 47.9 | 25% | 0.252 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 146.8 | 177.9 | -44.8 | -169.1 | -106.9 | 0 | 0 | 111.7 | D278 R305 I309 P314 V315 | D278-Q307 VanDerWaalsContact OD1-CA 3.27Å; D278-Q307 WeakPolarHBondContact OD1-CA 3.41Å; D278-Q307 WeakPolarHBondContact OD1-CB 3.35Å; D278-Q307 WeakPolarHBondContact OD2-CG 3.24Å; D278-Q307 PolarHBondContact OD2-NE2 3.45Å; R305-Q307 HydrophobicContact CG-CG 4.16Å; Q307-I309 VanDerWaalsContact C-N 3.25Å; Q307-I309 PolarHBondContact O-N 3.01Å; Q307-P314 WeakPolarHBondContact O-CA 3.3Å; Q307-V315 HydrophobicContact CB-CB 4.23Å; Q307-V315 PolarHBondContact N-O 3.29Å; Q307-V315 PolarHBondContact O-N 2.9Å; Q307-V315 VanDerWaalsContact O-N 3.11Å |
| 308 | N | 97.4 | Very high | 97.6 | Very high | 107 Ų | 107 | 47.5 Ų | 47.5 | 57% | 0.572 | 25% | 0.253 | S | S | * | . | S | Bend | trans | 51.3 | 46.3 | 178.1 | -59.1 | -54 | 0 | 0 | 0 | 111.9 | L310 S311 | N308-L310 PolarHBondContact O-N 3.48Å; N308-S311 WeakPolarHBondContact O-CB 3.3Å; N308-S311 PolarHBondContact O-N 3.3Å; N308-S311 PolarHBondContact O-OG 3.41Å |
| 309 | I | 97.8 | Very high | 97.7 | Very high | 6 Ų | 6 | 47.6 Ų | 47.6 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -27.9 | -169.3 | -167.5 | 165.5 | 0 | 0 | 0 | 112.7 | Y235 V244 V246 K259 L279 I306 Q307 P314 | Y235-I309 HydrophobicContact CD1-CD1 4.38Å; Y235-I309 HydrophobicContact CE1-CD1 4.39Å; Y235-I309 HydrophobicContact CE1-CG2 3.78Å; V244-I309 HydrophobicContact CG1-CD1 4.3Å; V246-I309 HydrophobicContact CG2-CD1 3.65Å; V246-I309 HydrophobicContact CG2-CG1 3.86Å; K259-I309 WeakPolarHBondContact CE-O 3.5Å; K259-I309 PolarHBondContact NZ-O 3.18Å; L279-I309 HydrophobicContact CD1-CB 4.33Å; L279-I309 HydrophobicContact CD1-CD1 4.24Å; L279-I309 HydrophobicContact CD1-CG2 4.01Å; L279-I309 HydrophobicContact CD2-CD1 3.65Å; I306-I309 HydrophobicContact CD1-CD1 4.33Å; I306-I309 HydrophobicContact CG2-CB 4.05Å; I306-I309 HydrophobicContact CG2-CD1 4.17Å; I306-I309 HydrophobicContact CG2-CG1 4.03Å; Q307-I309 VanDerWaalsContact C-N 3.25Å; Q307-I309 PolarHBondContact O-N 3.01Å; I309-P314 WeakPolarHBondContact O-CG 3.47Å |
| 310 | L | 96.6 | Very high | 97.8 | Very high | 73 Ų | 73 | 47.4 Ų | 47.4 | 38% | 0.382 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -18.2 | 179.1 | -64.3 | 173.3 | 0 | 0 | 0 | 114.8 | Y233 V246 K259 N308 | Y233-L310 HydrophobicContact CD1-CD2 4.08Å; Y233-L310 HydrophobicContact CD2-CD1 3.87Å; Y233-L310 HydrophobicContact CD2-CD2 4.45Å; Y233-L310 HydrophobicContact CE1-CD1 4.43Å; Y233-L310 HydrophobicContact CE1-CD2 3.95Å; Y233-L310 HydrophobicContact CE2-CD1 3.42Å; Y233-L310 VanDerWaalsContact CE2-CD1 3.42Å; Y233-L310 HydrophobicContact CE2-CD2 4.33Å; Y233-L310 HydrophobicContact CG-CD2 4.32Å; V246-L310 HydrophobicContact CG1-CD2 3.82Å; K259-L310 PolarHBondContact NZ-O 3.41Å; N308-L310 PolarHBondContact O-N 3.48Å |
| 311 | S | 96.4 | Very high | 97.9 | Very high | 45 Ų | 45 | 47.1 Ų | 47.1 | 32% | 0.315 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -67.2 | 167.4 | -179.2 | 69.5 | 0 | 0 | 0 | 0 | 113.1 | K259 N308 E313 P314 | K259-S311 PolarHBondContact NZ-O 2.84Å; N308-S311 WeakPolarHBondContact O-CB 3.3Å; N308-S311 PolarHBondContact O-N 3.3Å; N308-S311 PolarHBondContact O-OG 3.41Å; S311-E313 VanDerWaalsContact C-N 3.28Å; S311-P314 WeakPolarHBondContact O-CD 3.18Å; S311-P314 VanDerWaalsContact O-CG 3.27Å; S311-P314 WeakPolarHBondContact O-CG 3.13Å |
| 312 | D | 94.3 | Very high | 97.8 | Very high | 169 Ų | 169 | 47.1 Ų | 47.1 | 90% | 0.904 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -69.2 | -28.4 | 174.9 | -66.1 | -31.1 | 0 | 0 | 0 | 112.2 | ||
| 313 | E | 95.3 | Very high | 97.7 | Very high | 172 Ų | 172 | 49.9 Ų | 49.9 | 80% | 0.804 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -125.9 | 73.2 | 178.9 | -62.8 | -175.4 | 173.3 | 0 | 0 | 112.2 | S311 | S311-E313 VanDerWaalsContact C-N 3.28Š|
| 314 | P | 97.2 | Very high | 97.6 | Very high | 26 Ų | 26 | 49.9 Ų | 49.9 | 17% | 0.169 | 26% | 0.264 | C | S | . | . | trans | -67 | 145.2 | 176.6 | -28.1 | 43.7 | 0 | 0 | 0 | 111.9 | M261 I306 Q307 I309 S311 | M261-P314 HydrophobicContact CE-CB 3.83Å; M261-P314 HydrophobicContact CE-CG 3.4Å; M261-P314 VanDerWaalsContact CE-CG 3.4Å; M261-P314 HydrophobicContact SD-CB 4.48Å; I306-P314 HydrophobicContact CG2-CB 4.39Å; Q307-P314 WeakPolarHBondContact O-CA 3.3Å; I309-P314 WeakPolarHBondContact O-CG 3.47Å; S311-P314 WeakPolarHBondContact O-CD 3.18Å; S311-P314 VanDerWaalsContact O-CG 3.27Å; S311-P314 WeakPolarHBondContact O-CG 3.13Å | ||
| 315 | V | 98.3 | Very high | 97.4 | Very high | 68 Ų | 68 | 55.8 Ų | 55.8 | 41% | 0.412 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 115.5 | -178.9 | -178.5 | 0 | 0 | 0 | 0 | 109 | I306 Q307 | I306-V315 WeakPolarHBondContact CA-O 3.24Å; Q307-V315 HydrophobicContact CB-CB 4.23Å; Q307-V315 PolarHBondContact N-O 3.29Å; Q307-V315 PolarHBondContact O-N 2.9Å; Q307-V315 VanDerWaalsContact O-N 3.11Å |
| 316 | V | 98.2 | Very high | 97.2 | Very high | 62 Ų | 62 | 55.8 Ų | 55.8 | 38% | 0.376 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 120.2 | 175.6 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | I304 R305 I306 | I304-V316 HydrophobicContact CG2-CG1 3.6Å; R305-V316 WeakPolarHBondContact O-CA 3.5Å; I306-V316 HydrophobicContact CG2-CG2 4.43Å |
| 317 | T | 98.3 | Very high | 97.2 | Very high | 50 Ų | 50 | 55.8 Ų | 55.8 | 31% | 0.307 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 122.9 | -178.6 | -57.1 | 0 | 0 | 0 | 0 | 110.2 | I304 R305 V319 | I304-T317 WeakPolarHBondContact CA-O 3.28Å; R305-T317 PolarHBondContact N-O 2.95Å; R305-T317 PolarHBondContact O-N 3.49Å; T317-V319 HydrophobicContact CG2-CG2 4.18Å; T317-V319 PolarHBondContact O-N 3.45Å |
| 318 | Q | 98.1 | Very high | 97.1 | Very high | 68 Ų | 68 | 55 Ų | 55 | 32% | 0.318 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 110.5 | 164.5 | -175.5 | -174.5 | 77.6 | 0 | 0 | 108.2 | K38 E302 V303 T321 | K38-Q318 PolarHBondContact NZ-O 2.92Å; E302-Q318 HydrophobicContact CG-CG 4.25Å; E302-Q318 PolarHBondContact OE1-NE2 3.32Å; V303-Q318 CarbonylContact O-C 3.57Å; Q318-T321 HydrophobicContact CG-CG2 3.66Å |
| 319 | V | 98.6 | Very high | 97.1 | Very high | 17 Ų | 17 | 49.9 Ų | 49.9 | 10% | 0.103 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -43.7 | -172.1 | -179.3 | 0 | 0 | 0 | 0 | 111.4 | L40 W280 V303 R305 T317 L340 L354 | L40-V319 HydrophobicContact CD1-CG1 4.24Å; W280-V319 HydrophobicContact CH2-CG1 4.49Å; W280-V319 HydrophobicContact CH2-CG2 4.23Å; W280-V319 HydrophobicContact CZ3-CB 4.19Å; W280-V319 HydrophobicContact CZ3-CG1 4.04Å; W280-V319 HydrophobicContact CZ3-CG2 3.78Å; V303-V319 HydrophobicContact CG1-CB 4.29Å; V303-V319 PolarHBondContact O-N 3.47Å; R305-V319 HydrophobicContact CB-CG2 3.73Å; T317-V319 HydrophobicContact CG2-CG2 4.18Å; T317-V319 PolarHBondContact O-N 3.45Å; V319-L340 HydrophobicContact CG1-CD2 4.36Å; V319-L354 HydrophobicContact CG1-CD2 4.1Å |
| 320 | Y | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 142.3 | -178.2 | 176 | -90.2 | 0 | 0 | 0 | 110.3 | K38 H39 L40 E302 V303 D322 I342 L350 | K38-Y320 WeakPolarHBondContact O-CA 3.42Å; H39-Y320 HydrophobicContact CB-CE2 4.47Å; H39-Y320 AromaticContact CD2-CE2 3.82Å; L40-Y320 HydrophobicContact CG-CD2 4.31Å; E302-Y320 CarbonylContact C-O 3.57Å; E302-Y320 WeakPolarHBondContact CA-O 3.49Å; V303-Y320 HydrophobicContact CG2-CD1 4.36Å; V303-Y320 PolarHBondContact N-O 2.96Å; Y320-D322 HydrophobicContact CE1-CB 3.74Å; Y320-D322 WeakPolarHBondContact OH-CB 3.14Å; Y320-I342 HydrophobicContact CD1-CD1 3.6Å; Y320-I342 HydrophobicContact CD2-CD1 4.19Å; Y320-I342 HydrophobicContact CE1-CD1 3.93Å; Y320-I342 HydrophobicContact CE2-CD1 4.47Å; Y320-I342 HydrophobicContact CG-CD1 3.73Å; Y320-L350 HydrophobicContact CE2-CD2 4.11Å; Y320-L350 WeakPolarHBondContact OH-CD2 3.41Å |
| 321 | T | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 141.5 | 166.6 | 49.2 | 0 | 0 | 0 | 0 | 111.6 | V35 G36 K38 H39 S301 E302 Q318 | V35-T321 HydrophobicContact CB-CG2 4.38Å; V35-T321 HydrophobicContact CG2-CG2 3.87Å; G36-T321 WeakPolarHBondContact O-CB 3.27Å; G36-T321 PolarHBondContact O-OG1 3.25Å; K38-T321 CarbonylContact C-O 3.55Å; K38-T321 WeakPolarHBondContact CB-OG1 3.36Å; K38-T321 PolarHBondContact N-O 2.75Å; K38-T321 PolarHBondContact N-OG1 2.91Å; K38-T321 PolarHBondContact O-N 2.83Å; H39-T321 PolarHBondContact CD2-O 2.92Å; H39-T321 VanDerWaalsContact CD2-O 3.25Å; S301-T321 CarbonylContact O-C 3.49Å; S301-T321 VanDerWaalsContact O-CA 3.27Å; S301-T321 WeakPolarHBondContact O-CA 3.3Å; E302-T321 HydrophobicContact CB-CG2 4.23Å; E302-T321 HydrophobicContact CG-CG2 4.03Å; Q318-T321 HydrophobicContact CG-CG2 3.66Å |
| 322 | D | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 145.7 | 172.6 | -173.2 | -116.4 | 0 | 0 | 0 | 110.1 | N37 H39 I285 G300 S301 Y320 G324 N325 V326 L327 | N37-D322 WeakPolarHBondContact OD1-CA 3.28Å; H39-D322 IonicContact CD2-OD2 3.02Å; H39-D322 IonicContact CE1-OD2 2.7Å; H39-D322 PolarHBondContact CE1-OD2 3.24Å; H39-D322 IonicContact NE2-OD2 2.92Å; H39-D322 PolarHBondContact NE2-OD2 2.99Å; I285-D322 WeakPolarHBondContact CD1-O 3.46Å; G300-D322 CarbonylContact C-O 3.57Å; G300-D322 WeakPolarHBondContact CA-O 3.39Å; S301-D322 PolarHBondContact N-O 3.34Å; S301-D322 PolarHBondContact O-N 3.25Å; Y320-D322 HydrophobicContact CE1-CB 3.74Å; Y320-D322 WeakPolarHBondContact OH-CB 3.14Å; D322-G324 PolarHBondContact O-N 2.94Å; D322-G324 WeakPolarHBondContact OD1-CA 3.26Å; D322-G324 PolarHBondContact OD1-N 3.28Å; D322-N325 PolarHBondContact OD1-N 2.9Å; D322-V326 PolarHBondContact OD1-N 3.36Å; D322-L327 PolarHBondContact OD1-N 2.84Å |
| 323 | D | 96.6 | Very high | 97.6 | Very high | 61 Ų | 61 | 36 Ų | 36 | 33% | 0.326 | 19% | 0.194 | S | C | . | . | trans | -80.8 | -0.7 | 179.7 | 57.8 | 18.4 | 0 | 0 | 0 | 113.8 | N37 N325 | N37-D323 PolarHBondContact ND2-OD2 3.05Å; N37-D323 WeakPolarHBondContact OD1-CB 3.37Å; N37-D323 PolarHBondContact OD1-N 2.85Å; D323-N325 VanDerWaalsContact OD1-CB 3.28Å; D323-N325 WeakPolarHBondContact OD1-CB 3.36Å; D323-N325 VanDerWaalsContact OD1-CG 3.3Å; D323-N325 PolarHBondContact OD1-N 3.22Å; D323-N325 PolarHBondContact OD1-ND2 3.02Å; D323-N325 PolarHBondContact OD2-ND2 2.99Å | ||
| 324 | G | 96.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 106.9 | -6.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P299 D322 V326 M328 | P299-G324 WeakPolarHBondContact O-CA 3.43Å; D322-G324 PolarHBondContact O-N 2.94Å; D322-G324 WeakPolarHBondContact OD1-CA 3.26Å; D322-G324 PolarHBondContact OD1-N 3.28Å; G324-V326 VanDerWaalsContact C-N 3.35Å; G324-M328 WeakPolarHBondContact O-CE 3.33Å; G324-M328 WeakPolarHBondContact O-CG 3.45Å |
| 325 | N | 94.2 | Very high | 97.8 | Very high | 129 Ų | 129 | 27.7 Ų | 27.7 | 69% | 0.69 | 16% | 0.155 | S | C | * | . | S | Bend | trans | -71.5 | -28.2 | 178.2 | -73.5 | -52.3 | 0 | 0 | 0 | 113.3 | D322 D323 | D322-N325 PolarHBondContact OD1-N 2.9Å; D323-N325 VanDerWaalsContact OD1-CB 3.28Å; D323-N325 WeakPolarHBondContact OD1-CB 3.36Å; D323-N325 VanDerWaalsContact OD1-CG 3.3Å; D323-N325 PolarHBondContact OD1-N 3.22Å; D323-N325 PolarHBondContact OD1-ND2 3.02Å; D323-N325 PolarHBondContact OD2-ND2 2.99Å |
| 326 | V | 96.1 | Very high | 97.8 | Very high | 63 Ų | 63 | 27 Ų | 27 | 38% | 0.382 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -102.4 | -49.5 | 177 | 180 | 0 | 0 | 0 | 0 | 110.4 | D322 G324 L350 | D322-V326 PolarHBondContact OD1-N 3.36Å; G324-V326 VanDerWaalsContact C-N 3.35Å; V326-L350 HydrophobicContact CG1-CD1 4.35Å; V326-L350 HydrophobicContact CG1-CD2 4.46Å |
| 327 | L | 97.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | trans | -140.1 | 122.2 | -173 | -165.9 | 72 | 0 | 0 | 0 | 110.1 | S301 D322 I342 T344 K348 L350 | S301-L327 WeakPolarHBondContact CB-O 3.1Å; S301-L327 VanDerWaalsContact OG-C 3.24Å; S301-L327 PolarHBondContact OG-O 3.21Å; D322-L327 PolarHBondContact OD1-N 2.84Å; L327-I342 HydrophobicContact CD2-CB 3.83Å; L327-I342 HydrophobicContact CD2-CG2 3.51Å; L327-T344 HydrophobicContact CD1-CG2 3.51Å; L327-T344 HydrophobicContact CD2-CG2 3.96Å; L327-T344 HydrophobicContact CG-CG2 3.48Å; L327-T344 VanDerWaalsContact CG-CG2 3.48Å; L327-K348 HydrophobicContact CD1-CB 4.15Å; L327-K348 WeakPolarHBondContact CD1-O 3.32Å; L327-L350 HydrophobicContact CD1-CB 4.23Å; L327-L350 HydrophobicContact CD2-CB 4.01Å; L327-L350 HydrophobicContact CD2-CD2 4.42Å | ||
| 328 | M | 97.8 | Very high | 97.5 | Very high | 36 Ų | 36 | 27.3 Ų | 27.3 | 18% | 0.177 | 17% | 0.171 | C | C | . | . | trans | -102.9 | 125.1 | -175.6 | -58.8 | 175.9 | -171.5 | 0 | 0 | 111.6 | F293 P298 P299 G324 T344 H347 | F293-M328 HydrophobicContact CE2-SD 4.26Å; P298-M328 HydrophobicContact CB-CE 3.93Å; P298-M328 HydrophobicContact CB-CG 3.97Å; P298-M328 HydrophobicContact CB-SD 3.74Å; P298-M328 HydrophobicContact CG-CE 4.22Å; P299-M328 HydrophobicContact CG-CB 4.3Å; P299-M328 VanDerWaalsContact O-CA 3.22Å; P299-M328 WeakPolarHBondContact O-CA 3.3Å; G324-M328 WeakPolarHBondContact O-CE 3.33Å; G324-M328 WeakPolarHBondContact O-CG 3.45Å; M328-T344 VanDerWaalsContact O-CB 3.31Å; M328-T344 WeakPolarHBondContact O-CB 3.36Å; M328-T344 WeakPolarHBondContact O-CG2 3.35Å; M328-H347 HydrophobicContact CB-CB 4.15Å; M328-H347 PolarHBondContact N-ND1 2.84Å | ||
| 329 | G | 97.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | S | Bend | trans | 64 | 58.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | P299 G300 S331 T344 V345 | P299-G329 PolarHBondContact O-N 3.49Å; G300-G329 WeakPolarHBondContact O-CA 3.12Å; G300-G329 PolarHBondContact O-N 3.24Å; G329-S331 PolarHBondContact O-N 2.99Å; G329-T344 WeakPolarHBondContact O-CA 3.38Å; G329-T344 WeakPolarHBondContact O-CB 3.36Å; G329-V345 PolarHBondContact O-N 2.87Å |
| 330 | S | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 128.9 | 175.3 | 56.1 | 0 | 0 | 0 | 0 | 112.5 | C283 H284 S301 E302 G343 | C283-S330 CarbonylContact C-O 3.51Å; C283-S330 PolarHBondContact N-O 3.45Å; C283-S330 PolarHBondContact O-OG 2.94Å; H284-S330 PolarHBondContact CE1-O 3.3Å; S301-S330 VanDerWaalsContact CA-OG 3.23Å; S301-S330 WeakPolarHBondContact CA-OG 3.29Å; S301-S330 WeakPolarHBondContact CB-OG 3.48Å; S301-S330 PolarHBondContact OG-N 3.15Å; E302-S330 PolarHBondContact N-OG 3.18Å; E302-S330 PolarHBondContact O-OG 3.42Å; S330-G343 VanDerWaalsContact CA-O 3.23Å; S330-G343 WeakPolarHBondContact CA-O 3.43Å |
| 331 | S | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | -36.7 | -179.4 | 47.2 | 0 | 0 | 0 | 0 | 112.3 | E54 D268 N269 G282 G329 G343 T344 V345 | E54-S331 WeakPolarHBondContact CA-OG 3.35Å; E54-S331 WeakPolarHBondContact O-CB 3.27Å; E54-S331 PolarHBondContact O-OG 2.73Å; D268-S331 WeakPolarHBondContact CB-O 3.36Å; D268-S331 WeakPolarHBondContact OD2-CA 3.32Å; D268-S331 WeakPolarHBondContact OD2-CB 3.43Å; N269-S331 WeakPolarHBondContact CB-O 2.83Å; N269-S331 PolarHBondContact N-O 3.37Å; G282-S331 WeakPolarHBondContact CA-O 3.46Å; G329-S331 PolarHBondContact O-N 2.99Å; S331-G343 PolarHBondContact N-O 2.94Å; S331-T344 VanDerWaalsContact OG-C 3.31Å; S331-T344 WeakPolarHBondContact OG-CA 3.32Å; S331-V345 PolarHBondContact OG-N 3.4Å |
| 332 | V | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 149.2 | -176.9 | 64.8 | 0 | 0 | 0 | 0 | 111.2 | E54 I56 N269 E271 I342 G343 | E54-V332 WeakPolarHBondContact O-CG1 3.12Å; I56-V332 HydrophobicContact CB-CG1 3.85Å; I56-V332 HydrophobicContact CB-CG2 4.29Å; I56-V332 HydrophobicContact CD1-CG1 3.94Å; I56-V332 HydrophobicContact CG1-CG1 3.64Å; N269-V332 HydrophobicContact CB-CB 3.83Å; N269-V332 HydrophobicContact CB-CG2 3.99Å; E271-V332 HydrophobicContact CG-CG2 3.72Å; V332-I342 WeakPolarHBondContact O-CA 3.43Å; V332-G343 PolarHBondContact O-N 3.3Å |
| 333 | A | 98.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 133.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | E271 W280 V303 L340 L341 | E271-A333 WeakPolarHBondContact CB-O 3.47Å; W280-A333 CarbonylContact C-O 3.58Å; W280-A333 WeakPolarHBondContact CB-O 3.35Å; V303-A333 HydrophobicContact CB-CB 4.24Å; V303-A333 HydrophobicContact CG1-CB 3.54Å; V303-A333 HydrophobicContact CG2-CB 3.72Å; A333-L340 HydrophobicContact CB-CD1 4.23Å; A333-L341 CarbonylContact C-O 3.48Å; A333-L341 WeakPolarHBondContact CA-O 3.2Å |
| 334 | T | 98.5 | Very high | 97.7 | Very high | 6 Ų | 6 | 23 Ų | 23 | 4% | 0.037 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 157.1 | -177.5 | -171.4 | 0 | 0 | 0 | 0 | 110.8 | I56 I58 E271 L341 | I56-T334 HydrophobicContact CB-CG2 4.35Å; I56-T334 HydrophobicContact CG2-CG2 3.77Å; I58-T334 HydrophobicContact CD1-CG2 3.55Å; I58-T334 HydrophobicContact CG1-CG2 3.78Å; E271-T334 WeakPolarHBondContact OE2-CB 3.47Å; E271-T334 PolarHBondContact OE2-OG1 3.23Å; T334-L341 HydrophobicContact CG2-CB 4.26Å; T334-L341 PolarHBondContact N-O 3.43Å; T334-L341 PolarHBondContact O-N 2.95Å |
| 335 | V | 98.1 | Very high | 97.7 | Very high | 18 Ų | 18 | 23.5 Ų | 23.5 | 11% | 0.109 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 147.1 | -169.4 | -64.6 | 0 | 0 | 0 | 0 | 112.9 | D273 W280 K339 L340 L354 | D273-V335 HydrophobicContact CB-CG2 4.39Å; W280-V335 HydrophobicContact CD2-CG1 3.68Å; W280-V335 HydrophobicContact CD2-CG2 4.29Å; W280-V335 HydrophobicContact CE3-CG1 3.8Å; W280-V335 HydrophobicContact CG-CG1 4.38Å; W280-V335 HydrophobicContact CG-CG2 4.44Å; W280-V335 HydrophobicContact CH2-CG1 3.68Å; W280-V335 HydrophobicContact CZ2-CB 4.38Å; W280-V335 HydrophobicContact CZ2-CG1 3.57Å; W280-V335 HydrophobicContact CZ2-CG2 4.02Å; W280-V335 HydrophobicContact CZ3-CG1 3.79Å; V335-K339 VanDerWaalsContact CA-O 3.25Å; V335-K339 WeakPolarHBondContact CA-O 3.29Å; V335-K339 WeakPolarHBondContact CB-O 3.48Å; V335-L340 HydrophobicContact CG1-CB 4.4Å; V335-L340 HydrophobicContact CG1-CD1 3.59Å; V335-L354 HydrophobicContact CB-CD1 4.45Å; V335-L354 HydrophobicContact CG1-CD1 3.99Å |
| 336 | Y | 97.7 | Very high | 97.9 | Very high | 55 Ų | 55 | 18.1 Ų | 18.1 | 22% | 0.216 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 137.1 | 171.4 | 179.1 | -93.6 | 0 | 0 | 0 | 110.8 | I58 D61 G62 L89 K90 G338 K339 | I58-Y336 HydrophobicContact CG2-CD2 4.24Å; I58-Y336 HydrophobicContact CG2-CG 4.46Å; D61-Y336 VanDerWaalsContact C-CZ 3.44Å; D61-Y336 WeakPolarHBondContact CA-OH 3.47Å; D61-Y336 PolarHBondContact O-OH 2.88Å; D61-Y336 PolarHBondContact OD1-OH 3.48Å; G62-Y336 VanDerWaalsContact CA-CE1 3.44Å; G62-Y336 VanDerWaalsContact CA-CE2 3.49Å; G62-Y336 VanDerWaalsContact N-CE2 3.28Å; G62-Y336 VanDerWaalsContact N-CZ 3.31Å; G62-Y336 PolarHBondContact N-OH 2.87Å; L89-Y336 HydrophobicContact CB-CD1 3.75Å; L89-Y336 HydrophobicContact CB-CE1 4.33Å; L89-Y336 HydrophobicContact CD1-CD1 4.09Å; L89-Y336 HydrophobicContact CD1-CG 4.12Å; K90-Y336 HydrophobicContact CG-CE1 4.22Å; Y336-G338 PolarHBondContact O-N 2.86Å; Y336-G338 VanDerWaalsContact O-N 3.13Å; Y336-K339 PolarHBondContact N-O 2.91Å; Y336-K339 WeakPolarHBondContact O-CB 3.35Å; Y336-K339 PolarHBondContact O-N 3.33Å |
| 337 | G | 95 | Very high | 97.9 | Very high | 70 Ų | 70 | 16.6 Ų | 16.6 | 72% | 0.722 | 11% | 0.109 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 33.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | K339 | G337-K339 VanDerWaalsContact C-N 3.27Å; G337-K339 PolarHBondContact O-N 3.4Å |
| 338 | G | 95.8 | Very high | 97.9 | Very high | 47 Ų | 47 | 19.6 Ų | 19.6 | 49% | 0.485 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 5.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y336 L354 | Y336-G338 PolarHBondContact O-N 2.86Å; Y336-G338 VanDerWaalsContact O-N 3.13Å; G338-L354 WeakPolarHBondContact O-CB 3.45Å; G338-L354 PolarHBondContact O-N 3.4Å |
| 339 | K | 97.6 | Very high | 98 | Very high | 55 Ų | 55 | 18 Ų | 18 | 24% | 0.239 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 150.7 | 174.5 | -58.1 | -172.3 | 177.5 | -64.6 | 0 | 111.2 | V335 Y336 G337 C352 D353 | V335-K339 VanDerWaalsContact CA-O 3.25Å; V335-K339 WeakPolarHBondContact CA-O 3.29Å; V335-K339 WeakPolarHBondContact CB-O 3.48Å; Y336-K339 PolarHBondContact N-O 2.91Å; Y336-K339 WeakPolarHBondContact O-CB 3.35Å; Y336-K339 PolarHBondContact O-N 3.33Å; G337-K339 VanDerWaalsContact C-N 3.27Å; G337-K339 PolarHBondContact O-N 3.4Å; K339-C352 CarbonylContact C-O 3.58Å; K339-C352 VanDerWaalsContact CA-O 3.27Å; K339-C352 WeakPolarHBondContact CA-O 3.3Å; K339-D353 IonicContact NZ-OD1 3.84Å; K339-D353 PolarHBondContact NZ-OD1 3.1Å |
| 340 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 124.8 | 170.8 | 177.2 | 67 | 0 | 0 | 0 | 108.8 | L40 W280 V303 V319 A333 V335 I342 C351 C352 L354 | L40-L340 HydrophobicContact CD1-CB 4.4Å; L40-L340 HydrophobicContact CD1-CD2 3.57Å; W280-L340 HydrophobicContact CE3-CD1 3.86Å; W280-L340 HydrophobicContact CZ3-CD1 3.88Å; V303-L340 HydrophobicContact CG1-CD1 4.35Å; V303-L340 HydrophobicContact CG1-CD2 4.35Å; V303-L340 HydrophobicContact CG2-CD2 4.44Å; V319-L340 HydrophobicContact CG1-CD2 4.36Å; A333-L340 HydrophobicContact CB-CD1 4.23Å; V335-L340 HydrophobicContact CG1-CB 4.4Å; V335-L340 HydrophobicContact CG1-CD1 3.59Å; L340-I342 HydrophobicContact CD2-CD1 3.89Å; L340-I342 HydrophobicContact CD2-CG1 3.97Å; L340-I342 HydrophobicContact CG-CD1 4.36Å; L340-I342 HydrophobicContact CG-CG1 3.9Å; L340-C351 CarbonylContact O-C 3.54Å; L340-C351 VanDerWaalsContact O-CA 3.27Å; L340-C351 WeakPolarHBondContact O-CA 3.43Å; L340-C352 PolarHBondContact N-O 3.08Å; L340-C352 PolarHBondContact O-N 3.3Å; L340-L354 HydrophobicContact CB-CD2 3.91Å; L340-L354 HydrophobicContact CB-CG 4.2Å; L340-L354 HydrophobicContact CD2-CD2 4.43Å |
| 341 | L | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 140 | 165.1 | -67.6 | 108 | 0 | 0 | 0 | 110 | L46 I58 L87 L89 A333 T334 L350 | L46-L341 HydrophobicContact CD1-CD2 4.01Å; I58-L341 HydrophobicContact CD1-CD1 3.82Å; L87-L341 HydrophobicContact CD2-CD2 3.62Å; L89-L341 HydrophobicContact CD1-CD1 3.44Å; L89-L341 VanDerWaalsContact CD1-CD1 3.44Å; L89-L341 HydrophobicContact CD2-CD1 3.43Å; L89-L341 VanDerWaalsContact CD2-CD1 3.43Å; L89-L341 HydrophobicContact CD2-CD2 3.84Å; L89-L341 HydrophobicContact CD2-CG 4.05Å; L89-L341 HydrophobicContact CG-CD1 4.07Å; A333-L341 CarbonylContact C-O 3.48Å; A333-L341 WeakPolarHBondContact CA-O 3.2Å; T334-L341 HydrophobicContact CG2-CB 4.26Å; T334-L341 PolarHBondContact N-O 3.43Å; T334-L341 PolarHBondContact O-N 2.95Å; L341-L350 CarbonylContact C-O 3.46Å; L341-L350 WeakPolarHBondContact CA-O 3.26Å |
| 342 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 118.6 | 177.6 | -44.2 | 176.8 | 0 | 0 | 0 | 107.5 | V303 Y320 L327 V332 L340 A349 L350 | V303-I342 HydrophobicContact CG2-CD1 3.73Å; V303-I342 HydrophobicContact CG2-CG1 3.96Å; V303-I342 HydrophobicContact CG2-CG2 3.99Å; Y320-I342 HydrophobicContact CD1-CD1 3.6Å; Y320-I342 HydrophobicContact CD2-CD1 4.19Å; Y320-I342 HydrophobicContact CE1-CD1 3.93Å; Y320-I342 HydrophobicContact CE2-CD1 4.47Å; Y320-I342 HydrophobicContact CG-CD1 3.73Å; L327-I342 HydrophobicContact CD2-CB 3.83Å; L327-I342 HydrophobicContact CD2-CG2 3.51Å; V332-I342 WeakPolarHBondContact O-CA 3.43Å; L340-I342 HydrophobicContact CD2-CD1 3.89Å; L340-I342 HydrophobicContact CD2-CG1 3.97Å; L340-I342 HydrophobicContact CG-CD1 4.36Å; L340-I342 HydrophobicContact CG-CG1 3.9Å; I342-A349 CarbonylContact O-C 3.18Å; I342-A349 VanDerWaalsContact O-CA 3.3Å; I342-A349 WeakPolarHBondContact O-CA 3.3Å; I342-L350 HydrophobicContact CB-CB 4.38Å; I342-L350 HydrophobicContact CD1-CD2 4.42Å; I342-L350 PolarHBondContact N-O 3.43Å; I342-L350 PolarHBondContact O-N 3.45Å |
| 343 | G | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 165.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S53 S330 S331 V332 | S53-G343 CarbonylContact O-C 3.54Å; S53-G343 WeakPolarHBondContact O-CA 3.41Å; S53-G343 WeakPolarHBondContact OG-CA 3.34Å; S330-G343 VanDerWaalsContact CA-O 3.23Å; S330-G343 WeakPolarHBondContact CA-O 3.43Å; S331-G343 PolarHBondContact N-O 2.94Å; V332-G343 PolarHBondContact O-N 3.3Å |
| 344 | T | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 152.6 | -179.2 | 60.8 | 0 | 0 | 0 | 0 | 111.5 | S53 E54 L327 M328 G329 S331 F346 H347 K348 | S53-T344 CarbonylContact C-O 3.55Å; S53-T344 PolarHBondContact N-O 3.44Å; S53-T344 PolarHBondContact O-N 2.72Å; S53-T344 PolarHBondContact OG-N 2.93Å; S53-T344 VanDerWaalsContact OG-N 3.14Å; E54-T344 WeakPolarHBondContact CA-O 3.26Å; E54-T344 PolarHBondContact N-O 2.92Å; L327-T344 HydrophobicContact CD1-CG2 3.51Å; L327-T344 HydrophobicContact CD2-CG2 3.96Å; L327-T344 HydrophobicContact CG-CG2 3.48Å; L327-T344 VanDerWaalsContact CG-CG2 3.48Å; M328-T344 VanDerWaalsContact O-CB 3.31Å; M328-T344 WeakPolarHBondContact O-CB 3.36Å; M328-T344 WeakPolarHBondContact O-CG2 3.35Å; G329-T344 WeakPolarHBondContact O-CA 3.38Å; G329-T344 WeakPolarHBondContact O-CB 3.36Å; S331-T344 VanDerWaalsContact OG-C 3.31Å; S331-T344 WeakPolarHBondContact OG-CA 3.32Å; T344-F346 VanDerWaalsContact C-N 3.31Å; T344-F346 PolarHBondContact O-N 3.47Å; T344-H347 HydrophobicContact CG2-CB 4.41Å; T344-H347 VanDerWaalsContact OG1-CA 3.25Å; T344-H347 WeakPolarHBondContact OG1-CA 3.38Å; T344-H347 WeakPolarHBondContact OG1-CB 3.37Å; T344-H347 PolarHBondContact OG1-N 2.92Å; T344-H347 PolarHBondContact OG1-O 3.38Å; T344-K348 WeakPolarHBondContact CB-O 3.36Å; T344-K348 WeakPolarHBondContact CG2-O 3.37Å; T344-K348 PolarHBondContact OG1-N 3.45Å; T344-K348 PolarHBondContact OG1-O 3.04Å |
| 345 | V | 97.6 | Very high | 97.2 | Very high | 12 Ų | 12 | 33.6 Ų | 33.6 | 7% | 0.073 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -55.9 | -44.5 | -179.9 | -178.4 | 0 | 0 | 0 | 0 | 112 | E54 L70 F75 G329 S331 | E54-V345 HydrophobicContact CG-CG1 4.48Å; E54-V345 HydrophobicContact CG-CG2 4.48Å; L70-V345 HydrophobicContact CD2-CG1 4.48Å; F75-V345 HydrophobicContact CD1-CG1 4.21Å; F75-V345 HydrophobicContact CE1-CG1 4.26Å; G329-V345 PolarHBondContact O-N 2.87Å; S331-V345 PolarHBondContact OG-N 3.4Å |
| 346 | F | 97.1 | Very high | 97.2 | Very high | 16 Ų | 16 | 34.4 Ų | 34.4 | 7% | 0.07 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -141.5 | 2.2 | -170.9 | 60.2 | -98.4 | 0 | 0 | 0 | 115.4 | H51 G52 F75 P76 L290 F293 P299 T344 | H51-F346 CarbonylContact C-O 3.58Å; G52-F346 PolarHBondContact N-O 2.92Å; F75-F346 HydrophobicContact CB-CD1 4.38Å; F75-F346 AromaticContact CD1-CD1 3.42Å; F75-F346 HydrophobicContact CD1-CD1 3.42Å; F75-F346 VanDerWaalsContact CD1-CD1 3.42Å; F75-F346 AromaticContact CD1-CE1 3.57Å; F75-F346 HydrophobicContact CD1-CE1 3.57Å; F75-F346 HydrophobicContact CD1-CG 4.5Å; F75-F346 HydrophobicContact CE1-CD1 4.11Å; F75-F346 AromaticContact CE1-CE1 3.97Å; F75-F346 HydrophobicContact CE1-CE1 3.97Å; F75-F346 HydrophobicContact CG-CD1 4.31Å; P76-F346 HydrophobicContact CB-CD2 4.11Å; P76-F346 HydrophobicContact CB-CG 4.49Å; P76-F346 HydrophobicContact CG-CD2 3.86Å; P76-F346 HydrophobicContact CG-CE2 3.98Å; P76-F346 HydrophobicContact CG-CG 4.31Å; L290-F346 HydrophobicContact CD1-CE1 4.12Å; F293-F346 HydrophobicContact CD2-CE2 4.1Å; F293-F346 AromaticContact CD2-CZ 3.84Å; F293-F346 HydrophobicContact CD2-CZ 3.84Å; F293-F346 AromaticContact CE2-CE2 3.93Å; F293-F346 HydrophobicContact CE2-CE2 3.93Å; F293-F346 HydrophobicContact CE2-CZ 4.09Å; P299-F346 HydrophobicContact CG-CE1 4.48Å; P299-F346 HydrophobicContact CG-CZ 3.88Å; T344-F346 VanDerWaalsContact C-N 3.31Å; T344-F346 PolarHBondContact O-N 3.47Å |
| 347 | H | 97.4 | Very high | 97.2 | Very high | 30 Ų | 30 | 33.3 Ų | 33.3 | 14% | 0.139 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -112.7 | -139.9 | -174.5 | -171 | -119 | 0 | 0 | 0 | 111 | E50 H51 G52 M328 T344 | E50-H347 CarbonylContact C-O 3.56Å; H51-H347 PolarHBondContact N-O 3.24Å; G52-H347 WeakPolarHBondContact CA-O 3.44Å; G52-H347 PolarHBondContact N-O 2.92Å; M328-H347 HydrophobicContact CB-CB 4.15Å; M328-H347 PolarHBondContact N-ND1 2.84Å; T344-H347 HydrophobicContact CG2-CB 4.41Å; T344-H347 VanDerWaalsContact OG1-CA 3.25Å; T344-H347 WeakPolarHBondContact OG1-CA 3.38Å; T344-H347 WeakPolarHBondContact OG1-CB 3.37Å; T344-H347 PolarHBondContact OG1-N 2.92Å; T344-H347 PolarHBondContact OG1-O 3.38Å |
| 348 | K | 97.6 | Very high | 97.3 | Very high | 65 Ų | 65 | 31.3 Ų | 31.3 | 28% | 0.283 | 16% | 0.158 | S | C | . | . | trans | -86.4 | 173.6 | -177.3 | -60.2 | 172.1 | -172.1 | 173.8 | 0 | 112 | I49 E50 S53 L327 T344 | I49-K348 WeakPolarHBondContact O-CA 3.23Å; E50-K348 WeakPolarHBondContact OE2-CE 3.45Å; S53-K348 PolarHBondContact OG-O 2.83Å; S53-K348 VanDerWaalsContact OG-O 3.1Å; L327-K348 HydrophobicContact CD1-CB 4.15Å; L327-K348 WeakPolarHBondContact CD1-O 3.32Å; T344-K348 WeakPolarHBondContact CB-O 3.36Å; T344-K348 WeakPolarHBondContact CG2-O 3.37Å; T344-K348 PolarHBondContact OG1-N 3.45Å; T344-K348 PolarHBondContact OG1-O 3.04Å | ||
| 349 | A | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | trans | -109.2 | 149.4 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | A45 L46 I49 S53 I342 | A45-A349 WeakPolarHBondContact CA-O 3.27Å; L46-A349 HydrophobicContact CB-CB 4.18Å; L46-A349 HydrophobicContact CD1-CB 3.79Å; L46-A349 HydrophobicContact CG-CB 4.12Å; L46-A349 PolarHBondContact N-O 2.87Å; I49-A349 HydrophobicContact CB-CB 4.41Å; I49-A349 HydrophobicContact CD1-CB 4.22Å; I49-A349 HydrophobicContact CG2-CB 3.89Å; S53-A349 WeakPolarHBondContact OG-CB 3.47Å; I342-A349 CarbonylContact O-C 3.18Å; I342-A349 VanDerWaalsContact O-CA 3.3Å; I342-A349 WeakPolarHBondContact O-CA 3.3Å | ||
| 350 | L | 98.2 | Very high | 97.4 | Very high | 6 Ų | 6 | 28.8 Ų | 28.8 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 140.4 | 179.3 | -161.8 | 70.9 | 0 | 0 | 0 | 110.1 | C43 Y320 V326 L327 L341 I342 C352 | C43-L350 HydrophobicContact CB-CD1 4.13Å; C43-L350 HydrophobicContact CB-CD2 3.93Å; C43-L350 HydrophobicContact CB-CG 4.07Å; Y320-L350 HydrophobicContact CE2-CD2 4.11Å; Y320-L350 WeakPolarHBondContact OH-CD2 3.41Å; V326-L350 HydrophobicContact CG1-CD1 4.35Å; V326-L350 HydrophobicContact CG1-CD2 4.46Å; L327-L350 HydrophobicContact CD1-CB 4.23Å; L327-L350 HydrophobicContact CD2-CB 4.01Å; L327-L350 HydrophobicContact CD2-CD2 4.42Å; L341-L350 CarbonylContact C-O 3.46Å; L341-L350 WeakPolarHBondContact CA-O 3.26Å; I342-L350 HydrophobicContact CB-CB 4.38Å; I342-L350 HydrophobicContact CD1-CD2 4.42Å; I342-L350 PolarHBondContact N-O 3.43Å; I342-L350 PolarHBondContact O-N 3.45Å; L350-C352 VanDerWaalsContact CD2-SG 3.59Å |
| 351 | C | 98.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.014 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 125.8 | 168.5 | -174.7 | 0 | 0 | 0 | 0 | 109.2 | C43 V44 L46 L94 L340 | C43-C351 CarbonylContact C-O 3.52Å; C43-C351 WeakPolarHBondContact CA-O 3.33Å; V44-C351 HydrophobicContact CG2-CB 4.26Å; V44-C351 WeakPolarHBondContact CG2-O 3.46Å; V44-C351 PolarHBondContact N-O 2.76Å; V44-C351 PolarHBondContact O-N 3.38Å; L46-C351 HydrophobicContact CD2-CB 3.98Å; L94-C351 HydrophobicContact CD1-CB 4.15Å; L340-C351 CarbonylContact O-C 3.54Å; L340-C351 VanDerWaalsContact O-CA 3.27Å; L340-C351 WeakPolarHBondContact O-CA 3.43Å |
| 352 | C | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 156.8 | -177.6 | -57.1 | 0 | 0 | 0 | 0 | 111 | L40 C43 K339 L340 L350 | L40-C352 HydrophobicContact CB-CB 3.82Å; L40-C352 HydrophobicContact CD1-CB 3.98Å; C43-C352 VanDerWaalsContact CA-SG 3.58Å; C43-C352 HydrophobicContact CB-CB 4.12Å; C43-C352 WeakPolarHBondContact CB-SG 3.28Å; C43-C352 WeakPolarHBondContact SG-CB 3.33Å; C43-C352 CovalentContact SG-SG 2.04Å; C43-C352 PolarHBondContact SG-SG 3.32Å; K339-C352 CarbonylContact C-O 3.58Å; K339-C352 VanDerWaalsContact CA-O 3.27Å; K339-C352 WeakPolarHBondContact CA-O 3.3Å; L340-C352 PolarHBondContact N-O 3.08Å; L340-C352 PolarHBondContact O-N 3.3Å; L350-C352 VanDerWaalsContact CD2-SG 3.59Å |
| 353 | D | 97.8 | Very high | 97 | Very high | 36 Ų | 36 | 35.4 Ų | 35.4 | 19% | 0.193 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 137 | 166.7 | -66.6 | -30.9 | 0 | 0 | 0 | 109.3 | P41 N42 K339 K355 | P41-D353 WeakPolarHBondContact CD-O 3.36Å; P41-D353 HydrophobicContact CG-CB 4.38Å; P41-D353 PolarHBondContact O-N 3.47Å; P41-D353 VanDerWaalsContact O-N 3.1Å; N42-D353 HydrophobicContact CB-CB 4.39Å; N42-D353 VanDerWaalsContact CB-OD2 3.28Å; N42-D353 WeakPolarHBondContact CB-OD2 3.35Å; N42-D353 PolarHBondContact ND2-OD2 2.8Å; K339-D353 IonicContact NZ-OD1 3.84Å; K339-D353 PolarHBondContact NZ-OD1 3.1Å; D353-K355 VanDerWaalsContact C-N 3.31Å |
| 354 | L | 96.1 | Very high | 96.9 | Very high | 50 Ų | 50 | 38.3 Ų | 38.3 | 26% | 0.262 | 18% | 0.177 | S | C | . | . | trans | -76.4 | -17.1 | 179.5 | -75 | 169.8 | 0 | 0 | 0 | 113.4 | L40 W280 V319 V335 G338 L340 | L40-L354 HydrophobicContact CD1-CD2 4.16Å; W280-L354 HydrophobicContact CH2-CD1 4.41Å; W280-L354 HydrophobicContact CH2-CD2 4.05Å; W280-L354 HydrophobicContact CZ3-CD2 4.37Å; V319-L354 HydrophobicContact CG1-CD2 4.1Å; V335-L354 HydrophobicContact CB-CD1 4.45Å; V335-L354 HydrophobicContact CG1-CD1 3.99Å; G338-L354 WeakPolarHBondContact O-CB 3.45Å; G338-L354 PolarHBondContact O-N 3.4Å; L340-L354 HydrophobicContact CB-CD2 3.91Å; L340-L354 HydrophobicContact CB-CG 4.2Å; L340-L354 HydrophobicContact CD2-CD2 4.43Å | ||
| 355 | K | 87.2 | Confident | 96.7 | Very high | 242 Ų | 242 | 41.8 Ų | 41.8 | 100% | 1.052 | 19% | 0.193 | S | C | * | . | trans | -142.2 | 0 | -176.3 | -71.2 | -174.3 | -179.6 | 176 | 0 | 112 | D353 | D353-K355 VanDerWaalsContact C-N 3.31Š|
Retrieved 355 of 355 residues in 289.3 ms
(Link to these results)