| 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 | 55.4 | Low | 85 | Confident | 184 Ų | 184 | 79 Ų | 79 | 91% | 0.906 | 39% | 0.394 | S | S | * | . | 0 | 125.7 | 0 | -63.6 | 178.3 | -161.4 | 0 | 0 | 107.1 | F18 | M1-F18 HydrophobicContact CB-CE1 4.17Å; M1-F18 HydrophobicContact CB-CZ 3.78Å; M1-F18 HydrophobicContact SD-CE1 4.36Å | |||
| 2 | S | 78.5 | Confident | 85.7 | Confident | 83 Ų | 83 | 83.8 Ų | 83.8 | 58% | 0.58 | 41% | 0.414 | S | S | * | . | trans | -89.1 | 143.2 | -179.6 | 51.6 | 0 | 0 | 0 | 0 | 111.4 | R17 | S2-R17 PolarHBondContact O-NH1 2.75Š| ||
| 3 | Y | 87.9 | Confident | 86.4 | Confident | 75 Ų | 75 | 79.3 Ų | 79.3 | 29% | 0.294 | 39% | 0.394 | S | S | . | . | trans | -131.6 | 158 | 166.4 | 69.3 | -92.3 | 0 | 0 | 0 | 108 | W14 F18 T198 P199 | Y3-W14 AromaticContact CD2-CE2 3.92Å; Y3-W14 AromaticContact CD2-CZ2 3.77Å; Y3-W14 HydrophobicContact CD2-CZ2 3.77Å; Y3-W14 HydrophobicContact CE2-CZ2 4.3Å; Y3-F18 HydrophobicContact CD1-CE2 4.33Å; Y3-F18 HydrophobicContact CD1-CZ 4.27Å; Y3-T198 HydrophobicContact CE2-CG2 4.29Å; Y3-T198 WeakPolarHBondContact OH-CB 3.36Å; Y3-P199 HydrophobicContact CD1-CB 3.59Å; Y3-P199 HydrophobicContact CD1-CG 3.57Å; Y3-P199 HydrophobicContact CD2-CG 3.95Å; Y3-P199 HydrophobicContact CE1-CB 3.75Å; Y3-P199 HydrophobicContact CE1-CG 3.96Å; Y3-P199 HydrophobicContact CE2-CG 4.33Å; Y3-P199 HydrophobicContact CG-CB 4.14Å; Y3-P199 HydrophobicContact CG-CG 3.57Å | ||
| 4 | D | 88.5 | Confident | 87.1 | Confident | 45 Ų | 45 | 73.9 Ų | 73.9 | 24% | 0.241 | 37% | 0.367 | C | S | . | . | trans | -147.1 | -162.2 | 173.9 | 58.4 | 46.8 | 0 | 0 | 0 | 109.3 | G6 N9 G10 W14 | D4-G6 WeakPolarHBondContact OD1-CA 3.18Å; D4-G6 PolarHBondContact OD1-N 3.08Å; D4-N9 PolarHBondContact N-O 3.43Å; D4-N9 VanDerWaalsContact N-O 3.09Å; D4-N9 VanDerWaalsContact OD1-C 3.28Å; D4-N9 WeakPolarHBondContact OD2-CB 3.44Å; D4-N9 PolarHBondContact OD2-ND2 3.1Å; D4-G10 WeakPolarHBondContact O-CA 3.11Å; D4-W14 WeakPolarHBondContact O-CZ2 3.5Å; D4-W14 PolarHBondContact O-NE1 3.35Å | ||
| 5 | Y | 90.5 | Very high | 87.8 | Confident | 48 Ų | 48 | 73.5 Ų | 73.5 | 19% | 0.188 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -114.4 | 9.2 | 176.4 | -65.5 | -91.2 | 0 | 0 | 0 | 112.7 | P11 W14 T198 D238 N239 F240 | Y5-P11 HydrophobicContact CD1-CG 3.98Å; Y5-P11 HydrophobicContact CE1-CG 4.3Å; Y5-W14 HydrophobicContact CD1-CZ2 4.31Å; Y5-W14 AromaticContact CE1-CH2 3.8Å; Y5-W14 HydrophobicContact CE1-CH2 3.8Å; Y5-W14 AromaticContact CE1-CZ2 3.94Å; Y5-W14 HydrophobicContact CE1-CZ2 3.94Å; Y5-T198 WeakPolarHBondContact OH-CG2 3.35Å; Y5-D238 WeakPolarHBondContact CB-O 3.02Å; Y5-N239 HydrophobicContact CD2-CB 3.94Å; Y5-N239 VanDerWaalsContact CE1-O 3.29Å; Y5-N239 WeakPolarHBondContact CE1-O 3.13Å; Y5-N239 HydrophobicContact CE2-CB 3.88Å; Y5-N239 HydrophobicContact CG-CB 4.46Å; Y5-N239 PolarHBondContact OH-O 3.1Å; Y5-F240 WeakPolarHBondContact CD1-O 2.95Å; Y5-F240 VanDerWaalsContact CE1-C 3.41Å; Y5-F240 WeakPolarHBondContact CE1-O 3.08Å |
| 6 | G | 86.6 | Confident | 88.3 | Confident | 14 Ų | 14 | 77.8 Ų | 77.8 | 14% | 0.144 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -84.8 | -179.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | D4 K8 G10 | D4-G6 WeakPolarHBondContact OD1-CA 3.18Å; D4-G6 PolarHBondContact OD1-N 3.08Å; G6-K8 PolarHBondContact O-N 2.8Å; G6-G10 WeakPolarHBondContact O-CA 3.36Å; G6-G10 PolarHBondContact O-N 3.19Å |
| 7 | E | 85.5 | Confident | 88.6 | Confident | 180 Ų | 180 | 80 Ų | 80 | 84% | 0.841 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -26.8 | -175.9 | -63.3 | -177.4 | 166.2 | 0 | 0 | 114 | H12 | E7-H12 PolarHBondContact O-CE1 3.3Å; E7-H12 PolarHBondContact O-NE2 2.03Å |
| 8 | K | 87.3 | Confident | 89.1 | Confident | 178 Ų | 178 | 77.2 Ų | 77.2 | 77% | 0.774 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -37.2 | -173.6 | -67.1 | -175.4 | -178.7 | 178.4 | 0 | 114.7 | G6 | G6-K8 PolarHBondContact O-N 2.8Š|
| 9 | N | 89.2 | Confident | 89.5 | Confident | 33 Ų | 33 | 78.3 Ų | 78.3 | 18% | 0.176 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | 23.4 | -179.3 | -43.5 | -76.3 | 0 | 0 | 0 | 112.6 | D4 T13 W14 R17 | D4-N9 PolarHBondContact N-O 3.43Å; D4-N9 VanDerWaalsContact N-O 3.09Å; D4-N9 VanDerWaalsContact OD1-C 3.28Å; D4-N9 WeakPolarHBondContact OD2-CB 3.44Å; D4-N9 PolarHBondContact OD2-ND2 3.1Å; N9-T13 WeakPolarHBondContact CA-OG1 3.23Å; N9-W14 VanDerWaalsContact O-CD1 3.26Å; N9-W14 PolarHBondContact O-NE1 3.03Å; N9-R17 PolarHBondContact OD1-NH1 2.99Å; N9-R17 VanDerWaalsContact OD1-NH1 3.1Å; N9-R17 PolarHBondContact OD1-NH2 2.9Å |
| 10 | G | 91.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -70.8 | 174.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | D4 G6 H12 T13 W14 | D4-G10 WeakPolarHBondContact O-CA 3.11Å; G6-G10 WeakPolarHBondContact O-CA 3.36Å; G6-G10 PolarHBondContact O-N 3.19Å; G10-H12 PolarHBondContact O-N 3.41Å; G10-T13 PolarHBondContact O-N 3.26Å; G10-T13 PolarHBondContact O-OG1 3.15Å; G10-W14 VanDerWaalsContact C-CD1 3.48Å; G10-W14 PolarHBondContact O-NE1 3.33Å |
| 11 | P | 94.3 | Very high | 90.2 | Very high | 29 Ų | 29 | 75 Ų | 75 | 19% | 0.188 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -45.1 | -37.6 | -177.8 | -33.7 | 35.1 | 0 | 0 | 0 | 116.3 | Y5 T13 W14 R241 | Y5-P11 HydrophobicContact CD1-CG 3.98Å; Y5-P11 HydrophobicContact CE1-CG 4.3Å; P11-T13 PolarHBondContact O-N 3.25Å; P11-W14 HydrophobicContact CB-CD2 4.36Å; P11-W14 HydrophobicContact CB-CE3 4.37Å; P11-W14 HydrophobicContact CB-CH2 4.37Å; P11-W14 HydrophobicContact CB-CZ2 4.33Å; P11-W14 HydrophobicContact CB-CZ3 4.37Å; P11-W14 HydrophobicContact CG-CH2 3.85Å; P11-W14 HydrophobicContact CG-CZ2 3.69Å; P11-W14 HydrophobicContact CG-CZ3 4.33Å; P11-W14 PolarHBondContact O-N 3Å; P11-R241 HydrophobicContact CB-CG 4.08Å; P11-R241 HydrophobicContact CG-CG 4.3Å |
| 12 | H | 93.3 | Very high | 92.2 | Very high | 137 Ų | 137 | 68.9 Ų | 68.9 | 63% | 0.634 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -65.7 | -15.9 | 180 | 66.5 | -81.3 | 0 | 0 | 0 | 114.1 | E7 G10 | E7-H12 PolarHBondContact O-CE1 3.3Å; E7-H12 PolarHBondContact O-NE2 2.03Å; G10-H12 PolarHBondContact O-N 3.41Å |
| 13 | T | 94.9 | Very high | 93 | Very high | 25 Ų | 25 | 66.5 Ų | 66.5 | 15% | 0.153 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -107 | -12.5 | 178.7 | 66.2 | 0 | 0 | 0 | 0 | 113.9 | N9 G10 P11 V15 L16 | N9-T13 WeakPolarHBondContact CA-OG1 3.23Å; G10-T13 PolarHBondContact O-N 3.26Å; G10-T13 PolarHBondContact O-OG1 3.15Å; P11-T13 PolarHBondContact O-N 3.25Å; T13-V15 PolarHBondContact O-N 3.04Å; T13-V15 VanDerWaalsContact O-N 3.14Å; T13-L16 VanDerWaalsContact O-CB 3.3Å; T13-L16 WeakPolarHBondContact O-CB 3.45Å; T13-L16 WeakPolarHBondContact O-CG 3.15Å; T13-L16 PolarHBondContact O-N 3.44Å |
| 14 | W | 96.5 | Very high | 93.5 | Very high | 3 Ų | 3 | 68 Ų | 68 | 1% | 0.011 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -58.4 | -36.3 | -168.8 | -69 | -5.1 | 0 | 0 | 0 | 113 | Y3 D4 Y5 N9 G10 P11 L16 R17 F18 A21 T197 P199 R241 | Y3-W14 AromaticContact CD2-CE2 3.92Å; Y3-W14 AromaticContact CD2-CZ2 3.77Å; Y3-W14 HydrophobicContact CD2-CZ2 3.77Å; Y3-W14 HydrophobicContact CE2-CZ2 4.3Å; D4-W14 WeakPolarHBondContact O-CZ2 3.5Å; D4-W14 PolarHBondContact O-NE1 3.35Å; Y5-W14 HydrophobicContact CD1-CZ2 4.31Å; Y5-W14 AromaticContact CE1-CH2 3.8Å; Y5-W14 HydrophobicContact CE1-CH2 3.8Å; Y5-W14 AromaticContact CE1-CZ2 3.94Å; Y5-W14 HydrophobicContact CE1-CZ2 3.94Å; N9-W14 VanDerWaalsContact O-CD1 3.26Å; N9-W14 PolarHBondContact O-NE1 3.03Å; G10-W14 VanDerWaalsContact C-CD1 3.48Å; G10-W14 PolarHBondContact O-NE1 3.33Å; P11-W14 HydrophobicContact CB-CD2 4.36Å; P11-W14 HydrophobicContact CB-CE3 4.37Å; P11-W14 HydrophobicContact CB-CH2 4.37Å; P11-W14 HydrophobicContact CB-CZ2 4.33Å; P11-W14 HydrophobicContact CB-CZ3 4.37Å; P11-W14 HydrophobicContact CG-CH2 3.85Å; P11-W14 HydrophobicContact CG-CZ2 3.69Å; P11-W14 HydrophobicContact CG-CZ3 4.33Å; P11-W14 PolarHBondContact O-N 3Å; W14-L16 PolarHBondContact O-N 3.41Å; W14-L16 VanDerWaalsContact O-N 3.1Å; W14-R17 PolarHBondContact O-N 2.89Å; W14-F18 HydrophobicContact CB-CD2 4.44Å; W14-F18 WeakPolarHBondContact O-CD2 3.42Å; W14-F18 PolarHBondContact O-N 2.87Å; W14-A21 HydrophobicContact CB-CB 4.07Å; W14-T197 WeakPolarHBondContact CZ3-O 3.33Å; W14-P199 HydrophobicContact CB-CG 4.31Å; W14-P199 HydrophobicContact CD2-CG 3.64Å; W14-P199 HydrophobicContact CE3-CG 3.84Å; W14-P199 HydrophobicContact CG-CG 3.9Å; W14-P199 HydrophobicContact CZ3-CG 4.42Å; W14-R241 HydrophobicContact CH2-CB 4.3Å; W14-R241 HydrophobicContact CH2-CG 4.22Å; W14-R241 HydrophobicContact CZ3-CB 4.22Å; W14-R241 HydrophobicContact CZ3-CG 3.73Å |
| 15 | V | 96.6 | Very high | 93.9 | Very high | 68 Ų | 68 | 70 Ų | 70 | 41% | 0.412 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -56.6 | -27.8 | 178.6 | 69.3 | 0 | 0 | 0 | 0 | 113.6 | T13 R17 A21 | T13-V15 PolarHBondContact O-N 3.04Å; T13-V15 VanDerWaalsContact O-N 3.14Å; V15-R17 PolarHBondContact O-N 3.42Å; V15-A21 HydrophobicContact CB-CB 4.23Å |
| 16 | L | 95.6 | Very high | 94.3 | Very high | 143 Ų | 143 | 68 Ų | 68 | 75% | 0.749 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -67.6 | -25.6 | 179.3 | -58 | 177 | 0 | 0 | 0 | 112.8 | T13 W14 | T13-L16 VanDerWaalsContact O-CB 3.3Å; T13-L16 WeakPolarHBondContact O-CB 3.45Å; T13-L16 WeakPolarHBondContact O-CG 3.15Å; T13-L16 PolarHBondContact O-N 3.44Å; W14-L16 PolarHBondContact O-N 3.41Å; W14-L16 VanDerWaalsContact O-N 3.1Å |
| 17 | R | 94.5 | Very high | 94.9 | Very high | 115 Ų | 115 | 67.3 Ų | 67.3 | 43% | 0.434 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | -24.9 | -178.4 | -60.4 | -177.5 | -172.1 | 164.6 | 9 | 112.8 | S2 N9 W14 V15 | S2-R17 PolarHBondContact O-NH1 2.75Å; N9-R17 PolarHBondContact OD1-NH1 2.99Å; N9-R17 VanDerWaalsContact OD1-NH1 3.1Å; N9-R17 PolarHBondContact OD1-NH2 2.9Å; W14-R17 PolarHBondContact O-N 2.89Å; V15-R17 PolarHBondContact O-N 3.42Å |
| 18 | F | 96.4 | Very high | 95.5 | Very high | 29 Ų | 29 | 58.7 Ų | 58.7 | 13% | 0.127 | 32% | 0.322 | C | S | . | . | trans | -128.8 | 83.4 | -178.2 | -51.8 | -79.8 | 0 | 0 | 0 | 108 | M1 Y3 W14 N20 A21 P199 P200 | M1-F18 HydrophobicContact CB-CE1 4.17Å; M1-F18 HydrophobicContact CB-CZ 3.78Å; M1-F18 HydrophobicContact SD-CE1 4.36Å; Y3-F18 HydrophobicContact CD1-CE2 4.33Å; Y3-F18 HydrophobicContact CD1-CZ 4.27Å; W14-F18 HydrophobicContact CB-CD2 4.44Å; W14-F18 WeakPolarHBondContact O-CD2 3.42Å; W14-F18 PolarHBondContact O-N 2.87Å; F18-N20 PolarHBondContact O-N 3.34Å; F18-A21 VanDerWaalsContact O-CB 3.23Å; F18-A21 WeakPolarHBondContact O-CB 3.33Å; F18-A21 PolarHBondContact O-N 3.08Å; F18-P199 HydrophobicContact CB-CB 4.31Å; F18-P199 HydrophobicContact CD1-CB 3.76Å; F18-P199 HydrophobicContact CD2-CB 3.53Å; F18-P199 HydrophobicContact CD2-CG 3.68Å; F18-P199 HydrophobicContact CE1-CB 3.83Å; F18-P199 HydrophobicContact CE2-CB 3.62Å; F18-P199 HydrophobicContact CE2-CG 3.84Å; F18-P199 HydrophobicContact CG-CB 3.6Å; F18-P199 HydrophobicContact CG-CG 4.16Å; F18-P199 HydrophobicContact CZ-CB 3.75Å; F18-P199 HydrophobicContact CZ-CG 4.43Å; F18-P200 HydrophobicContact CD1-CB 4.33Å | ||
| 19 | P | 96.6 | Very high | 96 | Very high | 99 Ų | 99 | 50.3 Ų | 50.3 | 64% | 0.643 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -54.3 | -31.4 | -171.5 | -30 | 36.8 | 0 | 0 | 0 | 114.5 | A21 G22 | P19-A21 PolarHBondContact O-N 3.39Å; P19-A21 VanDerWaalsContact O-N 3.09Å; P19-G22 PolarHBondContact O-N 2.82Å |
| 20 | N | 96.9 | Very high | 96.5 | Very high | 74 Ų | 74 | 51 Ų | 51 | 40% | 0.396 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -54 | -27.2 | 173.5 | -71.1 | -2.9 | 0 | 0 | 0 | 113.3 | F18 G22 G23 Q26 P200 C201 N202 | F18-N20 PolarHBondContact O-N 3.34Å; N20-G22 PolarHBondContact O-N 3.04Å; N20-G22 VanDerWaalsContact O-N 3.09Å; N20-G23 PolarHBondContact O-N 3.36Å; N20-Q26 PolarHBondContact O-NE2 2.97Å; N20-P200 WeakPolarHBondContact CB-O 3.39Å; N20-P200 PolarHBondContact ND2-O 2.74Å; N20-C201 HydrophobicContact CB-CB 4.23Å; N20-N202 PolarHBondContact ND2-OD1 2.83Å |
| 21 | A | 97.5 | Very high | 96.8 | Very high | 13 Ų | 13 | 51 Ų | 51 | 11% | 0.107 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -61.3 | -17.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | W14 V15 F18 P19 C201 R241 | W14-A21 HydrophobicContact CB-CB 4.07Å; V15-A21 HydrophobicContact CB-CB 4.23Å; F18-A21 VanDerWaalsContact O-CB 3.23Å; F18-A21 WeakPolarHBondContact O-CB 3.33Å; F18-A21 PolarHBondContact O-N 3.08Å; P19-A21 PolarHBondContact O-N 3.39Å; P19-A21 VanDerWaalsContact O-N 3.09Å; A21-C201 HydrophobicContact CB-CB 4.05Å; A21-R241 PolarHBondContact O-NH2 2.77Å; A21-R241 VanDerWaalsContact O-NH2 3.15Å |
| 22 | G | 96.5 | Very high | 96.8 | Very high | 56 Ų | 56 | 52.1 Ų | 52.1 | 58% | 0.577 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -96 | 14.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | P19 N20 | P19-G22 PolarHBondContact O-N 2.82Å; N20-G22 PolarHBondContact O-N 3.04Å; N20-G22 VanDerWaalsContact O-N 3.09Å |
| 23 | G | 96.8 | Very high | 96.8 | Very high | 32 Ų | 32 | 47 Ų | 47 | 33% | 0.33 | 27% | 0.273 | S | S | . | . | trans | -67.4 | 172.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | N20 Q26 E203 | N20-G23 PolarHBondContact O-N 3.36Å; G23-Q26 WeakPolarHBondContact O-CG 3.45Å; G23-E203 WeakPolarHBondContact CA-OE1 3.43Å | ||
| 24 | T | 97.2 | Very high | 96.7 | Very high | 106 Ų | 106 | 53.8 Ų | 53.8 | 65% | 0.65 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -11 | -173.8 | 62.6 | 0 | 0 | 0 | 0 | 114 | E203 | T24-E203 PolarHBondContact N-OE1 2.82Š|
| 25 | K | 97.7 | Very high | 96.5 | Very high | 87 Ų | 87 | 56.7 Ų | 56.7 | 38% | 0.378 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | 36.4 | -179.7 | -56 | -177.3 | -178.9 | 174.7 | 0 | 111.6 | G194 S195 E203 R249 | K25-G194 CarbonylContact O-C 3.59Å; K25-G194 WeakPolarHBondContact O-CA 3.42Å; K25-S195 PolarHBondContact O-N 2.68Å; K25-E203 WeakPolarHBondContact CA-OE1 3.39Å; K25-E203 HydrophobicContact CB-CB 4.39Å; K25-E203 HydrophobicContact CB-CG 4.2Å; K25-E203 PolarHBondContact N-OE1 3.45Å; K25-R249 VanDerWaalsContact CA-CZ 3.49Å; K25-R249 HydrophobicContact CG-CG 4.31Å; K25-R249 PolarHBondContact O-NH1 3.48Å; K25-R249 VanDerWaalsContact O-NH1 3.1Å |
| 26 | Q | 98.6 | Very high | 96.3 | Very high | 6 Ų | 6 | 54.6 Ų | 54.6 | 3% | 0.028 | 31% | 0.311 | C | S | . | . | trans | -68.9 | 151.7 | 179.1 | -68.9 | -65.3 | -69.5 | 0 | 0 | 113.2 | N20 G23 S195 C201 E203 C244 R249 | N20-Q26 PolarHBondContact O-NE2 2.97Å; G23-Q26 WeakPolarHBondContact O-CG 3.45Å; Q26-S195 WeakPolarHBondContact CA-OG 3.3Å; Q26-S195 PolarHBondContact NE2-OG 3.18Å; Q26-S195 PolarHBondContact OE1-OG 3.21Å; Q26-C201 PolarHBondContact NE2-O 3.47Å; Q26-E203 PolarHBondContact NE2-OE1 2.79Å; Q26-C244 HydrophobicContact CB-CB 3.76Å; Q26-R249 PolarHBondContact O-NH1 2.96Å; Q26-R249 PolarHBondContact O-NH2 3.21Å | ||
| 27 | S | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -122.4 | 155.6 | 176 | -67.2 | 0 | 0 | 0 | 0 | 110.5 | Y192 G194 S195 W207 R241 | S27-Y192 WeakPolarHBondContact CB-OH 3.43Å; S27-Y192 WeakPolarHBondContact OG-CE2 3.39Å; S27-Y192 PolarHBondContact OG-OH 3.1Å; S27-G194 WeakPolarHBondContact OG-CA 3.33Å; S27-S195 WeakPolarHBondContact CB-O 3.13Å; S27-S195 PolarHBondContact N-OG 2.66Å; S27-S195 PolarHBondContact OG-N 3.19Å; S27-W207 PolarHBondContact OG-NE1 3.2Å; S27-R241 WeakPolarHBondContact O-CD 3.43Å; S27-R241 PolarHBondContact O-NH1 3.41Å |
| 28 | P | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | cis | -78.2 | 175.3 | 0.8 | 35.7 | -39.7 | 0 | 0 | 0 | 112.8 | E101 T197 R241 C244 | P28-E101 HydrophobicContact CB-CB 3.79Å; P28-E101 VanDerWaalsContact CB-O 3.24Å; P28-E101 WeakPolarHBondContact CB-O 3.33Å; P28-E101 VanDerWaalsContact CG-C 3.48Å; P28-E101 HydrophobicContact CG-CB 3.7Å; P28-E101 HydrophobicContact CG-CG 4.4Å; P28-E101 WeakPolarHBondContact CG-O 3.34Å; P28-T197 HydrophobicContact CB-CG2 4.45Å; P28-R241 WeakPolarHBondContact CG-O 3.43Å; P28-C244 WeakPolarHBondContact O-CB 3.39Å; P28-C244 PolarHBondContact O-N 2.66Å | ||
| 29 | I | 98.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | trans | -131.8 | 161.8 | 174.1 | 63.2 | 173.4 | 0 | 0 | 0 | 111 | L31 Y192 I246 V251 | I29-L31 HydrophobicContact CD1-CD2 4.07Å; I29-L31 HydrophobicContact CG1-CD2 4.02Å; I29-Y192 HydrophobicContact CD1-CD1 4Å; I29-Y192 HydrophobicContact CD1-CD2 3.73Å; I29-Y192 HydrophobicContact CD1-CE1 3.99Å; I29-Y192 HydrophobicContact CD1-CE2 3.74Å; I29-Y192 HydrophobicContact CD1-CG 3.88Å; I29-Y192 HydrophobicContact CG1-CD2 4.48Å; I29-Y192 HydrophobicContact CG1-CE1 4.02Å; I29-Y192 HydrophobicContact CG1-CE2 4Å; I29-Y192 HydrophobicContact CG2-CE2 4.32Å; I29-I246 HydrophobicContact CD1-CD1 4.48Å; I29-I246 HydrophobicContact CD1-CG1 4.39Å; I29-V251 HydrophobicContact CD1-CG2 3.67Å | ||
| 30 | N | 98.2 | Very high | 96.3 | Very high | 47 Ų | 47 | 56.6 Ų | 56.6 | 25% | 0.251 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 118.9 | 164.6 | -179.1 | 37 | 0 | 0 | 0 | 110 | N32 M103 N105 G106 I243 | N30-N32 PolarHBondContact O-N 3.1Å; N30-M103 PolarHBondContact OD1-O 3Å; N30-N105 PolarHBondContact OD1-N 3.02Å; N30-G106 PolarHBondContact OD1-N 3.31Å; N30-I243 HydrophobicContact CB-CD1 4.1Å; N30-I243 HydrophobicContact CB-CG2 4.48Å |
| 31 | L | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 91.6 | 176.8 | -61.3 | 176.1 | 0 | 0 | 0 | 108.7 | I29 T33 M36 H102 M103 I104 N105 Y190 Y192 V209 V251 | I29-L31 HydrophobicContact CD1-CD2 4.07Å; I29-L31 HydrophobicContact CG1-CD2 4.02Å; L31-T33 PolarHBondContact O-N 2.81Å; L31-M36 HydrophobicContact CB-CE 3.49Å; L31-M36 VanDerWaalsContact CB-CE 3.49Å; L31-M36 HydrophobicContact CD2-CE 4.38Å; L31-M36 HydrophobicContact CG-CE 4.45Å; L31-H102 HydrophobicContact CD1-CB 4.45Å; L31-M103 VanDerWaalsContact CB-O 3.28Å; L31-M103 WeakPolarHBondContact CB-O 3.3Å; L31-M103 PolarHBondContact N-O 3.16Å; L31-I104 HydrophobicContact CB-CG1 4.33Å; L31-I104 HydrophobicContact CD1-CG1 4.29Å; L31-I104 WeakPolarHBondContact O-CA 3.49Å; L31-N105 PolarHBondContact O-N 3.14Å; L31-Y190 HydrophobicContact CD1-CD2 3.73Å; L31-Y190 HydrophobicContact CD1-CE2 4.4Å; L31-Y190 HydrophobicContact CD1-CG 4.22Å; L31-Y192 HydrophobicContact CD2-CD1 4.45Å; L31-Y192 HydrophobicContact CD2-CE1 4.47Å; L31-V209 HydrophobicContact CD1-CB 4.04Å; L31-V209 HydrophobicContact CD1-CG1 3.9Å; L31-V209 HydrophobicContact CD1-CG2 4.29Å; L31-V251 HydrophobicContact CD2-CG1 4.06Å; L31-V251 HydrophobicContact CD2-CG2 4.14Å |
| 32 | N | 96.3 | Very high | 96.3 | Very high | 53 Ų | 53 | 57.5 Ų | 57.5 | 28% | 0.283 | 32% | 0.319 | S | S | . | . | trans | -87.6 | 107.2 | 179.1 | -179.9 | -13.2 | 0 | 0 | 0 | 110.8 | N30 M34 S35 M36 N105 | N30-N32 PolarHBondContact O-N 3.1Å; N32-M34 PolarHBondContact O-N 3.19Å; N32-M34 WeakPolarHBondContact OD1-CB 3.47Å; N32-M34 PolarHBondContact OD1-N 2.92Å; N32-M34 VanDerWaalsContact OD1-N 3.08Å; N32-S35 PolarHBondContact O-N 2.87Å; N32-S35 PolarHBondContact O-OG 3.09Å; N32-M36 WeakPolarHBondContact O-CG 3.23Å; N32-M36 PolarHBondContact O-N 3.35Å; N32-N105 WeakPolarHBondContact CA-OD1 3.11Å | ||
| 33 | T | 91.9 | Very high | 96.4 | Very high | 31 Ų | 31 | 58.3 Ų | 58.3 | 19% | 0.19 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -61.3 | -28.7 | -173.6 | 62.2 | 0 | 0 | 0 | 0 | 113.3 | L31 S35 M36 I104 N105 V257 | L31-T33 PolarHBondContact O-N 2.81Å; T33-S35 VanDerWaalsContact C-N 3.25Å; T33-S35 PolarHBondContact O-N 2.92Å; T33-M36 HydrophobicContact CG2-CE 4.31Å; T33-M36 HydrophobicContact CG2-SD 4.43Å; T33-M36 PolarHBondContact O-N 2.82Å; T33-I104 HydrophobicContact CG2-CG2 3.99Å; T33-N105 WeakPolarHBondContact CG2-ND2 3.48Å; T33-N105 PolarHBondContact N-OD1 3.3Å; T33-N105 PolarHBondContact OG1-ND2 3Å; T33-N105 PolarHBondContact OG1-OD1 3.19Å; T33-V257 HydrophobicContact CG2-CG1 3.57Å |
| 34 | M | 92.7 | Very high | 96.4 | Very high | 167 Ų | 167 | 60.5 Ų | 60.5 | 82% | 0.823 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -71.3 | -19.2 | 177.3 | -61.5 | -173.3 | -68.5 | 0 | 0 | 113.6 | N32 | N32-M34 PolarHBondContact O-N 3.19Å; N32-M34 WeakPolarHBondContact OD1-CB 3.47Å; N32-M34 PolarHBondContact OD1-N 2.92Å; N32-M34 VanDerWaalsContact OD1-N 3.08Å |
| 35 | S | 92 | Very high | 96.5 | Very high | 64 Ų | 64 | 55.9 Ų | 55.9 | 45% | 0.448 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -102.4 | -5.8 | -178.3 | 68.6 | 0 | 0 | 0 | 0 | 113.7 | N32 T33 | N32-S35 PolarHBondContact O-N 2.87Å; N32-S35 PolarHBondContact O-OG 3.09Å; T33-S35 VanDerWaalsContact C-N 3.25Å; T33-S35 PolarHBondContact O-N 2.92Å |
| 36 | M | 93.9 | Very high | 96.4 | Very high | 23 Ų | 23 | 55.8 Ų | 55.8 | 11% | 0.113 | 30% | 0.296 | C | S | . | . | trans | -74.8 | 151.4 | -177 | -68 | 178.6 | -175.4 | 0 | 0 | 111.5 | L31 N32 T33 Y190 V251 C253 | L31-M36 HydrophobicContact CB-CE 3.49Å; L31-M36 VanDerWaalsContact CB-CE 3.49Å; L31-M36 HydrophobicContact CD2-CE 4.38Å; L31-M36 HydrophobicContact CG-CE 4.45Å; N32-M36 WeakPolarHBondContact O-CG 3.23Å; N32-M36 PolarHBondContact O-N 3.35Å; T33-M36 HydrophobicContact CG2-CE 4.31Å; T33-M36 HydrophobicContact CG2-SD 4.43Å; T33-M36 PolarHBondContact O-N 2.82Å; M36-Y190 HydrophobicContact CE-CD1 3.52Å; M36-Y190 HydrophobicContact CE-CE1 3.67Å; M36-Y190 HydrophobicContact CE-CG 4Å; M36-Y190 HydrophobicContact SD-CD1 3.26Å; M36-Y190 WeakPolarHBondContact SD-CD1 3.5Å; M36-Y190 HydrophobicContact SD-CE1 3.32Å; M36-Y190 WeakPolarHBondContact SD-CE1 3.22Å; M36-Y190 HydrophobicContact SD-CG 4.27Å; M36-V251 WeakPolarHBondContact CA-O 3.47Å; M36-V251 HydrophobicContact CE-CG1 4.04Å; M36-V251 HydrophobicContact CG-CB 4.06Å; M36-V251 HydrophobicContact CG-CG1 4Å; M36-V251 HydrophobicContact SD-CG1 4.25Å; M36-C253 HydrophobicContact SD-CB 4.26Å | ||
| 37 | R | 93.8 | Very high | 96.4 | Very high | 170 Ų | 170 | 56.1 Ų | 56.1 | 64% | 0.642 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 121.8 | 172.4 | -63.3 | -177.3 | -179.1 | -178.5 | -0.2 | 109 | D39 V251 R252 C253 | R37-D39 PolarHBondContact O-N 3.01Å; R37-V251 PolarHBondContact N-O 3.3Å; R37-R252 CarbonylContact O-C 3.57Å; R37-R252 VanDerWaalsContact O-CA 3.26Å; R37-R252 WeakPolarHBondContact O-CA 3.31Å; R37-C253 PolarHBondContact O-N 2.57Å |
| 38 | L | 96.6 | Very high | 96.2 | Very high | 68 Ų | 68 | 59 Ų | 59 | 36% | 0.356 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 127.1 | 163.9 | 179.6 | 69.3 | 0 | 0 | 0 | 108.2 | E40 F255 R256 | L38-E40 HydrophobicContact CD2-CG 3.98Å; L38-E40 HydrophobicContact CG-CG 4.13Å; L38-F255 WeakPolarHBondContact CD1-O 3.21Å; L38-R256 HydrophobicContact CD1-CG 4.35Å; L38-R256 HydrophobicContact CD2-CG 3.78Å |
| 39 | D | 97 | Very high | 96.1 | Very high | 35 Ų | 35 | 59.6 Ų | 59.6 | 19% | 0.187 | 32% | 0.317 | C | S | . | . | trans | -119.4 | 100 | 173.3 | -175.6 | -11.1 | 0 | 0 | 0 | 108.8 | R37 S41 L42 R252 C253 | R37-D39 PolarHBondContact O-N 3.01Å; D39-S41 PolarHBondContact O-N 2.85Å; D39-S41 VanDerWaalsContact OD1-CB 3.31Å; D39-S41 WeakPolarHBondContact OD1-CB 3.28Å; D39-S41 PolarHBondContact OD1-N 2.79Å; D39-S41 PolarHBondContact OD1-OG 3.34Å; D39-S41 PolarHBondContact OD2-OG 3.02Å; D39-L42 HydrophobicContact CB-CD1 3.86Å; D39-L42 HydrophobicContact CB-CG 3.89Å; D39-L42 WeakPolarHBondContact O-CB 3.37Å; D39-L42 PolarHBondContact O-N 3.04Å; D39-L42 VanDerWaalsContact O-N 3.12Å; D39-R252 HydrophobicContact CB-CB 4.14Å; D39-R252 HydrophobicContact CB-CG 4.43Å; D39-R252 VanDerWaalsContact OD2-CD 3.25Å; D39-R252 WeakPolarHBondContact OD2-CD 3.34Å; D39-R252 IonicContact OD2-CZ 3.8Å; D39-R252 IonicContact OD2-NE 3.64Å; D39-R252 IonicContact OD2-NH1 3.64Å; D39-R252 PolarHBondContact OD2-NH1 3.46Å; D39-C253 PolarHBondContact N-O 2.97Å | ||
| 40 | E | 95.8 | Very high | 95.6 | Very high | 155 Ų | 155 | 66.1 Ų | 66.1 | 72% | 0.724 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -9.6 | -178.2 | -60.6 | -174 | 160.9 | 0 | 0 | 113 | L38 L42 R256 | L38-E40 HydrophobicContact CD2-CG 3.98Å; L38-E40 HydrophobicContact CG-CG 4.13Å; E40-L42 VanDerWaalsContact C-N 3.32Å; E40-R256 IonicContact OE1-NH2 3.98Å |
| 41 | S | 96.6 | Very high | 95.4 | Very high | 89 Ų | 89 | 69.4 Ų | 69.4 | 62% | 0.622 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -12.7 | 173 | 75.4 | 0 | 0 | 0 | 0 | 113.4 | D39 T43 | D39-S41 PolarHBondContact O-N 2.85Å; D39-S41 VanDerWaalsContact OD1-CB 3.31Å; D39-S41 WeakPolarHBondContact OD1-CB 3.28Å; D39-S41 PolarHBondContact OD1-N 2.79Å; D39-S41 PolarHBondContact OD1-OG 3.34Å; D39-S41 PolarHBondContact OD2-OG 3.02Å; S41-T43 PolarHBondContact O-N 3.18Å |
| 42 | L | 97.8 | Very high | 95.2 | Very high | 18 Ų | 18 | 70.6 Ų | 70.6 | 9% | 0.094 | 37% | 0.372 | C | S | . | . | trans | -71.9 | 114.5 | 178 | -72.2 | 178.7 | 0 | 0 | 0 | 111 | D39 E40 P78 Y189 T191 R252 | D39-L42 HydrophobicContact CB-CD1 3.86Å; D39-L42 HydrophobicContact CB-CG 3.89Å; D39-L42 WeakPolarHBondContact O-CB 3.37Å; D39-L42 PolarHBondContact O-N 3.04Å; D39-L42 VanDerWaalsContact O-N 3.12Å; E40-L42 VanDerWaalsContact C-N 3.32Å; L42-P78 HydrophobicContact CD2-CB 3.9Å; L42-Y189 WeakPolarHBondContact CB-OH 3.26Å; L42-Y189 HydrophobicContact CD1-CE2 4.15Å; L42-Y189 HydrophobicContact CD2-CE2 4.41Å; L42-T191 HydrophobicContact CD1-CG2 3.9Å; L42-T191 HydrophobicContact CD2-CG2 4.22Å; L42-R252 HydrophobicContact CD1-CB 4.09Å | ||
| 43 | T | 97 | Very high | 95.2 | Very high | 72 Ų | 72 | 75.2 Ų | 75.2 | 44% | 0.442 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -81.3 | 165.2 | 172.2 | 57.8 | 0 | 0 | 0 | 0 | 111.1 | S41 G77 Y189 | S41-T43 PolarHBondContact O-N 3.18Å; T43-G77 WeakPolarHBondContact O-CA 3.48Å; T43-G77 PolarHBondContact OG1-N 2.69Å; T43-Y189 WeakPolarHBondContact O-CE1 3.4Å; T43-Y189 PolarHBondContact O-OH 3.22Å |
| 44 | P | 97.8 | Very high | 95.5 | Very high | 79 Ų | 79 | 75.3 Ų | 75.3 | 51% | 0.513 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 146.5 | 166.6 | -24.1 | 34.8 | 0 | 0 | 0 | 111.2 | G77 | P44-G77 PolarHBondContact O-N 2.66Š|
| 45 | I | 98.3 | Very high | 95.8 | Very high | 8 Ų | 8 | 67.3 Ų | 67.3 | 4% | 0.041 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 151.7 | 168.5 | 68.9 | 171.8 | 0 | 0 | 0 | 109.5 | V47 L74 S75 V138 L186 Y189 I208 L210 | I45-V47 HydrophobicContact CD1-CG2 4.28Å; I45-L74 HydrophobicContact CB-CD1 4.15Å; I45-L74 HydrophobicContact CD1-CD1 4.18Å; I45-S75 WeakPolarHBondContact CA-O 3.22Å; I45-V138 HydrophobicContact CD1-CG1 4.45Å; I45-V138 HydrophobicContact CD1-CG2 4.4Å; I45-L186 HydrophobicContact CG1-CB 3.85Å; I45-L186 WeakPolarHBondContact CG1-O 3.47Å; I45-L186 PolarHBondContact N-O 3.37Å; I45-Y189 HydrophobicContact CG2-CD1 4.15Å; I45-Y189 HydrophobicContact CG2-CE1 3.78Å; I45-I208 HydrophobicContact CD1-CG2 4.05Å; I45-I208 HydrophobicContact CG2-CD1 3.95Å; I45-I208 HydrophobicContact CG2-CG2 4.12Å; I45-L210 HydrophobicContact CD1-CD2 3.82Å |
| 46 | N | 97.5 | Very high | 96.1 | Very high | 86 Ų | 86 | 65 Ų | 65 | 46% | 0.46 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 131.8 | 169.8 | 178.5 | 66.5 | 0 | 0 | 0 | 109 | L74 S75 | N46-L74 WeakPolarHBondContact O-CA 3.4Å; N46-S75 PolarHBondContact N-O 3.41Å; N46-S75 PolarHBondContact O-N 3.46Å |
| 47 | V | 97 | Very high | 96.3 | Very high | 12 Ų | 12 | 63.9 Ų | 63.9 | 7% | 0.073 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 106.6 | 173.2 | -166.9 | 0 | 0 | 0 | 0 | 108 | I45 F49 V73 L74 F117 L182 L186 | I45-V47 HydrophobicContact CD1-CG2 4.28Å; V47-F49 HydrophobicContact CB-CZ 4.27Å; V47-F49 HydrophobicContact CG1-CD1 3.98Å; V47-F49 HydrophobicContact CG1-CD2 4.48Å; V47-F49 HydrophobicContact CG1-CE1 3.28Å; V47-F49 HydrophobicContact CG1-CE2 3.9Å; V47-F49 HydrophobicContact CG1-CZ 3.25Å; V47-V73 WeakPolarHBondContact CA-O 3.29Å; V47-L74 HydrophobicContact CG2-CD1 3.79Å; V47-F117 HydrophobicContact CG1-CE1 4.09Å; V47-F117 HydrophobicContact CG1-CZ 3.86Å; V47-L182 HydrophobicContact CB-CD1 4.11Å; V47-L182 HydrophobicContact CG2-CD1 4.35Å; V47-L186 HydrophobicContact CG2-CD1 4.49Å |
| 48 | D | 95.8 | Very high | 96.5 | Very high | 61 Ų | 61 | 57.9 Ų | 57.9 | 33% | 0.326 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 119 | 178.2 | -169 | -16.5 | 0 | 0 | 0 | 109.8 | N50 A72 V73 | D48-N50 WeakPolarHBondContact OD1-CB 3.37Å; D48-N50 PolarHBondContact OD1-N 3.25Å; D48-N50 PolarHBondContact OD1-ND2 2.96Å; D48-A72 CarbonylContact O-C 3.57Å; D48-A72 WeakPolarHBondContact O-CA 3.49Å; D48-V73 PolarHBondContact N-O 2.82Å; D48-V73 PolarHBondContact O-N 3.1Å |
| 49 | F | 95.5 | Very high | 96.5 | Very high | 13 Ų | 13 | 55 Ų | 55 | 6% | 0.057 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 8.2 | 176.9 | -62.5 | -47.4 | 0 | 0 | 0 | 113.5 | V47 E51 L52 A72 L85 L178 L182 | V47-F49 HydrophobicContact CB-CZ 4.27Å; V47-F49 HydrophobicContact CG1-CD1 3.98Å; V47-F49 HydrophobicContact CG1-CD2 4.48Å; V47-F49 HydrophobicContact CG1-CE1 3.28Å; V47-F49 HydrophobicContact CG1-CE2 3.9Å; V47-F49 HydrophobicContact CG1-CZ 3.25Å; F49-E51 VanDerWaalsContact C-N 3.33Å; F49-E51 PolarHBondContact O-N 2.98Å; F49-L52 HydrophobicContact CB-CD1 3.87Å; F49-L52 HydrophobicContact CB-CG 4.29Å; F49-L52 HydrophobicContact CD1-CD1 4.26Å; F49-L52 HydrophobicContact CG-CD1 4.33Å; F49-L52 VanDerWaalsContact O-CG 3.26Å; F49-L52 WeakPolarHBondContact O-CG 3.22Å; F49-L52 PolarHBondContact O-N 3.25Å; F49-A72 HydrophobicContact CD1-CB 3.84Å; F49-A72 HydrophobicContact CE1-CB 4.46Å; F49-L85 HydrophobicContact CD1-CD2 4.4Å; F49-L85 HydrophobicContact CE1-CD2 3.82Å; F49-L178 HydrophobicContact CD1-CB 4.36Å; F49-L178 HydrophobicContact CD1-CD1 4.22Å; F49-L178 HydrophobicContact CD2-CB 3.74Å; F49-L178 HydrophobicContact CE1-CB 4.25Å; F49-L178 HydrophobicContact CE1-CD1 4.11Å; F49-L178 HydrophobicContact CE2-CB 3.58Å; F49-L178 HydrophobicContact CG-CB 4.12Å; F49-L178 HydrophobicContact CZ-CB 3.85Å; F49-L178 HydrophobicContact CZ-CD1 4.42Å; F49-L182 HydrophobicContact CE2-CD1 3.6Å; F49-L182 HydrophobicContact CE2-CG 4.08Å; F49-L182 HydrophobicContact CZ-CD1 4.13Å |
| 50 | N | 89.8 | Confident | 96.4 | Very high | 138 Ų | 138 | 57.7 Ų | 57.7 | 74% | 0.738 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.5 | -29.1 | -169.1 | -68 | -45.9 | 0 | 0 | 0 | 113.7 | D48 | D48-N50 WeakPolarHBondContact OD1-CB 3.37Å; D48-N50 PolarHBondContact OD1-N 3.25Å; D48-N50 PolarHBondContact OD1-ND2 2.96Å |
| 51 | E | 92.9 | Very high | 96 | Very high | 116 Ų | 116 | 55.1 Ų | 55.1 | 54% | 0.542 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 26.3 | -177.8 | -63.3 | -173.6 | 161.3 | 0 | 0 | 113 | F49 G70 N71 | F49-E51 VanDerWaalsContact C-N 3.33Å; F49-E51 PolarHBondContact O-N 2.98Å; E51-G70 CarbonylContact O-C 3.55Å; E51-G70 WeakPolarHBondContact O-CA 3.49Å; E51-N71 CarbonylContact C-O 3.32Å; E51-N71 HydrophobicContact CB-CB 3.79Å; E51-N71 WeakPolarHBondContact CB-O 3.22Å; E51-N71 PolarHBondContact O-N 3.27Å; E51-N71 VanDerWaalsContact OE2-CB 3.27Å; E51-N71 WeakPolarHBondContact OE2-CB 3.13Å; E51-N71 PolarHBondContact OE2-ND2 3.36Å |
| 52 | L | 94.3 | Very high | 95.6 | Very high | 25 Ų | 25 | 53.4 Ų | 53.4 | 13% | 0.131 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 137.7 | 170.5 | -72.4 | -178.6 | 0 | 0 | 0 | 111.5 | F49 V68 A72 M175 L178 | F49-L52 HydrophobicContact CB-CD1 3.87Å; F49-L52 HydrophobicContact CB-CG 4.29Å; F49-L52 HydrophobicContact CD1-CD1 4.26Å; F49-L52 HydrophobicContact CG-CD1 4.33Å; F49-L52 VanDerWaalsContact O-CG 3.26Å; F49-L52 WeakPolarHBondContact O-CG 3.22Å; F49-L52 PolarHBondContact O-N 3.25Å; L52-V68 HydrophobicContact CD2-CG1 3.18Å; L52-V68 HydrophobicContact CG-CG1 4.5Å; L52-A72 HydrophobicContact CD2-CB 3.4Å; L52-A72 VanDerWaalsContact CD2-CB 3.4Å; L52-A72 HydrophobicContact CG-CB 4.12Å; L52-M175 HydrophobicContact CB-CE 4.21Å; L52-M175 HydrophobicContact CB-SD 4.44Å; L52-L178 HydrophobicContact CD1-CD1 3.81Å; L52-L178 HydrophobicContact CD1-CG 4.2Å |
| 53 | Q | 95.8 | Very high | 95.4 | Very high | 150 Ų | 150 | 54.5 Ų | 54.5 | 70% | 0.701 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.4 | -39.5 | -175.7 | -69.1 | 178.7 | -7.7 | 0 | 0 | 113.2 | K69 | Q53-K69 PolarHBondContact N-O 2.93Å |
| 54 | N | 97.5 | Very high | 95.4 | Very high | 32 Ų | 32 | 51.1 Ų | 51.1 | 17% | 0.171 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 154.8 | 178.6 | -167.1 | 50.6 | 0 | 0 | 0 | 111.6 | T56 K69 D171 Q173 | N54-T56 PolarHBondContact ND2-OG1 3.11Å; N54-T56 VanDerWaalsContact ND2-OG1 3.1Å; N54-K69 HydrophobicContact CB-CB 4.19Å; N54-K69 PolarHBondContact N-O 3.48Å; N54-K69 PolarHBondContact O-N 2.86Å; N54-D171 PolarHBondContact ND2-OD1 3.05Å; N54-Q173 PolarHBondContact OD1-NE2 3.11Å |
| 55 | Q | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 132.1 | 170.4 | -67.6 | 171.4 | -8.9 | 0 | 0 | 109.1 | V66 E67 V68 I172 M175 L176 | Q55-V66 HydrophobicContact CB-CG1 4Å; Q55-V66 HydrophobicContact CG-CG1 4.44Å; Q55-E67 CarbonylContact C-O 3.54Å; Q55-E67 VanDerWaalsContact CA-O 3.28Å; Q55-E67 WeakPolarHBondContact CA-O 2.88Å; Q55-V68 HydrophobicContact CG-CG2 4.47Å; Q55-I172 HydrophobicContact CB-CB 4.13Å; Q55-I172 HydrophobicContact CB-CD1 4.16Å; Q55-I172 HydrophobicContact CB-CG1 4.37Å; Q55-I172 PolarHBondContact O-N 3.01Å; Q55-M175 HydrophobicContact CG-CG 4.32Å; Q55-M175 HydrophobicContact CG-SD 4.19Å; Q55-L176 PolarHBondContact NE2-O 3.04Å; Q55-L176 VanDerWaalsContact OE1-CB 3.3Å |
| 56 | T | 98.6 | Very high | 95.5 | Very high | 14 Ų | 14 | 47.6 Ų | 47.6 | 9% | 0.086 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 118.1 | 178.6 | -52.7 | 0 | 0 | 0 | 0 | 109.1 | N54 H58 V66 E67 D171 | N54-T56 PolarHBondContact ND2-OG1 3.11Å; N54-T56 VanDerWaalsContact ND2-OG1 3.1Å; T56-H58 PolarHBondContact O-CD2 3.34Å; T56-V66 CarbonylContact O-C 3.58Å; T56-V66 WeakPolarHBondContact O-CA 3.46Å; T56-E67 PolarHBondContact N-O 3.37Å; T56-E67 PolarHBondContact O-N 3.23Å; T56-D171 PolarHBondContact OG1-OD1 3.38Å |
| 57 | L | 98.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 127.7 | 172.3 | 174 | 62.4 | 0 | 0 | 0 | 109 | V59 F64 V66 L157 L160 L161 S169 K170 I172 | L57-V59 HydrophobicContact CD1-CG2 4.31Å; L57-V59 HydrophobicContact CD2-CG2 3.87Å; L57-V59 HydrophobicContact CG-CG2 3.88Å; L57-F64 HydrophobicContact CD1-CB 3.97Å; L57-F64 HydrophobicContact CD1-CD2 3.86Å; L57-F64 HydrophobicContact CD1-CG 4.21Å; L57-V66 HydrophobicContact CD1-CG2 4.01Å; L57-L157 HydrophobicContact CD1-CD1 4.06Å; L57-L160 HydrophobicContact CD2-CB 3.74Å; L57-L161 HydrophobicContact CD1-CD2 4.08Å; L57-L161 HydrophobicContact CD2-CD2 4.26Å; L57-S169 CarbonylContact O-C 3.55Å; L57-S169 WeakPolarHBondContact O-CA 3.34Å; L57-K170 PolarHBondContact N-O 3.11Å; L57-K170 PolarHBondContact O-N 3.41Å; L57-I172 HydrophobicContact CB-CD1 3.97Å; L57-I172 HydrophobicContact CB-CG1 4.06Å |
| 58 | H | 98.3 | Very high | 95.5 | Very high | 43 Ų | 43 | 46.8 Ų | 46.8 | 20% | 0.199 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 110.2 | 169 | -55.4 | -80.7 | 0 | 0 | 0 | 108.9 | T56 F64 S65 E67 S169 | T56-H58 PolarHBondContact O-CD2 3.34Å; H58-F64 WeakPolarHBondContact O-CA 3.42Å; H58-F64 WeakPolarHBondContact O-CB 3.48Å; H58-S65 PolarHBondContact N-O 3.16Å; H58-S65 PolarHBondContact O-N 3.03Å; H58-E67 IonicContact CE1-OE2 3.91Å; H58-E67 WeakPolarHBondContact NE2-CB 2.91Å; H58-E67 IonicContact NE2-OE2 3.36Å; H58-E67 PolarHBondContact NE2-OE2 2.83Å; H58-S169 WeakPolarHBondContact ND1-CB 3.37Å; H58-S169 PolarHBondContact ND1-OG 3.24Å |
| 59 | V | 97.2 | Very high | 95.5 | Very high | 8 Ų | 8 | 49 Ų | 49 | 5% | 0.048 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 118.5 | 176.3 | -175.2 | 0 | 0 | 0 | 0 | 108.5 | L57 L161 T164 G167 E168 M227 | L57-V59 HydrophobicContact CD1-CG2 4.31Å; L57-V59 HydrophobicContact CD2-CG2 3.87Å; L57-V59 HydrophobicContact CG-CG2 3.88Å; V59-L161 HydrophobicContact CG2-CD2 4.18Å; V59-T164 HydrophobicContact CB-CG2 4.37Å; V59-T164 HydrophobicContact CG2-CG2 3.62Å; V59-G167 WeakPolarHBondContact O-CA 3.21Å; V59-G167 PolarHBondContact O-N 3.11Å; V59-E168 PolarHBondContact N-O 3.21Å; V59-M227 HydrophobicContact CG1-CE 3.97Å |
| 60 | K | 93.3 | Very high | 95.4 | Very high | 91 Ų | 91 | 48.8 Ų | 48.8 | 40% | 0.396 | 24% | 0.242 | S | C | . | . | trans | -102.2 | -173.7 | 178.3 | -59.5 | 157.8 | 179.9 | 171.9 | 0 | 108.8 | H62 N63 S65 | K60-H62 PolarHBondContact O-N 3.15Å; K60-N63 CarbonylContact C-O 3.55Å; K60-N63 WeakPolarHBondContact CA-O 3.37Å; K60-N63 WeakPolarHBondContact CB-O 3.37Å; K60-N63 VanDerWaalsContact CB-OD1 3.23Å; K60-N63 WeakPolarHBondContact CB-OD1 3.22Å; K60-N63 WeakPolarHBondContact CD-OD1 3.45Å; K60-N63 PolarHBondContact N-O 3.06Å; K60-S65 WeakPolarHBondContact CE-OG 3.09Å; K60-S65 PolarHBondContact NZ-OG 2.92Å | ||
| 61 | D | 88 | Confident | 95.5 | Very high | 101 Ų | 101 | 45.2 Ų | 45.2 | 54% | 0.54 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -64.8 | -40.2 | -173.4 | -68.4 | -31.8 | 0 | 0 | 0 | 113.6 | K166 | D61-K166 WeakPolarHBondContact O-CD 3.35Å; D61-K166 WeakPolarHBondContact O-CE 3.36Å; D61-K166 PolarHBondContact O-NZ 2.87Å |
| 62 | H | 88.5 | Confident | 95.6 | Very high | 53 Ų | 53 | 39.7 Ų | 39.7 | 25% | 0.245 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -137.9 | 8.8 | -171.4 | -54.7 | -42.6 | 0 | 0 | 0 | 113 | K60 H228 C231 C234 | K60-H62 PolarHBondContact O-N 3.15Å; H62-H228 PolarHBondContact O-NE2 2.99Å; H62-C231 PolarHBondContact CE1-SG 3.19Å; H62-C234 PolarHBondContact CE1-SG 2.97Å; H62-C234 PolarHBondContact ND1-SG 3.06Å; H62-C234 VanDerWaalsContact ND1-SG 3.44Å |
| 63 | N | 93.4 | Very high | 95.7 | Very high | 41 Ų | 41 | 39.2 Ų | 39.2 | 22% | 0.219 | 20% | 0.195 | C | C | . | . | trans | -157.2 | -176.1 | 175.3 | 59.3 | 29 | 0 | 0 | 0 | 110.1 | K60 W92 M227 | K60-N63 CarbonylContact C-O 3.55Å; K60-N63 WeakPolarHBondContact CA-O 3.37Å; K60-N63 WeakPolarHBondContact CB-O 3.37Å; K60-N63 VanDerWaalsContact CB-OD1 3.23Å; K60-N63 WeakPolarHBondContact CB-OD1 3.22Å; K60-N63 WeakPolarHBondContact CD-OD1 3.45Å; K60-N63 PolarHBondContact N-O 3.06Å; N63-W92 HydrophobicContact CB-CH2 4.3Å; N63-M227 WeakPolarHBondContact O-CE 3.38Å | ||
| 64 | F | 97.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.009 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 168.4 | 170.9 | 67.2 | -83.8 | 0 | 0 | 0 | 109.4 | L57 H58 V66 H89 L90 W92 L157 L161 L224 M227 | L57-F64 HydrophobicContact CD1-CB 3.97Å; L57-F64 HydrophobicContact CD1-CD2 3.86Å; L57-F64 HydrophobicContact CD1-CG 4.21Å; H58-F64 WeakPolarHBondContact O-CA 3.42Å; H58-F64 WeakPolarHBondContact O-CB 3.48Å; F64-V66 HydrophobicContact CD2-CG2 4.27Å; F64-V66 HydrophobicContact CE2-CG2 4.33Å; F64-H89 WeakPolarHBondContact O-CB 2.93Å; F64-L90 HydrophobicContact CE1-CB 4.33Å; F64-L90 HydrophobicContact CE2-CD1 4.36Å; F64-L90 HydrophobicContact CZ-CB 4.18Å; F64-L90 HydrophobicContact CZ-CD1 3.68Å; F64-L90 HydrophobicContact CZ-CG 4.41Å; F64-W92 HydrophobicContact CD1-CH2 4.39Å; F64-W92 HydrophobicContact CD1-CZ3 4.35Å; F64-W92 HydrophobicContact CE1-CH2 4.45Å; F64-W92 HydrophobicContact CE1-CZ3 4.03Å; F64-L157 HydrophobicContact CD2-CD1 4.37Å; F64-L157 HydrophobicContact CE2-CD1 4.05Å; F64-L157 HydrophobicContact CE2-CD2 3.64Å; F64-L157 HydrophobicContact CE2-CG 4.25Å; F64-L157 HydrophobicContact CZ-CD2 3.63Å; F64-L157 HydrophobicContact CZ-CG 4.34Å; F64-L161 HydrophobicContact CB-CD2 3.86Å; F64-L161 HydrophobicContact CD1-CD1 3.95Å; F64-L161 HydrophobicContact CD1-CD2 3.84Å; F64-L161 HydrophobicContact CD2-CD2 4.47Å; F64-L161 HydrophobicContact CE1-CD1 3.87Å; F64-L161 HydrophobicContact CG-CD2 3.79Å; F64-L161 HydrophobicContact CZ-CD1 4.38Å; F64-L224 HydrophobicContact CE1-CD2 3.86Å; F64-M227 HydrophobicContact CB-CE 4.12Å; F64-M227 HydrophobicContact CD1-CE 4.22Å; F64-M227 HydrophobicContact CD1-SD 3.75Å; F64-M227 HydrophobicContact CE1-SD 4.47Å |
| 65 | S | 98.3 | Very high | 95.8 | Very high | 13 Ų | 13 | 32.1 Ų | 32.1 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 148.3 | 162 | 48.6 | 0 | 0 | 0 | 0 | 108.7 | H58 K60 F88 | H58-S65 PolarHBondContact N-O 3.16Å; H58-S65 PolarHBondContact O-N 3.03Å; K60-S65 WeakPolarHBondContact CE-OG 3.09Å; K60-S65 PolarHBondContact NZ-OG 2.92Å; S65-F88 WeakPolarHBondContact CA-O 3.28Å |
| 66 | V | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 110.2 | 169.3 | 178.8 | 0 | 0 | 0 | 0 | 107.4 | Q55 T56 L57 F64 Q87 F88 L157 I172 | Q55-V66 HydrophobicContact CB-CG1 4Å; Q55-V66 HydrophobicContact CG-CG1 4.44Å; T56-V66 CarbonylContact O-C 3.58Å; T56-V66 WeakPolarHBondContact O-CA 3.46Å; L57-V66 HydrophobicContact CD1-CG2 4.01Å; F64-V66 HydrophobicContact CD2-CG2 4.27Å; F64-V66 HydrophobicContact CE2-CG2 4.33Å; V66-Q87 CarbonylContact O-C 3.41Å; V66-Q87 WeakPolarHBondContact O-CA 3.14Å; V66-Q87 WeakPolarHBondContact O-CB 3.19Å; V66-F88 HydrophobicContact CB-CD1 3.95Å; V66-F88 HydrophobicContact CB-CD2 4.47Å; V66-F88 HydrophobicContact CB-CE1 3.44Å; V66-F88 VanDerWaalsContact CB-CE1 3.44Å; V66-F88 HydrophobicContact CB-CE2 4.02Å; V66-F88 HydrophobicContact CB-CG 4.45Å; V66-F88 HydrophobicContact CB-CZ 3.48Å; V66-F88 VanDerWaalsContact CB-CZ 3.48Å; V66-F88 HydrophobicContact CG1-CD1 4.32Å; V66-F88 HydrophobicContact CG1-CE1 3.54Å; V66-F88 HydrophobicContact CG1-CZ 3.82Å; V66-F88 HydrophobicContact CG2-CE1 4.06Å; V66-F88 HydrophobicContact CG2-CE2 3.85Å; V66-F88 HydrophobicContact CG2-CZ 3.54Å; V66-F88 PolarHBondContact N-O 3.41Å; V66-F88 PolarHBondContact O-N 3.15Å; V66-L157 HydrophobicContact CG2-CD1 3.94Å; V66-I172 HydrophobicContact CG1-CD1 3.83Å; V66-I172 HydrophobicContact CG2-CD1 4.18Å |
| 67 | E | 98.3 | Very high | 95.8 | Very high | 70 Ų | 70 | 33.2 Ų | 33.2 | 33% | 0.327 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 141.2 | 170.4 | -176.1 | -171.8 | 150.6 | 0 | 0 | 109 | Q55 T56 H58 K69 | Q55-E67 CarbonylContact C-O 3.54Å; Q55-E67 VanDerWaalsContact CA-O 3.28Å; Q55-E67 WeakPolarHBondContact CA-O 2.88Å; T56-E67 PolarHBondContact N-O 3.37Å; T56-E67 PolarHBondContact O-N 3.23Å; H58-E67 IonicContact CE1-OE2 3.91Å; H58-E67 WeakPolarHBondContact NE2-CB 2.91Å; H58-E67 IonicContact NE2-OE2 3.36Å; H58-E67 PolarHBondContact NE2-OE2 2.83Å; E67-K69 WeakPolarHBondContact OE1-CE 3.44Å; E67-K69 IonicContact OE1-NZ 3.74Å |
| 68 | V | 97.5 | Very high | 95.7 | Very high | 11 Ų | 11 | 34.4 Ų | 34.4 | 7% | 0.067 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 131.3 | -178.2 | -179 | 0 | 0 | 0 | 0 | 110.2 | L52 Q55 L85 T86 F88 | L52-V68 HydrophobicContact CD2-CG1 3.18Å; L52-V68 HydrophobicContact CG-CG1 4.5Å; Q55-V68 HydrophobicContact CG-CG2 4.47Å; V68-L85 HydrophobicContact CB-CD2 4.24Å; V68-L85 HydrophobicContact CB-CG 4.19Å; V68-L85 HydrophobicContact CG1-CD2 4.06Å; V68-L85 HydrophobicContact CG1-CG 4.31Å; V68-L85 HydrophobicContact CG2-CD2 3.96Å; V68-L85 HydrophobicContact CG2-CG 4.23Å; V68-T86 PolarHBondContact N-O 2.93Å; V68-F88 HydrophobicContact CG2-CD1 4.25Å; V68-F88 HydrophobicContact CG2-CE1 4.44Å |
| 69 | K | 96.1 | Very high | 95.7 | Very high | 106 Ų | 106 | 33.4 Ų | 33.4 | 46% | 0.461 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 157.4 | 173 | -59.5 | -175.1 | -179 | 176.4 | 0 | 110.4 | Q53 N54 E67 | Q53-K69 PolarHBondContact N-O 2.93Å; N54-K69 HydrophobicContact CB-CB 4.19Å; N54-K69 PolarHBondContact N-O 3.48Å; N54-K69 PolarHBondContact O-N 2.86Å; E67-K69 WeakPolarHBondContact OE1-CE 3.44Å; E67-K69 IonicContact OE1-NZ 3.74Å |
| 70 | G | 93.2 | Very high | 95.6 | Very high | 10 Ų | 10 | 39 Ų | 39 | 10% | 0.103 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 108.1 | -163.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | E51 K84 | E51-G70 CarbonylContact O-C 3.55Å; E51-G70 WeakPolarHBondContact O-CA 3.49Å; G70-K84 WeakPolarHBondContact O-CE 3.24Å; G70-K84 PolarHBondContact O-NZ 3.2Å |
| 71 | N | 90.6 | Very high | 95.8 | Very high | 62 Ų | 62 | 35.8 Ų | 35.8 | 33% | 0.332 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 98.5 | 178.3 | -171.1 | 39.9 | 0 | 0 | 0 | 109.1 | E51 V73 | E51-N71 CarbonylContact C-O 3.32Å; E51-N71 HydrophobicContact CB-CB 3.79Å; E51-N71 WeakPolarHBondContact CB-O 3.22Å; E51-N71 PolarHBondContact O-N 3.27Å; E51-N71 VanDerWaalsContact OE2-CB 3.27Å; E51-N71 WeakPolarHBondContact OE2-CB 3.13Å; E51-N71 PolarHBondContact OE2-ND2 3.36Å; N71-V73 WeakPolarHBondContact OD1-CG2 3.44Å |
| 72 | A | 95.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 111.5 | 172 | 0 | 0 | 0 | 0 | 0 | 108.6 | D48 F49 L52 K84 L85 | D48-A72 CarbonylContact O-C 3.57Å; D48-A72 WeakPolarHBondContact O-CA 3.49Å; F49-A72 HydrophobicContact CD1-CB 3.84Å; F49-A72 HydrophobicContact CE1-CB 4.46Å; L52-A72 HydrophobicContact CD2-CB 3.4Å; L52-A72 VanDerWaalsContact CD2-CB 3.4Å; L52-A72 HydrophobicContact CG-CB 4.12Å; A72-K84 CarbonylContact O-C 3.58Å; A72-K84 WeakPolarHBondContact O-CA 3.15Å; A72-L85 HydrophobicContact CB-CB 3.78Å; A72-L85 HydrophobicContact CB-CD2 4.36Å; A72-L85 PolarHBondContact O-N 3.11Å |
| 73 | V | 96.7 | Very high | 96.6 | Very high | 15 Ų | 15 | 33.9 Ų | 33.9 | 9% | 0.091 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 129 | -165.4 | 180 | 0 | 0 | 0 | 0 | 110.6 | V47 D48 N71 E82 Y83 | V47-V73 WeakPolarHBondContact CA-O 3.29Å; D48-V73 PolarHBondContact N-O 2.82Å; D48-V73 PolarHBondContact O-N 3.1Å; N71-V73 WeakPolarHBondContact OD1-CG2 3.44Å; V73-E82 HydrophobicContact CG1-CB 3.8Å; V73-E82 HydrophobicContact CG1-CG 3.91Å; V73-Y83 CarbonylContact C-O 3.46Å; V73-Y83 WeakPolarHBondContact CA-O 3.38Å |
| 74 | L | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 129.4 | 165 | 172.1 | 70.2 | 0 | 0 | 0 | 109 | I45 N46 V47 L79 Y83 F117 S136 V138 I208 | I45-L74 HydrophobicContact CB-CD1 4.15Å; I45-L74 HydrophobicContact CD1-CD1 4.18Å; N46-L74 WeakPolarHBondContact O-CA 3.4Å; V47-L74 HydrophobicContact CG2-CD1 3.79Å; L74-L79 HydrophobicContact CD1-CD1 4.41Å; L74-L79 HydrophobicContact CD2-CD1 3.66Å; L74-L79 HydrophobicContact CG-CD1 3.57Å; L74-Y83 PolarHBondContact N-O 3.09Å; L74-Y83 PolarHBondContact O-N 3.09Å; L74-F117 HydrophobicContact CB-CD1 3.41Å; L74-F117 VanDerWaalsContact CB-CD1 3.41Å; L74-F117 HydrophobicContact CB-CD2 4.3Å; L74-F117 HydrophobicContact CB-CE1 3.52Å; L74-F117 HydrophobicContact CB-CE2 4.36Å; L74-F117 HydrophobicContact CB-CG 3.86Å; L74-F117 HydrophobicContact CB-CZ 4.02Å; L74-F117 HydrophobicContact CD2-CB 4.36Å; L74-F117 HydrophobicContact CD2-CD1 4.35Å; L74-F117 HydrophobicContact CD2-CD2 3.78Å; L74-F117 HydrophobicContact CD2-CE2 4.11Å; L74-F117 HydrophobicContact CD2-CG 3.93Å; L74-S136 VanDerWaalsContact CD2-OG 3.28Å; L74-S136 WeakPolarHBondContact CD2-OG 3.43Å; L74-V138 HydrophobicContact CD1-CG2 4.07Å; L74-V138 HydrophobicContact CD2-CG2 3.79Å; L74-I208 HydrophobicContact CD2-CD1 4.37Å |
| 75 | S | 97.8 | Very high | 96.8 | Very high | 33 Ų | 33 | 35.7 Ų | 35.7 | 23% | 0.231 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 173.9 | 175.9 | 64.7 | 0 | 0 | 0 | 0 | 111.4 | I45 N46 | I45-S75 WeakPolarHBondContact CA-O 3.22Å; N46-S75 PolarHBondContact N-O 3.41Å; N46-S75 PolarHBondContact O-N 3.46Å |
| 76 | G | 97.7 | Very high | 96.8 | Very high | 24 Ų | 24 | 36.6 Ų | 36.6 | 25% | 0.247 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 77.9 | -166.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L79 | G76-L79 WeakPolarHBondContact O-CB 3.46Å; G76-L79 PolarHBondContact O-N 2.73Å; G76-L79 VanDerWaalsContact O-N 3.15Å |
| 77 | G | 98.1 | Very high | 96.7 | Very high | 13 Ų | 13 | 38.9 Ų | 38.9 | 13% | 0.134 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | -124.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | T43 P44 L79 Y189 | T43-G77 WeakPolarHBondContact O-CA 3.48Å; T43-G77 PolarHBondContact OG1-N 2.69Å; P44-G77 PolarHBondContact O-N 2.66Å; G77-L79 VanDerWaalsContact C-N 3.25Å; G77-L79 PolarHBondContact O-N 2.97Å; G77-Y189 WeakPolarHBondContact CA-OH 3.15Å |
| 78 | P | 98 | Very high | 96.7 | Very high | 25 Ų | 25 | 35.6 Ų | 35.6 | 16% | 0.162 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -2.2 | -177.4 | 35 | -36.9 | 0 | 0 | 0 | 113.8 | L42 T191 T206 I208 | L42-P78 HydrophobicContact CD2-CB 3.9Å; P78-T191 HydrophobicContact CB-CG2 4.03Å; P78-T191 HydrophobicContact CG-CG2 4.26Å; P78-T191 WeakPolarHBondContact CG-OG1 3.17Å; P78-T206 HydrophobicContact CB-CG2 4.42Å; P78-T206 HydrophobicContact CG-CG2 4.06Å; P78-I208 HydrophobicContact CG-CD1 3.76Å; P78-I208 HydrophobicContact CG-CG1 3.88Å |
| 79 | L | 98 | Very high | 96.8 | Very high | 22 Ų | 22 | 36.5 Ų | 36.5 | 12% | 0.115 | 20% | 0.203 | C | C | . | . | trans | -90 | 133.3 | -167.1 | -53 | 176.6 | 0 | 0 | 0 | 111.4 | L74 G76 G77 Y83 T206 I208 | L74-L79 HydrophobicContact CD1-CD1 4.41Å; L74-L79 HydrophobicContact CD2-CD1 3.66Å; L74-L79 HydrophobicContact CG-CD1 3.57Å; G76-L79 WeakPolarHBondContact O-CB 3.46Å; G76-L79 PolarHBondContact O-N 2.73Å; G76-L79 VanDerWaalsContact O-N 3.15Å; G77-L79 VanDerWaalsContact C-N 3.25Å; G77-L79 PolarHBondContact O-N 2.97Å; L79-Y83 HydrophobicContact CB-CD2 4.44Å; L79-Y83 HydrophobicContact CB-CE2 4.2Å; L79-Y83 HydrophobicContact CD1-CD2 3.9Å; L79-Y83 HydrophobicContact CD1-CE2 4.29Å; L79-Y83 HydrophobicContact CD2-CD2 4.24Å; L79-Y83 HydrophobicContact CD2-CE2 3.84Å; L79-Y83 HydrophobicContact CG-CD2 4.42Å; L79-Y83 HydrophobicContact CG-CE2 4.33Å; L79-T206 HydrophobicContact CD2-CG2 3.99Å; L79-I208 HydrophobicContact CD1-CD1 4.19Å; L79-I208 HydrophobicContact CD2-CD1 4.37Å; L79-I208 HydrophobicContact CG-CD1 4.23Å | ||
| 80 | T | 95.2 | Very high | 96.9 | Very high | 125 Ų | 125 | 31.6 Ų | 31.6 | 77% | 0.767 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -96.7 | 4.8 | 175 | 57.4 | 0 | 0 | 0 | 0 | 112.8 | ||
| 81 | S | 96.3 | Very high | 97.1 | Very high | 25 Ų | 25 | 31.4 Ų | 31.4 | 18% | 0.175 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -151.2 | 161.3 | -175.2 | -55.1 | 0 | 0 | 0 | 0 | 109 | Y83 K121 | S81-Y83 VanDerWaalsContact O-CD2 3.29Å; S81-Y83 WeakPolarHBondContact O-CD2 3.26Å; S81-K121 WeakPolarHBondContact OG-CE 3.22Å; S81-K121 PolarHBondContact OG-NZ 2.99Å |
| 82 | E | 96.6 | Very high | 97.5 | Very high | 110 Ų | 110 | 28.4 Ų | 28.4 | 51% | 0.514 | 16% | 0.163 | S | C | . | . | trans | -77.5 | 143.5 | 171.1 | -68.9 | -175.9 | 161.6 | 0 | 0 | 110.3 | V73 T120 | V73-E82 HydrophobicContact CG1-CB 3.8Å; V73-E82 HydrophobicContact CG1-CG 3.91Å; E82-T120 HydrophobicContact CB-CG2 4.21Å; E82-T120 WeakPolarHBondContact O-CG2 3.45Å; E82-T120 PolarHBondContact O-N 3.37Å; E82-T120 PolarHBondContact O-OG1 3.22Å; E82-T120 VanDerWaalsContact O-OG1 3.05Å | ||
| 83 | Y | 98.1 | Very high | 97.5 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.016 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 139.9 | 175.2 | -69.9 | -115.3 | 0 | 0 | 0 | 109.2 | V73 L74 L79 S81 I118 N119 D133 L135 | V73-Y83 CarbonylContact C-O 3.46Å; V73-Y83 WeakPolarHBondContact CA-O 3.38Å; L74-Y83 PolarHBondContact N-O 3.09Å; L74-Y83 PolarHBondContact O-N 3.09Å; L79-Y83 HydrophobicContact CB-CD2 4.44Å; L79-Y83 HydrophobicContact CB-CE2 4.2Å; L79-Y83 HydrophobicContact CD1-CD2 3.9Å; L79-Y83 HydrophobicContact CD1-CE2 4.29Å; L79-Y83 HydrophobicContact CD2-CD2 4.24Å; L79-Y83 HydrophobicContact CD2-CE2 3.84Å; L79-Y83 HydrophobicContact CG-CD2 4.42Å; L79-Y83 HydrophobicContact CG-CE2 4.33Å; S81-Y83 VanDerWaalsContact O-CD2 3.29Å; S81-Y83 WeakPolarHBondContact O-CD2 3.26Å; Y83-I118 CarbonylContact C-O 3.45Å; Y83-I118 WeakPolarHBondContact CA-O 3.33Å; Y83-N119 VanDerWaalsContact CD1-CA 3.41Å; Y83-N119 HydrophobicContact CD1-CB 3.75Å; Y83-N119 HydrophobicContact CE1-CB 3.4Å; Y83-N119 VanDerWaalsContact CE1-CB 3.4Å; Y83-N119 HydrophobicContact CE2-CB 4.39Å; Y83-N119 HydrophobicContact CG-CB 4.38Å; Y83-N119 VanDerWaalsContact CZ-ND2 3.32Å; Y83-N119 PolarHBondContact OH-ND2 3.37Å; Y83-N119 VanDerWaalsContact OH-ND2 3.09Å; Y83-D133 WeakPolarHBondContact CE1-O 3.46Å; Y83-D133 PolarHBondContact OH-O 2.74Å; Y83-L135 VanDerWaalsContact CE1-C 3.42Å |
| 84 | K | 97.4 | Very high | 97.4 | Very high | 76 Ų | 76 | 29.3 Ų | 29.3 | 33% | 0.33 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 130.6 | -174.5 | -174.6 | 175.1 | 178.8 | 165.8 | 0 | 111.2 | G70 A72 T86 F117 I118 T120 | G70-K84 WeakPolarHBondContact O-CE 3.24Å; G70-K84 PolarHBondContact O-NZ 3.2Å; A72-K84 CarbonylContact O-C 3.58Å; A72-K84 WeakPolarHBondContact O-CA 3.15Å; K84-T86 PolarHBondContact O-N 2.9Å; K84-F117 CarbonylContact O-C 3.5Å; K84-F117 WeakPolarHBondContact O-CA 3.42Å; K84-I118 HydrophobicContact CB-CG2 4.22Å; K84-I118 PolarHBondContact N-O 2.92Å; K84-I118 PolarHBondContact O-N 2.85Å; K84-T120 HydrophobicContact CB-CG2 4.24Å |
| 85 | L | 97.9 | Very high | 97.2 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 130.2 | 178.2 | -176.6 | 60.7 | 0 | 0 | 0 | 109.7 | F49 V68 A72 Q87 C115 F117 L178 | F49-L85 HydrophobicContact CD1-CD2 4.4Å; F49-L85 HydrophobicContact CE1-CD2 3.82Å; V68-L85 HydrophobicContact CB-CD2 4.24Å; V68-L85 HydrophobicContact CB-CG 4.19Å; V68-L85 HydrophobicContact CG1-CD2 4.06Å; V68-L85 HydrophobicContact CG1-CG 4.31Å; V68-L85 HydrophobicContact CG2-CD2 3.96Å; V68-L85 HydrophobicContact CG2-CG 4.23Å; A72-L85 HydrophobicContact CB-CB 3.78Å; A72-L85 HydrophobicContact CB-CD2 4.36Å; A72-L85 PolarHBondContact O-N 3.11Å; L85-Q87 WeakPolarHBondContact CD1-O 3.4Å; L85-C115 HydrophobicContact CD1-CB 4.07Å; L85-F117 VanDerWaalsContact CA-CD1 3.47Å; L85-F117 HydrophobicContact CB-CD1 3.75Å; L85-F117 HydrophobicContact CB-CE1 3.59Å; L85-F117 HydrophobicContact CB-CZ 4.27Å; L85-F117 HydrophobicContact CD1-CD1 4.34Å; L85-F117 HydrophobicContact CD1-CD2 4.33Å; L85-F117 HydrophobicContact CD1-CE1 4.07Å; L85-F117 HydrophobicContact CD1-CE2 4.07Å; L85-F117 HydrophobicContact CD1-CG 4.45Å; L85-F117 HydrophobicContact CD1-CZ 3.92Å; L85-F117 HydrophobicContact CG-CE1 4.32Å; L85-L178 HydrophobicContact CD2-CD1 3.72Å |
| 86 | T | 96.8 | Very high | 97.2 | Very high | 32 Ų | 32 | 31.3 Ų | 31.3 | 20% | 0.196 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | -42 | 178.4 | 58.4 | 0 | 0 | 0 | 0 | 111.7 | V68 K84 V116 I118 M125 | V68-T86 PolarHBondContact N-O 2.93Å; K84-T86 PolarHBondContact O-N 2.9Å; T86-V116 PolarHBondContact N-O 3.29Å; T86-V116 PolarHBondContact OG1-O 3.34Å; T86-I118 HydrophobicContact CG2-CB 3.8Å; T86-I118 HydrophobicContact CG2-CG2 3.43Å; T86-I118 VanDerWaalsContact CG2-CG2 3.43Å; T86-M125 HydrophobicContact CG2-CE 4.4Å |
| 87 | Q | 97.8 | Very high | 97.1 | Very high | 48 Ų | 48 | 36.1 Ų | 36.1 | 22% | 0.224 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 163.7 | 179.2 | 60.4 | 95.8 | -16.9 | 0 | 0 | 111 | V66 L85 H89 V116 | V66-Q87 CarbonylContact O-C 3.41Å; V66-Q87 WeakPolarHBondContact O-CA 3.14Å; V66-Q87 WeakPolarHBondContact O-CB 3.19Å; L85-Q87 WeakPolarHBondContact CD1-O 3.4Å; Q87-H89 PolarHBondContact NE2-ND1 2.89Å; Q87-H89 PolarHBondContact OE1-ND1 2.73Å; Q87-V116 HydrophobicContact CG-CB 4.22Å; Q87-V116 HydrophobicContact CG-CG2 4.48Å; Q87-V116 PolarHBondContact O-N 3.27Å |
| 88 | F | 98.4 | Very high | 97 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 156.5 | 162.4 | 70.3 | -91.7 | 0 | 0 | 0 | 112.3 | S65 V66 V68 L113 H114 L157 L176 L178 L181 | S65-F88 WeakPolarHBondContact CA-O 3.28Å; V66-F88 HydrophobicContact CB-CD1 3.95Å; V66-F88 HydrophobicContact CB-CD2 4.47Å; V66-F88 HydrophobicContact CB-CE1 3.44Å; V66-F88 VanDerWaalsContact CB-CE1 3.44Å; V66-F88 HydrophobicContact CB-CE2 4.02Å; V66-F88 HydrophobicContact CB-CG 4.45Å; V66-F88 HydrophobicContact CB-CZ 3.48Å; V66-F88 VanDerWaalsContact CB-CZ 3.48Å; V66-F88 HydrophobicContact CG1-CD1 4.32Å; V66-F88 HydrophobicContact CG1-CE1 3.54Å; V66-F88 HydrophobicContact CG1-CZ 3.82Å; V66-F88 HydrophobicContact CG2-CE1 4.06Å; V66-F88 HydrophobicContact CG2-CE2 3.85Å; V66-F88 HydrophobicContact CG2-CZ 3.54Å; V66-F88 PolarHBondContact N-O 3.41Å; V66-F88 PolarHBondContact O-N 3.15Å; V68-F88 HydrophobicContact CG2-CD1 4.25Å; V68-F88 HydrophobicContact CG2-CE1 4.44Å; F88-L113 HydrophobicContact CB-CD1 3.87Å; F88-L113 HydrophobicContact CD2-CD1 3.63Å; F88-L113 HydrophobicContact CG-CD1 4.11Å; F88-H114 WeakPolarHBondContact CA-O 3.37Å; F88-H114 VanDerWaalsContact CB-O 3.3Å; F88-H114 WeakPolarHBondContact CB-O 3.42Å; F88-L157 HydrophobicContact CE2-CD2 4.19Å; F88-L176 HydrophobicContact CZ-CD1 3.92Å; F88-L178 HydrophobicContact CD1-CD2 4.33Å; F88-L178 HydrophobicContact CE1-CD1 4.33Å; F88-L178 HydrophobicContact CE1-CD2 3.54Å; F88-L178 HydrophobicContact CZ-CD2 3.94Å; F88-L181 HydrophobicContact CD2-CD1 4.48Å; F88-L181 HydrophobicContact CE2-CD1 4.02Å; F88-L181 HydrophobicContact CZ-CD1 4.11Å |
| 89 | H | 98.3 | Very high | 97 | Very high | 30 Ų | 30 | 39.7 Ų | 39.7 | 14% | 0.139 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 170.2 | 179.3 | 57.4 | -75.1 | 0 | 0 | 0 | 110.7 | F64 Q87 H91 L113 H114 | F64-H89 WeakPolarHBondContact O-CB 2.93Å; Q87-H89 PolarHBondContact NE2-ND1 2.89Å; Q87-H89 PolarHBondContact OE1-ND1 2.73Å; H89-H91 AromaticContact CD2-NE2 3.45Å; H89-H91 PolarHBondContact CD2-NE2 3.01Å; H89-H91 AromaticContact NE2-NE2 3.4Å; H89-H91 PolarHBondContact NE2-NE2 3.22Å; H89-L113 WeakPolarHBondContact O-CD1 3.3Å; H89-H114 PolarHBondContact N-O 2.93Å; H89-H114 VanDerWaalsContact N-O 3.11Å; H89-H114 AromaticContact NE2-ND1 3.72Å; H89-H114 PolarHBondContact O-N 2.91Å |
| 90 | L | 98.3 | Very high | 97 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 145.1 | 179.3 | -85.3 | 80.5 | 0 | 0 | 0 | 110.8 | F64 W92 E112 L113 F142 L154 L224 | F64-L90 HydrophobicContact CE1-CB 4.33Å; F64-L90 HydrophobicContact CE2-CD1 4.36Å; F64-L90 HydrophobicContact CZ-CB 4.18Å; F64-L90 HydrophobicContact CZ-CD1 3.68Å; F64-L90 HydrophobicContact CZ-CG 4.41Å; L90-W92 HydrophobicContact CB-CE3 3.98Å; L90-W92 HydrophobicContact CB-CZ3 4.11Å; L90-W92 WeakPolarHBondContact O-CZ3 3.4Å; L90-E112 CarbonylContact C-O 3.5Å; L90-E112 WeakPolarHBondContact CA-O 3.25Å; L90-L113 HydrophobicContact CD1-CB 4.29Å; L90-L113 HydrophobicContact CD1-CD1 3.85Å; L90-L113 HydrophobicContact CG-CB 4.24Å; L90-F142 HydrophobicContact CD2-CD2 4.14Å; L90-F142 HydrophobicContact CD2-CE2 3.51Å; L90-F142 HydrophobicContact CD2-CZ 4.16Å; L90-F142 HydrophobicContact CG-CE2 4.04Å; L90-L154 HydrophobicContact CD2-CD1 4.48Å; L90-L224 HydrophobicContact CD2-CD1 3.78Å |
| 91 | H | 98.2 | Very high | 97.2 | Very high | 6 Ų | 6 | 32.7 Ų | 32.7 | 3% | 0.028 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 142.2 | 161.6 | -64.2 | -83.7 | 0 | 0 | 0 | 109 | H89 G99 E101 A111 E112 H114 N239 F240 | H89-H91 AromaticContact CD2-NE2 3.45Å; H89-H91 PolarHBondContact CD2-NE2 3.01Å; H89-H91 AromaticContact NE2-NE2 3.4Å; H89-H91 PolarHBondContact NE2-NE2 3.22Å; H91-G99 CarbonylContact C-O 3.5Å; H91-E101 HydrophobicContact CB-CG 4Å; H91-E101 IonicContact CD2-OE2 3.94Å; H91-E101 PolarHBondContact CD2-OE2 3.34Å; H91-E101 IonicContact CE1-OE1 3.52Å; H91-E101 IonicContact CE1-OE2 3.64Å; H91-E101 IonicContact CG-OE2 3.47Å; H91-E101 IonicContact ND1-OE1 3.53Å; H91-E101 IonicContact ND1-OE2 3.91Å; H91-E101 IonicContact NE2-OE2 2.79Å; H91-E101 PolarHBondContact NE2-OE2 3.21Å; H91-A111 CarbonylContact O-C 3.56Å; H91-A111 WeakPolarHBondContact O-CA 3.33Å; H91-A111 WeakPolarHBondContact O-CB 3.41Å; H91-E112 PolarHBondContact N-O 3.03Å; H91-E112 PolarHBondContact O-N 2.77Å; H91-H114 AromaticContact CD2-CE1 3.49Å; H91-H114 PolarHBondContact CD2-CE1 3.25Å; H91-H114 VanDerWaalsContact CD2-CE1 3.49Å; H91-H114 AromaticContact CD2-ND1 3.57Å; H91-H114 AromaticContact NE2-CE1 3.74Å; H91-H114 AromaticContact NE2-ND1 3.57Å; H91-N239 VanDerWaalsContact CA-OD1 3.26Å; H91-N239 WeakPolarHBondContact CA-OD1 3.47Å; H91-N239 PolarHBondContact ND1-O 3.18Å; H91-F240 HydrophobicContact CB-CB 4.18Å |
| 92 | W | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 162.4 | -178.9 | 62.6 | 82.6 | 0 | 0 | 0 | 111.6 | N63 F64 L90 G99 P110 A111 L221 L224 M227 H228 T237 N239 F240 | N63-W92 HydrophobicContact CB-CH2 4.3Å; F64-W92 HydrophobicContact CD1-CH2 4.39Å; F64-W92 HydrophobicContact CD1-CZ3 4.35Å; F64-W92 HydrophobicContact CE1-CH2 4.45Å; F64-W92 HydrophobicContact CE1-CZ3 4.03Å; L90-W92 HydrophobicContact CB-CE3 3.98Å; L90-W92 HydrophobicContact CB-CZ3 4.11Å; L90-W92 WeakPolarHBondContact O-CZ3 3.4Å; W92-G99 PolarHBondContact N-O 3.03Å; W92-P110 WeakPolarHBondContact CA-O 3.17Å; W92-A111 HydrophobicContact CB-CB 3.97Å; W92-L221 HydrophobicContact CB-CD1 4.09Å; W92-L224 HydrophobicContact CB-CD1 4.28Å; W92-L224 HydrophobicContact CD2-CB 3.69Å; W92-L224 HydrophobicContact CD2-CD1 4.23Å; W92-L224 HydrophobicContact CD2-CG 4.49Å; W92-L224 HydrophobicContact CE3-CB 4.03Å; W92-L224 HydrophobicContact CE3-CD1 4.01Å; W92-L224 HydrophobicContact CE3-CD2 4.47Å; W92-L224 HydrophobicContact CE3-CG 4.4Å; W92-L224 HydrophobicContact CG-CB 3.96Å; W92-L224 HydrophobicContact CG-CD1 4.36Å; W92-L224 HydrophobicContact CH2-CB 4.47Å; W92-L224 HydrophobicContact CZ2-CB 4.26Å; W92-L224 WeakPolarHBondContact CZ2-O 3.45Å; W92-L224 HydrophobicContact CZ3-CB 4.4Å; W92-L224 HydrophobicContact CZ3-CD2 4.35Å; W92-M227 HydrophobicContact CH2-SD 3.78Å; W92-M227 HydrophobicContact CZ2-CB 4.32Å; W92-M227 HydrophobicContact CZ2-SD 4.21Å; W92-H228 AromaticContact CZ2-NE2 3.91Å; W92-H228 AromaticContact NE1-CD2 3.99Å; W92-H228 AromaticContact NE1-NE2 3.87Å; W92-T237 VanDerWaalsContact CD1-O 3.32Å; W92-T237 PolarHBondContact NE1-O 2.68Å; W92-T237 VanDerWaalsContact NE1-O 3.11Å; W92-N239 VanDerWaalsContact CE3-ND2 3.34Å; W92-N239 WeakPolarHBondContact CH2-ND2 3.5Å; W92-N239 WeakPolarHBondContact CZ2-ND2 3.38Å; W92-N239 WeakPolarHBondContact CZ3-ND2 3.25Å; W92-N239 PolarHBondContact N-OD1 3.41Å; W92-N239 PolarHBondContact O-N 2.95Å; W92-N239 PolarHBondContact O-OD1 3.34Å; W92-F240 WeakPolarHBondContact O-CD1 3.17Å |
| 93 | G | 96 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -115.1 | 163.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | G95 W98 P110 R225 D238 | G93-G95 PolarHBondContact O-N 3.2Å; G93-W98 WeakPolarHBondContact CA-O 3.49Å; G93-P110 PolarHBondContact N-O 3.2Å; G93-R225 PolarHBondContact O-NE 2.88Å; G93-R225 PolarHBondContact O-NH2 2.93Å; G93-D238 WeakPolarHBondContact CA-OD1 3.4Å | ||
| 94 | S | 94.9 | Very high | 97.3 | Very high | 34 Ų | 34 | 30 Ų | 30 | 24% | 0.238 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -67 | -21.2 | 171.5 | 50.9 | 0 | 0 | 0 | 0 | 112.5 | W98 R225 T237 D238 | S94-W98 PolarHBondContact OG-NE1 3.14Å; S94-R225 VanDerWaalsContact O-CZ 3.24Å; S94-R225 PolarHBondContact O-NE 3.07Å; S94-R225 PolarHBondContact O-NH2 2.71Å; S94-T237 WeakPolarHBondContact CA-OG1 3.13Å; S94-D238 WeakPolarHBondContact CA-OD1 3.26Å; S94-D238 WeakPolarHBondContact CB-OD1 3.41Å; S94-D238 PolarHBondContact N-OD1 3.33Å; S94-D238 PolarHBondContact OG-OD1 2.6Å |
| 95 | G | 93.9 | Very high | 97.3 | Very high | 6 Ų | 6 | 30 Ų | 30 | 6% | 0.062 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -105.1 | 162.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | G93 N97 W98 R225 | G93-G95 PolarHBondContact O-N 3.2Å; G95-N97 VanDerWaalsContact C-N 3.28Å; G95-N97 PolarHBondContact O-N 3.36Å; G95-W98 VanDerWaalsContact CA-CH2 3.49Å; G95-W98 VanDerWaalsContact N-CE2 3.33Å; G95-W98 VanDerWaalsContact O-O 3.06Å; G95-R225 PolarHBondContact O-NH2 2.84Å |
| 96 | N | 96.4 | Very high | 97.3 | Very high | 70 Ų | 70 | 32.1 Ų | 32.1 | 37% | 0.374 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -10.9 | -176 | -70.3 | -4.2 | 0 | 0 | 0 | 113.5 | P110 L144 I218 R225 | N96-P110 WeakPolarHBondContact O-CB 3.47Å; N96-P110 VanDerWaalsContact O-CG 3.24Å; N96-P110 WeakPolarHBondContact O-CG 3.15Å; N96-L144 HydrophobicContact CB-CD1 3.54Å; N96-I218 WeakPolarHBondContact OD1-CD1 3.27Å; N96-R225 PolarHBondContact OD1-NH1 3.39Å; N96-R225 PolarHBondContact OD1-NH2 2.85Å |
| 97 | N | 95.6 | Very high | 97.3 | Very high | 124 Ų | 124 | 36.4 Ų | 36.4 | 66% | 0.663 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -123.7 | 10.8 | -175.6 | -59 | -25.7 | 0 | 0 | 0 | 112.2 | G95 | G95-N97 VanDerWaalsContact C-N 3.28Å; G95-N97 PolarHBondContact O-N 3.36Å |
| 98 | W | 96.7 | Very high | 97.3 | Very high | 113 Ų | 113 | 35 Ų | 35 | 43% | 0.428 | 19% | 0.191 | S | C | . | . | trans | -150 | 150.9 | 176 | 67.5 | 90 | 0 | 0 | 0 | 111 | G93 S94 G95 S108 C109 F240 | G93-W98 WeakPolarHBondContact CA-O 3.49Å; S94-W98 PolarHBondContact OG-NE1 3.14Å; G95-W98 VanDerWaalsContact CA-CH2 3.49Å; G95-W98 VanDerWaalsContact N-CE2 3.33Å; G95-W98 VanDerWaalsContact O-O 3.06Å; W98-S108 WeakPolarHBondContact CA-OG 3.32Å; W98-C109 CarbonylContact C-O 3.48Å; W98-F240 AromaticContact CD1-CZ 3.93Å | ||
| 99 | G | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | 147.5 | -19.9 | -177 | 0 | 0 | 0 | 0 | 0 | 115.3 | H91 W92 S108 C109 P110 F240 | H91-G99 CarbonylContact C-O 3.5Å; W92-G99 PolarHBondContact N-O 3.03Å; G99-S108 PolarHBondContact N-OG 3.05Å; G99-C109 CarbonylContact C-O 3.15Å; G99-C109 WeakPolarHBondContact CA-O 3.46Å; G99-C109 PolarHBondContact N-O 2.86Å; G99-P110 WeakPolarHBondContact CA-O 3.46Å; G99-F240 WeakPolarHBondContact O-CB 2.91Å | ||
| 100 | S | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -68.6 | 146.7 | 167.5 | 67.4 | 0 | 0 | 0 | 0 | 110.3 | H102 S108 C109 | S100-H102 WeakPolarHBondContact CB-O 3.28Å; S100-H102 PolarHBondContact OG-O 3Å; S100-S108 PolarHBondContact OG-OG 2.92Å; S100-C109 PolarHBondContact N-O 3.31Å; S100-C109 PolarHBondContact OG-N 2.82Å | ||
| 101 | E | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -79.8 | -49.6 | 176.6 | -83 | -161.5 | 138.4 | 0 | 0 | 110 | P28 H91 E112 H114 T197 F240 R241 | P28-E101 HydrophobicContact CB-CB 3.79Å; P28-E101 VanDerWaalsContact CB-O 3.24Å; P28-E101 WeakPolarHBondContact CB-O 3.33Å; P28-E101 VanDerWaalsContact CG-C 3.48Å; P28-E101 HydrophobicContact CG-CB 3.7Å; P28-E101 HydrophobicContact CG-CG 4.4Å; P28-E101 WeakPolarHBondContact CG-O 3.34Å; H91-E101 HydrophobicContact CB-CG 4Å; H91-E101 IonicContact CD2-OE2 3.94Å; H91-E101 PolarHBondContact CD2-OE2 3.34Å; H91-E101 IonicContact CE1-OE1 3.52Å; H91-E101 IonicContact CE1-OE2 3.64Å; H91-E101 IonicContact CG-OE2 3.47Å; H91-E101 IonicContact ND1-OE1 3.53Å; H91-E101 IonicContact ND1-OE2 3.91Å; H91-E101 IonicContact NE2-OE2 2.79Å; H91-E101 PolarHBondContact NE2-OE2 3.21Å; E101-E112 PolarHBondContact N-OE2 2.82Å; E101-H114 IonicContact OE2-CE1 3.75Å; E101-H114 PolarHBondContact OE2-CE1 3.48Å; E101-H114 IonicContact OE2-NE2 2.74Å; E101-T197 WeakPolarHBondContact OE1-CB 3.37Å; E101-T197 PolarHBondContact OE1-OG1 3Å; E101-T197 WeakPolarHBondContact OE2-CB 3.34Å; E101-T197 WeakPolarHBondContact OE2-CG2 3.49Å; E101-T197 PolarHBondContact OE2-OG1 3.05Å; E101-F240 HydrophobicContact CG-CB 3.56Å; E101-R241 VanDerWaalsContact OE1-CB 3.25Å; E101-R241 WeakPolarHBondContact OE1-CB 3.44Å; E101-R241 PolarHBondContact OE1-N 2.98Å |
| 102 | H | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -71.8 | 155.7 | 168.5 | -66.2 | 91.1 | 0 | 0 | 0 | 110.9 | L31 S100 E112 F141 Y192 W207 | L31-H102 HydrophobicContact CD1-CB 4.45Å; S100-H102 WeakPolarHBondContact CB-O 3.28Å; S100-H102 PolarHBondContact OG-O 3Å; H102-E112 IonicContact CE1-OE1 3.98Å; H102-E112 IonicContact CG-OE1 3.44Å; H102-E112 PolarHBondContact N-OE2 3.25Å; H102-E112 IonicContact ND1-OE1 3.38Å; H102-E112 PolarHBondContact ND1-OE1 2.83Å; H102-E112 IonicContact ND1-OE2 3.11Å; H102-F141 HydrophobicContact CB-CE1 3.77Å; H102-F141 HydrophobicContact CB-CZ 3.55Å; H102-F141 WeakPolarHBondContact O-CE1 3.33Å; H102-Y192 AromaticContact NE2-CE1 3.53Å; H102-Y192 AromaticContact NE2-CZ 3.48Å; H102-Y192 PolarHBondContact NE2-OH 3.23Å; H102-W207 AromaticContact CE1-CD2 3.81Å; H102-W207 AromaticContact CE1-CE3 3.47Å; H102-W207 VanDerWaalsContact CE1-CE3 3.47Å; H102-W207 AromaticContact CE1-CH2 3.97Å; H102-W207 AromaticContact CE1-CZ3 3.55Å |
| 103 | M | 98.4 | Very high | 97.3 | Very high | 41 Ų | 41 | 34.8 Ų | 34.8 | 20% | 0.202 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 151.4 | 169.1 | -64.4 | 178 | -177.6 | 0 | 0 | 108.5 | N30 L31 I107 I243 | N30-M103 PolarHBondContact OD1-O 3Å; L31-M103 VanDerWaalsContact CB-O 3.28Å; L31-M103 WeakPolarHBondContact CB-O 3.3Å; L31-M103 PolarHBondContact N-O 3.16Å; M103-I107 CarbonylContact C-O 3.55Å; M103-I107 VanDerWaalsContact CA-O 3.24Å; M103-I107 WeakPolarHBondContact CA-O 3.31Å; M103-I107 WeakPolarHBondContact CB-O 2.71Å; M103-I243 HydrophobicContact CE-CG2 4.26Å; M103-I243 HydrophobicContact CG-CG2 4.09Å; M103-I243 HydrophobicContact SD-CD1 4.48Å; M103-I243 HydrophobicContact SD-CG2 3.93Å |
| 104 | I | 97.1 | Very high | 97.4 | Very high | 40 Ų | 40 | 34.9 Ų | 34.9 | 21% | 0.205 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 120.5 | 168.8 | -60 | 174.5 | 0 | 0 | 0 | 107.5 | L31 T33 G106 I107 F141 Y190 | L31-I104 HydrophobicContact CB-CG1 4.33Å; L31-I104 HydrophobicContact CD1-CG1 4.29Å; L31-I104 WeakPolarHBondContact O-CA 3.49Å; T33-I104 HydrophobicContact CG2-CG2 3.99Å; I104-G106 PolarHBondContact O-N 3.37Å; I104-G106 VanDerWaalsContact O-N 3.11Å; I104-I107 PolarHBondContact N-O 2.9Å; I104-I107 WeakPolarHBondContact O-CB 3.49Å; I104-I107 PolarHBondContact O-N 3.11Å; I104-F141 HydrophobicContact CD1-CD2 4.19Å; I104-F141 HydrophobicContact CD1-CE2 3.63Å; I104-F141 HydrophobicContact CD1-CZ 4.33Å; I104-F141 HydrophobicContact CG1-CE2 3.92Å; I104-F141 HydrophobicContact CG1-CZ 4.13Å; I104-Y190 HydrophobicContact CD1-CE2 3.87Å; I104-Y190 HydrophobicContact CG1-CE2 4.38Å |
| 105 | N | 96.9 | Very high | 97.6 | Very high | 78 Ų | 78 | 33.6 Ų | 33.6 | 42% | 0.417 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 35.3 | -177.5 | -63.6 | -30.8 | 0 | 0 | 0 | 113.9 | N30 L31 N32 T33 I107 | N30-N105 PolarHBondContact OD1-N 3.02Å; L31-N105 PolarHBondContact O-N 3.14Å; N32-N105 WeakPolarHBondContact CA-OD1 3.11Å; T33-N105 WeakPolarHBondContact CG2-ND2 3.48Å; T33-N105 PolarHBondContact N-OD1 3.3Å; T33-N105 PolarHBondContact OG1-ND2 3Å; T33-N105 PolarHBondContact OG1-OD1 3.19Å; N105-I107 VanDerWaalsContact C-N 3.29Å; N105-I107 PolarHBondContact O-N 3.05Å |
| 106 | G | 97.1 | Very high | 97.8 | Very high | 47 Ų | 47 | 33.6 Ų | 33.6 | 49% | 0.485 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 3.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115 | N30 I104 | N30-G106 PolarHBondContact OD1-N 3.31Å; I104-G106 PolarHBondContact O-N 3.37Å; I104-G106 VanDerWaalsContact O-N 3.11Å |
| 107 | I | 97.3 | Very high | 97.9 | Very high | 122 Ų | 122 | 30.3 Ų | 30.3 | 63% | 0.626 | 17% | 0.166 | S | C | * | . | B | Isolated β-bridge | trans | -95.1 | 128.8 | 177.5 | -54.9 | 177.5 | 0 | 0 | 0 | 109 | M103 I104 N105 | M103-I107 CarbonylContact C-O 3.55Å; M103-I107 VanDerWaalsContact CA-O 3.24Å; M103-I107 WeakPolarHBondContact CA-O 3.31Å; M103-I107 WeakPolarHBondContact CB-O 2.71Å; I104-I107 PolarHBondContact N-O 2.9Å; I104-I107 WeakPolarHBondContact O-CB 3.49Å; I104-I107 PolarHBondContact O-N 3.11Å; N105-I107 VanDerWaalsContact C-N 3.29Å; N105-I107 PolarHBondContact O-N 3.05Å |
| 108 | S | 98 | Very high | 98 | Very high | 18 Ų | 18 | 25.2 Ų | 25.2 | 13% | 0.126 | 14% | 0.139 | C | C | . | . | trans | -98.7 | 158 | 174.1 | -175.7 | 0 | 0 | 0 | 0 | 110.7 | W98 G99 S100 | W98-S108 WeakPolarHBondContact CA-OG 3.32Å; G99-S108 PolarHBondContact N-OG 3.05Å; S100-S108 PolarHBondContact OG-OG 2.92Å | ||
| 109 | C | 97.8 | Very high | 98.1 | Very high | 28 Ų | 28 | 19.8 Ų | 19.8 | 19% | 0.189 | 12% | 0.118 | C | C | . | . | trans | -108.4 | 158.7 | 171.7 | -70.5 | 0 | 0 | 0 | 0 | 110.1 | W98 G99 S100 A111 F141 F142 | W98-C109 CarbonylContact C-O 3.48Å; G99-C109 CarbonylContact C-O 3.15Å; G99-C109 WeakPolarHBondContact CA-O 3.46Å; G99-C109 PolarHBondContact N-O 2.86Å; S100-C109 PolarHBondContact N-O 3.31Å; S100-C109 PolarHBondContact OG-N 2.82Å; C109-A111 PolarHBondContact O-N 3.12Å; C109-F141 HydrophobicContact CB-CB 4.19Å; C109-F141 HydrophobicContact CB-CD1 4.01Å; C109-F141 HydrophobicContact CB-CG 4.45Å; C109-F142 WeakPolarHBondContact CB-O 3.4Å | ||
| 110 | P | 97.7 | Very high | 98 | Very high | 8 Ų | 8 | 23.4 Ų | 23.4 | 5% | 0.052 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -60.5 | -25.4 | 179.7 | 7.7 | -18.9 | 0 | 0 | 0 | 115.6 | W92 G93 N96 G99 F142 L144 L221 | W92-P110 WeakPolarHBondContact CA-O 3.17Å; G93-P110 PolarHBondContact N-O 3.2Å; N96-P110 WeakPolarHBondContact O-CB 3.47Å; N96-P110 VanDerWaalsContact O-CG 3.24Å; N96-P110 WeakPolarHBondContact O-CG 3.15Å; G99-P110 WeakPolarHBondContact CA-O 3.46Å; P110-F142 VanDerWaalsContact CD-O 3.26Å; P110-F142 WeakPolarHBondContact CD-O 3.35Å; P110-F142 WeakPolarHBondContact CG-O 3.42Å; P110-L144 HydrophobicContact CB-CG 4.45Å; P110-L144 HydrophobicContact CG-CD1 4.31Å; P110-L144 HydrophobicContact CG-CG 3.87Å; P110-L221 HydrophobicContact CB-CD2 3.64Å |
| 111 | A | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 165.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | H91 W92 C109 F142 M216 | H91-A111 CarbonylContact O-C 3.56Å; H91-A111 WeakPolarHBondContact O-CA 3.33Å; H91-A111 WeakPolarHBondContact O-CB 3.41Å; W92-A111 HydrophobicContact CB-CB 3.97Å; C109-A111 PolarHBondContact O-N 3.12Å; A111-F142 HydrophobicContact CB-CB 4.09Å; A111-F142 HydrophobicContact CB-CD2 3.95Å; A111-F142 HydrophobicContact CB-CG 4.41Å; A111-F142 PolarHBondContact O-N 3.47Å; A111-M216 HydrophobicContact CB-SD 4.05Å |
| 112 | E | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 128.7 | 175.4 | -170.1 | 178.6 | 147.2 | 0 | 0 | 110.3 | L90 H91 E101 H102 H114 I140 F141 | L90-E112 CarbonylContact C-O 3.5Å; L90-E112 WeakPolarHBondContact CA-O 3.25Å; H91-E112 PolarHBondContact N-O 3.03Å; H91-E112 PolarHBondContact O-N 2.77Å; E101-E112 PolarHBondContact N-OE2 2.82Å; H102-E112 IonicContact CE1-OE1 3.98Å; H102-E112 IonicContact CG-OE1 3.44Å; H102-E112 PolarHBondContact N-OE2 3.25Å; H102-E112 IonicContact ND1-OE1 3.38Å; H102-E112 PolarHBondContact ND1-OE1 2.83Å; H102-E112 IonicContact ND1-OE2 3.11Å; E112-H114 IonicContact OE1-CD2 2.68Å; E112-H114 PolarHBondContact OE1-CD2 2.91Å; E112-H114 IonicContact OE1-CE1 3.61Å; E112-H114 IonicContact OE1-NE2 3.28Å; E112-H114 PolarHBondContact OE1-NE2 3.4Å; E112-I140 CarbonylContact C-O 3.55Å; E112-I140 WeakPolarHBondContact CA-O 3.36Å; E112-F141 HydrophobicContact CG-CD1 4.34Å |
| 113 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 134.1 | 172.6 | 158.3 | 70.3 | 0 | 0 | 0 | 109.7 | F88 H89 L90 G139 I140 F142 L181 | F88-L113 HydrophobicContact CB-CD1 3.87Å; F88-L113 HydrophobicContact CD2-CD1 3.63Å; F88-L113 HydrophobicContact CG-CD1 4.11Å; H89-L113 WeakPolarHBondContact O-CD1 3.3Å; L90-L113 HydrophobicContact CD1-CB 4.29Å; L90-L113 HydrophobicContact CD1-CD1 3.85Å; L90-L113 HydrophobicContact CG-CB 4.24Å; L113-G139 CarbonylContact O-C 3.53Å; L113-G139 WeakPolarHBondContact O-CA 3.5Å; L113-I140 HydrophobicContact CB-CB 4.25Å; L113-I140 HydrophobicContact CD2-CB 4.42Å; L113-I140 HydrophobicContact CD2-CD1 3.94Å; L113-I140 HydrophobicContact CG-CD1 4.49Å; L113-I140 PolarHBondContact N-O 3.38Å; L113-I140 PolarHBondContact O-N 3.11Å; L113-F142 HydrophobicContact CB-CE2 3.59Å; L113-F142 HydrophobicContact CB-CZ 4.16Å; L113-L181 HydrophobicContact CD2-CB 3.79Å; L113-L181 HydrophobicContact CD2-CD1 4.29Å; L113-L181 HydrophobicContact CD2-CG 4.48Å |
| 114 | H | 98.8 | Very high | 97.2 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 115.5 | 171.7 | -69 | 179.2 | 0 | 0 | 0 | 110.4 | F88 H89 H91 E101 E112 V137 W207 | F88-H114 WeakPolarHBondContact CA-O 3.37Å; F88-H114 VanDerWaalsContact CB-O 3.3Å; F88-H114 WeakPolarHBondContact CB-O 3.42Å; H89-H114 PolarHBondContact N-O 2.93Å; H89-H114 VanDerWaalsContact N-O 3.11Å; H89-H114 AromaticContact NE2-ND1 3.72Å; H89-H114 PolarHBondContact O-N 2.91Å; H91-H114 AromaticContact CD2-CE1 3.49Å; H91-H114 PolarHBondContact CD2-CE1 3.25Å; H91-H114 VanDerWaalsContact CD2-CE1 3.49Å; H91-H114 AromaticContact CD2-ND1 3.57Å; H91-H114 AromaticContact NE2-CE1 3.74Å; H91-H114 AromaticContact NE2-ND1 3.57Å; E101-H114 IonicContact OE2-CE1 3.75Å; E101-H114 PolarHBondContact OE2-CE1 3.48Å; E101-H114 IonicContact OE2-NE2 2.74Å; E112-H114 IonicContact OE1-CD2 2.68Å; E112-H114 PolarHBondContact OE1-CD2 2.91Å; E112-H114 IonicContact OE1-CE1 3.61Å; E112-H114 IonicContact OE1-NE2 3.28Å; E112-H114 PolarHBondContact OE1-NE2 3.4Å; H114-V137 HydrophobicContact CB-CG1 3.86Å; H114-W207 AromaticContact CD2-CZ3 3.93Å; H114-W207 AromaticContact CE1-CH2 3.39Å; H114-W207 WeakPolarHBondContact CE1-CH2 3.36Å; H114-W207 AromaticContact CE1-CZ3 3.92Å; H114-W207 AromaticContact ND1-CH2 3.65Å; H114-W207 AromaticContact NE2-CH2 3.67Å; H114-W207 AromaticContact NE2-CZ3 3.7Å |
| 115 | C | 98.5 | Very high | 97.1 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 4% | 0.041 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 114.3 | 167.8 | -64.7 | 0 | 0 | 0 | 0 | 108.7 | L85 F117 V137 V138 | L85-C115 HydrophobicContact CD1-CB 4.07Å; C115-F117 HydrophobicContact CB-CD2 4.36Å; C115-F117 HydrophobicContact CB-CE2 3.5Å; C115-F117 HydrophobicContact CB-CZ 4.12Å; C115-F117 VanDerWaalsContact O-CD2 3.25Å; C115-F117 WeakPolarHBondContact O-CD2 3.44Å; C115-F117 WeakPolarHBondContact O-CE2 3.45Å; C115-V137 WeakPolarHBondContact O-CA 3.48Å; C115-V138 HydrophobicContact CB-CB 4.31Å; C115-V138 PolarHBondContact N-O 3.08Å; C115-V138 PolarHBondContact O-N 2.92Å |
| 116 | V | 98.4 | Very high | 97 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 4% | 0.036 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 114.5 | -172.3 | -175.7 | 0 | 0 | 0 | 0 | 110.6 | T86 Q87 M125 L135 V137 | T86-V116 PolarHBondContact N-O 3.29Å; T86-V116 PolarHBondContact OG1-O 3.34Å; Q87-V116 HydrophobicContact CG-CB 4.22Å; Q87-V116 HydrophobicContact CG-CG2 4.48Å; Q87-V116 PolarHBondContact O-N 3.27Å; V116-M125 HydrophobicContact CG1-CE 4.29Å; V116-L135 HydrophobicContact CG1-CD1 4.45Å; V116-V137 HydrophobicContact CG1-CG2 4.33Å; V116-V137 HydrophobicContact CG2-CG2 4.26Å |
| 117 | F | 98.2 | Very high | 97 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 135.7 | 179.2 | -55.4 | -108.4 | 0 | 0 | 0 | 111.1 | V47 L74 K84 L85 C115 L135 S136 V138 | V47-F117 HydrophobicContact CG1-CE1 4.09Å; V47-F117 HydrophobicContact CG1-CZ 3.86Å; L74-F117 HydrophobicContact CB-CD1 3.41Å; L74-F117 VanDerWaalsContact CB-CD1 3.41Å; L74-F117 HydrophobicContact CB-CD2 4.3Å; L74-F117 HydrophobicContact CB-CE1 3.52Å; L74-F117 HydrophobicContact CB-CE2 4.36Å; L74-F117 HydrophobicContact CB-CG 3.86Å; L74-F117 HydrophobicContact CB-CZ 4.02Å; L74-F117 HydrophobicContact CD2-CB 4.36Å; L74-F117 HydrophobicContact CD2-CD1 4.35Å; L74-F117 HydrophobicContact CD2-CD2 3.78Å; L74-F117 HydrophobicContact CD2-CE2 4.11Å; L74-F117 HydrophobicContact CD2-CG 3.93Å; K84-F117 CarbonylContact O-C 3.5Å; K84-F117 WeakPolarHBondContact O-CA 3.42Å; L85-F117 VanDerWaalsContact CA-CD1 3.47Å; L85-F117 HydrophobicContact CB-CD1 3.75Å; L85-F117 HydrophobicContact CB-CE1 3.59Å; L85-F117 HydrophobicContact CB-CZ 4.27Å; L85-F117 HydrophobicContact CD1-CD1 4.34Å; L85-F117 HydrophobicContact CD1-CD2 4.33Å; L85-F117 HydrophobicContact CD1-CE1 4.07Å; L85-F117 HydrophobicContact CD1-CE2 4.07Å; L85-F117 HydrophobicContact CD1-CG 4.45Å; L85-F117 HydrophobicContact CD1-CZ 3.92Å; L85-F117 HydrophobicContact CG-CE1 4.32Å; C115-F117 HydrophobicContact CB-CD2 4.36Å; C115-F117 HydrophobicContact CB-CE2 3.5Å; C115-F117 HydrophobicContact CB-CZ 4.12Å; C115-F117 VanDerWaalsContact O-CD2 3.25Å; C115-F117 WeakPolarHBondContact O-CD2 3.44Å; C115-F117 WeakPolarHBondContact O-CE2 3.45Å; F117-L135 VanDerWaalsContact O-CA 3.29Å; F117-L135 WeakPolarHBondContact O-CA 3.38Å; F117-S136 WeakPolarHBondContact CA-O 3.04Å; F117-S136 WeakPolarHBondContact CB-O 3.33Å; F117-S136 PolarHBondContact N-O 2.9Å; F117-S136 PolarHBondContact O-N 3.49Å; F117-V138 HydrophobicContact CD2-CG2 4.32Å; F117-V138 HydrophobicContact CE2-CB 4.25Å; F117-V138 HydrophobicContact CE2-CG2 3.78Å |
| 118 | I | 97.9 | Very high | 97 | Very high | 17 Ų | 17 | 36.4 Ų | 36.4 | 9% | 0.087 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 135.9 | 174.7 | -169.4 | 175.7 | 0 | 0 | 0 | 110.6 | Y83 K84 T86 T120 T124 M125 A128 L135 | Y83-I118 CarbonylContact C-O 3.45Å; Y83-I118 WeakPolarHBondContact CA-O 3.33Å; K84-I118 HydrophobicContact CB-CG2 4.22Å; K84-I118 PolarHBondContact N-O 2.92Å; K84-I118 PolarHBondContact O-N 2.85Å; T86-I118 HydrophobicContact CG2-CB 3.8Å; T86-I118 HydrophobicContact CG2-CG2 3.43Å; T86-I118 VanDerWaalsContact CG2-CG2 3.43Å; I118-T120 PolarHBondContact O-N 3Å; I118-T124 WeakPolarHBondContact CD1-O 3.14Å; I118-M125 HydrophobicContact CD1-CB 4.43Å; I118-A128 HydrophobicContact CD1-CB 3.77Å; I118-A128 HydrophobicContact CG1-CB 3.62Å; I118-L135 HydrophobicContact CB-CD2 4.2Å; I118-L135 HydrophobicContact CG1-CD2 4.16Å |
| 119 | N | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 129.3 | 175 | -167.5 | -35.8 | 0 | 0 | 0 | 110.2 | Y83 K121 Y122 D133 G134 | Y83-N119 VanDerWaalsContact CD1-CA 3.41Å; Y83-N119 HydrophobicContact CD1-CB 3.75Å; Y83-N119 HydrophobicContact CE1-CB 3.4Å; Y83-N119 VanDerWaalsContact CE1-CB 3.4Å; Y83-N119 HydrophobicContact CE2-CB 4.39Å; Y83-N119 HydrophobicContact CG-CB 4.38Å; Y83-N119 VanDerWaalsContact CZ-ND2 3.32Å; Y83-N119 PolarHBondContact OH-ND2 3.37Å; Y83-N119 VanDerWaalsContact OH-ND2 3.09Å; N119-K121 PolarHBondContact O-N 2.85Å; N119-K121 VanDerWaalsContact O-N 3.09Å; N119-K121 WeakPolarHBondContact OD1-CB 3.39Å; N119-K121 VanDerWaalsContact OD1-CG 3.3Å; N119-K121 WeakPolarHBondContact OD1-CG 3.45Å; N119-K121 PolarHBondContact OD1-N 2.89Å; N119-K121 VanDerWaalsContact OD1-N 3.11Å; N119-Y122 HydrophobicContact CB-CD2 3.75Å; N119-Y122 HydrophobicContact CB-CE2 3.98Å; N119-Y122 PolarHBondContact O-N 2.85Å; N119-D133 WeakPolarHBondContact CB-O 3.36Å; N119-D133 PolarHBondContact ND2-O 2.9Å; N119-D133 PolarHBondContact ND2-OD2 2.89Å; N119-G134 WeakPolarHBondContact CB-O 3.39Å; N119-G134 PolarHBondContact N-O 3.43Å |
| 120 | T | 96.3 | Very high | 96.9 | Very high | 76 Ų | 76 | 40.7 Ų | 40.7 | 47% | 0.466 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -12.6 | -176.9 | 57.2 | 0 | 0 | 0 | 0 | 113.8 | E82 K84 I118 Y122 | E82-T120 HydrophobicContact CB-CG2 4.21Å; E82-T120 WeakPolarHBondContact O-CG2 3.45Å; E82-T120 PolarHBondContact O-N 3.37Å; E82-T120 PolarHBondContact O-OG1 3.22Å; E82-T120 VanDerWaalsContact O-OG1 3.05Å; K84-T120 HydrophobicContact CB-CG2 4.24Å; I118-T120 PolarHBondContact O-N 3Å; T120-Y122 PolarHBondContact O-N 2.83Å |
| 121 | K | 96.7 | Very high | 96.9 | Very high | 115 Ų | 115 | 45.7 Ų | 45.7 | 50% | 0.5 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -26.5 | 168.6 | -67.6 | 175.1 | -170.8 | 159.2 | 0 | 113.4 | S81 N119 D133 | S81-K121 WeakPolarHBondContact OG-CE 3.22Å; S81-K121 PolarHBondContact OG-NZ 2.99Å; N119-K121 PolarHBondContact O-N 2.85Å; N119-K121 VanDerWaalsContact O-N 3.09Å; N119-K121 WeakPolarHBondContact OD1-CB 3.39Å; N119-K121 VanDerWaalsContact OD1-CG 3.3Å; N119-K121 WeakPolarHBondContact OD1-CG 3.45Å; N119-K121 PolarHBondContact OD1-N 2.89Å; N119-K121 VanDerWaalsContact OD1-N 3.11Å; K121-D133 IonicContact NZ-OD2 3.82Å; K121-D133 PolarHBondContact NZ-OD2 2.66Å |
| 122 | Y | 96.7 | Very high | 96.9 | Very high | 34 Ų | 34 | 50 Ų | 50 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | trans | -110.2 | 125.5 | -174.3 | -52.1 | -57.6 | 0 | 0 | 0 | 110.1 | N119 T120 T124 T127 A128 Y131 D133 | N119-Y122 HydrophobicContact CB-CD2 3.75Å; N119-Y122 HydrophobicContact CB-CE2 3.98Å; N119-Y122 PolarHBondContact O-N 2.85Å; T120-Y122 PolarHBondContact O-N 2.83Å; Y122-T124 VanDerWaalsContact C-N 3.29Å; Y122-T124 PolarHBondContact O-N 3.29Å; Y122-T127 HydrophobicContact CD1-CG2 4.27Å; Y122-A128 HydrophobicContact CD2-CB 3.87Å; Y122-A128 HydrophobicContact CG-CB 4.15Å; Y122-Y131 AromaticContact CD1-CD2 3.93Å; Y122-Y131 HydrophobicContact CD1-CD2 3.93Å; Y122-Y131 HydrophobicContact CD1-CE2 4.08Å; Y122-Y131 HydrophobicContact CE1-CD1 4.09Å; Y122-Y131 AromaticContact CE1-CD2 3.41Å; Y122-Y131 HydrophobicContact CE1-CD2 3.41Å; Y122-Y131 VanDerWaalsContact CE1-CD2 3.41Å; Y122-Y131 HydrophobicContact CE1-CE1 4.31Å; Y122-Y131 AromaticContact CE1-CE2 3.68Å; Y122-Y131 HydrophobicContact CE1-CE2 3.68Å; Y122-Y131 AromaticContact CE1-CG 3.65Å; Y122-Y131 HydrophobicContact CE1-CG 3.65Å; Y122-Y131 HydrophobicContact CE2-CD2 4.32Å; Y122-Y131 HydrophobicContact CE2-CG 4.23Å; Y122-Y131 AromaticContact CZ-CD2 3.65Å; Y122-Y131 AromaticContact CZ-CG 3.46Å; Y122-Y131 VanDerWaalsContact CZ-CG 3.46Å; Y122-Y131 VanDerWaalsContact OH-CB 3.26Å; Y122-Y131 WeakPolarHBondContact OH-CB 3.34Å; Y122-Y131 WeakPolarHBondContact OH-CD1 3.07Å; Y122-Y131 VanDerWaalsContact OH-CG 3.27Å; Y122-D133 PolarHBondContact OH-OD1 2.88Å | ||
| 123 | A | 91.4 | Very high | 96.8 | Very high | 100 Ų | 100 | 51.8 Ų | 51.8 | 83% | 0.826 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -69 | -26.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 124 | T | 93.6 | Very high | 96.8 | Very high | 63 Ų | 63 | 51.8 Ų | 51.8 | 39% | 0.387 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -138.8 | 152.3 | -174.2 | 74.2 | 0 | 0 | 0 | 0 | 111.5 | I118 Y122 E126 T127 A128 | I118-T124 WeakPolarHBondContact CD1-O 3.14Å; Y122-T124 VanDerWaalsContact C-N 3.29Å; Y122-T124 PolarHBondContact O-N 3.29Å; T124-E126 PolarHBondContact O-N 3.34Å; T124-T127 PolarHBondContact O-N 3.33Å; T124-T127 PolarHBondContact OG1-N 2.88Å; T124-T127 VanDerWaalsContact OG1-N 3.16Å; T124-T127 PolarHBondContact OG1-OG1 2.88Å; T124-A128 WeakPolarHBondContact O-CB 3.48Å; T124-A128 PolarHBondContact O-N 3.15Å |
| 125 | M | 93.3 | Very high | 96.8 | Very high | 73 Ų | 73 | 51.7 Ų | 51.7 | 36% | 0.36 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -56.4 | -40.8 | 173 | -179.1 | 67.7 | 76.1 | 0 | 0 | 111.3 | T86 V116 I118 T127 A128 I129 L135 | T86-M125 HydrophobicContact CG2-CE 4.4Å; V116-M125 HydrophobicContact CG1-CE 4.29Å; I118-M125 HydrophobicContact CD1-CB 4.43Å; M125-T127 VanDerWaalsContact C-N 3.3Å; M125-T127 PolarHBondContact O-N 3.47Å; M125-A128 PolarHBondContact O-N 3.44Å; M125-I129 HydrophobicContact CG-CG2 4.3Å; M125-I129 WeakPolarHBondContact O-CG1 3.12Å; M125-I129 WeakPolarHBondContact O-CG2 3.5Å; M125-I129 PolarHBondContact O-N 2.87Å; M125-I129 HydrophobicContact SD-CG2 3.9Å; M125-L135 HydrophobicContact CE-CD2 4.15Å; M125-L135 HydrophobicContact SD-CD1 4.05Å; M125-L135 HydrophobicContact SD-CD2 3.58Å; M125-L135 VanDerWaalsContact SD-CD2 3.58Å; M125-L135 HydrophobicContact SD-CG 4.42Å |
| 126 | E | 95.3 | Very high | 96.8 | Very high | 158 Ų | 158 | 51.4 Ų | 51.4 | 74% | 0.738 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -58.2 | -41.6 | 179.2 | -176.3 | 177.1 | -176.3 | 0 | 0 | 112.1 | T124 I129 | T124-E126 PolarHBondContact O-N 3.34Å; E126-I129 WeakPolarHBondContact O-CG1 2.93Å |
| 127 | T | 97.1 | Very high | 96.8 | Very high | 59 Ų | 59 | 51.3 Ų | 51.3 | 36% | 0.362 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -73.7 | -44.2 | 174 | -51 | 0 | 0 | 0 | 0 | 111.6 | Y122 T124 M125 I129 T130 Y131 | Y122-T127 HydrophobicContact CD1-CG2 4.27Å; T124-T127 PolarHBondContact O-N 3.33Å; T124-T127 PolarHBondContact OG1-N 2.88Å; T124-T127 VanDerWaalsContact OG1-N 3.16Å; T124-T127 PolarHBondContact OG1-OG1 2.88Å; M125-T127 VanDerWaalsContact C-N 3.3Å; M125-T127 PolarHBondContact O-N 3.47Å; T127-I129 VanDerWaalsContact C-N 3.32Å; T127-I129 PolarHBondContact O-N 3.45Å; T127-T130 PolarHBondContact O-N 2.75Å; T127-T130 VanDerWaalsContact O-N 3.16Å; T127-T130 PolarHBondContact O-OG1 3.42Å; T127-Y131 HydrophobicContact CG2-CE2 3.93Å; T127-Y131 VanDerWaalsContact O-CD2 3.3Å; T127-Y131 WeakPolarHBondContact O-CD2 3.39Å |
| 128 | A | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.8 | -43.4 | -176 | 0 | 0 | 0 | 0 | 0 | 112.5 | I118 Y122 T124 M125 T130 Y131 G134 L135 | I118-A128 HydrophobicContact CD1-CB 3.77Å; I118-A128 HydrophobicContact CG1-CB 3.62Å; Y122-A128 HydrophobicContact CD2-CB 3.87Å; Y122-A128 HydrophobicContact CG-CB 4.15Å; T124-A128 WeakPolarHBondContact O-CB 3.48Å; T124-A128 PolarHBondContact O-N 3.15Å; M125-A128 PolarHBondContact O-N 3.44Å; A128-T130 PolarHBondContact O-N 3.21Å; A128-Y131 PolarHBondContact O-N 3.21Å; A128-G134 WeakPolarHBondContact O-CA 3.2Å; A128-L135 HydrophobicContact CB-CD2 4.2Å |
| 129 | I | 97.3 | Very high | 96.9 | Very high | 36 Ų | 36 | 50.5 Ų | 50.5 | 19% | 0.185 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -6.8 | -176.9 | 65.7 | 169.3 | 0 | 0 | 0 | 114.5 | M125 E126 T127 L135 L196 N202 | M125-I129 HydrophobicContact CG-CG2 4.3Å; M125-I129 WeakPolarHBondContact O-CG1 3.12Å; M125-I129 WeakPolarHBondContact O-CG2 3.5Å; M125-I129 PolarHBondContact O-N 2.87Å; M125-I129 HydrophobicContact SD-CG2 3.9Å; E126-I129 WeakPolarHBondContact O-CG1 2.93Å; T127-I129 VanDerWaalsContact C-N 3.32Å; T127-I129 PolarHBondContact O-N 3.45Å; I129-L135 HydrophobicContact CG2-CD1 4.05Å; I129-L196 HydrophobicContact CG2-CD1 4.49Å; I129-N202 HydrophobicContact CB-CB 4.32Å; I129-N202 PolarHBondContact O-ND2 2.94Å |
| 130 | T | 97 | Very high | 96.9 | Very high | 99 Ų | 99 | 50.5 Ų | 50.5 | 61% | 0.607 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -7.2 | 173.7 | 69.9 | 0 | 0 | 0 | 0 | 113.2 | T127 A128 | T127-T130 PolarHBondContact O-N 2.75Å; T127-T130 VanDerWaalsContact O-N 3.16Å; T127-T130 PolarHBondContact O-OG1 3.42Å; A128-T130 PolarHBondContact O-N 3.21Å |
| 131 | Y | 97.9 | Very high | 97 | Very high | 114 Ų | 114 | 47.1 Ų | 47.1 | 45% | 0.447 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -114 | 145.3 | 179.9 | -65.2 | -91.3 | 0 | 0 | 0 | 111.4 | Y122 T127 A128 D133 G134 C204 | Y122-Y131 AromaticContact CD1-CD2 3.93Å; Y122-Y131 HydrophobicContact CD1-CD2 3.93Å; Y122-Y131 HydrophobicContact CD1-CE2 4.08Å; Y122-Y131 HydrophobicContact CE1-CD1 4.09Å; Y122-Y131 AromaticContact CE1-CD2 3.41Å; Y122-Y131 HydrophobicContact CE1-CD2 3.41Å; Y122-Y131 VanDerWaalsContact CE1-CD2 3.41Å; Y122-Y131 HydrophobicContact CE1-CE1 4.31Å; Y122-Y131 AromaticContact CE1-CE2 3.68Å; Y122-Y131 HydrophobicContact CE1-CE2 3.68Å; Y122-Y131 AromaticContact CE1-CG 3.65Å; Y122-Y131 HydrophobicContact CE1-CG 3.65Å; Y122-Y131 HydrophobicContact CE2-CD2 4.32Å; Y122-Y131 HydrophobicContact CE2-CG 4.23Å; Y122-Y131 AromaticContact CZ-CD2 3.65Å; Y122-Y131 AromaticContact CZ-CG 3.46Å; Y122-Y131 VanDerWaalsContact CZ-CG 3.46Å; Y122-Y131 VanDerWaalsContact OH-CB 3.26Å; Y122-Y131 WeakPolarHBondContact OH-CB 3.34Å; Y122-Y131 WeakPolarHBondContact OH-CD1 3.07Å; Y122-Y131 VanDerWaalsContact OH-CG 3.27Å; T127-Y131 HydrophobicContact CG2-CE2 3.93Å; T127-Y131 VanDerWaalsContact O-CD2 3.3Å; T127-Y131 WeakPolarHBondContact O-CD2 3.39Å; A128-Y131 PolarHBondContact O-N 3.21Å; Y131-D133 PolarHBondContact O-N 3.39Å; Y131-G134 PolarHBondContact O-N 3.03Å; Y131-C204 WeakPolarHBondContact O-CA 3.49Å; Y131-C204 WeakPolarHBondContact O-CB 3.28Å |
| 132 | S | 96.7 | Very high | 97 | Very high | 91 Ų | 91 | 41.6 Ų | 41.6 | 64% | 0.636 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -23.4 | -177.6 | 56 | 0 | 0 | 0 | 0 | 114.2 | C204 | S132-C204 CarbonylContact O-C 3.59Š|
| 133 | D | 97.6 | Very high | 97 | Very high | 37 Ų | 37 | 44.2 Ų | 44.2 | 20% | 0.198 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 22.1 | 174.7 | 73.9 | -30 | 0 | 0 | 0 | 111.7 | Y83 N119 K121 Y122 Y131 L135 | Y83-D133 WeakPolarHBondContact CE1-O 3.46Å; Y83-D133 PolarHBondContact OH-O 2.74Å; N119-D133 WeakPolarHBondContact CB-O 3.36Å; N119-D133 PolarHBondContact ND2-O 2.9Å; N119-D133 PolarHBondContact ND2-OD2 2.89Å; K121-D133 IonicContact NZ-OD2 3.82Å; K121-D133 PolarHBondContact NZ-OD2 2.66Å; Y122-D133 PolarHBondContact OH-OD1 2.88Å; Y131-D133 PolarHBondContact O-N 3.39Å; D133-L135 VanDerWaalsContact C-N 3.34Å; D133-L135 PolarHBondContact O-N 2.72Å |
| 134 | G | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -59.1 | -44 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | N119 A128 Y131 C204 | N119-G134 WeakPolarHBondContact CB-O 3.39Å; N119-G134 PolarHBondContact N-O 3.43Å; A128-G134 WeakPolarHBondContact O-CA 3.2Å; Y131-G134 PolarHBondContact O-N 3.03Å; G134-C204 PolarHBondContact N-O 3.36Å |
| 135 | L | 98.5 | Very high | 97.2 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 152.8 | -172.4 | -54.6 | -179.6 | 0 | 0 | 0 | 111.4 | Y83 V116 F117 I118 M125 A128 I129 D133 L196 C204 V205 T206 | Y83-L135 VanDerWaalsContact CE1-C 3.42Å; V116-L135 HydrophobicContact CG1-CD1 4.45Å; F117-L135 VanDerWaalsContact O-CA 3.29Å; F117-L135 WeakPolarHBondContact O-CA 3.38Å; I118-L135 HydrophobicContact CB-CD2 4.2Å; I118-L135 HydrophobicContact CG1-CD2 4.16Å; M125-L135 HydrophobicContact CE-CD2 4.15Å; M125-L135 HydrophobicContact SD-CD1 4.05Å; M125-L135 HydrophobicContact SD-CD2 3.58Å; M125-L135 VanDerWaalsContact SD-CD2 3.58Å; M125-L135 HydrophobicContact SD-CG 4.42Å; A128-L135 HydrophobicContact CB-CD2 4.2Å; I129-L135 HydrophobicContact CG2-CD1 4.05Å; D133-L135 VanDerWaalsContact C-N 3.34Å; D133-L135 PolarHBondContact O-N 2.72Å; L135-L196 HydrophobicContact CD1-CD2 3.74Å; L135-L196 HydrophobicContact CD1-CG 4.43Å; L135-C204 PolarHBondContact N-O 3.14Å; L135-V205 HydrophobicContact CB-CG2 4.22Å; L135-V205 HydrophobicContact CD1-CG2 4.35Å; L135-V205 WeakPolarHBondContact O-CA 3.29Å; L135-T206 PolarHBondContact O-N 3.49Å |
| 136 | S | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 133 | 161.8 | -176.5 | 0 | 0 | 0 | 0 | 107.8 | L74 F117 T206 | L74-S136 VanDerWaalsContact CD2-OG 3.28Å; L74-S136 WeakPolarHBondContact CD2-OG 3.43Å; F117-S136 WeakPolarHBondContact CA-O 3.04Å; F117-S136 WeakPolarHBondContact CB-O 3.33Å; F117-S136 PolarHBondContact N-O 2.9Å; F117-S136 PolarHBondContact O-N 3.49Å; S136-T206 VanDerWaalsContact CA-O 3.32Å; S136-T206 WeakPolarHBondContact CA-O 3.49Å; S136-T206 PolarHBondContact OG-O 2.94Å |
| 137 | V | 98.8 | Very high | 95.8 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 122.1 | 176.9 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | H114 C115 V116 V205 T206 W207 I208 | H114-V137 HydrophobicContact CB-CG1 3.86Å; C115-V137 WeakPolarHBondContact O-CA 3.48Å; V116-V137 HydrophobicContact CG1-CG2 4.33Å; V116-V137 HydrophobicContact CG2-CG2 4.26Å; V137-V205 HydrophobicContact CB-CG1 3.85Å; V137-V205 HydrophobicContact CG2-CG1 3.58Å; V137-V205 HydrophobicContact CG2-CG2 4.42Å; V137-T206 PolarHBondContact N-O 2.83Å; V137-T206 VanDerWaalsContact N-O 3.14Å; V137-W207 HydrophobicContact CB-CD2 4.31Å; V137-W207 HydrophobicContact CB-CE3 3.94Å; V137-W207 HydrophobicContact CB-CH2 3.96Å; V137-W207 HydrophobicContact CB-CZ2 4.31Å; V137-W207 HydrophobicContact CB-CZ3 3.77Å; V137-W207 HydrophobicContact CG1-CE3 3.97Å; V137-W207 HydrophobicContact CG1-CH2 3.54Å; V137-W207 HydrophobicContact CG1-CZ2 4.35Å; V137-W207 HydrophobicContact CG1-CZ3 3.32Å; V137-I208 PolarHBondContact O-N 2.63Å |
| 138 | V | 98.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 111.6 | 170.9 | -177.5 | 0 | 0 | 0 | 0 | 108.1 | I45 L74 C115 F117 I140 I208 L210 | I45-V138 HydrophobicContact CD1-CG1 4.45Å; I45-V138 HydrophobicContact CD1-CG2 4.4Å; L74-V138 HydrophobicContact CD1-CG2 4.07Å; L74-V138 HydrophobicContact CD2-CG2 3.79Å; C115-V138 HydrophobicContact CB-CB 4.31Å; C115-V138 PolarHBondContact N-O 3.08Å; C115-V138 PolarHBondContact O-N 2.92Å; F117-V138 HydrophobicContact CD2-CG2 4.32Å; F117-V138 HydrophobicContact CE2-CB 4.25Å; F117-V138 HydrophobicContact CE2-CG2 3.78Å; V138-I140 HydrophobicContact CG1-CD1 4.2Å; V138-I140 HydrophobicContact CG1-CG1 4.05Å; V138-I208 CarbonylContact C-O 3.57Å; V138-I208 VanDerWaalsContact CA-O 3.24Å; V138-I208 WeakPolarHBondContact CA-O 3.29Å; V138-I208 HydrophobicContact CG2-CB 4.42Å; V138-L210 HydrophobicContact CG1-CD1 4.01Å; V138-L210 HydrophobicContact CG1-CD2 4.47Å; V138-L210 HydrophobicContact CG1-CG 3.99Å |
| 139 | G | 98.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 130.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L113 I208 V209 L210 | L113-G139 CarbonylContact O-C 3.53Å; L113-G139 WeakPolarHBondContact O-CA 3.5Å; G139-I208 PolarHBondContact N-O 3.49Å; G139-V209 WeakPolarHBondContact O-CA 3.47Å; G139-L210 PolarHBondContact O-N 2.76Å |
| 140 | I | 98.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 116.5 | -175 | -53.1 | 177.2 | 0 | 0 | 0 | 108.6 | E112 L113 V138 L182 L210 V214 | E112-I140 CarbonylContact C-O 3.55Å; E112-I140 WeakPolarHBondContact CA-O 3.36Å; L113-I140 HydrophobicContact CB-CB 4.25Å; L113-I140 HydrophobicContact CD2-CB 4.42Å; L113-I140 HydrophobicContact CD2-CD1 3.94Å; L113-I140 HydrophobicContact CG-CD1 4.49Å; L113-I140 PolarHBondContact N-O 3.38Å; L113-I140 PolarHBondContact O-N 3.11Å; V138-I140 HydrophobicContact CG1-CD1 4.2Å; V138-I140 HydrophobicContact CG1-CG1 4.05Å; I140-L182 HydrophobicContact CD1-CD2 3.42Å; I140-L182 VanDerWaalsContact CD1-CD2 3.42Å; I140-L210 HydrophobicContact CD1-CD1 4.04Å; I140-L210 HydrophobicContact CG1-CD1 3.88Å; I140-L210 HydrophobicContact CG1-CG 4.33Å; I140-V214 HydrophobicContact CG2-CB 4.33Å; I140-V214 HydrophobicContact CG2-CG2 3.67Å |
| 141 | F | 98.2 | Very high | 90.7 | Very high | 5 Ų | 5 | 48.1 Ų | 48.1 | 2% | 0.022 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 145.8 | 176.5 | -65.1 | -65.9 | 0 | 0 | 0 | 111.5 | H102 I104 C109 E112 V209 P213 V214 | H102-F141 HydrophobicContact CB-CE1 3.77Å; H102-F141 HydrophobicContact CB-CZ 3.55Å; H102-F141 WeakPolarHBondContact O-CE1 3.33Å; I104-F141 HydrophobicContact CD1-CD2 4.19Å; I104-F141 HydrophobicContact CD1-CE2 3.63Å; I104-F141 HydrophobicContact CD1-CZ 4.33Å; I104-F141 HydrophobicContact CG1-CE2 3.92Å; I104-F141 HydrophobicContact CG1-CZ 4.13Å; C109-F141 HydrophobicContact CB-CB 4.19Å; C109-F141 HydrophobicContact CB-CD1 4.01Å; C109-F141 HydrophobicContact CB-CG 4.45Å; E112-F141 HydrophobicContact CG-CD1 4.34Å; F141-V209 HydrophobicContact CD2-CG1 4.24Å; F141-V209 HydrophobicContact CE2-CG1 3.41Å; F141-V209 VanDerWaalsContact CE2-CG1 3.41Å; F141-V209 HydrophobicContact CZ-CG1 3.77Å; F141-P213 HydrophobicContact CB-CB 4.02Å; F141-P213 CarbonylContact O-C 3.45Å; F141-P213 VanDerWaalsContact O-CA 3.25Å; F141-P213 WeakPolarHBondContact O-CA 3.24Å; F141-V214 PolarHBondContact O-N 3.44Å |
| 142 | F | 97.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 134.3 | 165.5 | -74.6 | -80 | 0 | 0 | 0 | 111.7 | L90 C109 P110 A111 L113 L154 V214 M216 | L90-F142 HydrophobicContact CD2-CD2 4.14Å; L90-F142 HydrophobicContact CD2-CE2 3.51Å; L90-F142 HydrophobicContact CD2-CZ 4.16Å; L90-F142 HydrophobicContact CG-CE2 4.04Å; C109-F142 WeakPolarHBondContact CB-O 3.4Å; P110-F142 VanDerWaalsContact CD-O 3.26Å; P110-F142 WeakPolarHBondContact CD-O 3.35Å; P110-F142 WeakPolarHBondContact CG-O 3.42Å; A111-F142 HydrophobicContact CB-CB 4.09Å; A111-F142 HydrophobicContact CB-CD2 3.95Å; A111-F142 HydrophobicContact CB-CG 4.41Å; A111-F142 PolarHBondContact O-N 3.47Å; L113-F142 HydrophobicContact CB-CE2 3.59Å; L113-F142 HydrophobicContact CB-CZ 4.16Å; F142-L154 HydrophobicContact CD1-CD2 4.44Å; F142-L154 HydrophobicContact CE1-CD2 3.84Å; F142-L154 HydrophobicContact CZ-CD2 4.29Å; F142-V214 CarbonylContact C-O 3.56Å; F142-V214 VanDerWaalsContact CA-O 3.23Å; F142-V214 WeakPolarHBondContact CA-O 3.49Å; F142-V214 HydrophobicContact CD1-CB 4.08Å; F142-V214 HydrophobicContact CD1-CG1 4.21Å; F142-V214 WeakPolarHBondContact CD1-O 3.25Å; F142-V214 HydrophobicContact CE1-CB 4.01Å; F142-V214 HydrophobicContact CE1-CG1 3.84Å; F142-M216 HydrophobicContact CB-CB 4.46Å; F142-M216 HydrophobicContact CB-CG 4.09Å; F142-M216 HydrophobicContact CB-SD 3.65Å; F142-M216 HydrophobicContact CD1-CB 3.85Å; F142-M216 HydrophobicContact CD1-CG 4.4Å; F142-M216 HydrophobicContact CD1-SD 4.44Å; F142-M216 HydrophobicContact CG-CB 4.41Å; F142-M216 HydrophobicContact CG-CG 4.5Å; F142-M216 HydrophobicContact CG-SD 4.06Å |
| 143 | Q | 95.4 | Very high | 90.4 | Very high | 88 Ų | 88 | 43.1 Ų | 43.1 | 41% | 0.411 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 147.5 | 168 | 64.7 | 179.2 | -4.6 | 0 | 0 | 110.8 | P213 V214 V215 M216 | Q143-P213 HydrophobicContact CB-CB 4.2Å; Q143-P213 HydrophobicContact CB-CG 4.34Å; Q143-P213 HydrophobicContact CG-CB 4.04Å; Q143-P213 HydrophobicContact CG-CG 3.99Å; Q143-V214 PolarHBondContact N-O 3.4Å; Q143-V215 HydrophobicContact CG-CG2 4.03Å; Q143-V215 WeakPolarHBondContact O-CA 3.3Å; Q143-M216 PolarHBondContact O-N 3.45Å |
| 144 | L | 95.8 | Very high | 90.3 | Very high | 60 Ų | 60 | 41.4 Ų | 41.4 | 31% | 0.314 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 132.6 | 174.5 | -75.7 | 171.9 | 0 | 0 | 0 | 111 | N96 P110 M216 I218 L221 | N96-L144 HydrophobicContact CB-CD1 3.54Å; P110-L144 HydrophobicContact CB-CG 4.45Å; P110-L144 HydrophobicContact CG-CD1 4.31Å; P110-L144 HydrophobicContact CG-CG 3.87Å; L144-M216 WeakPolarHBondContact CA-O 3.4Å; L144-M216 HydrophobicContact CD2-CG 4Å; L144-I218 HydrophobicContact CD1-CD1 4.44Å; L144-I218 HydrophobicContact CD2-CB 4.46Å; L144-I218 HydrophobicContact CD2-CD1 4.44Å; L144-L221 HydrophobicContact CD1-CD2 4.26Å; L144-L221 HydrophobicContact CD2-CB 4.4Å; L144-L221 HydrophobicContact CD2-CD2 3.98Å; L144-L221 HydrophobicContact CG-CD2 4.41Å |
| 145 | G | 93.2 | Very high | 90.1 | Very high | 28 Ų | 28 | 47.6 Ų | 47.6 | 29% | 0.289 | 25% | 0.249 | S | C | . | . | trans | -138.4 | 164.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S147 M216 | G145-S147 VanDerWaalsContact C-N 3.32Å; G145-S147 PolarHBondContact O-N 3.49Å; G145-M216 PolarHBondContact N-O 3.22Å | ||
| 146 | K | 83.2 | Confident | 90 | Very high | 225 Ų | 225 | 52 Ų | 52 | 98% | 0.978 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -66.9 | -33 | -177.8 | -68.8 | -175.7 | 178.4 | 179.5 | 0 | 113.1 | ||
| 147 | S | 77.1 | Confident | 89.9 | Confident | 82 Ų | 82 | 52.1 Ų | 52.1 | 57% | 0.573 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -132.9 | 133.2 | 175.3 | -178.1 | 0 | 0 | 0 | 0 | 107 | G145 N149 V215 | G145-S147 VanDerWaalsContact C-N 3.32Å; G145-S147 PolarHBondContact O-N 3.49Å; S147-N149 PolarHBondContact O-N 2.84Å; S147-N149 VanDerWaalsContact O-N 3.08Å; S147-V215 WeakPolarHBondContact O-CG1 3.18Å |
| 148 | S | 65.7 | Low | 89.8 | Confident | 22 Ų | 22 | 52.3 Ų | 52.3 | 15% | 0.154 | 27% | 0.268 | C | S | . | . | trans | -65 | 112 | 168.4 | 53.9 | 0 | 0 | 0 | 0 | 106.9 | N150 | S148-N150 VanDerWaalsContact C-N 3.33Å; S148-N150 PolarHBondContact O-N 2.85Å | ||
| 149 | N | 61.3 | Low | 89.7 | Confident | 114 Ų | 114 | 55.6 Ų | 55.6 | 61% | 0.61 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -49.5 | 92.2 | 175.3 | -65.9 | -7.3 | 0 | 0 | 0 | 109.9 | S147 N151 V215 | S147-N149 PolarHBondContact O-N 2.84Å; S147-N149 VanDerWaalsContact O-N 3.08Å; N149-N151 PolarHBondContact O-N 2.81Å; N149-V215 HydrophobicContact CB-CB 4.37Å; N149-V215 WeakPolarHBondContact ND2-CG2 3.45Å |
| 150 | N | 68.7 | Low | 89.7 | Confident | 138 Ų | 138 | 55.8 Ų | 55.8 | 74% | 0.738 | 29% | 0.289 | S | S | * | . | S | Bend | trans | 36.6 | 26.1 | 178.5 | -67.5 | -23.1 | 0 | 0 | 0 | 117.1 | S148 N152 | S148-N150 VanDerWaalsContact C-N 3.33Å; S148-N150 PolarHBondContact O-N 2.85Å; N150-N152 PolarHBondContact O-N 3.11Å |
| 151 | N | 87.1 | Confident | 89.6 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | trans | -80.6 | 73.4 | -173.8 | -170.3 | -22.8 | 0 | 0 | 0 | 109 | N149 A153 L154 K155 T180 L181 V214 | N149-N151 PolarHBondContact O-N 2.81Å; N151-A153 VanDerWaalsContact C-N 3.26Å; N151-A153 PolarHBondContact O-N 3.13Å; N151-L154 HydrophobicContact CB-CB 4.35Å; N151-L154 VanDerWaalsContact CG-CB 3.48Å; N151-L154 PolarHBondContact O-N 3.22Å; N151-L154 WeakPolarHBondContact OD1-CB 3.21Å; N151-L154 PolarHBondContact OD1-N 3.24Å; N151-K155 PolarHBondContact O-N 3.39Å; N151-T180 PolarHBondContact ND2-O 2.82Å; N151-T180 PolarHBondContact OD1-O 3.45Å; N151-L181 WeakPolarHBondContact OD1-CD2 3.37Å; N151-V214 WeakPolarHBondContact ND2-CG1 3.42Å | ||
| 152 | N | 91.7 | Very high | 89.5 | Confident | 99 Ų | 99 | 63.6 Ų | 63.6 | 53% | 0.529 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.4 | -33.2 | -175.4 | -70.6 | -34.6 | 0 | 0 | 0 | 110.8 | N150 R156 | N150-N152 PolarHBondContact O-N 3.11Å; N152-R156 VanDerWaalsContact O-CB 3.31Å; N152-R156 WeakPolarHBondContact O-CB 3.45Å; N152-R156 PolarHBondContact O-N 2.97Å |
| 153 | A | 95.6 | Very high | 89.4 | Confident | 2 Ų | 2 | 67.1 Ų | 67.1 | 2% | 0.017 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.7 | -52.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | N151 K155 R156 L157 L176 D177 T180 L181 | N151-A153 VanDerWaalsContact C-N 3.26Å; N151-A153 PolarHBondContact O-N 3.13Å; A153-K155 VanDerWaalsContact C-N 3.34Å; A153-K155 PolarHBondContact O-N 3Å; A153-R156 PolarHBondContact O-N 3.25Å; A153-L157 VanDerWaalsContact O-CB 3.28Å; A153-L157 WeakPolarHBondContact O-CB 3.36Å; A153-L157 PolarHBondContact O-N 2.9Å; A153-L176 HydrophobicContact CB-CB 4.04Å; A153-D177 WeakPolarHBondContact CB-O 3.26Å; A153-T180 WeakPolarHBondContact CB-OG1 3.43Å; A153-T180 PolarHBondContact N-OG1 3.33Å; A153-L181 HydrophobicContact CB-CD1 4.23Å; A153-L181 HydrophobicContact CB-CD2 3.84Å; A153-L181 HydrophobicContact CB-CG 3.75Å |
| 154 | L | 96 | Very high | 89.4 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.9 | -39.5 | 179.8 | -175.4 | 60.6 | 0 | 0 | 0 | 111.9 | L90 F142 N151 L157 C158 L181 M216 Q220 | L90-L154 HydrophobicContact CD2-CD1 4.48Å; F142-L154 HydrophobicContact CD1-CD2 4.44Å; F142-L154 HydrophobicContact CE1-CD2 3.84Å; F142-L154 HydrophobicContact CZ-CD2 4.29Å; N151-L154 HydrophobicContact CB-CB 4.35Å; N151-L154 VanDerWaalsContact CG-CB 3.48Å; N151-L154 PolarHBondContact O-N 3.22Å; N151-L154 WeakPolarHBondContact OD1-CB 3.21Å; N151-L154 PolarHBondContact OD1-N 3.24Å; L154-L157 HydrophobicContact CD1-CD2 4.38Å; L154-L157 PolarHBondContact O-N 3.39Å; L154-C158 WeakPolarHBondContact O-CB 3.47Å; L154-C158 PolarHBondContact O-N 2.87Å; L154-C158 PolarHBondContact O-SG 2.93Å; L154-L181 HydrophobicContact CB-CD2 4.13Å; L154-M216 HydrophobicContact CD2-CB 3.81Å; L154-M216 HydrophobicContact CD2-CE 4.49Å; L154-Q220 HydrophobicContact CD2-CB 4.33Å; L154-Q220 HydrophobicContact CD2-CG 4.41Å; L154-Q220 HydrophobicContact CG-CG 4.34Å |
| 155 | K | 94.6 | Very high | 89.3 | Confident | 131 Ų | 131 | 67.8 Ų | 67.8 | 57% | 0.57 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.8 | -46.1 | 174.6 | -177.1 | 179.4 | 179.5 | 179.4 | 0 | 112.1 | N151 A153 T159 | N151-K155 PolarHBondContact O-N 3.39Å; A153-K155 VanDerWaalsContact C-N 3.34Å; A153-K155 PolarHBondContact O-N 3Å; K155-T159 PolarHBondContact O-N 2.88Å; K155-T159 PolarHBondContact O-OG1 3.42Å; K155-T159 VanDerWaalsContact O-OG1 3.08Å |
| 156 | R | 95.9 | Very high | 89.3 | Confident | 94 Ų | 94 | 70.8 Ų | 70.8 | 36% | 0.355 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.3 | -43 | 177.7 | 177.9 | 58 | 173.2 | 172.1 | -3.1 | 111 | N152 A153 C158 T159 L160 Q173 L176 | N152-R156 VanDerWaalsContact O-CB 3.31Å; N152-R156 WeakPolarHBondContact O-CB 3.45Å; N152-R156 PolarHBondContact O-N 2.97Å; A153-R156 PolarHBondContact O-N 3.25Å; R156-C158 PolarHBondContact O-N 3.02Å; R156-T159 WeakPolarHBondContact O-CB 3.26Å; R156-T159 PolarHBondContact O-N 3.45Å; R156-T159 VanDerWaalsContact O-N 3.12Å; R156-L160 HydrophobicContact CG-CD1 4.15Å; R156-L160 WeakPolarHBondContact O-CG 3.18Å; R156-L160 PolarHBondContact O-N 3.02Å; R156-Q173 PolarHBondContact NH2-O 3Å; R156-L176 HydrophobicContact CB-CD2 3.64Å; R156-L176 HydrophobicContact CG-CD2 3.44Å; R156-L176 VanDerWaalsContact CG-CD2 3.44Å |
| 157 | L | 97.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.4 | -47.7 | 176.1 | -177.6 | 61.4 | 0 | 0 | 0 | 111.6 | L57 F64 V66 F88 A153 L154 T159 L160 L161 L176 | L57-L157 HydrophobicContact CD1-CD1 4.06Å; F64-L157 HydrophobicContact CD2-CD1 4.37Å; F64-L157 HydrophobicContact CE2-CD1 4.05Å; F64-L157 HydrophobicContact CE2-CD2 3.64Å; F64-L157 HydrophobicContact CE2-CG 4.25Å; F64-L157 HydrophobicContact CZ-CD2 3.63Å; F64-L157 HydrophobicContact CZ-CG 4.34Å; V66-L157 HydrophobicContact CG2-CD1 3.94Å; F88-L157 HydrophobicContact CE2-CD2 4.19Å; A153-L157 VanDerWaalsContact O-CB 3.28Å; A153-L157 WeakPolarHBondContact O-CB 3.36Å; A153-L157 PolarHBondContact O-N 2.9Å; L154-L157 HydrophobicContact CD1-CD2 4.38Å; L154-L157 PolarHBondContact O-N 3.39Å; L157-T159 VanDerWaalsContact C-N 3.28Å; L157-T159 PolarHBondContact O-N 2.84Å; L157-L160 WeakPolarHBondContact O-CB 3.33Å; L157-L160 PolarHBondContact O-N 2.97Å; L157-L161 HydrophobicContact CD1-CG 4.44Å; L157-L161 HydrophobicContact CG-CD1 4.16Å; L157-L161 HydrophobicContact CG-CG 4.47Å; L157-L161 WeakPolarHBondContact O-CG 3.4Å; L157-L161 PolarHBondContact O-N 3.41Å; L157-L176 HydrophobicContact CB-CD1 4.37Å; L157-L176 HydrophobicContact CD1-CD1 4.38Å |
| 158 | C | 96.6 | Very high | 90.9 | Very high | 7 Ų | 7 | 63.2 Ų | 63.2 | 5% | 0.047 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.5 | -39.4 | 175.4 | -70.6 | 0 | 0 | 0 | 0 | 112.3 | L154 R156 L161 K162 T223 | L154-C158 WeakPolarHBondContact O-CB 3.47Å; L154-C158 PolarHBondContact O-N 2.87Å; L154-C158 PolarHBondContact O-SG 2.93Å; R156-C158 PolarHBondContact O-N 3.02Å; C158-L161 PolarHBondContact O-N 3.24Å; C158-K162 WeakPolarHBondContact O-CG 3.21Å; C158-K162 PolarHBondContact O-N 3.05Å; C158-K162 VanDerWaalsContact O-N 3.11Å; C158-T223 HydrophobicContact CB-CG2 3.88Å |
| 159 | T | 96.6 | Very high | 92.4 | Very high | 71 Ų | 71 | 65.7 Ų | 65.7 | 44% | 0.436 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63 | -41.4 | 174.4 | -57 | 0 | 0 | 0 | 0 | 112 | K155 R156 L157 S163 | K155-T159 PolarHBondContact O-N 2.88Å; K155-T159 PolarHBondContact O-OG1 3.42Å; K155-T159 VanDerWaalsContact O-OG1 3.08Å; R156-T159 WeakPolarHBondContact O-CB 3.26Å; R156-T159 PolarHBondContact O-N 3.45Å; R156-T159 VanDerWaalsContact O-N 3.12Å; L157-T159 VanDerWaalsContact C-N 3.28Å; L157-T159 PolarHBondContact O-N 2.84Å; T159-S163 PolarHBondContact O-N 2.89Å; T159-S163 PolarHBondContact O-OG 2.9Å |
| 160 | L | 97.5 | Very high | 94.1 | Very high | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.016 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68 | -42.2 | 178.4 | -67.9 | 166.2 | 0 | 0 | 0 | 111.5 | L57 R156 L157 K162 S163 T164 K170 I172 | L57-L160 HydrophobicContact CD2-CB 3.74Å; R156-L160 HydrophobicContact CG-CD1 4.15Å; R156-L160 WeakPolarHBondContact O-CG 3.18Å; R156-L160 PolarHBondContact O-N 3.02Å; L157-L160 WeakPolarHBondContact O-CB 3.33Å; L157-L160 PolarHBondContact O-N 2.97Å; L160-K162 VanDerWaalsContact C-N 3.32Å; L160-K162 PolarHBondContact O-N 3.36Å; L160-S163 PolarHBondContact O-N 3.43Å; L160-S163 VanDerWaalsContact O-N 3.08Å; L160-S163 PolarHBondContact O-OG 2.92Å; L160-T164 WeakPolarHBondContact O-CB 3.3Å; L160-T164 PolarHBondContact O-N 3.09Å; L160-T164 PolarHBondContact O-OG1 3.29Å; L160-K170 HydrophobicContact CD2-CD 4.44Å; L160-I172 HydrophobicContact CD1-CB 4.39Å; L160-I172 HydrophobicContact CD1-CD1 4.16Å; L160-I172 HydrophobicContact CD1-CG1 4.02Å; L160-I172 HydrophobicContact CD1-CG2 3.67Å |
| 161 | L | 97.2 | Very high | 95.5 | Very high | 16 Ų | 16 | 62.5 Ų | 62.5 | 8% | 0.084 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.5 | -39.5 | 176.6 | -70 | 172 | 0 | 0 | 0 | 112.2 | L57 V59 F64 L157 C158 S163 T223 L224 M227 | L57-L161 HydrophobicContact CD1-CD2 4.08Å; L57-L161 HydrophobicContact CD2-CD2 4.26Å; V59-L161 HydrophobicContact CG2-CD2 4.18Å; F64-L161 HydrophobicContact CB-CD2 3.86Å; F64-L161 HydrophobicContact CD1-CD1 3.95Å; F64-L161 HydrophobicContact CD1-CD2 3.84Å; F64-L161 HydrophobicContact CD2-CD2 4.47Å; F64-L161 HydrophobicContact CE1-CD1 3.87Å; F64-L161 HydrophobicContact CG-CD2 3.79Å; F64-L161 HydrophobicContact CZ-CD1 4.38Å; L157-L161 HydrophobicContact CD1-CG 4.44Å; L157-L161 HydrophobicContact CG-CD1 4.16Å; L157-L161 HydrophobicContact CG-CG 4.47Å; L157-L161 WeakPolarHBondContact O-CG 3.4Å; L157-L161 PolarHBondContact O-N 3.41Å; C158-L161 PolarHBondContact O-N 3.24Å; L161-S163 PolarHBondContact O-N 2.64Å; L161-T223 HydrophobicContact CB-CG2 4.42Å; L161-L224 HydrophobicContact CD1-CD2 3.96Å; L161-M227 HydrophobicContact CD1-SD 4.26Å; L161-M227 HydrophobicContact CD2-CE 4.11Å; L161-M227 HydrophobicContact CD2-SD 4.04Å |
| 162 | K | 95.6 | Very high | 96 | Very high | 153 Ų | 153 | 62.5 Ų | 62.5 | 67% | 0.665 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -67 | -23 | 175.4 | -71.5 | 177.8 | -174.2 | -179.3 | 0 | 114 | C158 L160 T223 | C158-K162 WeakPolarHBondContact O-CG 3.21Å; C158-K162 PolarHBondContact O-N 3.05Å; C158-K162 VanDerWaalsContact O-N 3.11Å; L160-K162 VanDerWaalsContact C-N 3.32Å; L160-K162 PolarHBondContact O-N 3.36Å; K162-T223 HydrophobicContact CD-CG2 4.27Å; K162-T223 VanDerWaalsContact CE-CG2 3.49Å; K162-T223 WeakPolarHBondContact CE-OG1 3.34Å; K162-T223 HydrophobicContact CG-CG2 3.82Å; K162-T223 PolarHBondContact NZ-OG1 3.37Å |
| 163 | S | 95.5 | Very high | 96.2 | Very high | 75 Ų | 75 | 63.1 Ų | 63.1 | 52% | 0.524 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -110.2 | -0.8 | -172.4 | 56.7 | 0 | 0 | 0 | 0 | 114.5 | T159 L160 L161 | T159-S163 PolarHBondContact O-N 2.89Å; T159-S163 PolarHBondContact O-OG 2.9Å; L160-S163 PolarHBondContact O-N 3.43Å; L160-S163 VanDerWaalsContact O-N 3.08Å; L160-S163 PolarHBondContact O-OG 2.92Å; L161-S163 PolarHBondContact O-N 2.64Å |
| 164 | T | 95.7 | Very high | 96.2 | Very high | 12 Ų | 12 | 67.7 Ų | 67.7 | 7% | 0.074 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -119.1 | 130.5 | -177 | -49.8 | 0 | 0 | 0 | 0 | 108.8 | V59 L160 E168 K170 | V59-T164 HydrophobicContact CB-CG2 4.37Å; V59-T164 HydrophobicContact CG2-CG2 3.62Å; L160-T164 WeakPolarHBondContact O-CB 3.3Å; L160-T164 PolarHBondContact O-N 3.09Å; L160-T164 PolarHBondContact O-OG1 3.29Å; T164-E168 HydrophobicContact CG2-CB 3.78Å; T164-K170 HydrophobicContact CG2-CB 4.41Å |
| 165 | K | 94.1 | Very high | 96.2 | Very high | 149 Ų | 149 | 71 Ų | 71 | 65% | 0.648 | 37% | 0.371 | S | S | * | . | trans | -80.2 | 159.5 | -175.2 | -57.3 | 177.3 | -176.1 | 168.6 | 0 | 111.3 | G167 E168 | K165-G167 PolarHBondContact O-N 2.75Å; K165-E168 HydrophobicContact CB-CG 4.05Å; K165-E168 PolarHBondContact N-OE2 2.92Å; K165-E168 WeakPolarHBondContact O-CB 3.44Å; K165-E168 PolarHBondContact O-N 3.11Å; K165-E168 VanDerWaalsContact O-N 3.08Å | ||
| 166 | K | 93.5 | Very high | 96.3 | Very high | 91 Ų | 91 | 65.2 Ų | 65.2 | 40% | 0.396 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 133.9 | 171.6 | -60.7 | -179.7 | 178.5 | -161.8 | 0 | 110.3 | D61 E168 M227 | D61-K166 WeakPolarHBondContact O-CD 3.35Å; D61-K166 WeakPolarHBondContact O-CE 3.36Å; D61-K166 PolarHBondContact O-NZ 2.87Å; K166-E168 VanDerWaalsContact C-N 3.29Å; K166-M227 WeakPolarHBondContact CE-O 3.42Å; K166-M227 PolarHBondContact NZ-O 2.84Å |
| 167 | G | 95.1 | Very high | 96.2 | Very high | 64 Ų | 64 | 64.6 Ų | 64.6 | 66% | 0.66 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.1 | -9.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | V59 K165 | V59-G167 WeakPolarHBondContact O-CA 3.21Å; V59-G167 PolarHBondContact O-N 3.11Å; K165-G167 PolarHBondContact O-N 2.75Å |
| 168 | E | 97.4 | Very high | 96.2 | Very high | 85 Ų | 85 | 64.8 Ų | 64.8 | 40% | 0.397 | 35% | 0.351 | S | S | . | . | trans | -85.7 | 152.1 | 177.8 | -65.7 | 179.4 | 167.5 | 0 | 0 | 111.9 | V59 T164 K165 K166 | V59-E168 PolarHBondContact N-O 3.21Å; T164-E168 HydrophobicContact CG2-CB 3.78Å; K165-E168 HydrophobicContact CB-CG 4.05Å; K165-E168 PolarHBondContact N-OE2 2.92Å; K165-E168 WeakPolarHBondContact O-CB 3.44Å; K165-E168 PolarHBondContact O-N 3.11Å; K165-E168 VanDerWaalsContact O-N 3.08Å; K166-E168 VanDerWaalsContact C-N 3.29Å | ||
| 169 | S | 98.1 | Very high | 96.1 | Very high | 74 Ų | 74 | 68.6 Ų | 68.6 | 52% | 0.517 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 144.9 | 169.9 | -56.4 | 0 | 0 | 0 | 0 | 110 | L57 H58 | L57-S169 CarbonylContact O-C 3.55Å; L57-S169 WeakPolarHBondContact O-CA 3.34Å; H58-S169 WeakPolarHBondContact ND1-CB 3.37Å; H58-S169 PolarHBondContact ND1-OG 3.24Å |
| 170 | K | 97.2 | Very high | 96 | Very high | 92 Ų | 92 | 66.7 Ų | 66.7 | 40% | 0.4 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 126.2 | -175.1 | -175.4 | 173 | -177.8 | 173.4 | 0 | 111.3 | L57 L160 T164 | L57-K170 PolarHBondContact N-O 3.11Å; L57-K170 PolarHBondContact O-N 3.41Å; L160-K170 HydrophobicContact CD2-CD 4.44Å; T164-K170 HydrophobicContact CG2-CB 4.41Å |
| 171 | D | 97.8 | Very high | 95.9 | Very high | 92 Ų | 92 | 66.7 Ų | 66.7 | 49% | 0.492 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 134.8 | 169.4 | -70.9 | -32.4 | 0 | 0 | 0 | 110.7 | N54 T56 Q173 | N54-D171 PolarHBondContact ND2-OD1 3.05Å; T56-D171 PolarHBondContact OG1-OD1 3.38Å; D171-Q173 PolarHBondContact O-N 3.09Å |
| 172 | I | 98 | Very high | 95.8 | Very high | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | trans | -94.6 | 103.1 | -175.8 | -52.1 | 179.8 | 0 | 0 | 0 | 108.8 | Q55 L57 V66 L160 P174 M175 L176 | Q55-I172 HydrophobicContact CB-CB 4.13Å; Q55-I172 HydrophobicContact CB-CD1 4.16Å; Q55-I172 HydrophobicContact CB-CG1 4.37Å; Q55-I172 PolarHBondContact O-N 3.01Å; L57-I172 HydrophobicContact CB-CD1 3.97Å; L57-I172 HydrophobicContact CB-CG1 4.06Å; V66-I172 HydrophobicContact CG1-CD1 3.83Å; V66-I172 HydrophobicContact CG2-CD1 4.18Å; L160-I172 HydrophobicContact CD1-CB 4.39Å; L160-I172 HydrophobicContact CD1-CD1 4.16Å; L160-I172 HydrophobicContact CD1-CG1 4.02Å; L160-I172 HydrophobicContact CD1-CG2 3.67Å; I172-P174 WeakPolarHBondContact CG2-O 3.09Å; I172-P174 CarbonylContact O-C 3.54Å; I172-M175 PolarHBondContact O-N 3.05Å; I172-L176 HydrophobicContact CD1-CD1 3.87Å; I172-L176 HydrophobicContact CD1-CG 4.17Å; I172-L176 HydrophobicContact CG2-CD2 4.01Å; I172-L176 HydrophobicContact CG2-CG 3.94Å | ||
| 173 | Q | 95 | Very high | 95.8 | Very high | 113 Ų | 113 | 60.1 Ų | 60.1 | 53% | 0.528 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -125.9 | 128.9 | 175.2 | -63.7 | -61.1 | -29.1 | 0 | 0 | 110.4 | N54 R156 D171 | N54-Q173 PolarHBondContact OD1-NE2 3.11Å; R156-Q173 PolarHBondContact NH2-O 3Å; D171-Q173 PolarHBondContact O-N 3.09Å |
| 174 | P | 95.2 | Very high | 95.7 | Very high | 98 Ų | 98 | 64 Ų | 64 | 64% | 0.636 | 35% | 0.347 | S | S | * | . | S | Bend | cis | -61.4 | 155.5 | -13.6 | 30.4 | -36.2 | 0 | 0 | 0 | 111.5 | I172 | I172-P174 WeakPolarHBondContact CG2-O 3.09Å; I172-P174 CarbonylContact O-C 3.54Å |
| 175 | M | 96.2 | Very high | 95.7 | Very high | 70 Ų | 70 | 66.1 Ų | 66.1 | 35% | 0.345 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 150.1 | 177.3 | -68.6 | -167 | -63 | 0 | 0 | 111.7 | L52 Q55 I172 | L52-M175 HydrophobicContact CB-CE 4.21Å; L52-M175 HydrophobicContact CB-SD 4.44Å; Q55-M175 HydrophobicContact CG-CG 4.32Å; Q55-M175 HydrophobicContact CG-SD 4.19Å; I172-M175 PolarHBondContact O-N 3.05Å |
| 176 | L | 96.8 | Very high | 95.8 | Very high | 8 Ų | 8 | 60.7 Ų | 60.7 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 131.3 | 170.4 | -52.4 | 176.5 | 0 | 0 | 0 | 109.8 | Q55 F88 A153 R156 L157 I172 L178 | Q55-L176 PolarHBondContact NE2-O 3.04Å; Q55-L176 VanDerWaalsContact OE1-CB 3.3Å; F88-L176 HydrophobicContact CZ-CD1 3.92Å; A153-L176 HydrophobicContact CB-CB 4.04Å; R156-L176 HydrophobicContact CB-CD2 3.64Å; R156-L176 HydrophobicContact CG-CD2 3.44Å; R156-L176 VanDerWaalsContact CG-CD2 3.44Å; L157-L176 HydrophobicContact CB-CD1 4.37Å; L157-L176 HydrophobicContact CD1-CD1 4.38Å; I172-L176 HydrophobicContact CD1-CD1 3.87Å; I172-L176 HydrophobicContact CD1-CG 4.17Å; I172-L176 HydrophobicContact CG2-CD2 4.01Å; I172-L176 HydrophobicContact CG2-CG 3.94Å; L176-L178 HydrophobicContact CB-CD2 4Å; L176-L178 PolarHBondContact O-N 3.01Å; L176-L178 VanDerWaalsContact O-N 3.11Å |
| 177 | D | 95 | Very high | 96 | Very high | 82 Ų | 82 | 58.5 Ų | 58.5 | 44% | 0.439 | 33% | 0.332 | S | S | . | . | trans | -75.6 | 94.8 | 169.7 | 179.3 | 9.3 | 0 | 0 | 0 | 110.2 | A153 N179 T180 | A153-D177 WeakPolarHBondContact CB-O 3.26Å; D177-N179 PolarHBondContact O-N 2.78Å; D177-N179 WeakPolarHBondContact OD1-CB 3.21Å; D177-N179 PolarHBondContact OD1-N 3.34Å; D177-N179 PolarHBondContact OD1-ND2 3.29Å; D177-T180 HydrophobicContact CB-CG2 4.32Å; D177-T180 PolarHBondContact O-N 2.79Å; D177-T180 VanDerWaalsContact O-N 3.11Å; D177-T180 PolarHBondContact O-OG1 2.77Å; D177-T180 WeakPolarHBondContact OD2-CG2 3.33Å | ||
| 178 | L | 96 | Very high | 96.1 | Very high | 5 Ų | 5 | 59.4 Ų | 59.4 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -66 | -18.1 | -175 | -56.7 | -171.4 | 0 | 0 | 0 | 113.3 | F49 L52 L85 F88 L176 T180 L181 | F49-L178 HydrophobicContact CD1-CB 4.36Å; F49-L178 HydrophobicContact CD1-CD1 4.22Å; F49-L178 HydrophobicContact CD2-CB 3.74Å; F49-L178 HydrophobicContact CE1-CB 4.25Å; F49-L178 HydrophobicContact CE1-CD1 4.11Å; F49-L178 HydrophobicContact CE2-CB 3.58Å; F49-L178 HydrophobicContact CG-CB 4.12Å; F49-L178 HydrophobicContact CZ-CB 3.85Å; F49-L178 HydrophobicContact CZ-CD1 4.42Å; L52-L178 HydrophobicContact CD1-CD1 3.81Å; L52-L178 HydrophobicContact CD1-CG 4.2Å; L85-L178 HydrophobicContact CD2-CD1 3.72Å; F88-L178 HydrophobicContact CD1-CD2 4.33Å; F88-L178 HydrophobicContact CE1-CD1 4.33Å; F88-L178 HydrophobicContact CE1-CD2 3.54Å; F88-L178 HydrophobicContact CZ-CD2 3.94Å; L176-L178 HydrophobicContact CB-CD2 4Å; L176-L178 PolarHBondContact O-N 3.01Å; L176-L178 VanDerWaalsContact O-N 3.11Å; L178-T180 PolarHBondContact O-N 2.83Å; L178-L181 HydrophobicContact CD2-CD1 3.86Å; L178-L181 WeakPolarHBondContact O-CB 3.27Å; L178-L181 PolarHBondContact O-N 3.42Å |
| 179 | N | 94.5 | Very high | 96.2 | Very high | 86 Ų | 86 | 55.4 Ų | 55.4 | 46% | 0.46 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -60.3 | -32.1 | 173.2 | -62.5 | -73.6 | 0 | 0 | 0 | 111.3 | D177 L181 L182 | D177-N179 PolarHBondContact O-N 2.78Å; D177-N179 WeakPolarHBondContact OD1-CB 3.21Å; D177-N179 PolarHBondContact OD1-N 3.34Å; D177-N179 PolarHBondContact OD1-ND2 3.29Å; N179-L181 PolarHBondContact O-N 2.77Å; N179-L182 PolarHBondContact O-N 2.67Å; N179-L182 VanDerWaalsContact O-N 3.11Å |
| 180 | T | 94.2 | Very high | 96.2 | Very high | 31 Ų | 31 | 52 Ų | 52 | 19% | 0.19 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -73.3 | -7.1 | 178.2 | 68.4 | 0 | 0 | 0 | 0 | 114 | N151 A153 D177 L178 | N151-T180 PolarHBondContact ND2-O 2.82Å; N151-T180 PolarHBondContact OD1-O 3.45Å; A153-T180 WeakPolarHBondContact CB-OG1 3.43Å; A153-T180 PolarHBondContact N-OG1 3.33Å; D177-T180 HydrophobicContact CB-CG2 4.32Å; D177-T180 PolarHBondContact O-N 2.79Å; D177-T180 VanDerWaalsContact O-N 3.11Å; D177-T180 PolarHBondContact O-OG1 2.77Å; D177-T180 WeakPolarHBondContact OD2-CG2 3.33Å; L178-T180 PolarHBondContact O-N 2.83Å |
| 181 | L | 95.3 | Very high | 96.2 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -93.4 | -8.8 | 171.5 | -62.2 | 178.4 | 0 | 0 | 0 | 112.9 | F88 L113 N151 A153 L154 L178 N179 | F88-L181 HydrophobicContact CD2-CD1 4.48Å; F88-L181 HydrophobicContact CE2-CD1 4.02Å; F88-L181 HydrophobicContact CZ-CD1 4.11Å; L113-L181 HydrophobicContact CD2-CB 3.79Å; L113-L181 HydrophobicContact CD2-CD1 4.29Å; L113-L181 HydrophobicContact CD2-CG 4.48Å; N151-L181 WeakPolarHBondContact OD1-CD2 3.37Å; A153-L181 HydrophobicContact CB-CD1 4.23Å; A153-L181 HydrophobicContact CB-CD2 3.84Å; A153-L181 HydrophobicContact CB-CG 3.75Å; L154-L181 HydrophobicContact CB-CD2 4.13Å; L178-L181 HydrophobicContact CD2-CD1 3.86Å; L178-L181 WeakPolarHBondContact O-CB 3.27Å; L178-L181 PolarHBondContact O-N 3.42Å; N179-L181 PolarHBondContact O-N 2.77Å |
| 182 | L | 96 | Very high | 96.3 | Very high | 21 Ų | 21 | 43.7 Ų | 43.7 | 11% | 0.11 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -95.5 | 149.7 | 177.6 | -58.9 | -174.1 | 0 | 0 | 0 | 110.4 | V47 F49 I140 N179 L186 | V47-L182 HydrophobicContact CB-CD1 4.11Å; V47-L182 HydrophobicContact CG2-CD1 4.35Å; F49-L182 HydrophobicContact CE2-CD1 3.6Å; F49-L182 HydrophobicContact CE2-CG 4.08Å; F49-L182 HydrophobicContact CZ-CD1 4.13Å; I140-L182 HydrophobicContact CD1-CD2 3.42Å; I140-L182 VanDerWaalsContact CD1-CD2 3.42Å; N179-L182 PolarHBondContact O-N 2.67Å; N179-L182 VanDerWaalsContact O-N 3.11Å; L182-L186 HydrophobicContact CB-CD2 4.31Å; L182-L186 HydrophobicContact CD1-CD1 4.13Å |
| 183 | P | 95.1 | Very high | 96.3 | Very high | 10 Ų | 10 | 46.8 Ų | 46.8 | 7% | 0.065 | 25% | 0.254 | C | S | . | . | trans | -68.2 | 167.4 | 164.2 | 30.5 | -32.9 | 0 | 0 | 0 | 110.9 | L186 L210 E212 V214 | P183-L186 HydrophobicContact CG-CD2 4.08Å; P183-L210 HydrophobicContact CG-CB 4.14Å; P183-L210 HydrophobicContact CG-CD1 3.39Å; P183-L210 HydrophobicContact CG-CG 4.36Å; P183-E212 HydrophobicContact CB-CB 3.68Å; P183-E212 HydrophobicContact CB-CG 3.75Å; P183-E212 WeakPolarHBondContact CB-O 3.4Å; P183-E212 HydrophobicContact CG-CB 4.35Å; P183-V214 HydrophobicContact CB-CG2 4.39Å | ||
| 184 | N | 92.6 | Very high | 96.4 | Very high | 156 Ų | 156 | 41.5 Ų | 41.5 | 83% | 0.834 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -73.2 | -36.4 | -178.9 | -61.8 | -61.2 | 0 | 0 | 0 | 111.6 | E212 | N184-E212 PolarHBondContact N-OE2 3.26Š|
| 185 | D | 95.8 | Very high | 96.6 | Very high | 56 Ų | 56 | 36.8 Ų | 36.8 | 30% | 0.299 | 20% | 0.199 | S | C | . | . | trans | -99.1 | 105.2 | -179.5 | -171 | 1.3 | 0 | 0 | 0 | 112 | S187 R188 E212 | D185-S187 WeakPolarHBondContact OD1-CA 3.11Å; D185-S187 WeakPolarHBondContact OD1-CB 3.24Å; D185-S187 PolarHBondContact OD1-N 2.92Å; D185-S187 PolarHBondContact OD1-OG 2.73Å; D185-S187 PolarHBondContact OD2-OG 2.91Å; D185-R188 WeakPolarHBondContact OD2-CD 3.39Å; D185-R188 VanDerWaalsContact OD2-CG 3.31Å; D185-R188 WeakPolarHBondContact OD2-CG 3.44Å; D185-E212 PolarHBondContact N-OE2 3.24Å | ||
| 186 | L | 97.4 | Very high | 96.7 | Very high | 35 Ų | 35 | 35 Ų | 35 | 18% | 0.183 | 19% | 0.19 | C | C | . | . | trans | -92.1 | 3.7 | 174.2 | -55.8 | -174.3 | 0 | 0 | 0 | 113.1 | I45 V47 L182 P183 L210 | I45-L186 HydrophobicContact CG1-CB 3.85Å; I45-L186 WeakPolarHBondContact CG1-O 3.47Å; I45-L186 PolarHBondContact N-O 3.37Å; V47-L186 HydrophobicContact CG2-CD1 4.49Å; L182-L186 HydrophobicContact CB-CD2 4.31Å; L182-L186 HydrophobicContact CD1-CD1 4.13Å; P183-L186 HydrophobicContact CG-CD2 4.08Å; L186-L210 HydrophobicContact CD2-CD1 3.7Å | ||
| 187 | S | 97.7 | Very high | 96.8 | Very high | 46 Ų | 46 | 34.8 Ų | 34.8 | 32% | 0.322 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -82.7 | -19.6 | 176.9 | 76.7 | 0 | 0 | 0 | 0 | 113 | D185 S254 | D185-S187 WeakPolarHBondContact OD1-CA 3.11Å; D185-S187 WeakPolarHBondContact OD1-CB 3.24Å; D185-S187 PolarHBondContact OD1-N 2.92Å; D185-S187 PolarHBondContact OD1-OG 2.73Å; D185-S187 PolarHBondContact OD2-OG 2.91Å; S187-S254 WeakPolarHBondContact O-CB 3.06Å; S187-S254 PolarHBondContact O-OG 3.05Å |
| 188 | R | 97.8 | Very high | 96.8 | Very high | 83 Ų | 83 | 32.2 Ų | 32.2 | 31% | 0.313 | 18% | 0.177 | S | C | . | . | trans | -106.6 | 107.9 | -175.1 | -64.2 | 174.6 | 62.2 | 86.1 | -1.3 | 112.1 | D185 D211 S254 F255 | D185-R188 WeakPolarHBondContact OD2-CD 3.39Å; D185-R188 VanDerWaalsContact OD2-CG 3.31Å; D185-R188 WeakPolarHBondContact OD2-CG 3.44Å; R188-D211 HydrophobicContact CB-CB 3.9Å; R188-D211 IonicContact CZ-OD2 3.27Å; R188-D211 VanDerWaalsContact CZ-OD2 3.27Å; R188-D211 IonicContact NE-OD2 2.91Å; R188-D211 PolarHBondContact NE-OD2 3.11Å; R188-D211 IonicContact NH2-OD2 2.78Å; R188-D211 PolarHBondContact NH2-OD2 3.02Å; R188-D211 WeakPolarHBondContact O-CB 3.41Å; R188-D211 PolarHBondContact O-N 3.28Å; R188-S254 WeakPolarHBondContact CA-OG 3.31Å; R188-F255 HydrophobicContact CB-CD1 3.67Å; R188-F255 HydrophobicContact CB-CE1 3.92Å; R188-F255 HydrophobicContact CB-CG 4.2Å; R188-F255 HydrophobicContact CG-CB 4.13Å; R188-F255 HydrophobicContact CG-CD1 4.04Å; R188-F255 HydrophobicContact CG-CG 4.08Å; R188-F255 VanDerWaalsContact NH1-CD2 3.3Å | ||
| 189 | Y | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 164.8 | 179.8 | 60.5 | -92.4 | 0 | 0 | 0 | 112.6 | L42 T43 I45 G77 T191 I208 V209 S254 | L42-Y189 WeakPolarHBondContact CB-OH 3.26Å; L42-Y189 HydrophobicContact CD1-CE2 4.15Å; L42-Y189 HydrophobicContact CD2-CE2 4.41Å; T43-Y189 WeakPolarHBondContact O-CE1 3.4Å; T43-Y189 PolarHBondContact O-OH 3.22Å; I45-Y189 HydrophobicContact CG2-CD1 4.15Å; I45-Y189 HydrophobicContact CG2-CE1 3.78Å; G77-Y189 WeakPolarHBondContact CA-OH 3.15Å; Y189-T191 HydrophobicContact CE2-CG2 4.24Å; Y189-I208 HydrophobicContact CD2-CG2 3.77Å; Y189-I208 HydrophobicContact CE2-CG2 4.47Å; Y189-I208 HydrophobicContact CG-CG2 3.81Å; Y189-V209 CarbonylContact C-O 3.48Å; Y189-V209 VanDerWaalsContact CA-O 3.27Å; Y189-V209 WeakPolarHBondContact CA-O 3.39Å; Y189-V209 WeakPolarHBondContact CB-O 3.2Å; Y189-S254 PolarHBondContact N-OG 3.12Å; Y189-S254 PolarHBondContact O-N 2.9Å; Y189-S254 VanDerWaalsContact O-N 3.1Å; Y189-S254 PolarHBondContact O-OG 3.18Å |
| 190 | Y | 98.1 | Very high | 96.9 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 143.2 | 170.3 | -48.4 | -68.3 | 0 | 0 | 0 | 109.7 | L31 M36 I104 I208 V209 D211 R252 C253 F255 V257 | L31-Y190 HydrophobicContact CD1-CD2 3.73Å; L31-Y190 HydrophobicContact CD1-CE2 4.4Å; L31-Y190 HydrophobicContact CD1-CG 4.22Å; M36-Y190 HydrophobicContact CE-CD1 3.52Å; M36-Y190 HydrophobicContact CE-CE1 3.67Å; M36-Y190 HydrophobicContact CE-CG 4Å; M36-Y190 HydrophobicContact SD-CD1 3.26Å; M36-Y190 WeakPolarHBondContact SD-CD1 3.5Å; M36-Y190 HydrophobicContact SD-CE1 3.32Å; M36-Y190 WeakPolarHBondContact SD-CE1 3.22Å; M36-Y190 HydrophobicContact SD-CG 4.27Å; I104-Y190 HydrophobicContact CD1-CE2 3.87Å; I104-Y190 HydrophobicContact CG1-CE2 4.38Å; Y190-I208 CarbonylContact O-C 3.42Å; Y190-I208 WeakPolarHBondContact O-CA 3.4Å; Y190-V209 PolarHBondContact N-O 2.65Å; Y190-V209 PolarHBondContact O-N 3.2Å; Y190-D211 HydrophobicContact CE2-CB 4.49Å; Y190-D211 PolarHBondContact OH-OD1 3.26Å; Y190-R252 CarbonylContact C-O 3.52Å; Y190-R252 WeakPolarHBondContact CA-O 3.33Å; Y190-C253 HydrophobicContact CD1-CB 3.82Å; Y190-C253 HydrophobicContact CE1-CB 4.16Å; Y190-F255 HydrophobicContact CD1-CE1 4.35Å; Y190-F255 HydrophobicContact CD1-CZ 4.4Å; Y190-F255 AromaticContact CE1-CE1 3.9Å; Y190-F255 HydrophobicContact CE1-CE1 3.9Å; Y190-F255 HydrophobicContact CE1-CE2 4.42Å; Y190-F255 AromaticContact CE1-CZ 3.52Å; Y190-F255 HydrophobicContact CE1-CZ 3.52Å; Y190-F255 HydrophobicContact CE2-CZ 4.41Å; Y190-F255 AromaticContact CZ-CZ 3.57Å; Y190-V257 HydrophobicContact CE1-CG2 4.16Å |
| 191 | T | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 141.2 | 177.9 | -175.7 | 0 | 0 | 0 | 0 | 113.3 | L42 P78 Y189 W207 R252 | L42-T191 HydrophobicContact CD1-CG2 3.9Å; L42-T191 HydrophobicContact CD2-CG2 4.22Å; P78-T191 HydrophobicContact CB-CG2 4.03Å; P78-T191 HydrophobicContact CG-CG2 4.26Å; P78-T191 WeakPolarHBondContact CG-OG1 3.17Å; Y189-T191 HydrophobicContact CE2-CG2 4.24Å; T191-W207 WeakPolarHBondContact CA-O 3.24Å; T191-W207 VanDerWaalsContact CB-O 3.27Å; T191-W207 WeakPolarHBondContact CB-O 2.94Å; T191-W207 PolarHBondContact OG1-O 3.28Å; T191-R252 HydrophobicContact CG2-CB 3.94Å; T191-R252 PolarHBondContact N-O 2.91Å; T191-R252 PolarHBondContact O-N 2.78Å |
| 192 | Y | 98.3 | Very high | 97.2 | Very high | 7 Ų | 7 | 30.4 Ų | 30.4 | 3% | 0.027 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 157.9 | 178 | 74 | -78.8 | 0 | 0 | 0 | 110.8 | S27 I29 L31 H102 W207 | S27-Y192 WeakPolarHBondContact CB-OH 3.43Å; S27-Y192 WeakPolarHBondContact OG-CE2 3.39Å; S27-Y192 PolarHBondContact OG-OH 3.1Å; I29-Y192 HydrophobicContact CD1-CD1 4Å; I29-Y192 HydrophobicContact CD1-CD2 3.73Å; I29-Y192 HydrophobicContact CD1-CE1 3.99Å; I29-Y192 HydrophobicContact CD1-CE2 3.74Å; I29-Y192 HydrophobicContact CD1-CG 3.88Å; I29-Y192 HydrophobicContact CG1-CD2 4.48Å; I29-Y192 HydrophobicContact CG1-CE1 4.02Å; I29-Y192 HydrophobicContact CG1-CE2 4Å; I29-Y192 HydrophobicContact CG2-CE2 4.32Å; L31-Y192 HydrophobicContact CD2-CD1 4.45Å; L31-Y192 HydrophobicContact CD2-CE1 4.47Å; H102-Y192 AromaticContact NE2-CE1 3.53Å; H102-Y192 AromaticContact NE2-CZ 3.48Å; H102-Y192 PolarHBondContact NE2-OH 3.23Å; Y192-W207 HydrophobicContact CD1-CB 3.64Å; Y192-W207 HydrophobicContact CD1-CG 4.33Å; Y192-W207 HydrophobicContact CE1-CB 3.32Å; Y192-W207 AromaticContact CE1-CD1 3.98Å; Y192-W207 HydrophobicContact CE1-CD2 4.43Å; Y192-W207 AromaticContact CE1-CG 3.61Å; Y192-W207 HydrophobicContact CE1-CG 3.61Å; Y192-W207 AromaticContact CE2-CD1 3.83Å; Y192-W207 HydrophobicContact CE2-CG 4.3Å; Y192-W207 HydrophobicContact CG-CB 4.35Å; Y192-W207 AromaticContact CZ-CD1 3.48Å; Y192-W207 VanDerWaalsContact CZ-CD1 3.48Å; Y192-W207 AromaticContact CZ-CG 3.57Å; Y192-W207 PolarHBondContact N-O 3.47Å; Y192-W207 PolarHBondContact O-N 2.77Å |
| 193 | S | 98.1 | Very high | 97.3 | Very high | 66 Ų | 66 | 32.4 Ų | 32.4 | 46% | 0.462 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 129.6 | 170.9 | -52.8 | 0 | 0 | 0 | 0 | 110.5 | R249 | S193-R249 WeakPolarHBondContact O-CD 3.36Å; S193-R249 PolarHBondContact O-NH1 3.3Å |
| 194 | G | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 32 Ų | 32 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | -154.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | K25 S27 E203 C204 V205 | K25-G194 CarbonylContact O-C 3.59Å; K25-G194 WeakPolarHBondContact O-CA 3.42Å; S27-G194 WeakPolarHBondContact OG-CA 3.33Å; G194-E203 CarbonylContact O-C 3.2Å; G194-E203 WeakPolarHBondContact O-CA 3.24Å; G194-C204 PolarHBondContact O-N 2.88Å; G194-V205 PolarHBondContact N-O 2.97Å; G194-V205 PolarHBondContact O-N 3.28Å |
| 195 | S | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -124.8 | 172 | -178.3 | 75.6 | 0 | 0 | 0 | 0 | 112.7 | K25 Q26 S27 N202 V205 W207 | K25-S195 PolarHBondContact O-N 2.68Å; Q26-S195 WeakPolarHBondContact CA-OG 3.3Å; Q26-S195 PolarHBondContact NE2-OG 3.18Å; Q26-S195 PolarHBondContact OE1-OG 3.21Å; S27-S195 WeakPolarHBondContact CB-O 3.13Å; S27-S195 PolarHBondContact N-OG 2.66Å; S27-S195 PolarHBondContact OG-N 3.19Å; S195-N202 CarbonylContact C-O 3.52Å; S195-N202 WeakPolarHBondContact CA-O 3.32Å; S195-N202 VanDerWaalsContact CB-O 3.22Å; S195-N202 WeakPolarHBondContact CB-O 3.38Å; S195-V205 VanDerWaalsContact C-CG2 3.44Å; S195-W207 PolarHBondContact O-NE1 2.81Å | ||
| 196 | L | 98.3 | Very high | 97.9 | Very high | 31 Ų | 31 | 22.9 Ų | 22.9 | 16% | 0.162 | 13% | 0.128 | C | C | . | . | trans | -58.8 | 140.3 | 154.4 | -65 | 173.3 | 0 | 0 | 0 | 109.3 | I129 L135 T198 N202 V205 | I129-L196 HydrophobicContact CG2-CD1 4.49Å; L135-L196 HydrophobicContact CD1-CD2 3.74Å; L135-L196 HydrophobicContact CD1-CG 4.43Å; L196-T198 VanDerWaalsContact C-N 3.29Å; L196-N202 HydrophobicContact CD1-CB 4.43Å; L196-N202 PolarHBondContact N-O 2.9Å; L196-V205 HydrophobicContact CD2-CG2 4.12Å; L196-V205 HydrophobicContact CG-CG2 4.31Å | ||
| 197 | T | 98 | Very high | 98 | Very high | 4 Ų | 4 | 21.3 Ų | 21.3 | 3% | 0.025 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -87 | -2.2 | 176.9 | 60.8 | 0 | 0 | 0 | 0 | 113 | W14 P28 E101 W207 R241 | W14-T197 WeakPolarHBondContact CZ3-O 3.33Å; P28-T197 HydrophobicContact CB-CG2 4.45Å; E101-T197 WeakPolarHBondContact OE1-CB 3.37Å; E101-T197 PolarHBondContact OE1-OG1 3Å; E101-T197 WeakPolarHBondContact OE2-CB 3.34Å; E101-T197 WeakPolarHBondContact OE2-CG2 3.49Å; E101-T197 PolarHBondContact OE2-OG1 3.05Å; T197-W207 HydrophobicContact CG2-CH2 4.05Å; T197-W207 HydrophobicContact CG2-CZ2 3.7Å; T197-R241 WeakPolarHBondContact O-CD 3.46Å |
| 198 | T | 96.3 | Very high | 98 | Very high | 28 Ų | 28 | 19.1 Ų | 19.1 | 17% | 0.172 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -123.5 | 155.4 | 172.4 | 56.4 | 0 | 0 | 0 | 0 | 110.4 | Y3 Y5 L196 C201 | Y3-T198 HydrophobicContact CE2-CG2 4.29Å; Y3-T198 WeakPolarHBondContact OH-CB 3.36Å; Y5-T198 WeakPolarHBondContact OH-CG2 3.35Å; L196-T198 VanDerWaalsContact C-N 3.29Å; T198-C201 WeakPolarHBondContact O-CA 3.23Å; T198-C201 PolarHBondContact O-N 2.79Å |
| 199 | P | 95.8 | Very high | 98.1 | Very high | 12 Ų | 12 | 15.2 Ų | 15.2 | 8% | 0.078 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 136.6 | 172.5 | -32.6 | 39.8 | 0 | 0 | 0 | 112.7 | Y3 W14 F18 | Y3-P199 HydrophobicContact CD1-CB 3.59Å; Y3-P199 HydrophobicContact CD1-CG 3.57Å; Y3-P199 HydrophobicContact CD2-CG 3.95Å; Y3-P199 HydrophobicContact CE1-CB 3.75Å; Y3-P199 HydrophobicContact CE1-CG 3.96Å; Y3-P199 HydrophobicContact CE2-CG 4.33Å; Y3-P199 HydrophobicContact CG-CB 4.14Å; Y3-P199 HydrophobicContact CG-CG 3.57Å; W14-P199 HydrophobicContact CB-CG 4.31Å; W14-P199 HydrophobicContact CD2-CG 3.64Å; W14-P199 HydrophobicContact CE3-CG 3.84Å; W14-P199 HydrophobicContact CG-CG 3.9Å; W14-P199 HydrophobicContact CZ3-CG 4.42Å; F18-P199 HydrophobicContact CB-CB 4.31Å; F18-P199 HydrophobicContact CD1-CB 3.76Å; F18-P199 HydrophobicContact CD2-CB 3.53Å; F18-P199 HydrophobicContact CD2-CG 3.68Å; F18-P199 HydrophobicContact CE1-CB 3.83Å; F18-P199 HydrophobicContact CE2-CB 3.62Å; F18-P199 HydrophobicContact CE2-CG 3.84Å; F18-P199 HydrophobicContact CG-CB 3.6Å; F18-P199 HydrophobicContact CG-CG 4.16Å; F18-P199 HydrophobicContact CZ-CB 3.75Å; F18-P199 HydrophobicContact CZ-CG 4.43Å |
| 200 | P | 96.2 | Very high | 98.1 | Very high | 54 Ų | 54 | 15.2 Ų | 15.2 | 35% | 0.351 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -87.8 | 16.3 | 15.8 | 27.1 | -23.9 | 0 | 0 | 0 | 116.3 | F18 N20 N202 | F18-P200 HydrophobicContact CD1-CB 4.33Å; N20-P200 WeakPolarHBondContact CB-O 3.39Å; N20-P200 PolarHBondContact ND2-O 2.74Å; P200-N202 WeakPolarHBondContact CB-OD1 3.38Å; P200-N202 WeakPolarHBondContact CG-OD1 3.49Å; P200-N202 PolarHBondContact O-N 2.82Å; P200-N202 VanDerWaalsContact O-N 3.15Å; P200-N202 PolarHBondContact O-OD1 2.87Å |
| 201 | C | 97.6 | Very high | 98 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | trans | 59.1 | 27.5 | 170.3 | -60.6 | 0 | 0 | 0 | 0 | 115 | N20 A21 Q26 T198 | N20-C201 HydrophobicContact CB-CB 4.23Å; A21-C201 HydrophobicContact CB-CB 4.05Å; Q26-C201 PolarHBondContact NE2-O 3.47Å; T198-C201 WeakPolarHBondContact O-CA 3.23Å; T198-C201 PolarHBondContact O-N 2.79Å | ||
| 202 | N | 98.2 | Very high | 97.9 | Very high | 23 Ų | 23 | 20 Ų | 20 | 12% | 0.123 | 11% | 0.113 | C | C | . | . | trans | -59.6 | 135.8 | -178.9 | -68.6 | 52.4 | 0 | 0 | 0 | 111.7 | N20 I129 S195 L196 P200 C204 | N20-N202 PolarHBondContact ND2-OD1 2.83Å; I129-N202 HydrophobicContact CB-CB 4.32Å; I129-N202 PolarHBondContact O-ND2 2.94Å; S195-N202 CarbonylContact C-O 3.52Å; S195-N202 WeakPolarHBondContact CA-O 3.32Å; S195-N202 VanDerWaalsContact CB-O 3.22Å; S195-N202 WeakPolarHBondContact CB-O 3.38Å; L196-N202 HydrophobicContact CD1-CB 4.43Å; L196-N202 PolarHBondContact N-O 2.9Å; P200-N202 WeakPolarHBondContact CB-OD1 3.38Å; P200-N202 WeakPolarHBondContact CG-OD1 3.49Å; P200-N202 PolarHBondContact O-N 2.82Å; P200-N202 VanDerWaalsContact O-N 3.15Å; P200-N202 PolarHBondContact O-OD1 2.87Å; N202-C204 HydrophobicContact CB-CB 4.32Å; N202-C204 PolarHBondContact O-N 2.83Å | ||
| 203 | E | 98.3 | Very high | 97.8 | Very high | 63 Ų | 63 | 21.3 Ų | 21.3 | 29% | 0.294 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -82.7 | 59.8 | 177.9 | -58.3 | -172 | 157.3 | 0 | 0 | 111.3 | G23 T24 K25 Q26 G194 | G23-E203 WeakPolarHBondContact CA-OE1 3.43Å; T24-E203 PolarHBondContact N-OE1 2.82Å; K25-E203 WeakPolarHBondContact CA-OE1 3.39Å; K25-E203 HydrophobicContact CB-CB 4.39Å; K25-E203 HydrophobicContact CB-CG 4.2Å; K25-E203 PolarHBondContact N-OE1 3.45Å; Q26-E203 PolarHBondContact NE2-OE1 2.79Å; G194-E203 CarbonylContact O-C 3.2Å; G194-E203 WeakPolarHBondContact O-CA 3.24Å |
| 204 | C | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.007 | 11% | 0.105 | C | C | . | . | trans | -121.6 | 14.8 | -170.3 | 63 | 0 | 0 | 0 | 0 | 113.5 | Y131 S132 G134 L135 G194 N202 | Y131-C204 WeakPolarHBondContact O-CA 3.49Å; Y131-C204 WeakPolarHBondContact O-CB 3.28Å; S132-C204 CarbonylContact O-C 3.59Å; G134-C204 PolarHBondContact N-O 3.36Å; L135-C204 PolarHBondContact N-O 3.14Å; G194-C204 PolarHBondContact O-N 2.88Å; N202-C204 HydrophobicContact CB-CB 4.32Å; N202-C204 PolarHBondContact O-N 2.83Å | ||
| 205 | V | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 125.5 | -168.8 | -176 | 0 | 0 | 0 | 0 | 111.1 | L135 V137 G194 S195 L196 W207 | L135-V205 HydrophobicContact CB-CG2 4.22Å; L135-V205 HydrophobicContact CD1-CG2 4.35Å; L135-V205 WeakPolarHBondContact O-CA 3.29Å; V137-V205 HydrophobicContact CB-CG1 3.85Å; V137-V205 HydrophobicContact CG2-CG1 3.58Å; V137-V205 HydrophobicContact CG2-CG2 4.42Å; G194-V205 PolarHBondContact N-O 2.97Å; G194-V205 PolarHBondContact O-N 3.28Å; S195-V205 VanDerWaalsContact C-CG2 3.44Å; L196-V205 HydrophobicContact CD2-CG2 4.12Å; L196-V205 HydrophobicContact CG-CG2 4.31Å; V205-W207 HydrophobicContact CG1-CD2 4.04Å; V205-W207 HydrophobicContact CG1-CG 3.93Å; V205-W207 HydrophobicContact CG1-CZ2 4.34Å |
| 206 | T | 98.7 | Very high | 97.3 | Very high | 21 Ų | 21 | 19.3 Ų | 19.3 | 13% | 0.129 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 109.7 | 156.3 | -60.1 | 0 | 0 | 0 | 0 | 108.1 | P78 L79 L135 S136 V137 | P78-T206 HydrophobicContact CB-CG2 4.42Å; P78-T206 HydrophobicContact CG-CG2 4.06Å; L79-T206 HydrophobicContact CD2-CG2 3.99Å; L135-T206 PolarHBondContact O-N 3.49Å; S136-T206 VanDerWaalsContact CA-O 3.32Å; S136-T206 WeakPolarHBondContact CA-O 3.49Å; S136-T206 PolarHBondContact OG-O 2.94Å; V137-T206 PolarHBondContact N-O 2.83Å; V137-T206 VanDerWaalsContact N-O 3.14Å |
| 207 | W | 98.9 | Very high | 97.2 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.008 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 140 | 178 | -80 | 92.1 | 0 | 0 | 0 | 110.8 | S27 H102 H114 V137 T191 Y192 S195 T197 V205 V209 | S27-W207 PolarHBondContact OG-NE1 3.2Å; H102-W207 AromaticContact CE1-CD2 3.81Å; H102-W207 AromaticContact CE1-CE3 3.47Å; H102-W207 VanDerWaalsContact CE1-CE3 3.47Å; H102-W207 AromaticContact CE1-CH2 3.97Å; H102-W207 AromaticContact CE1-CZ3 3.55Å; H114-W207 AromaticContact CD2-CZ3 3.93Å; H114-W207 AromaticContact CE1-CH2 3.39Å; H114-W207 WeakPolarHBondContact CE1-CH2 3.36Å; H114-W207 AromaticContact CE1-CZ3 3.92Å; H114-W207 AromaticContact ND1-CH2 3.65Å; H114-W207 AromaticContact NE2-CH2 3.67Å; H114-W207 AromaticContact NE2-CZ3 3.7Å; V137-W207 HydrophobicContact CB-CD2 4.31Å; V137-W207 HydrophobicContact CB-CE3 3.94Å; V137-W207 HydrophobicContact CB-CH2 3.96Å; V137-W207 HydrophobicContact CB-CZ2 4.31Å; V137-W207 HydrophobicContact CB-CZ3 3.77Å; V137-W207 HydrophobicContact CG1-CE3 3.97Å; V137-W207 HydrophobicContact CG1-CH2 3.54Å; V137-W207 HydrophobicContact CG1-CZ2 4.35Å; V137-W207 HydrophobicContact CG1-CZ3 3.32Å; T191-W207 WeakPolarHBondContact CA-O 3.24Å; T191-W207 VanDerWaalsContact CB-O 3.27Å; T191-W207 WeakPolarHBondContact CB-O 2.94Å; T191-W207 PolarHBondContact OG1-O 3.28Å; Y192-W207 HydrophobicContact CD1-CB 3.64Å; Y192-W207 HydrophobicContact CD1-CG 4.33Å; Y192-W207 HydrophobicContact CE1-CB 3.32Å; Y192-W207 AromaticContact CE1-CD1 3.98Å; Y192-W207 HydrophobicContact CE1-CD2 4.43Å; Y192-W207 AromaticContact CE1-CG 3.61Å; Y192-W207 HydrophobicContact CE1-CG 3.61Å; Y192-W207 AromaticContact CE2-CD1 3.83Å; Y192-W207 HydrophobicContact CE2-CG 4.3Å; Y192-W207 HydrophobicContact CG-CB 4.35Å; Y192-W207 AromaticContact CZ-CD1 3.48Å; Y192-W207 VanDerWaalsContact CZ-CD1 3.48Å; Y192-W207 AromaticContact CZ-CG 3.57Å; Y192-W207 PolarHBondContact N-O 3.47Å; Y192-W207 PolarHBondContact O-N 2.77Å; S195-W207 PolarHBondContact O-NE1 2.81Å; T197-W207 HydrophobicContact CG2-CH2 4.05Å; T197-W207 HydrophobicContact CG2-CZ2 3.7Å; V205-W207 HydrophobicContact CG1-CD2 4.04Å; V205-W207 HydrophobicContact CG1-CG 3.93Å; V205-W207 HydrophobicContact CG1-CZ2 4.34Å; W207-V209 HydrophobicContact CE3-CG2 4.29Å |
| 208 | I | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 103.5 | 169 | -59.1 | 179.7 | 0 | 0 | 0 | 106.3 | I45 L74 P78 L79 V137 V138 G139 Y189 Y190 L210 | I45-I208 HydrophobicContact CD1-CG2 4.05Å; I45-I208 HydrophobicContact CG2-CD1 3.95Å; I45-I208 HydrophobicContact CG2-CG2 4.12Å; L74-I208 HydrophobicContact CD2-CD1 4.37Å; P78-I208 HydrophobicContact CG-CD1 3.76Å; P78-I208 HydrophobicContact CG-CG1 3.88Å; L79-I208 HydrophobicContact CD1-CD1 4.19Å; L79-I208 HydrophobicContact CD2-CD1 4.37Å; L79-I208 HydrophobicContact CG-CD1 4.23Å; V137-I208 PolarHBondContact O-N 2.63Å; V138-I208 CarbonylContact C-O 3.57Å; V138-I208 VanDerWaalsContact CA-O 3.24Å; V138-I208 WeakPolarHBondContact CA-O 3.29Å; V138-I208 HydrophobicContact CG2-CB 4.42Å; G139-I208 PolarHBondContact N-O 3.49Å; Y189-I208 HydrophobicContact CD2-CG2 3.77Å; Y189-I208 HydrophobicContact CE2-CG2 4.47Å; Y189-I208 HydrophobicContact CG-CG2 3.81Å; Y190-I208 CarbonylContact O-C 3.42Å; Y190-I208 WeakPolarHBondContact O-CA 3.4Å; I208-L210 HydrophobicContact CG2-CD2 4.35Å |
| 209 | V | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 114.3 | -179 | -174.5 | 0 | 0 | 0 | 0 | 108.2 | L31 G139 F141 Y189 Y190 W207 | L31-V209 HydrophobicContact CD1-CB 4.04Å; L31-V209 HydrophobicContact CD1-CG1 3.9Å; L31-V209 HydrophobicContact CD1-CG2 4.29Å; G139-V209 WeakPolarHBondContact O-CA 3.47Å; F141-V209 HydrophobicContact CD2-CG1 4.24Å; F141-V209 HydrophobicContact CE2-CG1 3.41Å; F141-V209 VanDerWaalsContact CE2-CG1 3.41Å; F141-V209 HydrophobicContact CZ-CG1 3.77Å; Y189-V209 CarbonylContact C-O 3.48Å; Y189-V209 VanDerWaalsContact CA-O 3.27Å; Y189-V209 WeakPolarHBondContact CA-O 3.39Å; Y189-V209 WeakPolarHBondContact CB-O 3.2Å; Y190-V209 PolarHBondContact N-O 2.65Å; Y190-V209 PolarHBondContact O-N 3.2Å; W207-V209 HydrophobicContact CE3-CG2 4.29Å |
| 210 | L | 98.4 | Very high | 97 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 140 | -178.1 | -59.8 | -175.4 | 0 | 0 | 0 | 110.7 | I45 V138 G139 I140 P183 L186 I208 | I45-L210 HydrophobicContact CD1-CD2 3.82Å; V138-L210 HydrophobicContact CG1-CD1 4.01Å; V138-L210 HydrophobicContact CG1-CD2 4.47Å; V138-L210 HydrophobicContact CG1-CG 3.99Å; G139-L210 PolarHBondContact O-N 2.76Å; I140-L210 HydrophobicContact CD1-CD1 4.04Å; I140-L210 HydrophobicContact CG1-CD1 3.88Å; I140-L210 HydrophobicContact CG1-CG 4.33Å; P183-L210 HydrophobicContact CG-CB 4.14Å; P183-L210 HydrophobicContact CG-CD1 3.39Å; P183-L210 HydrophobicContact CG-CG 4.36Å; L186-L210 HydrophobicContact CD2-CD1 3.7Å; I208-L210 HydrophobicContact CG2-CD2 4.35Å |
| 211 | D | 96.7 | Very high | 97 | Very high | 38 Ų | 38 | 23.6 Ų | 23.6 | 20% | 0.203 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -72.4 | -42.7 | -178.8 | -179.4 | 54.6 | 0 | 0 | 0 | 112 | R188 Y190 P213 F255 | R188-D211 HydrophobicContact CB-CB 3.9Å; R188-D211 IonicContact CZ-OD2 3.27Å; R188-D211 VanDerWaalsContact CZ-OD2 3.27Å; R188-D211 IonicContact NE-OD2 2.91Å; R188-D211 PolarHBondContact NE-OD2 3.11Å; R188-D211 IonicContact NH2-OD2 2.78Å; R188-D211 PolarHBondContact NH2-OD2 3.02Å; R188-D211 WeakPolarHBondContact O-CB 3.41Å; R188-D211 PolarHBondContact O-N 3.28Å; Y190-D211 HydrophobicContact CE2-CB 4.49Å; Y190-D211 PolarHBondContact OH-OD1 3.26Å; D211-P213 WeakPolarHBondContact O-CD 3.07Å; D211-F255 HydrophobicContact CB-CE1 3.81Å; D211-F255 HydrophobicContact CB-CZ 3.66Å; D211-F255 WeakPolarHBondContact OD1-CZ 3.28Å |
| 212 | E | 95.9 | Very high | 96.9 | Very high | 66 Ų | 66 | 26.9 Ų | 26.9 | 31% | 0.308 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -79.2 | 119.5 | -178.6 | -175.6 | -175 | 172.8 | 0 | 0 | 110.9 | P183 N184 D185 | P183-E212 HydrophobicContact CB-CB 3.68Å; P183-E212 HydrophobicContact CB-CG 3.75Å; P183-E212 WeakPolarHBondContact CB-O 3.4Å; P183-E212 HydrophobicContact CG-CB 4.35Å; N184-E212 PolarHBondContact N-OE2 3.26Å; D185-E212 PolarHBondContact N-OE2 3.24Å |
| 213 | P | 95.7 | Very high | 96.8 | Very high | 36 Ų | 36 | 26.3 Ų | 26.3 | 23% | 0.234 | 14% | 0.138 | C | C | . | . | P | Polyproline II helix | trans | -76.8 | 149.8 | 175.4 | 31.9 | -35.7 | 0 | 0 | 0 | 111.8 | F141 Q143 D211 | F141-P213 HydrophobicContact CB-CB 4.02Å; F141-P213 CarbonylContact O-C 3.45Å; F141-P213 VanDerWaalsContact O-CA 3.25Å; F141-P213 WeakPolarHBondContact O-CA 3.24Å; Q143-P213 HydrophobicContact CB-CB 4.2Å; Q143-P213 HydrophobicContact CB-CG 4.34Å; Q143-P213 HydrophobicContact CG-CB 4.04Å; Q143-P213 HydrophobicContact CG-CG 3.99Å; D211-P213 WeakPolarHBondContact O-CD 3.07Å |
| 214 | V | 95.7 | Very high | 96.7 | Very high | 14 Ų | 14 | 23.3 Ų | 23.3 | 9% | 0.085 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 145.4 | 171.5 | 177.4 | 0 | 0 | 0 | 0 | 110.1 | I140 F141 F142 Q143 N151 P183 | I140-V214 HydrophobicContact CG2-CB 4.33Å; I140-V214 HydrophobicContact CG2-CG2 3.67Å; F141-V214 PolarHBondContact O-N 3.44Å; F142-V214 CarbonylContact C-O 3.56Å; F142-V214 VanDerWaalsContact CA-O 3.23Å; F142-V214 WeakPolarHBondContact CA-O 3.49Å; F142-V214 HydrophobicContact CD1-CB 4.08Å; F142-V214 HydrophobicContact CD1-CG1 4.21Å; F142-V214 WeakPolarHBondContact CD1-O 3.25Å; F142-V214 HydrophobicContact CE1-CB 4.01Å; F142-V214 HydrophobicContact CE1-CG1 3.84Å; Q143-V214 PolarHBondContact N-O 3.4Å; N151-V214 WeakPolarHBondContact ND2-CG1 3.42Å; P183-V214 HydrophobicContact CB-CG2 4.39Å |
| 215 | V | 94.4 | Very high | 96.6 | Very high | 11 Ų | 11 | 24 Ų | 24 | 7% | 0.067 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 131.1 | -179.3 | 179.4 | 0 | 0 | 0 | 0 | 111.3 | Q143 S147 N149 | Q143-V215 HydrophobicContact CG-CG2 4.03Å; Q143-V215 WeakPolarHBondContact O-CA 3.3Å; S147-V215 WeakPolarHBondContact O-CG1 3.18Å; N149-V215 HydrophobicContact CB-CB 4.37Å; N149-V215 WeakPolarHBondContact ND2-CG2 3.45Å |
| 216 | M | 95.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 154 | 165.8 | 77.9 | -176.2 | -50.1 | 0 | 0 | 111.3 | A111 F142 Q143 L144 G145 L154 Q220 L221 L224 | A111-M216 HydrophobicContact CB-SD 4.05Å; F142-M216 HydrophobicContact CB-CB 4.46Å; F142-M216 HydrophobicContact CB-CG 4.09Å; F142-M216 HydrophobicContact CB-SD 3.65Å; F142-M216 HydrophobicContact CD1-CB 3.85Å; F142-M216 HydrophobicContact CD1-CG 4.4Å; F142-M216 HydrophobicContact CD1-SD 4.44Å; F142-M216 HydrophobicContact CG-CB 4.41Å; F142-M216 HydrophobicContact CG-CG 4.5Å; F142-M216 HydrophobicContact CG-SD 4.06Å; Q143-M216 PolarHBondContact O-N 3.45Å; L144-M216 WeakPolarHBondContact CA-O 3.4Å; L144-M216 HydrophobicContact CD2-CG 4Å; G145-M216 PolarHBondContact N-O 3.22Å; L154-M216 HydrophobicContact CD2-CB 3.81Å; L154-M216 HydrophobicContact CD2-CE 4.49Å; M216-Q220 HydrophobicContact CE-CB 4.07Å; M216-L221 HydrophobicContact CE-CB 3.68Å; M216-L221 HydrophobicContact CE-CD1 4.07Å; M216-L221 HydrophobicContact CE-CG 4.44Å; M216-L221 HydrophobicContact SD-CB 4.11Å; M216-L221 HydrophobicContact SD-CD1 4.16Å; M216-L224 HydrophobicContact CE-CD1 3.95Å |
| 217 | T | 95.8 | Very high | 96.1 | Very high | 24 Ų | 24 | 29.6 Ų | 29.6 | 15% | 0.147 | 15% | 0.151 | C | C | . | . | trans | -86 | 161.8 | 171.2 | 67 | 0 | 0 | 0 | 0 | 111.7 | D219 Q220 L221 | T217-D219 VanDerWaalsContact C-N 3.27Å; T217-D219 PolarHBondContact O-N 2.76Å; T217-Q220 WeakPolarHBondContact O-CB 3.39Å; T217-Q220 PolarHBondContact O-N 2.96Å; T217-Q220 WeakPolarHBondContact OG1-CG 3.25Å; T217-Q220 PolarHBondContact OG1-N 2.99Å; T217-L221 PolarHBondContact O-N 2.96Å; T217-L221 VanDerWaalsContact O-N 3.11Å | ||
| 218 | I | 95.6 | Very high | 95.7 | Very high | 69 Ų | 69 | 30.1 Ų | 30.1 | 35% | 0.354 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -59.2 | -39.3 | 171.8 | -170.7 | 59.1 | 0 | 0 | 0 | 111.7 | N96 L144 Q220 L221 E222 | N96-I218 WeakPolarHBondContact OD1-CD1 3.27Å; L144-I218 HydrophobicContact CD1-CD1 4.44Å; L144-I218 HydrophobicContact CD2-CB 4.46Å; L144-I218 HydrophobicContact CD2-CD1 4.44Å; I218-Q220 VanDerWaalsContact C-N 3.29Å; I218-Q220 PolarHBondContact O-N 2.9Å; I218-L221 HydrophobicContact CD1-CD2 4.44Å; I218-L221 PolarHBondContact O-N 2.81Å; I218-L221 VanDerWaalsContact O-N 3.13Å; I218-E222 HydrophobicContact CD1-CG 4.49Å; I218-E222 HydrophobicContact CG1-CG 4.33Å; I218-E222 WeakPolarHBondContact O-CG 3.5Å; I218-E222 PolarHBondContact O-N 2.85Å |
| 219 | D | 95 | Very high | 95 | Very high | 115 Ų | 115 | 31.7 Ų | 31.7 | 62% | 0.615 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -63.4 | -34.3 | 178.2 | -66.8 | -17.4 | 0 | 0 | 0 | 112.9 | T217 T223 | T217-D219 VanDerWaalsContact C-N 3.27Å; T217-D219 PolarHBondContact O-N 2.76Å; D219-T223 PolarHBondContact O-N 3.37Å; D219-T223 PolarHBondContact O-OG1 2.84Å |
| 220 | Q | 96.1 | Very high | 94.1 | Very high | 11 Ų | 11 | 39.6 Ų | 39.6 | 5% | 0.051 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.8 | -45.4 | 173.8 | -72.6 | 169.4 | -31.5 | 0 | 0 | 110.2 | L154 M216 T217 I218 T223 L224 | L154-Q220 HydrophobicContact CD2-CB 4.33Å; L154-Q220 HydrophobicContact CD2-CG 4.41Å; L154-Q220 HydrophobicContact CG-CG 4.34Å; M216-Q220 HydrophobicContact CE-CB 4.07Å; T217-Q220 WeakPolarHBondContact O-CB 3.39Å; T217-Q220 PolarHBondContact O-N 2.96Å; T217-Q220 WeakPolarHBondContact OG1-CG 3.25Å; T217-Q220 PolarHBondContact OG1-N 2.99Å; I218-Q220 VanDerWaalsContact C-N 3.29Å; I218-Q220 PolarHBondContact O-N 2.9Å; Q220-T223 VanDerWaalsContact O-CB 3.3Å; Q220-T223 WeakPolarHBondContact O-CB 3.24Å; Q220-T223 PolarHBondContact O-N 2.86Å; Q220-T223 VanDerWaalsContact O-N 3.14Å; Q220-L224 PolarHBondContact O-N 3.4Å |
| 221 | L | 96.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.9 | -43.5 | 177.6 | -176 | 55.7 | 0 | 0 | 0 | 111.7 | W92 P110 L144 M216 T217 I218 T223 L224 R225 | W92-L221 HydrophobicContact CB-CD1 4.09Å; P110-L221 HydrophobicContact CB-CD2 3.64Å; L144-L221 HydrophobicContact CD1-CD2 4.26Å; L144-L221 HydrophobicContact CD2-CB 4.4Å; L144-L221 HydrophobicContact CD2-CD2 3.98Å; L144-L221 HydrophobicContact CG-CD2 4.41Å; M216-L221 HydrophobicContact CE-CB 3.68Å; M216-L221 HydrophobicContact CE-CD1 4.07Å; M216-L221 HydrophobicContact CE-CG 4.44Å; M216-L221 HydrophobicContact SD-CB 4.11Å; M216-L221 HydrophobicContact SD-CD1 4.16Å; T217-L221 PolarHBondContact O-N 2.96Å; T217-L221 VanDerWaalsContact O-N 3.11Å; I218-L221 HydrophobicContact CD1-CD2 4.44Å; I218-L221 PolarHBondContact O-N 2.81Å; I218-L221 VanDerWaalsContact O-N 3.13Å; L221-T223 VanDerWaalsContact C-N 3.26Å; L221-T223 PolarHBondContact O-N 2.76Å; L221-L224 HydrophobicContact CD1-CD1 4.49Å; L221-L224 WeakPolarHBondContact O-CB 3.27Å; L221-L224 PolarHBondContact O-N 3.21Å; L221-R225 WeakPolarHBondContact O-CG 3.47Å; L221-R225 PolarHBondContact O-N 2.88Å |
| 222 | E | 95.8 | Very high | 92.3 | Very high | 70 Ų | 70 | 45.9 Ų | 45.9 | 33% | 0.327 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.8 | -36.6 | 173.9 | -72.4 | -56 | 145.5 | 0 | 0 | 111.8 | I218 L224 R225 Q226 | I218-E222 HydrophobicContact CD1-CG 4.49Å; I218-E222 HydrophobicContact CG1-CG 4.33Å; I218-E222 WeakPolarHBondContact O-CG 3.5Å; I218-E222 PolarHBondContact O-N 2.85Å; E222-L224 VanDerWaalsContact C-N 3.26Å; E222-L224 PolarHBondContact O-N 2.99Å; E222-R225 PolarHBondContact O-N 2.9Å; E222-R225 IonicContact OE1-CZ 3.76Å; E222-R225 IonicContact OE1-NH1 2.66Å; E222-R225 PolarHBondContact OE1-NH1 2.84Å; E222-Q226 WeakPolarHBondContact O-CB 3.39Å; E222-Q226 VanDerWaalsContact O-CG 3.22Å; E222-Q226 WeakPolarHBondContact O-CG 3.5Å; E222-Q226 PolarHBondContact O-N 3.08Å |
| 223 | T | 95.8 | Very high | 91.2 | Very high | 10 Ų | 10 | 48 Ų | 48 | 6% | 0.061 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.4 | -39.2 | 174.4 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | C158 L161 K162 D219 Q220 L221 | C158-T223 HydrophobicContact CB-CG2 3.88Å; L161-T223 HydrophobicContact CB-CG2 4.42Å; K162-T223 HydrophobicContact CD-CG2 4.27Å; K162-T223 VanDerWaalsContact CE-CG2 3.49Å; K162-T223 WeakPolarHBondContact CE-OG1 3.34Å; K162-T223 HydrophobicContact CG-CG2 3.82Å; K162-T223 PolarHBondContact NZ-OG1 3.37Å; D219-T223 PolarHBondContact O-N 3.37Å; D219-T223 PolarHBondContact O-OG1 2.84Å; Q220-T223 VanDerWaalsContact O-CB 3.3Å; Q220-T223 WeakPolarHBondContact O-CB 3.24Å; Q220-T223 PolarHBondContact O-N 2.86Å; Q220-T223 VanDerWaalsContact O-N 3.14Å; L221-T223 VanDerWaalsContact C-N 3.26Å; L221-T223 PolarHBondContact O-N 2.76Å |
| 224 | L | 96.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.6 | -47.1 | 175.4 | -56.8 | 179.5 | 0 | 0 | 0 | 111.3 | F64 L90 W92 L161 M216 Q220 L221 E222 Q226 M227 | F64-L224 HydrophobicContact CE1-CD2 3.86Å; L90-L224 HydrophobicContact CD2-CD1 3.78Å; W92-L224 HydrophobicContact CB-CD1 4.28Å; W92-L224 HydrophobicContact CD2-CB 3.69Å; W92-L224 HydrophobicContact CD2-CD1 4.23Å; W92-L224 HydrophobicContact CD2-CG 4.49Å; W92-L224 HydrophobicContact CE3-CB 4.03Å; W92-L224 HydrophobicContact CE3-CD1 4.01Å; W92-L224 HydrophobicContact CE3-CD2 4.47Å; W92-L224 HydrophobicContact CE3-CG 4.4Å; W92-L224 HydrophobicContact CG-CB 3.96Å; W92-L224 HydrophobicContact CG-CD1 4.36Å; W92-L224 HydrophobicContact CH2-CB 4.47Å; W92-L224 HydrophobicContact CZ2-CB 4.26Å; W92-L224 WeakPolarHBondContact CZ2-O 3.45Å; W92-L224 HydrophobicContact CZ3-CB 4.4Å; W92-L224 HydrophobicContact CZ3-CD2 4.35Å; L161-L224 HydrophobicContact CD1-CD2 3.96Å; M216-L224 HydrophobicContact CE-CD1 3.95Å; Q220-L224 PolarHBondContact O-N 3.4Å; L221-L224 HydrophobicContact CD1-CD1 4.49Å; L221-L224 WeakPolarHBondContact O-CB 3.27Å; L221-L224 PolarHBondContact O-N 3.21Å; E222-L224 VanDerWaalsContact C-N 3.26Å; E222-L224 PolarHBondContact O-N 2.99Å; L224-Q226 VanDerWaalsContact C-N 3.27Å; L224-Q226 PolarHBondContact O-N 2.74Å; L224-M227 WeakPolarHBondContact O-CB 3.48Å; L224-M227 VanDerWaalsContact O-CG 3.28Å; L224-M227 WeakPolarHBondContact O-CG 3.43Å; L224-M227 PolarHBondContact O-N 3.15Å |
| 225 | R | 95.5 | Very high | 89.1 | Confident | 16 Ų | 16 | 50 Ų | 50 | 6% | 0.06 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.8 | -38 | 178 | -64.8 | 176.6 | -177.9 | 152.9 | -4.8 | 112.3 | G93 S94 G95 N96 L221 E222 M227 H228 | G93-R225 PolarHBondContact O-NE 2.88Å; G93-R225 PolarHBondContact O-NH2 2.93Å; S94-R225 VanDerWaalsContact O-CZ 3.24Å; S94-R225 PolarHBondContact O-NE 3.07Å; S94-R225 PolarHBondContact O-NH2 2.71Å; G95-R225 PolarHBondContact O-NH2 2.84Å; N96-R225 PolarHBondContact OD1-NH1 3.39Å; N96-R225 PolarHBondContact OD1-NH2 2.85Å; L221-R225 WeakPolarHBondContact O-CG 3.47Å; L221-R225 PolarHBondContact O-N 2.88Å; E222-R225 PolarHBondContact O-N 2.9Å; E222-R225 IonicContact OE1-CZ 3.76Å; E222-R225 IonicContact OE1-NH1 2.66Å; E222-R225 PolarHBondContact OE1-NH1 2.84Å; R225-M227 PolarHBondContact O-N 2.91Å; R225-M227 VanDerWaalsContact O-N 3.11Å; R225-H228 WeakPolarHBondContact O-CB 3.43Å; R225-H228 PolarHBondContact O-N 3.4Å |
| 226 | Q | 94 | Very high | 88.1 | Confident | 122 Ų | 122 | 55.6 Ų | 55.6 | 57% | 0.57 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -64.5 | -12.6 | 177.2 | -70.4 | -59.8 | -26.3 | 0 | 0 | 114 | E222 L224 H228 A229 | E222-Q226 WeakPolarHBondContact O-CB 3.39Å; E222-Q226 VanDerWaalsContact O-CG 3.22Å; E222-Q226 WeakPolarHBondContact O-CG 3.5Å; E222-Q226 PolarHBondContact O-N 3.08Å; L224-Q226 VanDerWaalsContact C-N 3.27Å; L224-Q226 PolarHBondContact O-N 2.74Å; Q226-H228 PolarHBondContact O-N 2.9Å; Q226-A229 WeakPolarHBondContact O-CB 3.48Å; Q226-A229 PolarHBondContact O-N 3.49Å |
| 227 | M | 93.3 | Very high | 87.5 | Confident | 17 Ų | 17 | 57.3 Ų | 57.3 | 8% | 0.084 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -62.4 | -25 | 168.7 | -61.3 | -169 | 65.9 | 0 | 0 | 112.2 | V59 N63 F64 W92 L161 K166 L224 R225 A229 | V59-M227 HydrophobicContact CG1-CE 3.97Å; N63-M227 WeakPolarHBondContact O-CE 3.38Å; F64-M227 HydrophobicContact CB-CE 4.12Å; F64-M227 HydrophobicContact CD1-CE 4.22Å; F64-M227 HydrophobicContact CD1-SD 3.75Å; F64-M227 HydrophobicContact CE1-SD 4.47Å; W92-M227 HydrophobicContact CH2-SD 3.78Å; W92-M227 HydrophobicContact CZ2-CB 4.32Å; W92-M227 HydrophobicContact CZ2-SD 4.21Å; L161-M227 HydrophobicContact CD1-SD 4.26Å; L161-M227 HydrophobicContact CD2-CE 4.11Å; L161-M227 HydrophobicContact CD2-SD 4.04Å; K166-M227 WeakPolarHBondContact CE-O 3.42Å; K166-M227 PolarHBondContact NZ-O 2.84Å; L224-M227 WeakPolarHBondContact O-CB 3.48Å; L224-M227 VanDerWaalsContact O-CG 3.28Å; L224-M227 WeakPolarHBondContact O-CG 3.43Å; L224-M227 PolarHBondContact O-N 3.15Å; R225-M227 PolarHBondContact O-N 2.91Å; R225-M227 VanDerWaalsContact O-N 3.11Å; M227-A229 VanDerWaalsContact C-N 3.3Å |
| 228 | H | 89.5 | Confident | 87.4 | Confident | 12 Ų | 12 | 57.2 Ų | 57.2 | 6% | 0.056 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -86.4 | 4 | 173.1 | -66.6 | -112.4 | 0 | 0 | 0 | 113.2 | H62 W92 R225 Q226 N230 C231 C234 T237 | H62-H228 PolarHBondContact O-NE2 2.99Å; W92-H228 AromaticContact CZ2-NE2 3.91Å; W92-H228 AromaticContact NE1-CD2 3.99Å; W92-H228 AromaticContact NE1-NE2 3.87Å; R225-H228 WeakPolarHBondContact O-CB 3.43Å; R225-H228 PolarHBondContact O-N 3.4Å; Q226-H228 PolarHBondContact O-N 2.9Å; H228-N230 PolarHBondContact O-N 2.78Å; H228-C231 WeakPolarHBondContact O-CB 3.36Å; H228-C231 PolarHBondContact O-N 3Å; H228-C234 HydrophobicContact CB-CB 4.4Å; H228-C234 PolarHBondContact ND1-SG 2.98Å; H228-C234 VanDerWaalsContact ND1-SG 3.37Å; H228-T237 HydrophobicContact CB-CG2 3.7Å |
| 229 | A | 84.2 | Confident | 87.4 | Confident | 33 Ų | 33 | 54.1 Ų | 54.1 | 27% | 0.273 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 138.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q226 M227 C231 | Q226-A229 WeakPolarHBondContact O-CB 3.48Å; Q226-A229 PolarHBondContact O-N 3.49Å; M227-A229 VanDerWaalsContact C-N 3.3Å; A229-C231 PolarHBondContact O-N 3.47Å; A229-C231 VanDerWaalsContact O-N 3.15Å |
| 230 | N | 81.4 | Confident | 87.4 | Confident | 166 Ų | 166 | 50.4 Ų | 50.4 | 89% | 0.888 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 8.2 | -176.8 | -49 | -48.8 | 0 | 0 | 0 | 115.5 | H228 V232 | H228-N230 PolarHBondContact O-N 2.78Å; N230-V232 PolarHBondContact O-N 2.89Å |
| 231 | C | 81.2 | Confident | 87.4 | Confident | 27 Ų | 27 | 50.5 Ų | 50.5 | 18% | 0.182 | 29% | 0.291 | C | S | . | . | trans | -81.7 | 100.6 | 174.4 | -177 | 0 | 0 | 0 | 0 | 110.7 | H62 H228 A229 T233 C234 | H62-C231 PolarHBondContact CE1-SG 3.19Å; H228-C231 WeakPolarHBondContact O-CB 3.36Å; H228-C231 PolarHBondContact O-N 3Å; A229-C231 PolarHBondContact O-N 3.47Å; A229-C231 VanDerWaalsContact O-N 3.15Å; C231-T233 PolarHBondContact O-N 3.48Å; C231-C234 HydrophobicContact CB-CB 3.6Å; C231-C234 WeakPolarHBondContact CB-SG 3.32Å; C231-C234 PolarHBondContact O-N 3.11Å; C231-C234 VanDerWaalsContact SG-CA 3.58Å; C231-C234 WeakPolarHBondContact SG-CB 3.26Å; C231-C234 PolarHBondContact SG-N 3.16Å; C231-C234 CovalentContact SG-SG 2.03Å; C231-C234 PolarHBondContact SG-SG 3.22Å | ||
| 232 | V | 75.7 | Confident | 87.5 | Confident | 144 Ų | 144 | 54 Ų | 54 | 87% | 0.873 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -27.4 | 179.7 | -174.3 | 0 | 0 | 0 | 0 | 112.1 | N230 | N230-V232 PolarHBondContact O-N 2.89Š|
| 233 | T | 73 | Confident | 87.6 | Confident | 111 Ų | 111 | 54.3 Ų | 54.3 | 68% | 0.681 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -9.3 | -176.1 | 53 | 0 | 0 | 0 | 0 | 114.2 | C231 G235 | C231-T233 PolarHBondContact O-N 3.48Å; T233-G235 VanDerWaalsContact C-N 3.25Å; T233-G235 PolarHBondContact O-N 2.97Å |
| 234 | C | 71.4 | Confident | 87.7 | Confident | 18 Ų | 18 | 54.8 Ų | 54.8 | 12% | 0.122 | 32% | 0.321 | C | S | . | . | trans | -74.8 | -16.6 | -171.1 | -73.1 | 0 | 0 | 0 | 0 | 112.8 | H62 H228 C231 Q236 | H62-C234 PolarHBondContact CE1-SG 2.97Å; H62-C234 PolarHBondContact ND1-SG 3.06Å; H62-C234 VanDerWaalsContact ND1-SG 3.44Å; H228-C234 HydrophobicContact CB-CB 4.4Å; H228-C234 PolarHBondContact ND1-SG 2.98Å; H228-C234 VanDerWaalsContact ND1-SG 3.37Å; C231-C234 HydrophobicContact CB-CB 3.6Å; C231-C234 WeakPolarHBondContact CB-SG 3.32Å; C231-C234 PolarHBondContact O-N 3.11Å; C231-C234 VanDerWaalsContact SG-CA 3.58Å; C231-C234 WeakPolarHBondContact SG-CB 3.26Å; C231-C234 PolarHBondContact SG-N 3.16Å; C231-C234 CovalentContact SG-SG 2.03Å; C231-C234 PolarHBondContact SG-SG 3.22Å; C234-Q236 CarbonylContact O-C 3.46Å; C234-Q236 PolarHBondContact O-N 2.86Å | ||
| 235 | G | 74.3 | Confident | 87.7 | Confident | 74 Ų | 74 | 60 Ų | 60 | 76% | 0.763 | 35% | 0.354 | S | S | * | . | S | Bend | trans | 57 | -113.2 | -175 | 0 | 0 | 0 | 0 | 0 | 110.3 | T233 | T233-G235 VanDerWaalsContact C-N 3.25Å; T233-G235 PolarHBondContact O-N 2.97Å |
| 236 | Q | 74.5 | Confident | 87.7 | Confident | 128 Ų | 128 | 62.3 Ų | 62.3 | 60% | 0.598 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -76.9 | 142.2 | 170.6 | -64.9 | 180 | -15.4 | 0 | 0 | 109.9 | C234 D238 | C234-Q236 CarbonylContact O-C 3.46Å; C234-Q236 PolarHBondContact O-N 2.86Å; Q236-D238 HydrophobicContact CB-CB 4.49Å; Q236-D238 PolarHBondContact O-N 3.05Å; Q236-D238 PolarHBondContact OE1-OD2 3.06Å |
| 237 | T | 83.5 | Confident | 87.7 | Confident | 36 Ų | 36 | 59 Ų | 59 | 22% | 0.221 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -72.3 | 37.9 | -178.3 | 64.1 | 0 | 0 | 0 | 0 | 113.2 | W92 S94 H228 | W92-T237 VanDerWaalsContact CD1-O 3.32Å; W92-T237 PolarHBondContact NE1-O 2.68Å; W92-T237 VanDerWaalsContact NE1-O 3.11Å; S94-T237 WeakPolarHBondContact CA-OG1 3.13Å; H228-T237 HydrophobicContact CB-CG2 3.7Å |
| 238 | D | 93.1 | Very high | 87.8 | Confident | 23 Ų | 23 | 64.1 Ų | 64.1 | 12% | 0.123 | 40% | 0.403 | C | S | . | . | trans | -94.2 | 137.5 | -171.9 | -65 | -3.6 | 0 | 0 | 0 | 109.4 | Y5 G93 S94 Q236 F240 | Y5-D238 WeakPolarHBondContact CB-O 3.02Å; G93-D238 WeakPolarHBondContact CA-OD1 3.4Å; S94-D238 WeakPolarHBondContact CA-OD1 3.26Å; S94-D238 WeakPolarHBondContact CB-OD1 3.41Å; S94-D238 PolarHBondContact N-OD1 3.33Å; S94-D238 PolarHBondContact OG-OD1 2.6Å; Q236-D238 HydrophobicContact CB-CB 4.49Å; Q236-D238 PolarHBondContact O-N 3.05Å; Q236-D238 PolarHBondContact OE1-OD2 3.06Å; D238-F240 HydrophobicContact CB-CD1 3.98Å; D238-F240 HydrophobicContact CB-CE1 3.62Å; D238-F240 HydrophobicContact CB-CZ 4.46Å | ||
| 239 | N | 95 | Very high | 88.1 | Confident | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.016 | 41% | 0.405 | C | S | . | . | trans | -134.3 | 32.8 | 174.8 | 71.4 | -6.1 | 0 | 0 | 0 | 112.9 | Y5 H91 W92 | Y5-N239 HydrophobicContact CD2-CB 3.94Å; Y5-N239 VanDerWaalsContact CE1-O 3.29Å; Y5-N239 WeakPolarHBondContact CE1-O 3.13Å; Y5-N239 HydrophobicContact CE2-CB 3.88Å; Y5-N239 HydrophobicContact CG-CB 4.46Å; Y5-N239 PolarHBondContact OH-O 3.1Å; H91-N239 VanDerWaalsContact CA-OD1 3.26Å; H91-N239 WeakPolarHBondContact CA-OD1 3.47Å; H91-N239 PolarHBondContact ND1-O 3.18Å; W92-N239 VanDerWaalsContact CE3-ND2 3.34Å; W92-N239 WeakPolarHBondContact CH2-ND2 3.5Å; W92-N239 WeakPolarHBondContact CZ2-ND2 3.38Å; W92-N239 WeakPolarHBondContact CZ3-ND2 3.25Å; W92-N239 PolarHBondContact N-OD1 3.41Å; W92-N239 PolarHBondContact O-N 2.95Å; W92-N239 PolarHBondContact O-OD1 3.34Å | ||
| 240 | F | 95.6 | Very high | 88.6 | Confident | 37 Ų | 37 | 66 Ų | 66 | 16% | 0.162 | 41% | 0.412 | C | S | . | . | trans | -113.1 | 143.6 | -179.9 | 65.5 | -91.1 | 0 | 0 | 0 | 111.3 | Y5 H91 W92 W98 G99 E101 D238 | Y5-F240 WeakPolarHBondContact CD1-O 2.95Å; Y5-F240 VanDerWaalsContact CE1-C 3.41Å; Y5-F240 WeakPolarHBondContact CE1-O 3.08Å; H91-F240 HydrophobicContact CB-CB 4.18Å; W92-F240 WeakPolarHBondContact O-CD1 3.17Å; W98-F240 AromaticContact CD1-CZ 3.93Å; G99-F240 WeakPolarHBondContact O-CB 2.91Å; E101-F240 HydrophobicContact CG-CB 3.56Å; D238-F240 HydrophobicContact CB-CD1 3.98Å; D238-F240 HydrophobicContact CB-CE1 3.62Å; D238-F240 HydrophobicContact CB-CZ 4.46Å | ||
| 241 | R | 97.1 | Very high | 89.4 | Confident | 13 Ų | 13 | 58.2 Ų | 58.2 | 5% | 0.049 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -80.7 | 136.7 | 173.9 | -166.5 | -167.2 | -168.9 | 177.7 | 1.3 | 109.6 | P11 W14 A21 S27 P28 E101 T197 | P11-R241 HydrophobicContact CB-CG 4.08Å; P11-R241 HydrophobicContact CG-CG 4.3Å; W14-R241 HydrophobicContact CH2-CB 4.3Å; W14-R241 HydrophobicContact CH2-CG 4.22Å; W14-R241 HydrophobicContact CZ3-CB 4.22Å; W14-R241 HydrophobicContact CZ3-CG 3.73Å; A21-R241 PolarHBondContact O-NH2 2.77Å; A21-R241 VanDerWaalsContact O-NH2 3.15Å; S27-R241 WeakPolarHBondContact O-CD 3.43Å; S27-R241 PolarHBondContact O-NH1 3.41Å; P28-R241 WeakPolarHBondContact CG-O 3.43Å; E101-R241 VanDerWaalsContact OE1-CB 3.25Å; E101-R241 WeakPolarHBondContact OE1-CB 3.44Å; E101-R241 PolarHBondContact OE1-N 2.98Å; T197-R241 WeakPolarHBondContact O-CD 3.46Å |
| 242 | P | 96.8 | Very high | 90.2 | Very high | 73 Ų | 73 | 60.4 Ų | 60.4 | 47% | 0.474 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 156.2 | 170.5 | -24.7 | 34.1 | 0 | 0 | 0 | 113 | C244 | P242-C244 PolarHBondContact O-N 3.3Š|
| 243 | I | 98 | Very high | 91.3 | Very high | 77 Ų | 77 | 53.7 Ų | 53.7 | 40% | 0.395 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 135.9 | 175 | 58.5 | 171.5 | 0 | 0 | 0 | 111.8 | N30 M103 | N30-I243 HydrophobicContact CB-CD1 4.1Å; N30-I243 HydrophobicContact CB-CG2 4.48Å; M103-I243 HydrophobicContact CE-CG2 4.26Å; M103-I243 HydrophobicContact CG-CG2 4.09Å; M103-I243 HydrophobicContact SD-CD1 4.48Å; M103-I243 HydrophobicContact SD-CG2 3.93Å |
| 244 | C | 98 | Very high | 92.4 | Very high | 21 Ų | 21 | 49.6 Ų | 49.6 | 14% | 0.142 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -97 | 158.8 | 174.7 | -64.8 | 0 | 0 | 0 | 0 | 110.7 | Q26 P28 P242 I246 | Q26-C244 HydrophobicContact CB-CB 3.76Å; P28-C244 WeakPolarHBondContact O-CB 3.39Å; P28-C244 PolarHBondContact O-N 2.66Å; P242-C244 PolarHBondContact O-N 3.3Å; C244-I246 PolarHBondContact O-N 3.33Å |
| 245 | P | 97.1 | Very high | 93.6 | Very high | 109 Ų | 109 | 49.5 Ų | 49.5 | 71% | 0.708 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 135.4 | 175.3 | -24.4 | 34.7 | 0 | 0 | 0 | 112.5 | G247 R249 | P245-G247 PolarHBondContact O-N 2.81Å; P245-R249 PolarHBondContact O-NH2 3.35Å |
| 246 | I | 96.1 | Very high | 94.3 | Very high | 64 Ų | 64 | 55.4 Ų | 55.4 | 33% | 0.328 | 31% | 0.307 | S | S | . | . | trans | -63.9 | -28.2 | 176.2 | -166.6 | 167.1 | 0 | 0 | 0 | 112.4 | I29 C244 R249 V251 | I29-I246 HydrophobicContact CD1-CD1 4.48Å; I29-I246 HydrophobicContact CD1-CG1 4.39Å; C244-I246 PolarHBondContact O-N 3.33Å; I246-R249 HydrophobicContact CG1-CB 4.39Å; I246-R249 WeakPolarHBondContact O-CB 3.47Å; I246-R249 PolarHBondContact O-N 3.08Å; I246-R249 PolarHBondContact O-NE 2.92Å; I246-V251 HydrophobicContact CD1-CG2 4.22Å | ||
| 247 | G | 94 | Very high | 94.4 | Very high | 53 Ų | 53 | 54.7 Ų | 54.7 | 55% | 0.546 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | -138.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | P245 R249 | P245-G247 PolarHBondContact O-N 2.81Å; G247-R249 VanDerWaalsContact C-N 3.29Å |
| 248 | S | 94.8 | Very high | 95 | Very high | 124 Ų | 124 | 55.6 Ų | 55.6 | 87% | 0.867 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 8.1 | 178.1 | 67 | 0 | 0 | 0 | 0 | 114 | ||
| 249 | R | 96.3 | Very high | 95.1 | Very high | 27 Ų | 27 | 57.3 Ų | 57.3 | 10% | 0.102 | 33% | 0.325 | C | S | . | . | trans | -79.8 | 147.2 | -176.3 | -62.9 | 173.7 | -74.6 | 176.2 | -2.8 | 110.8 | K25 Q26 S193 P245 I246 G247 | K25-R249 VanDerWaalsContact CA-CZ 3.49Å; K25-R249 HydrophobicContact CG-CG 4.31Å; K25-R249 PolarHBondContact O-NH1 3.48Å; K25-R249 VanDerWaalsContact O-NH1 3.1Å; Q26-R249 PolarHBondContact O-NH1 2.96Å; Q26-R249 PolarHBondContact O-NH2 3.21Å; S193-R249 WeakPolarHBondContact O-CD 3.36Å; S193-R249 PolarHBondContact O-NH1 3.3Å; P245-R249 PolarHBondContact O-NH2 3.35Å; I246-R249 HydrophobicContact CG1-CB 4.39Å; I246-R249 WeakPolarHBondContact O-CB 3.47Å; I246-R249 PolarHBondContact O-N 3.08Å; I246-R249 PolarHBondContact O-NE 2.92Å; G247-R249 VanDerWaalsContact C-N 3.29Å | ||
| 250 | S | 94.6 | Very high | 95.1 | Very high | 58 Ų | 58 | 60.3 Ų | 60.3 | 41% | 0.406 | 34% | 0.342 | S | S | . | . | trans | -108.6 | 138.6 | 166.4 | 58.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 251 | V | 97.8 | Very high | 95 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.012 | 35% | 0.353 | C | S | . | . | trans | -89.2 | 133.2 | 169.8 | -179.5 | 0 | 0 | 0 | 0 | 108.9 | I29 L31 M36 R37 I246 | I29-V251 HydrophobicContact CD1-CG2 3.67Å; L31-V251 HydrophobicContact CD2-CG1 4.06Å; L31-V251 HydrophobicContact CD2-CG2 4.14Å; M36-V251 WeakPolarHBondContact CA-O 3.47Å; M36-V251 HydrophobicContact CE-CG1 4.04Å; M36-V251 HydrophobicContact CG-CB 4.06Å; M36-V251 HydrophobicContact CG-CG1 4Å; M36-V251 HydrophobicContact SD-CG1 4.25Å; R37-V251 PolarHBondContact N-O 3.3Å; I246-V251 HydrophobicContact CD1-CG2 4.22Å | ||
| 252 | R | 97.9 | Very high | 94.9 | Very high | 73 Ų | 73 | 64.8 Ų | 64.8 | 28% | 0.275 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 147.3 | 172.6 | -57.2 | -178.6 | -65.4 | 151.8 | -1.1 | 109.9 | R37 D39 L42 Y190 T191 | R37-R252 CarbonylContact O-C 3.57Å; R37-R252 VanDerWaalsContact O-CA 3.26Å; R37-R252 WeakPolarHBondContact O-CA 3.31Å; D39-R252 HydrophobicContact CB-CB 4.14Å; D39-R252 HydrophobicContact CB-CG 4.43Å; D39-R252 VanDerWaalsContact OD2-CD 3.25Å; D39-R252 WeakPolarHBondContact OD2-CD 3.34Å; D39-R252 IonicContact OD2-CZ 3.8Å; D39-R252 IonicContact OD2-NE 3.64Å; D39-R252 IonicContact OD2-NH1 3.64Å; D39-R252 PolarHBondContact OD2-NH1 3.46Å; L42-R252 HydrophobicContact CD1-CB 4.09Å; Y190-R252 CarbonylContact C-O 3.52Å; Y190-R252 WeakPolarHBondContact CA-O 3.33Å; T191-R252 HydrophobicContact CG2-CB 3.94Å; T191-R252 PolarHBondContact N-O 2.91Å; T191-R252 PolarHBondContact O-N 2.78Å |
| 253 | C | 97.8 | Very high | 94.8 | Very high | 4 Ų | 4 | 64.2 Ų | 64.2 | 3% | 0.027 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 143.5 | 174.1 | 60.9 | 0 | 0 | 0 | 0 | 110.6 | M36 R37 D39 Y190 F255 V257 | M36-C253 HydrophobicContact SD-CB 4.26Å; R37-C253 PolarHBondContact O-N 2.57Å; D39-C253 PolarHBondContact N-O 2.97Å; Y190-C253 HydrophobicContact CD1-CB 3.82Å; Y190-C253 HydrophobicContact CE1-CB 4.16Å; C253-F255 VanDerWaalsContact C-N 3.28Å; C253-F255 PolarHBondContact SG-O 3.35Å; C253-V257 HydrophobicContact CB-CG2 4.21Å |
| 254 | S | 97.6 | Very high | 94.6 | Very high | 25 Ų | 25 | 63.3 Ų | 63.3 | 18% | 0.175 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -85.4 | 0.6 | 179.6 | 61.8 | 0 | 0 | 0 | 0 | 113.7 | S187 R188 Y189 | S187-S254 WeakPolarHBondContact O-CB 3.06Å; S187-S254 PolarHBondContact O-OG 3.05Å; R188-S254 WeakPolarHBondContact CA-OG 3.31Å; Y189-S254 PolarHBondContact N-OG 3.12Å; Y189-S254 PolarHBondContact O-N 2.9Å; Y189-S254 VanDerWaalsContact O-N 3.1Å; Y189-S254 PolarHBondContact O-OG 3.18Å |
| 255 | F | 95.5 | Very high | 94.3 | Very high | 15 Ų | 15 | 66.5 Ų | 66.5 | 7% | 0.066 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -144 | 158.5 | -175.7 | 62.4 | -83.8 | 0 | 0 | 0 | 110.8 | L38 R188 Y190 D211 C253 V257 | L38-F255 WeakPolarHBondContact CD1-O 3.21Å; R188-F255 HydrophobicContact CB-CD1 3.67Å; R188-F255 HydrophobicContact CB-CE1 3.92Å; R188-F255 HydrophobicContact CB-CG 4.2Å; R188-F255 HydrophobicContact CG-CB 4.13Å; R188-F255 HydrophobicContact CG-CD1 4.04Å; R188-F255 HydrophobicContact CG-CG 4.08Å; R188-F255 VanDerWaalsContact NH1-CD2 3.3Å; Y190-F255 HydrophobicContact CD1-CE1 4.35Å; Y190-F255 HydrophobicContact CD1-CZ 4.4Å; Y190-F255 AromaticContact CE1-CE1 3.9Å; Y190-F255 HydrophobicContact CE1-CE1 3.9Å; Y190-F255 HydrophobicContact CE1-CE2 4.42Å; Y190-F255 AromaticContact CE1-CZ 3.52Å; Y190-F255 HydrophobicContact CE1-CZ 3.52Å; Y190-F255 HydrophobicContact CE2-CZ 4.41Å; Y190-F255 AromaticContact CZ-CZ 3.57Å; D211-F255 HydrophobicContact CB-CE1 3.81Å; D211-F255 HydrophobicContact CB-CZ 3.66Å; D211-F255 WeakPolarHBondContact OD1-CZ 3.28Å; C253-F255 VanDerWaalsContact C-N 3.28Å; C253-F255 PolarHBondContact SG-O 3.35Å; F255-V257 HydrophobicContact CD2-CG2 4.12Å; F255-V257 HydrophobicContact CE2-CB 4.36Å; F255-V257 HydrophobicContact CE2-CG1 4.46Å; F255-V257 HydrophobicContact CE2-CG2 3.71Å; F255-V257 HydrophobicContact CZ-CG2 4.22Å; F255-V257 PolarHBondContact O-N 2.57Å |
| 256 | R | 88.5 | Confident | 94.1 | Very high | 199 Ų | 199 | 63 Ų | 63 | 75% | 0.751 | 35% | 0.353 | S | S | * | . | trans | -72.4 | 115.3 | 172.2 | -71 | -179.7 | -177.2 | -164.5 | 1.1 | 108.7 | L38 E40 | L38-R256 HydrophobicContact CD1-CG 4.35Å; L38-R256 HydrophobicContact CD2-CG 3.78Å; E40-R256 IonicContact OE1-NH2 3.98Å | ||
| 257 | V | 78 | Confident | 93.9 | Very high | 112 Ų | 112 | 62.9 Ų | 62.9 | 68% | 0.679 | 36% | 0.355 | S | S | * | . | trans | -82.7 | 0 | 175.6 | -163.6 | 0 | 0 | 0 | 0 | 110.7 | T33 Y190 C253 F255 | T33-V257 HydrophobicContact CG2-CG1 3.57Å; Y190-V257 HydrophobicContact CE1-CG2 4.16Å; C253-V257 HydrophobicContact CB-CG2 4.21Å; F255-V257 HydrophobicContact CD2-CG2 4.12Å; F255-V257 HydrophobicContact CE2-CB 4.36Å; F255-V257 HydrophobicContact CE2-CG1 4.46Å; F255-V257 HydrophobicContact CE2-CG2 3.71Å; F255-V257 HydrophobicContact CZ-CG2 4.22Å; F255-V257 PolarHBondContact O-N 2.57Å |
Retrieved 257 of 257 residues in 577.8 ms
(Link to these results)