| 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 | 59.4 | Low | 88.1 | Confident | 211 Ų | 211 | 71.5 Ų | 71.5 | 100% | 1.039 | 34% | 0.341 | S | S | * | . | 0 | 129.7 | 0 | -166.8 | 170 | 96 | 0 | 0 | 107.5 | |||||
| 2 | M | 79.5 | Confident | 88.7 | Confident | 81 Ų | 81 | 65.9 Ų | 65.9 | 40% | 0.399 | 31% | 0.314 | S | S | . | . | trans | -68 | 136 | 174.7 | -174.9 | 174.3 | -79.3 | 0 | 0 | 108.6 | V92 Y208 | M2-V92 HydrophobicContact CG-CG1 4.2Å; M2-V92 HydrophobicContact CG-CG2 4.32Å; M2-V92 HydrophobicContact SD-CG2 4.06Å; M2-Y208 HydrophobicContact SD-CD1 3.42Å; M2-Y208 WeakPolarHBondContact SD-CD1 3.17Å; M2-Y208 HydrophobicContact SD-CE1 4.32Å; M2-Y208 HydrophobicContact SD-CG 3.97Å | ||
| 3 | I | 89.2 | Confident | 89 | Confident | 33 Ų | 33 | 73.2 Ų | 73.2 | 17% | 0.169 | 34% | 0.343 | C | S | . | . | trans | -131.3 | 135.7 | 175.1 | -168.4 | 177.9 | 0 | 0 | 0 | 106.5 | R5 D24 V27 | I3-R5 HydrophobicContact CG2-CG 3.87Å; I3-R5 PolarHBondContact O-N 2.98Å; I3-D24 HydrophobicContact CD1-CB 4Å; I3-D24 WeakPolarHBondContact CD1-O 3.21Å; I3-V27 HydrophobicContact CD1-CB 3.96Å; I3-V27 HydrophobicContact CD1-CG1 4.45Å; I3-V27 HydrophobicContact CD1-CG2 3.64Å; I3-V27 HydrophobicContact CG1-CB 3.77Å; I3-V27 HydrophobicContact CG1-CG1 3.7Å; I3-V27 HydrophobicContact CG1-CG2 3.69Å | ||
| 4 | N | 91.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 36% | 0.362 | C | S | . | . | trans | -54.6 | 129.8 | 171.3 | -76.4 | -30.1 | 0 | 0 | 0 | 108.7 | C7 R8 V27 V92 G93 Y208 | N4-C7 VanDerWaalsContact CB-SG 3.55Å; N4-R8 HydrophobicContact CB-CG 4.18Å; N4-R8 PolarHBondContact O-NE 2.98Å; N4-R8 PolarHBondContact O-NH2 2.96Å; N4-V27 HydrophobicContact CB-CG1 4.34Å; N4-V92 HydrophobicContact CB-CG1 4.35Å; N4-V92 WeakPolarHBondContact OD1-CG1 3.4Å; N4-G93 PolarHBondContact ND2-O 3.13Å; N4-Y208 WeakPolarHBondContact OD1-CE1 3.4Å; N4-Y208 PolarHBondContact OD1-OH 3.08Å | ||
| 5 | R | 92.5 | Very high | 89.4 | Confident | 174 Ų | 174 | 71 Ų | 71 | 66% | 0.657 | 35% | 0.346 | S | S | * | . | trans | -132.3 | -48.6 | 175.7 | -67.1 | 178.1 | 173.5 | 171 | -2.9 | 110.2 | I3 C7 R8 D210 | I3-R5 HydrophobicContact CG2-CG 3.87Å; I3-R5 PolarHBondContact O-N 2.98Å; R5-C7 PolarHBondContact O-N 3.27Å; R5-R8 PolarHBondContact O-N 2.76Å; R5-D210 WeakPolarHBondContact CA-OD2 3.41Å; R5-D210 WeakPolarHBondContact CB-OD2 3.35Å; R5-D210 VanDerWaalsContact N-CG 3.28Å; R5-D210 PolarHBondContact N-OD1 3.17Å; R5-D210 VanDerWaalsContact N-OD1 3.07Å; R5-D210 PolarHBondContact N-OD2 3.45Å | ||
| 6 | K | 91.3 | Very high | 89.7 | Confident | 99 Ų | 99 | 76.9 Ų | 76.9 | 43% | 0.43 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -27.4 | -178 | -62.2 | -66.1 | -175.3 | 162.6 | 0 | 112.8 | D210 P212 A262 | K6-D210 WeakPolarHBondContact CB-O 3.38Å; K6-D210 WeakPolarHBondContact CG-O 3.3Å; K6-D210 WeakPolarHBondContact CG-OD2 3.16Å; K6-D210 PolarHBondContact N-OD1 2.86Å; K6-D210 PolarHBondContact N-OD2 2.9Å; K6-P212 HydrophobicContact CB-CG 4.24Å; K6-A262 VanDerWaalsContact CE-O 3.24Å; K6-A262 WeakPolarHBondContact CE-O 3.4Å |
| 7 | C | 91.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | 4 | -178.3 | 74.4 | 0 | 0 | 0 | 0 | 115.1 | N4 R5 R19 T95 D211 N214 | N4-C7 VanDerWaalsContact CB-SG 3.55Å; R5-C7 PolarHBondContact O-N 3.27Å; C7-R19 WeakPolarHBondContact O-CD 3.47Å; C7-R19 PolarHBondContact O-NE 3.4Å; C7-R19 PolarHBondContact O-NH1 2.87Å; C7-T95 VanDerWaalsContact O-O 3.07Å; C7-D211 VanDerWaalsContact CB-O 3.29Å; C7-D211 WeakPolarHBondContact CB-O 3.33Å; C7-N214 HydrophobicContact CB-CB 4.03Å |
| 8 | R | 94 | Very high | 90.5 | Very high | 13 Ų | 13 | 76.8 Ų | 76.8 | 5% | 0.049 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -109 | 159.5 | -178.4 | -72.5 | -171.8 | -60.7 | 134 | -0.5 | 112.2 | N4 R5 S10 V22 P23 D24 V27 R94 | N4-R8 HydrophobicContact CB-CG 4.18Å; N4-R8 PolarHBondContact O-NE 2.98Å; N4-R8 PolarHBondContact O-NH2 2.96Å; R5-R8 PolarHBondContact O-N 2.76Å; R8-S10 PolarHBondContact O-N 3.02Å; R8-V22 HydrophobicContact CG-CB 4.43Å; R8-V22 PolarHBondContact NH1-O 3.36Å; R8-P23 PolarHBondContact NH1-O 2.97Å; R8-D24 IonicContact CZ-OD1 3.56Å; R8-D24 VanDerWaalsContact CZ-OD1 3.27Å; R8-D24 IonicContact NH1-OD1 3.62Å; R8-D24 PolarHBondContact NH1-OD1 3.41Å; R8-D24 IonicContact NH2-OD1 3.53Å; R8-D24 PolarHBondContact NH2-OD1 3.29Å; R8-V27 VanDerWaalsContact NE-CG2 3.35Å; R8-R94 WeakPolarHBondContact CD-O 3.36Å |
| 9 | N | 93 | Very high | 90.9 | Very high | 82 Ų | 82 | 72.8 Ų | 72.8 | 44% | 0.439 | 35% | 0.353 | S | S | . | . | S | Bend | trans | 56 | 29.9 | 165.5 | -54.2 | -31.1 | 0 | 0 | 0 | 114.1 | P21 V22 | N9-P21 WeakPolarHBondContact OD1-CA 3.37Å; N9-V22 PolarHBondContact ND2-O 2.8Å; N9-V22 PolarHBondContact OD1-N 3.19Å; N9-V22 PolarHBondContact OD1-O 2.91Å |
| 10 | S | 92.3 | Very high | 91.3 | Very high | 41 Ų | 41 | 71.5 Ų | 71.5 | 29% | 0.287 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -140.8 | 167 | -174.7 | 74.1 | 0 | 0 | 0 | 0 | 111.3 | R8 R19 | R8-S10 PolarHBondContact O-N 3.02Å; S10-R19 WeakPolarHBondContact O-CB 3.43Å; S10-R19 WeakPolarHBondContact O-CD 3.4Å; S10-R19 VanDerWaalsContact O-CG 3.25Å; S10-R19 WeakPolarHBondContact O-CG 3.33Å; S10-R19 PolarHBondContact O-N 2.87Å |
| 11 | L | 94.8 | Very high | 91.6 | Very high | 53 Ų | 53 | 72 Ų | 72 | 28% | 0.277 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | -66.5 | 136.3 | 167.8 | -173.4 | 70.7 | 0 | 0 | 0 | 110.6 | K13 T15 Q16 I17 | L11-K13 HydrophobicContact CD2-CG 4.3Å; L11-K13 PolarHBondContact O-N 2.88Å; L11-T15 VanDerWaalsContact CD2-O 3.32Å; L11-T15 WeakPolarHBondContact CD2-O 3.4Å; L11-T15 WeakPolarHBondContact CG-O 3.43Å; L11-Q16 VanDerWaalsContact CD1-C 3.42Å; L11-I17 WeakPolarHBondContact CD1-O 3.49Å |
| 12 | Y | 95.9 | Very high | 93.4 | Very high | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.016 | 30% | 0.304 | C | S | . | . | trans | -78.6 | 82.6 | 173.7 | -168.7 | -116 | 0 | 0 | 0 | 111.1 | T15 I17 Y41 L97 G101 R102 P212 R213 | Y12-T15 HydrophobicContact CD1-CG2 4.08Å; Y12-T15 WeakPolarHBondContact O-CA 3.32Å; Y12-T15 VanDerWaalsContact O-CB 3.24Å; Y12-T15 WeakPolarHBondContact O-CB 2.98Å; Y12-T15 WeakPolarHBondContact O-CG2 3.32Å; Y12-T15 PolarHBondContact O-N 3.44Å; Y12-T15 PolarHBondContact O-OG1 3.49Å; Y12-I17 PolarHBondContact N-O 3.16Å; Y12-Y41 AromaticContact CD1-CD1 3.69Å; Y12-Y41 HydrophobicContact CD1-CD1 3.69Å; Y12-Y41 AromaticContact CD1-CE1 3.86Å; Y12-Y41 HydrophobicContact CD1-CE1 3.86Å; Y12-Y41 AromaticContact CE1-CD1 3.69Å; Y12-Y41 HydrophobicContact CE1-CD1 3.69Å; Y12-Y41 AromaticContact CE1-CE1 3.78Å; Y12-Y41 HydrophobicContact CE1-CE1 3.78Å; Y12-L97 HydrophobicContact CD1-CD2 3.79Å; Y12-L97 HydrophobicContact CD2-CD2 3.66Å; Y12-L97 HydrophobicContact CE1-CD2 4.06Å; Y12-L97 HydrophobicContact CE2-CD2 3.91Å; Y12-L97 HydrophobicContact CG-CD2 3.57Å; Y12-G101 WeakPolarHBondContact OH-CA 3.1Å; Y12-R102 HydrophobicContact CE1-CG 4.04Å; Y12-R102 PolarHBondContact OH-N 3.05Å; Y12-P212 WeakPolarHBondContact CE2-O 3.24Å; Y12-R213 WeakPolarHBondContact CE2-O 3.06Å; Y12-R213 PolarHBondContact OH-O 3.43Å | ||
| 13 | K | 92.1 | Very high | 94.2 | Very high | 160 Ų | 160 | 60.2 Ų | 60.2 | 70% | 0.696 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 147.4 | -172.8 | -68.2 | -175.9 | -179.3 | -180 | 0 | 113.5 | L11 T15 | L11-K13 HydrophobicContact CD2-CG 4.3Å; L11-K13 PolarHBondContact O-N 2.88Å; K13-T15 VanDerWaalsContact C-N 3.3Å |
| 14 | P | 89.9 | Confident | 94.5 | Very high | 94 Ų | 94 | 63 Ų | 63 | 61% | 0.61 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -86 | 14.1 | -1.2 | 36.9 | -38.6 | 0 | 0 | 0 | 113.7 | ||
| 15 | T | 93.7 | Very high | 94.7 | Very high | 20 Ų | 20 | 69.1 Ų | 69.1 | 12% | 0.123 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -74 | 171.1 | -179.7 | 85.4 | 0 | 0 | 0 | 0 | 111.5 | L11 Y12 K13 I17 Y41 | L11-T15 VanDerWaalsContact CD2-O 3.32Å; L11-T15 WeakPolarHBondContact CD2-O 3.4Å; L11-T15 WeakPolarHBondContact CG-O 3.43Å; Y12-T15 HydrophobicContact CD1-CG2 4.08Å; Y12-T15 WeakPolarHBondContact O-CA 3.32Å; Y12-T15 VanDerWaalsContact O-CB 3.24Å; Y12-T15 WeakPolarHBondContact O-CB 2.98Å; Y12-T15 WeakPolarHBondContact O-CG2 3.32Å; Y12-T15 PolarHBondContact O-N 3.44Å; Y12-T15 PolarHBondContact O-OG1 3.49Å; K13-T15 VanDerWaalsContact C-N 3.3Å; T15-I17 VanDerWaalsContact C-N 3.33Å; T15-I17 WeakPolarHBondContact OG1-CB 3.43Å; T15-I17 PolarHBondContact OG1-N 2.85Å; T15-Y41 HydrophobicContact CG2-CE1 3.62Å; T15-Y41 WeakPolarHBondContact CG2-OH 3.46Å |
| 16 | Q | 94.9 | Very high | 94.9 | Very high | 166 Ų | 166 | 63.6 Ų | 63.6 | 78% | 0.776 | 32% | 0.324 | S | S | * | . | trans | -95.3 | 16.7 | 171.2 | -60.8 | -55.9 | -54.4 | 0 | 0 | 112.8 | L11 Q18 | L11-Q16 VanDerWaalsContact CD1-C 3.42Å; Q16-Q18 PolarHBondContact O-N 3.23Å | ||
| 17 | I | 96.9 | Very high | 95.2 | Very high | 42 Ų | 42 | 59 Ų | 59 | 22% | 0.215 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -84.5 | 118.7 | -177.4 | -60.9 | 172.7 | 0 | 0 | 0 | 109.7 | L11 Y12 T15 P39 Y41 L97 | L11-I17 WeakPolarHBondContact CD1-O 3.49Å; Y12-I17 PolarHBondContact N-O 3.16Å; T15-I17 VanDerWaalsContact C-N 3.33Å; T15-I17 WeakPolarHBondContact OG1-CB 3.43Å; T15-I17 PolarHBondContact OG1-N 2.85Å; I17-P39 HydrophobicContact CG2-CB 4.35Å; I17-P39 HydrophobicContact CG2-CG 4.02Å; I17-Y41 HydrophobicContact CD1-CD1 3.81Å; I17-Y41 HydrophobicContact CD1-CD2 2.99Å; I17-Y41 HydrophobicContact CD1-CE1 4.21Å; I17-Y41 HydrophobicContact CD1-CE2 3.43Å; I17-Y41 VanDerWaalsContact CD1-CE2 3.43Å; I17-Y41 HydrophobicContact CD1-CG 3.2Å; I17-Y41 HydrophobicContact CG1-CD2 4.5Å; I17-L97 HydrophobicContact CG2-CD1 3.72Å |
| 18 | Q | 97.4 | Very high | 95.5 | Very high | 109 Ų | 109 | 60.8 Ų | 60.8 | 51% | 0.509 | 32% | 0.317 | S | S | . | . | B | Isolated β-bridge | trans | -83 | 125.9 | 175.2 | -176.2 | 56.6 | 44.5 | 0 | 0 | 109.7 | Q16 P39 | Q16-Q18 PolarHBondContact O-N 3.23Å; Q18-P39 VanDerWaalsContact O-CG 3.31Å; Q18-P39 WeakPolarHBondContact O-CG 3.43Å |
| 19 | R | 98 | Very high | 95.6 | Very high | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.008 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 144.7 | 172.2 | -65.3 | 177.1 | 170.3 | -92.7 | 8.2 | 110.5 | C7 S10 T95 G96 L97 P212 N214 | C7-R19 WeakPolarHBondContact O-CD 3.47Å; C7-R19 PolarHBondContact O-NE 3.4Å; C7-R19 PolarHBondContact O-NH1 2.87Å; S10-R19 WeakPolarHBondContact O-CB 3.43Å; S10-R19 WeakPolarHBondContact O-CD 3.4Å; S10-R19 VanDerWaalsContact O-CG 3.25Å; S10-R19 WeakPolarHBondContact O-CG 3.33Å; S10-R19 PolarHBondContact O-N 2.87Å; R19-T95 PolarHBondContact NH1-O 3.28Å; R19-T95 PolarHBondContact NH1-OG1 3.1Å; R19-G96 CarbonylContact C-O 3.57Å; R19-G96 VanDerWaalsContact CA-O 3.28Å; R19-G96 WeakPolarHBondContact CA-O 3.42Å; R19-L97 HydrophobicContact CG-CB 4.28Å; R19-L97 VanDerWaalsContact NH1-CB 3.3Å; R19-P212 PolarHBondContact NH2-O 3.13Å; R19-N214 PolarHBondContact NH1-O 2.73Å; R19-N214 VanDerWaalsContact NH1-O 3.1Å; R19-N214 PolarHBondContact NH2-O 3.44Å |
| 20 | F | 98.1 | Very high | 95.7 | Very high | 46 Ų | 46 | 64.9 Ų | 64.9 | 20% | 0.202 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 135.8 | 171.9 | -174.1 | -80.4 | 0 | 0 | 0 | 110.3 | V22 Y33 E35 Y36 A37 P38 G96 | F20-V22 PolarHBondContact O-N 2.81Å; F20-Y33 HydrophobicContact CE1-CE1 4.09Å; F20-Y33 AromaticContact CE1-CZ 3.87Å; F20-E35 WeakPolarHBondContact CE2-O 3.49Å; F20-E35 WeakPolarHBondContact CZ-O 3.2Å; F20-Y36 HydrophobicContact CB-CE2 4.47Å; F20-Y36 AromaticContact CD1-CD2 3.53Å; F20-Y36 HydrophobicContact CD1-CD2 3.53Å; F20-Y36 AromaticContact CD1-CE2 3.84Å; F20-Y36 HydrophobicContact CD1-CE2 3.84Å; F20-Y36 AromaticContact CE1-CD2 3.82Å; F20-Y36 HydrophobicContact CE1-CD2 3.82Å; F20-Y36 HydrophobicContact CG-CD2 4.32Å; F20-Y36 HydrophobicContact CG-CE2 4.41Å; F20-A37 HydrophobicContact CD2-CB 4.48Å; F20-A37 VanDerWaalsContact CD2-O 3.24Å; F20-A37 WeakPolarHBondContact CD2-O 3.37Å; F20-A37 HydrophobicContact CE2-CB 4.2Å; F20-P38 HydrophobicContact CB-CB 4.17Å; F20-G96 PolarHBondContact N-O 2.73Å; F20-G96 WeakPolarHBondContact O-CA 3.49Å |
| 21 | P | 97.6 | Very high | 96 | Very high | 82 Ų | 82 | 65 Ų | 65 | 53% | 0.532 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 124.2 | 179.5 | -24.1 | 34.7 | 0 | 0 | 0 | 112.9 | N9 Y33 | N9-P21 WeakPolarHBondContact OD1-CA 3.37Å; P21-Y33 PolarHBondContact O-OH 3.19Å |
| 22 | V | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 36% | 0.36 | C | S | . | . | trans | -123.2 | 104.7 | 176.5 | 179.1 | 0 | 0 | 0 | 0 | 107.7 | R8 N9 F20 V27 Y36 R94 | R8-V22 HydrophobicContact CG-CB 4.43Å; R8-V22 PolarHBondContact NH1-O 3.36Å; N9-V22 PolarHBondContact ND2-O 2.8Å; N9-V22 PolarHBondContact OD1-N 3.19Å; N9-V22 PolarHBondContact OD1-O 2.91Å; F20-V22 PolarHBondContact O-N 2.81Å; V22-V27 HydrophobicContact CG1-CB 4.43Å; V22-V27 HydrophobicContact CG1-CG2 3.76Å; V22-Y36 HydrophobicContact CG2-CD2 4.13Å; V22-Y36 HydrophobicContact CG2-CE2 3.47Å; V22-Y36 VanDerWaalsContact CG2-CE2 3.47Å; V22-R94 HydrophobicContact CG1-CB 3.92Å; V22-R94 HydrophobicContact CG2-CB 4.09Å | ||
| 23 | P | 96.1 | Very high | 96.2 | Very high | 45 Ų | 45 | 69.3 Ų | 69.3 | 29% | 0.292 | 37% | 0.367 | S | S | . | . | trans | -60.4 | 157.3 | 168.2 | -23.9 | 34.6 | 0 | 0 | 0 | 112.3 | R8 E25 K26 V27 | R8-P23 PolarHBondContact NH1-O 2.97Å; P23-E25 VanDerWaalsContact C-N 3.31Å; P23-E25 VanDerWaalsContact CB-CD 3.48Å; P23-E25 HydrophobicContact CB-CG 4.48Å; P23-E25 WeakPolarHBondContact CB-OE1 3.35Å; P23-E25 WeakPolarHBondContact CB-OE2 3.15Å; P23-E25 PolarHBondContact O-N 3.23Å; P23-K26 HydrophobicContact CB-CG 4.38Å; P23-K26 HydrophobicContact CG-CG 4.4Å; P23-K26 PolarHBondContact O-N 2.65Å; P23-V27 PolarHBondContact O-N 2.64Å | ||
| 24 | D | 95.8 | Very high | 96.4 | Very high | 90 Ų | 90 | 66.9 Ų | 66.9 | 48% | 0.481 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -59.4 | -41.3 | -175.7 | -80.5 | 8.4 | 0 | 0 | 0 | 112.4 | I3 R8 K26 V27 | I3-D24 HydrophobicContact CD1-CB 4Å; I3-D24 WeakPolarHBondContact CD1-O 3.21Å; R8-D24 IonicContact CZ-OD1 3.56Å; R8-D24 VanDerWaalsContact CZ-OD1 3.27Å; R8-D24 IonicContact NH1-OD1 3.62Å; R8-D24 PolarHBondContact NH1-OD1 3.41Å; R8-D24 IonicContact NH2-OD1 3.53Å; R8-D24 PolarHBondContact NH2-OD1 3.29Å; D24-K26 PolarHBondContact O-N 2.91Å; D24-V27 PolarHBondContact O-N 2.83Å |
| 25 | E | 95.7 | Very high | 96.8 | Very high | 130 Ų | 130 | 68 Ų | 68 | 61% | 0.607 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -68.7 | -13.3 | 177.2 | 69.3 | -81.6 | -166.9 | 0 | 0 | 113.8 | P23 V31 | P23-E25 VanDerWaalsContact C-N 3.31Å; P23-E25 VanDerWaalsContact CB-CD 3.48Å; P23-E25 HydrophobicContact CB-CG 4.48Å; P23-E25 WeakPolarHBondContact CB-OE1 3.35Å; P23-E25 WeakPolarHBondContact CB-OE2 3.15Å; P23-E25 PolarHBondContact O-N 3.23Å; E25-V31 WeakPolarHBondContact O-CG1 3.24Å |
| 26 | K | 97.2 | Very high | 97 | Very high | 57 Ų | 57 | 68.8 Ų | 68.8 | 25% | 0.248 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -106.5 | 2.4 | 179.4 | -63.9 | -56.7 | -167.6 | 175.8 | 0 | 113.8 | P23 D24 V31 P32 Y33 R94 | P23-K26 HydrophobicContact CB-CG 4.38Å; P23-K26 HydrophobicContact CG-CG 4.4Å; P23-K26 PolarHBondContact O-N 2.65Å; D24-K26 PolarHBondContact O-N 2.91Å; K26-V31 HydrophobicContact CD-CG1 3.68Å; K26-P32 PolarHBondContact NZ-O 2.63Å; K26-Y33 HydrophobicContact CB-CD1 3.56Å; K26-Y33 HydrophobicContact CB-CE1 3.74Å; K26-Y33 HydrophobicContact CB-CG 4.13Å; K26-Y33 HydrophobicContact CD-CD1 4.41Å; K26-Y33 HydrophobicContact CD-CD2 4.36Å; K26-Y33 HydrophobicContact CD-CG 4.11Å; K26-Y33 HydrophobicContact CG-CD1 3.98Å; K26-Y33 HydrophobicContact CG-CD2 4.36Å; K26-Y33 HydrophobicContact CG-CE1 4.08Å; K26-Y33 HydrophobicContact CG-CE2 4.44Å; K26-Y33 HydrophobicContact CG-CG 4.11Å; K26-R94 WeakPolarHBondContact O-CD 3.37Å; K26-R94 PolarHBondContact O-NH1 2.97Å |
| 27 | V | 97.2 | Very high | 97.2 | Very high | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.018 | 36% | 0.36 | C | S | . | . | trans | -65.3 | -46.6 | 179.7 | 177.9 | 0 | 0 | 0 | 0 | 111.5 | I3 N4 R8 V22 P23 D24 W29 G93 R94 | I3-V27 HydrophobicContact CD1-CB 3.96Å; I3-V27 HydrophobicContact CD1-CG1 4.45Å; I3-V27 HydrophobicContact CD1-CG2 3.64Å; I3-V27 HydrophobicContact CG1-CB 3.77Å; I3-V27 HydrophobicContact CG1-CG1 3.7Å; I3-V27 HydrophobicContact CG1-CG2 3.69Å; N4-V27 HydrophobicContact CB-CG1 4.34Å; R8-V27 VanDerWaalsContact NE-CG2 3.35Å; V22-V27 HydrophobicContact CG1-CB 4.43Å; V22-V27 HydrophobicContact CG1-CG2 3.76Å; P23-V27 PolarHBondContact O-N 2.64Å; D24-V27 PolarHBondContact O-N 2.83Å; V27-W29 PolarHBondContact O-N 3.18Å; V27-G93 CarbonylContact O-C 3.42Å; V27-G93 WeakPolarHBondContact O-CA 3.4Å; V27-R94 PolarHBondContact O-N 2.71Å | ||
| 28 | S | 96.8 | Very high | 97.2 | Very high | 38 Ų | 38 | 63.5 Ų | 63.5 | 27% | 0.266 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -66 | 132.7 | -176.6 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | S30 V31 R94 | S28-S30 PolarHBondContact O-N 2.93Å; S28-S30 PolarHBondContact OG-OG 2.84Å; S28-V31 PolarHBondContact O-N 2.96Å; S28-R94 PolarHBondContact O-NH1 2.97Å |
| 29 | W | 96.6 | Very high | 97.3 | Very high | 78 Ų | 78 | 60.7 Ų | 60.7 | 30% | 0.295 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -27.4 | 176.7 | -63.1 | 115.8 | 0 | 0 | 0 | 113.2 | V27 V31 Y36 I89 N90 G93 R94 D216 | V27-W29 PolarHBondContact O-N 3.18Å; W29-V31 PolarHBondContact O-N 3.17Å; W29-Y36 HydrophobicContact CH2-CE1 4.2Å; W29-Y36 HydrophobicContact CZ3-CE1 4.16Å; W29-I89 HydrophobicContact CD2-CG2 3.94Å; W29-I89 HydrophobicContact CG-CG2 4.19Å; W29-I89 HydrophobicContact CZ2-CG2 3.74Å; W29-N90 PolarHBondContact NE1-O 2.76Å; W29-G93 VanDerWaalsContact NE1-CA 3.29Å; W29-R94 HydrophobicContact CD2-CG 4.14Å; W29-R94 HydrophobicContact CE3-CG 3.64Å; W29-R94 HydrophobicContact CH2-CB 4.28Å; W29-R94 HydrophobicContact CH2-CG 3.48Å; W29-R94 VanDerWaalsContact CH2-CG 3.48Å; W29-R94 HydrophobicContact CZ2-CB 4.49Å; W29-R94 HydrophobicContact CZ2-CG 3.97Å; W29-R94 HydrophobicContact CZ3-CG 3.3Å; W29-D216 HydrophobicContact CH2-CB 4.02Å; W29-D216 HydrophobicContact CZ2-CB 4.13Å |
| 30 | S | 95.9 | Very high | 97.3 | Very high | 102 Ų | 102 | 65.3 Ų | 65.3 | 71% | 0.713 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -16.9 | 176.7 | 66 | 0 | 0 | 0 | 0 | 113.6 | S28 P32 | S28-S30 PolarHBondContact O-N 2.93Å; S28-S30 PolarHBondContact OG-OG 2.84Å; S30-P32 WeakPolarHBondContact O-CD 3.31Å |
| 31 | V | 97.1 | Very high | 97.3 | Very high | 45 Ų | 45 | 65.1 Ų | 65.1 | 27% | 0.273 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -89.9 | 122.3 | 175 | -177.1 | 0 | 0 | 0 | 0 | 109.1 | E25 K26 S28 W29 Y33 R94 | E25-V31 WeakPolarHBondContact O-CG1 3.24Å; K26-V31 HydrophobicContact CD-CG1 3.68Å; S28-V31 PolarHBondContact O-N 2.96Å; W29-V31 PolarHBondContact O-N 3.17Å; V31-Y33 PolarHBondContact O-N 3.19Å; V31-R94 PolarHBondContact O-NH1 3.23Å; V31-R94 VanDerWaalsContact O-NH1 3.08Å; V31-R94 PolarHBondContact O-NH2 3Å |
| 32 | P | 97.8 | Very high | 97.3 | Very high | 105 Ų | 105 | 63 Ų | 63 | 68% | 0.682 | 35% | 0.352 | S | S | * | . | trans | -58.9 | 135.2 | 174.1 | -25.2 | 34.8 | 0 | 0 | 0 | 111.7 | K26 S30 | K26-P32 PolarHBondContact NZ-O 2.63Å; S30-P32 WeakPolarHBondContact O-CD 3.31Å | ||
| 33 | Y | 97.9 | Very high | 97.3 | Very high | 41 Ų | 41 | 63.2 Ų | 63.2 | 16% | 0.161 | 35% | 0.354 | C | S | . | . | trans | -145.8 | 80.9 | 175.4 | -163.8 | -173.3 | 0 | 0 | 0 | 109 | F20 P21 K26 V31 E35 Y36 | F20-Y33 HydrophobicContact CE1-CE1 4.09Å; F20-Y33 AromaticContact CE1-CZ 3.87Å; P21-Y33 PolarHBondContact O-OH 3.19Å; K26-Y33 HydrophobicContact CB-CD1 3.56Å; K26-Y33 HydrophobicContact CB-CE1 3.74Å; K26-Y33 HydrophobicContact CB-CG 4.13Å; K26-Y33 HydrophobicContact CD-CD1 4.41Å; K26-Y33 HydrophobicContact CD-CD2 4.36Å; K26-Y33 HydrophobicContact CD-CG 4.11Å; K26-Y33 HydrophobicContact CG-CD1 3.98Å; K26-Y33 HydrophobicContact CG-CD2 4.36Å; K26-Y33 HydrophobicContact CG-CE1 4.08Å; K26-Y33 HydrophobicContact CG-CE2 4.44Å; K26-Y33 HydrophobicContact CG-CG 4.11Å; V31-Y33 PolarHBondContact O-N 3.19Å; Y33-E35 HydrophobicContact CD2-CB 4.47Å; Y33-E35 WeakPolarHBondContact CD2-OE2 3.09Å; Y33-E35 HydrophobicContact CE2-CB 4.22Å; Y33-E35 PolarHBondContact O-N 3.12Å; Y33-Y36 AromaticContact CD1-CD2 3.92Å; Y33-Y36 HydrophobicContact CD1-CD2 3.92Å; Y33-Y36 HydrophobicContact CD1-CG 4.12Å; Y33-Y36 AromaticContact CE1-CD2 3.98Å; Y33-Y36 HydrophobicContact CE1-CD2 3.98Å; Y33-Y36 WeakPolarHBondContact O-CB 3.33Å; Y33-Y36 PolarHBondContact O-N 2.87Å; Y33-Y36 VanDerWaalsContact O-N 3.16Å | ||
| 34 | S | 97.3 | Very high | 97.3 | Very high | 109 Ų | 109 | 65.5 Ų | 65.5 | 76% | 0.762 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -31.3 | -173.3 | 27.2 | 0 | 0 | 0 | 0 | 113.5 | Y36 | S34-Y36 PolarHBondContact O-N 2.82Š|
| 35 | E | 97.5 | Very high | 97.3 | Very high | 119 Ų | 119 | 65.7 Ų | 65.7 | 56% | 0.556 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -7.7 | -177.9 | -54 | 69.1 | -144.4 | 0 | 0 | 112 | F20 Y33 A37 | F20-E35 WeakPolarHBondContact CE2-O 3.49Å; F20-E35 WeakPolarHBondContact CZ-O 3.2Å; Y33-E35 HydrophobicContact CD2-CB 4.47Å; Y33-E35 WeakPolarHBondContact CD2-OE2 3.09Å; Y33-E35 HydrophobicContact CE2-CB 4.22Å; Y33-E35 PolarHBondContact O-N 3.12Å; E35-A37 PolarHBondContact O-N 3.31Å |
| 36 | Y | 98.3 | Very high | 97.4 | Very high | 36 Ų | 36 | 59.7 Ų | 59.7 | 14% | 0.141 | 34% | 0.341 | C | S | . | . | trans | -64.9 | 101.8 | -175.3 | -172.1 | -116.3 | 0 | 0 | 0 | 111.3 | F20 V22 W29 Y33 S34 P38 R94 G96 D216 | F20-Y36 HydrophobicContact CB-CE2 4.47Å; F20-Y36 AromaticContact CD1-CD2 3.53Å; F20-Y36 HydrophobicContact CD1-CD2 3.53Å; F20-Y36 AromaticContact CD1-CE2 3.84Å; F20-Y36 HydrophobicContact CD1-CE2 3.84Å; F20-Y36 AromaticContact CE1-CD2 3.82Å; F20-Y36 HydrophobicContact CE1-CD2 3.82Å; F20-Y36 HydrophobicContact CG-CD2 4.32Å; F20-Y36 HydrophobicContact CG-CE2 4.41Å; V22-Y36 HydrophobicContact CG2-CD2 4.13Å; V22-Y36 HydrophobicContact CG2-CE2 3.47Å; V22-Y36 VanDerWaalsContact CG2-CE2 3.47Å; W29-Y36 HydrophobicContact CH2-CE1 4.2Å; W29-Y36 HydrophobicContact CZ3-CE1 4.16Å; Y33-Y36 AromaticContact CD1-CD2 3.92Å; Y33-Y36 HydrophobicContact CD1-CD2 3.92Å; Y33-Y36 HydrophobicContact CD1-CG 4.12Å; Y33-Y36 AromaticContact CE1-CD2 3.98Å; Y33-Y36 HydrophobicContact CE1-CD2 3.98Å; Y33-Y36 WeakPolarHBondContact O-CB 3.33Å; Y33-Y36 PolarHBondContact O-N 2.87Å; Y33-Y36 VanDerWaalsContact O-N 3.16Å; S34-Y36 PolarHBondContact O-N 2.82Å; Y36-P38 VanDerWaalsContact C-CD 3.49Å; Y36-P38 HydrophobicContact CD1-CG 4.09Å; Y36-P38 HydrophobicContact CE1-CB 4.28Å; Y36-P38 HydrophobicContact CE1-CG 3.49Å; Y36-P38 VanDerWaalsContact CE1-CG 3.49Å; Y36-P38 HydrophobicContact CE2-CB 4.21Å; Y36-P38 HydrophobicContact CE2-CG 4.22Å; Y36-R94 HydrophobicContact CD1-CG 4.21Å; Y36-R94 HydrophobicContact CE1-CB 4.3Å; Y36-R94 HydrophobicContact CE1-CG 3.74Å; Y36-R94 HydrophobicContact CE2-CB 4.14Å; Y36-R94 HydrophobicContact CE2-CG 4.25Å; Y36-G96 VanDerWaalsContact OH-CA 3.28Å; Y36-G96 WeakPolarHBondContact OH-CA 3.17Å; Y36-G96 PolarHBondContact OH-N 2.93Å; Y36-D216 VanDerWaalsContact CE1-OD2 3.28Å; Y36-D216 WeakPolarHBondContact CE1-OD2 3.2Å; Y36-D216 VanDerWaalsContact CZ-OD2 3.32Å; Y36-D216 VanDerWaalsContact OH-CG 3.23Å; Y36-D216 PolarHBondContact OH-OD1 3.31Å; Y36-D216 VanDerWaalsContact OH-OD1 3.13Å; Y36-D216 PolarHBondContact OH-OD2 3.49Å | ||
| 37 | A | 97.8 | Very high | 97.3 | Very high | 71 Ų | 71 | 66 Ų | 66 | 59% | 0.587 | 37% | 0.368 | S | S | * | . | trans | -128.4 | 67.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | F20 E35 | F20-A37 HydrophobicContact CD2-CB 4.48Å; F20-A37 VanDerWaalsContact CD2-O 3.24Å; F20-A37 WeakPolarHBondContact CD2-O 3.37Å; F20-A37 HydrophobicContact CE2-CB 4.2Å; E35-A37 PolarHBondContact O-N 3.31Å | ||
| 38 | P | 98.2 | Very high | 97.2 | Very high | 25 Ų | 25 | 71.3 Ų | 71.3 | 16% | 0.162 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 142.1 | 179 | 30.1 | -38.3 | 0 | 0 | 0 | 111.7 | F20 Y36 G96 T98 | F20-P38 HydrophobicContact CB-CB 4.17Å; Y36-P38 VanDerWaalsContact C-CD 3.49Å; Y36-P38 HydrophobicContact CD1-CG 4.09Å; Y36-P38 HydrophobicContact CE1-CB 4.28Å; Y36-P38 HydrophobicContact CE1-CG 3.49Å; Y36-P38 VanDerWaalsContact CE1-CG 3.49Å; Y36-P38 HydrophobicContact CE2-CB 4.21Å; Y36-P38 HydrophobicContact CE2-CG 4.22Å; P38-G96 VanDerWaalsContact CB-C 3.49Å; P38-T98 HydrophobicContact CB-CG2 4.18Å; P38-T98 HydrophobicContact CG-CG2 3.43Å; P38-T98 VanDerWaalsContact CG-CG2 3.43Å |
| 39 | P | 98.1 | Very high | 97.2 | Very high | 50 Ų | 50 | 70.2 Ų | 70.2 | 33% | 0.325 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -63 | 148.2 | 169.2 | 23.7 | -28.3 | 0 | 0 | 0 | 110.4 | I17 Q18 L97 T98 | I17-P39 HydrophobicContact CG2-CB 4.35Å; I17-P39 HydrophobicContact CG2-CG 4.02Å; Q18-P39 VanDerWaalsContact O-CG 3.31Å; Q18-P39 WeakPolarHBondContact O-CG 3.43Å; P39-L97 HydrophobicContact CB-CD1 4.47Å; P39-L97 HydrophobicContact CG-CD1 3.92Å; P39-L97 WeakPolarHBondContact O-CD1 3.44Å; P39-T98 PolarHBondContact O-N 2.87Å; P39-T98 PolarHBondContact O-OG1 2.92Å |
| 40 | E | 97.9 | Very high | 97.1 | Very high | 99 Ų | 99 | 71.6 Ų | 71.6 | 46% | 0.463 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 130.9 | 172 | -178.3 | 149.8 | 173.6 | 0 | 0 | 110.4 | R87 T98 | E40-R87 IonicContact OE1-CZ 2.75Å; E40-R87 IonicContact OE1-NH1 3.22Å; E40-R87 PolarHBondContact OE1-NH1 3.15Å; E40-R87 IonicContact OE1-NH2 3.25Å; E40-R87 PolarHBondContact OE1-NH2 3.18Å; E40-R87 IonicContact OE2-CZ 3.35Å; E40-R87 IonicContact OE2-NH1 3.46Å; E40-R87 PolarHBondContact OE2-NH1 3.2Å; E40-R87 IonicContact OE2-NH2 2.84Å; E40-R87 PolarHBondContact OE2-NH2 2.92Å; E40-T98 VanDerWaalsContact CA-OG1 3.25Å; E40-T98 WeakPolarHBondContact CA-OG1 3.18Å; E40-T98 WeakPolarHBondContact CB-OG1 3.26Å |
| 41 | Y | 98.1 | Very high | 97 | Very high | 43 Ų | 43 | 72.9 Ų | 72.9 | 17% | 0.169 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 133.5 | 176.1 | -177.2 | -121 | 0 | 0 | 0 | 113.1 | Y12 T15 I17 A43 T98 R100 G101 R102 | Y12-Y41 AromaticContact CD1-CD1 3.69Å; Y12-Y41 HydrophobicContact CD1-CD1 3.69Å; Y12-Y41 AromaticContact CD1-CE1 3.86Å; Y12-Y41 HydrophobicContact CD1-CE1 3.86Å; Y12-Y41 AromaticContact CE1-CD1 3.69Å; Y12-Y41 HydrophobicContact CE1-CD1 3.69Å; Y12-Y41 AromaticContact CE1-CE1 3.78Å; Y12-Y41 HydrophobicContact CE1-CE1 3.78Å; T15-Y41 HydrophobicContact CG2-CE1 3.62Å; T15-Y41 WeakPolarHBondContact CG2-OH 3.46Å; I17-Y41 HydrophobicContact CD1-CD1 3.81Å; I17-Y41 HydrophobicContact CD1-CD2 2.99Å; I17-Y41 HydrophobicContact CD1-CE1 4.21Å; I17-Y41 HydrophobicContact CD1-CE2 3.43Å; I17-Y41 VanDerWaalsContact CD1-CE2 3.43Å; I17-Y41 HydrophobicContact CD1-CG 3.2Å; I17-Y41 HydrophobicContact CG1-CD2 4.5Å; Y41-A43 HydrophobicContact CE1-CB 4.17Å; Y41-T98 PolarHBondContact N-O 2.87Å; Y41-R100 PolarHBondContact O-N 3.13Å; Y41-G101 WeakPolarHBondContact O-CA 3.32Å; Y41-G101 PolarHBondContact O-N 3.44Å; Y41-R102 HydrophobicContact CE1-CG 4.36Å |
| 42 | N | 98 | Very high | 97.1 | Very high | 36 Ų | 36 | 71.4 Ų | 71.4 | 19% | 0.193 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 121.8 | 167.8 | -64.4 | -79.6 | 0 | 0 | 0 | 107.4 | L46 R100 G101 | N42-L46 HydrophobicContact CB-CD1 4.39Å; N42-R100 WeakPolarHBondContact OD1-CB 3.39Å; N42-R100 PolarHBondContact OD1-N 2.75Å; N42-G101 CarbonylContact C-O 3.46Å; N42-G101 WeakPolarHBondContact CA-O 3.47Å |
| 43 | A | 97.6 | Very high | 97.1 | Very high | 5 Ų | 5 | 66.8 Ų | 66.8 | 4% | 0.041 | 37% | 0.374 | C | S | . | . | trans | -62.8 | 140.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y41 I45 L46 G101 R102 | Y41-A43 HydrophobicContact CE1-CB 4.17Å; A43-I45 HydrophobicContact CB-CG2 4.17Å; A43-I45 PolarHBondContact O-N 2.77Å; A43-I45 VanDerWaalsContact O-N 3.08Å; A43-L46 HydrophobicContact CB-CD1 4.47Å; A43-L46 HydrophobicContact CB-CG 4.28Å; A43-L46 VanDerWaalsContact O-CB 3.3Å; A43-L46 WeakPolarHBondContact O-CB 3.42Å; A43-L46 WeakPolarHBondContact O-CG 3.22Å; A43-L46 PolarHBondContact O-N 3.42Å; A43-G101 WeakPolarHBondContact CB-O 3.42Å; A43-G101 PolarHBondContact N-O 3.48Å; A43-R102 HydrophobicContact CB-CB 4.44Å; A43-R102 HydrophobicContact CB-CG 3.76Å | ||
| 44 | P | 97 | Very high | 97 | Very high | 94 Ų | 94 | 67.4 Ų | 67.4 | 61% | 0.61 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -54.3 | -34.6 | -175.4 | -29.5 | 35.7 | 0 | 0 | 0 | 114.5 | L46 K47 | P44-L46 PolarHBondContact O-N 2.87Å; P44-K47 WeakPolarHBondContact O-CB 3.47Å; P44-K47 PolarHBondContact O-N 3.3Å; P44-K47 VanDerWaalsContact O-N 3.14Å |
| 45 | I | 96.4 | Very high | 97 | Very high | 94 Ų | 94 | 65 Ų | 65 | 48% | 0.482 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -60.4 | -26.5 | 178.4 | -169.7 | 57.6 | 0 | 0 | 0 | 113.2 | A43 K47 T48 A49 W51 | A43-I45 HydrophobicContact CB-CG2 4.17Å; A43-I45 PolarHBondContact O-N 2.77Å; A43-I45 VanDerWaalsContact O-N 3.08Å; I45-K47 PolarHBondContact O-N 3.13Å; I45-K47 VanDerWaalsContact O-N 3.14Å; I45-T48 PolarHBondContact O-N 3.25Å; I45-T48 PolarHBondContact O-OG1 2.86Å; I45-A49 HydrophobicContact CG1-CB 4.28Å; I45-A49 VanDerWaalsContact O-CB 3.26Å; I45-A49 WeakPolarHBondContact O-CB 3.29Å; I45-A49 PolarHBondContact O-N 3.09Å; I45-W51 HydrophobicContact CG1-CZ2 4.25Å; I45-W51 HydrophobicContact CG2-CH2 4.41Å |
| 46 | L | 97.3 | Very high | 96.9 | Very high | 4 Ų | 4 | 61.3 Ų | 61.3 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -66.2 | -15.5 | 178.7 | -59.8 | -178.4 | 0 | 0 | 0 | 113.1 | N42 A43 P44 W51 A52 R100 G101 L103 | N42-L46 HydrophobicContact CB-CD1 4.39Å; A43-L46 HydrophobicContact CB-CD1 4.47Å; A43-L46 HydrophobicContact CB-CG 4.28Å; A43-L46 VanDerWaalsContact O-CB 3.3Å; A43-L46 WeakPolarHBondContact O-CB 3.42Å; A43-L46 WeakPolarHBondContact O-CG 3.22Å; A43-L46 PolarHBondContact O-N 3.42Å; P44-L46 PolarHBondContact O-N 2.87Å; L46-W51 HydrophobicContact CD2-CH2 3.59Å; L46-W51 HydrophobicContact CD2-CZ3 3.5Å; L46-A52 HydrophobicContact CB-CB 4.28Å; L46-A52 HydrophobicContact CD2-CB 3.88Å; L46-R100 HydrophobicContact CD1-CB 3.92Å; L46-G101 WeakPolarHBondContact CD1-O 3.34Å; L46-L103 WeakPolarHBondContact CD1-O 3.46Å; L46-L103 WeakPolarHBondContact CD2-O 3.3Å |
| 47 | K | 95.2 | Very high | 96.7 | Very high | 188 Ų | 188 | 64 Ų | 64 | 82% | 0.817 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -78.7 | -22.5 | 177.6 | -62.7 | -176.3 | 179.1 | -177.1 | 0 | 113 | P44 I45 | P44-K47 WeakPolarHBondContact O-CB 3.47Å; P44-K47 PolarHBondContact O-N 3.3Å; P44-K47 VanDerWaalsContact O-N 3.14Å; I45-K47 PolarHBondContact O-N 3.13Å; I45-K47 VanDerWaalsContact O-N 3.14Å |
| 48 | T | 95.3 | Very high | 96.6 | Very high | 116 Ų | 116 | 64.1 Ų | 64.1 | 71% | 0.712 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.8 | -18.5 | -171.2 | 56.3 | 0 | 0 | 0 | 0 | 113.6 | I45 A50 | I45-T48 PolarHBondContact O-N 3.25Å; I45-T48 PolarHBondContact O-OG1 2.86Å; T48-A50 PolarHBondContact O-N 3.47Å |
| 49 | A | 96 | Very high | 96.4 | Very high | 14 Ų | 14 | 69.5 Ų | 69.5 | 12% | 0.116 | 39% | 0.388 | C | S | . | . | trans | -68.3 | 125.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I45 W51 A52 | I45-A49 HydrophobicContact CG1-CB 4.28Å; I45-A49 VanDerWaalsContact O-CB 3.26Å; I45-A49 WeakPolarHBondContact O-CB 3.29Å; I45-A49 PolarHBondContact O-N 3.09Å; A49-W51 HydrophobicContact CB-CD2 3.77Å; A49-W51 HydrophobicContact CB-CE3 4.35Å; A49-W51 HydrophobicContact CB-CG 4.2Å; A49-W51 HydrophobicContact CB-CH2 4.18Å; A49-W51 HydrophobicContact CB-CZ2 3.56Å; A49-W51 PolarHBondContact O-N 3.19Å; A49-A52 HydrophobicContact CB-CB 3.98Å; A49-A52 WeakPolarHBondContact O-CB 3.41Å; A49-A52 PolarHBondContact O-N 3.12Å | ||
| 50 | A | 94.7 | Very high | 96.3 | Very high | 107 Ų | 107 | 71.4 Ų | 71.4 | 88% | 0.884 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -27.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | T48 A52 | T48-A50 PolarHBondContact O-N 3.47Å; A50-A52 VanDerWaalsContact C-N 3.31Å |
| 51 | W | 94.3 | Very high | 96.2 | Very high | 130 Ų | 130 | 68 Ų | 68 | 49% | 0.492 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -14.8 | 175 | 52.6 | -105.4 | 0 | 0 | 0 | 113.1 | I45 L46 A49 G104 K105 | I45-W51 HydrophobicContact CG1-CZ2 4.25Å; I45-W51 HydrophobicContact CG2-CH2 4.41Å; L46-W51 HydrophobicContact CD2-CH2 3.59Å; L46-W51 HydrophobicContact CD2-CZ3 3.5Å; A49-W51 HydrophobicContact CB-CD2 3.77Å; A49-W51 HydrophobicContact CB-CE3 4.35Å; A49-W51 HydrophobicContact CB-CG 4.2Å; A49-W51 HydrophobicContact CB-CH2 4.18Å; A49-W51 HydrophobicContact CB-CZ2 3.56Å; A49-W51 PolarHBondContact O-N 3.19Å; W51-G104 VanDerWaalsContact CZ3-CA 3.41Å; W51-K105 VanDerWaalsContact O-CE 3.31Å; W51-K105 WeakPolarHBondContact O-CE 3.31Å; W51-K105 PolarHBondContact O-NZ 2.87Å |
| 52 | A | 97.4 | Very high | 96.2 | Very high | 13 Ų | 13 | 75.9 Ų | 75.9 | 11% | 0.107 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -87.9 | 144.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L46 A49 A50 | L46-A52 HydrophobicContact CB-CB 4.28Å; L46-A52 HydrophobicContact CD2-CB 3.88Å; A49-A52 HydrophobicContact CB-CB 3.98Å; A49-A52 WeakPolarHBondContact O-CB 3.41Å; A49-A52 PolarHBondContact O-N 3.12Å; A50-A52 VanDerWaalsContact C-N 3.31Å |
| 53 | D | 97.9 | Very high | 96.1 | Very high | 8 Ų | 8 | 75.2 Ų | 75.2 | 4% | 0.043 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 150.6 | 167.6 | -76.3 | -19.5 | 0 | 0 | 0 | 110.3 | F61 R74 R100 G104 K105 W106 | D53-F61 HydrophobicContact CB-CE1 4.06Å; D53-F61 HydrophobicContact CB-CE2 4.3Å; D53-F61 HydrophobicContact CB-CZ 3.63Å; D53-R74 IonicContact OD1-CZ 3.62Å; D53-R74 IonicContact OD1-NH1 2.84Å; D53-R74 IonicContact OD1-NH2 3.73Å; D53-R74 PolarHBondContact OD1-NH2 3.32Å; D53-R74 IonicContact OD2-CZ 3.86Å; D53-R74 IonicContact OD2-NH1 3.85Å; D53-R74 PolarHBondContact OD2-NH1 3.13Å; D53-R74 IonicContact OD2-NH2 2.97Å; D53-R74 PolarHBondContact OD2-NH2 2.99Å; D53-R100 VanDerWaalsContact O-CZ 3.3Å; D53-R100 PolarHBondContact O-NH1 2.95Å; D53-R100 PolarHBondContact O-NH2 2.78Å; D53-R100 VanDerWaalsContact O-NH2 3.11Å; D53-G104 PolarHBondContact N-O 3.35Å; D53-K105 WeakPolarHBondContact OD1-CD 3.19Å; D53-K105 IonicContact OD1-NZ 3.79Å; D53-K105 WeakPolarHBondContact OD2-CA 3.19Å; D53-W106 PolarHBondContact OD2-N 3Å |
| 54 | P | 96.9 | Very high | 96.2 | Very high | 55 Ų | 55 | 81.4 Ų | 81.4 | 36% | 0.357 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 163.8 | 162.7 | -22.1 | 33.3 | 0 | 0 | 0 | 112 | N58 F61 W106 | P54-N58 HydrophobicContact CB-CB 4.24Å; P54-F61 HydrophobicContact CB-CB 3.76Å; P54-F61 HydrophobicContact CB-CD1 4.04Å; P54-F61 HydrophobicContact CB-CD2 4.33Å; P54-F61 HydrophobicContact CB-CG 3.79Å; P54-F61 HydrophobicContact CG-CB 3.99Å; P54-F61 HydrophobicContact CG-CD1 4.48Å; P54-F61 HydrophobicContact CG-CD2 3.9Å; P54-F61 HydrophobicContact CG-CG 3.87Å; P54-F61 WeakPolarHBondContact O-CD1 3.48Å; P54-F61 WeakPolarHBondContact O-CE1 3.35Å; P54-W106 PolarHBondContact O-NE1 3.14Å |
| 55 | D | 96.2 | Very high | 96.2 | Very high | 59 Ų | 59 | 78.6 Ų | 78.6 | 32% | 0.316 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 147.9 | 169.6 | -162.2 | -87.7 | 0 | 0 | 0 | 111.1 | S57 N58 | D55-S57 PolarHBondContact O-N 3.33Å; D55-S57 WeakPolarHBondContact OD1-CB 3.23Å; D55-S57 PolarHBondContact OD1-N 3.47Å; D55-S57 PolarHBondContact OD1-OG 3.24Å; D55-N58 WeakPolarHBondContact O-CB 3.41Å; D55-N58 PolarHBondContact O-N 3.1Å |
| 56 | L | 96.4 | Very high | 96.3 | Very high | 40 Ų | 40 | 75.9 Ų | 75.9 | 21% | 0.209 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -18.3 | 177.6 | -69.7 | 170.1 | 0 | 0 | 0 | 112.8 | N58 F61 P63 F65 R87 W106 | L56-N58 PolarHBondContact O-N 3.35Å; L56-F61 HydrophobicContact CD2-CD1 4.14Å; L56-F61 HydrophobicContact CD2-CE1 3.8Å; L56-P63 HydrophobicContact CD2-CG 3.78Å; L56-F65 HydrophobicContact CD2-CZ 3.95Å; L56-R87 HydrophobicContact CD1-CB 4.4Å; L56-R87 HydrophobicContact CD1-CG 3.77Å; L56-W106 HydrophobicContact CB-CZ2 4.44Å; L56-W106 HydrophobicContact CD1-CD2 3.55Å; L56-W106 HydrophobicContact CD1-CE3 3.6Å; L56-W106 HydrophobicContact CD1-CG 4.12Å; L56-W106 HydrophobicContact CD1-CH2 4.03Å; L56-W106 HydrophobicContact CD1-CZ2 3.99Å; L56-W106 HydrophobicContact CD1-CZ3 3.84Å; L56-W106 HydrophobicContact CD2-CD2 4.43Å; L56-W106 HydrophobicContact CD2-CG 4.23Å; L56-W106 HydrophobicContact CG-CD2 3.76Å; L56-W106 HydrophobicContact CG-CE3 4.32Å; L56-W106 HydrophobicContact CG-CG 4.06Å; L56-W106 HydrophobicContact CG-CH2 4.45Å; L56-W106 HydrophobicContact CG-CZ2 3.92Å |
| 57 | S | 94.3 | Very high | 96.4 | Very high | 94 Ų | 94 | 77.5 Ų | 77.5 | 66% | 0.657 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -10.2 | 171.1 | 81.9 | 0 | 0 | 0 | 0 | 113.3 | D55 N59 | D55-S57 PolarHBondContact O-N 3.33Å; D55-S57 WeakPolarHBondContact OD1-CB 3.23Å; D55-S57 PolarHBondContact OD1-N 3.47Å; D55-S57 PolarHBondContact OD1-OG 3.24Å; S57-N59 PolarHBondContact O-N 3.48Å |
| 58 | N | 95.7 | Very high | 96.5 | Very high | 72 Ų | 72 | 73.3 Ų | 73.3 | 39% | 0.385 | 41% | 0.407 | S | S | . | . | trans | -79.6 | 108.6 | 177.3 | -175.6 | -17 | 0 | 0 | 0 | 110.2 | P54 D55 L56 A60 F61 | P54-N58 HydrophobicContact CB-CB 4.24Å; D55-N58 WeakPolarHBondContact O-CB 3.41Å; D55-N58 PolarHBondContact O-N 3.1Å; L56-N58 PolarHBondContact O-N 3.35Å; N58-A60 PolarHBondContact O-N 3.45Å; N58-A60 WeakPolarHBondContact OD1-CB 3.44Å; N58-A60 PolarHBondContact OD1-N 3.22Å; N58-F61 HydrophobicContact CB-CB 4.15Å; N58-F61 WeakPolarHBondContact O-CA 3.44Å; N58-F61 WeakPolarHBondContact O-CB 3.16Å; N58-F61 PolarHBondContact O-N 2.9Å | ||
| 59 | N | 93.5 | Very high | 96.6 | Very high | 139 Ų | 139 | 69.4 Ų | 69.4 | 74% | 0.743 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -21.4 | -179 | -68.1 | -28.3 | 0 | 0 | 0 | 115.2 | S57 F61 R62 | S57-N59 PolarHBondContact O-N 3.48Å; N59-F61 VanDerWaalsContact C-N 3.33Å; N59-R62 PolarHBondContact O-NE 3.19Å |
| 60 | A | 95.8 | Very high | 96.6 | Very high | 89 Ų | 89 | 71.5 Ų | 71.5 | 74% | 0.736 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -18.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | N58 | N58-A60 PolarHBondContact O-N 3.45Å; N58-A60 WeakPolarHBondContact OD1-CB 3.44Å; N58-A60 PolarHBondContact OD1-N 3.22Å |
| 61 | F | 96.8 | Very high | 96.7 | Very high | 29 Ų | 29 | 71.7 Ų | 71.7 | 13% | 0.127 | 39% | 0.39 | C | S | . | . | trans | -93.3 | 107.8 | 177.9 | -178.9 | -126.4 | 0 | 0 | 0 | 110.4 | D53 P54 L56 N58 N59 P63 W106 | D53-F61 HydrophobicContact CB-CE1 4.06Å; D53-F61 HydrophobicContact CB-CE2 4.3Å; D53-F61 HydrophobicContact CB-CZ 3.63Å; P54-F61 HydrophobicContact CB-CB 3.76Å; P54-F61 HydrophobicContact CB-CD1 4.04Å; P54-F61 HydrophobicContact CB-CD2 4.33Å; P54-F61 HydrophobicContact CB-CG 3.79Å; P54-F61 HydrophobicContact CG-CB 3.99Å; P54-F61 HydrophobicContact CG-CD1 4.48Å; P54-F61 HydrophobicContact CG-CD2 3.9Å; P54-F61 HydrophobicContact CG-CG 3.87Å; P54-F61 WeakPolarHBondContact O-CD1 3.48Å; P54-F61 WeakPolarHBondContact O-CE1 3.35Å; L56-F61 HydrophobicContact CD2-CD1 4.14Å; L56-F61 HydrophobicContact CD2-CE1 3.8Å; N58-F61 HydrophobicContact CB-CB 4.15Å; N58-F61 WeakPolarHBondContact O-CA 3.44Å; N58-F61 WeakPolarHBondContact O-CB 3.16Å; N58-F61 PolarHBondContact O-N 2.9Å; N59-F61 VanDerWaalsContact C-N 3.33Å; F61-P63 HydrophobicContact CD1-CG 4.25Å; F61-P63 HydrophobicContact CE1-CB 4.14Å; F61-P63 HydrophobicContact CE1-CG 3.69Å; F61-P63 HydrophobicContact CE2-CB 3.96Å; F61-P63 HydrophobicContact CE2-CG 4.28Å; F61-P63 HydrophobicContact CZ-CB 3.6Å; F61-P63 HydrophobicContact CZ-CG 3.7Å; F61-P63 WeakPolarHBondContact O-CD 3.36Å; F61-W106 AromaticContact CE1-CD1 3.74Å | ||
| 62 | R | 96.5 | Very high | 96.8 | Very high | 208 Ų | 208 | 66.6 Ų | 66.6 | 79% | 0.785 | 37% | 0.373 | S | S | * | . | trans | -122.6 | 71.2 | -178.7 | -61.4 | -176.9 | -177.3 | -156.8 | 0 | 110 | N59 K64 | N59-R62 PolarHBondContact O-NE 3.19Å; R62-K64 PolarHBondContact O-N 2.78Å | ||
| 63 | P | 97.6 | Very high | 96.9 | Very high | 22 Ų | 22 | 68 Ų | 68 | 14% | 0.143 | 38% | 0.379 | C | S | . | . | trans | -62 | 134.9 | -174.2 | 25.3 | -34.2 | 0 | 0 | 0 | 111.6 | L56 F61 F65 D69 | L56-P63 HydrophobicContact CD2-CG 3.78Å; F61-P63 HydrophobicContact CD1-CG 4.25Å; F61-P63 HydrophobicContact CE1-CB 4.14Å; F61-P63 HydrophobicContact CE1-CG 3.69Å; F61-P63 HydrophobicContact CE2-CB 3.96Å; F61-P63 HydrophobicContact CE2-CG 4.28Å; F61-P63 HydrophobicContact CZ-CB 3.6Å; F61-P63 HydrophobicContact CZ-CG 3.7Å; F61-P63 WeakPolarHBondContact O-CD 3.36Å; P63-F65 HydrophobicContact CB-CD1 4.32Å; P63-F65 HydrophobicContact CB-CE1 3.88Å; P63-F65 HydrophobicContact CB-CE2 4.43Å; P63-F65 HydrophobicContact CB-CZ 3.95Å; P63-F65 HydrophobicContact CG-CE1 3.88Å; P63-F65 HydrophobicContact CG-CE2 3.78Å; P63-F65 HydrophobicContact CG-CZ 3.41Å; P63-F65 VanDerWaalsContact CG-CZ 3.41Å; P63-F65 PolarHBondContact O-N 3.25Å; P63-D69 WeakPolarHBondContact CA-OD2 3.43Å | ||
| 64 | K | 98.1 | Very high | 96.9 | Very high | 134 Ų | 134 | 68 Ų | 68 | 58% | 0.583 | 38% | 0.378 | S | S | * | . | trans | -90.2 | 80.3 | 173.3 | -58.7 | 178.7 | -176.3 | 174.3 | 0 | 110.3 | R62 S67 D69 | R62-K64 PolarHBondContact O-N 2.78Å; K64-S67 WeakPolarHBondContact CB-OG 3.37Å; K64-S67 PolarHBondContact O-N 2.93Å; K64-S67 PolarHBondContact O-OG 2.82Å; K64-D69 HydrophobicContact CB-CB 4.05Å; K64-D69 PolarHBondContact N-OD2 3.12Å | ||
| 65 | F | 98.5 | Very high | 96.9 | Very high | 36 Ų | 36 | 71.2 Ų | 71.2 | 16% | 0.158 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 151.4 | 177.9 | -64.2 | -52 | 0 | 0 | 0 | 112.9 | L56 P63 S67 Y81 V83 G86 P88 W106 | L56-F65 HydrophobicContact CD2-CZ 3.95Å; P63-F65 HydrophobicContact CB-CD1 4.32Å; P63-F65 HydrophobicContact CB-CE1 3.88Å; P63-F65 HydrophobicContact CB-CE2 4.43Å; P63-F65 HydrophobicContact CB-CZ 3.95Å; P63-F65 HydrophobicContact CG-CE1 3.88Å; P63-F65 HydrophobicContact CG-CE2 3.78Å; P63-F65 HydrophobicContact CG-CZ 3.41Å; P63-F65 VanDerWaalsContact CG-CZ 3.41Å; P63-F65 PolarHBondContact O-N 3.25Å; F65-S67 PolarHBondContact O-N 3.47Å; F65-Y81 WeakPolarHBondContact CA-OH 3.4Å; F65-Y81 HydrophobicContact CB-CE2 3.94Å; F65-Y81 VanDerWaalsContact CB-OH 3.29Å; F65-Y81 WeakPolarHBondContact CB-OH 3.49Å; F65-Y81 HydrophobicContact CD1-CE2 4.4Å; F65-Y81 WeakPolarHBondContact CD1-OH 3.41Å; F65-Y81 HydrophobicContact CG-CE2 4.31Å; F65-V83 HydrophobicContact CB-CG2 3.76Å; F65-V83 HydrophobicContact CD2-CB 4.47Å; F65-V83 HydrophobicContact CD2-CG1 3.85Å; F65-V83 HydrophobicContact CD2-CG2 3.71Å; F65-V83 HydrophobicContact CE2-CG1 4.14Å; F65-V83 HydrophobicContact CG-CG2 3.94Å; F65-G86 WeakPolarHBondContact CE2-O 3.41Å; F65-P88 HydrophobicContact CD1-CB 4.37Å; F65-P88 HydrophobicContact CD1-CG 4.41Å; F65-P88 HydrophobicContact CE1-CB 4.32Å; F65-P88 HydrophobicContact CE1-CG 3.88Å; F65-P88 HydrophobicContact CZ-CG 4.12Å; F65-W106 HydrophobicContact CE1-CB 3.92Å; F65-W106 HydrophobicContact CZ-CB 4.24Å |
| 66 | N | 98.5 | Very high | 97 | Very high | 37 Ų | 37 | 69 Ų | 69 | 20% | 0.198 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 25.3 | -175.8 | -65.2 | -66.1 | 0 | 0 | 0 | 114.1 | R74 R75 I80 Y81 | N66-R74 WeakPolarHBondContact CA-O 3.26Å; N66-R74 PolarHBondContact N-O 2.96Å; N66-R74 VanDerWaalsContact N-O 3.13Å; N66-R75 VanDerWaalsContact C-CG 3.48Å; N66-R75 WeakPolarHBondContact O-CG 3.46Å; N66-I80 HydrophobicContact CB-CD1 4.06Å; N66-I80 HydrophobicContact CB-CG2 4.49Å; N66-Y81 PolarHBondContact N-OH 2.95Å; N66-Y81 PolarHBondContact ND2-O 2.93Å; N66-Y81 WeakPolarHBondContact OD1-CD1 3.46Å; N66-Y81 WeakPolarHBondContact OD1-CE1 3.33Å; N66-Y81 PolarHBondContact OD1-N 3.31Å; N66-Y81 VanDerWaalsContact OD1-N 3.09Å |
| 67 | S | 98.3 | Very high | 96.9 | Very high | 37 Ų | 37 | 70 Ų | 70 | 26% | 0.259 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -145.3 | 169 | 178.1 | 79.1 | 0 | 0 | 0 | 0 | 112.2 | K64 F65 D69 R74 | K64-S67 WeakPolarHBondContact CB-OG 3.37Å; K64-S67 PolarHBondContact O-N 2.93Å; K64-S67 PolarHBondContact O-OG 2.82Å; F65-S67 PolarHBondContact O-N 3.47Å; S67-D69 PolarHBondContact O-N 2.82Å; S67-R74 WeakPolarHBondContact O-CA 3.21Å; S67-R74 WeakPolarHBondContact O-CB 3.24Å; S67-R74 PolarHBondContact O-N 3.2Å |
| 68 | L | 97.7 | Very high | 96.7 | Very high | 101 Ų | 101 | 68.4 Ų | 68.4 | 53% | 0.529 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 106 | 166.3 | -178.5 | 62.6 | 0 | 0 | 0 | 108.6 | G70 D73 | L68-G70 WeakPolarHBondContact CG-O 3.41Å; L68-D73 HydrophobicContact CD1-CB 4.03Å |
| 69 | D | 97.6 | Very high | 96.6 | Very high | 34 Ų | 34 | 66.8 Ų | 66.8 | 18% | 0.182 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 87.2 | -173.9 | -172.5 | 22.1 | 0 | 0 | 0 | 110.5 | P63 K64 S67 N71 V72 R74 | P63-D69 WeakPolarHBondContact CA-OD2 3.43Å; K64-D69 HydrophobicContact CB-CB 4.05Å; K64-D69 PolarHBondContact N-OD2 3.12Å; S67-D69 PolarHBondContact O-N 2.82Å; D69-N71 PolarHBondContact O-N 2.81Å; D69-V72 PolarHBondContact N-O 2.93Å; D69-V72 PolarHBondContact O-N 3.17Å; D69-V72 VanDerWaalsContact O-N 3.1Å; D69-R74 HydrophobicContact CB-CG 4.07Å; D69-R74 IonicContact OD2-CZ 2.89Å; D69-R74 IonicContact OD2-NE 2.61Å; D69-R74 PolarHBondContact OD2-NE 2.99Å; D69-R74 IonicContact OD2-NH2 3.03Å |
| 70 | G | 96.2 | Very high | 96.8 | Very high | 57 Ų | 57 | 67.1 Ų | 67.1 | 59% | 0.588 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | -119.1 | -166.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | L68 | L68-G70 WeakPolarHBondContact CG-O 3.41Š|
| 71 | N | 96.5 | Very high | 96.9 | Very high | 112 Ų | 112 | 63.2 Ų | 63.2 | 60% | 0.599 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -4.3 | 177.1 | -71.7 | -5.6 | 0 | 0 | 0 | 113.4 | D69 P160 G161 | D69-N71 PolarHBondContact O-N 2.81Å; N71-P160 HydrophobicContact CB-CB 3.87Å; N71-P160 CarbonylContact O-C 3.52Å; N71-P160 VanDerWaalsContact O-CA 3.31Å; N71-P160 WeakPolarHBondContact O-CA 3.32Å; N71-G161 PolarHBondContact O-N 2.88Å |
| 72 | V | 97.4 | Very high | 97 | Very high | 23 Ų | 23 | 68 Ų | 68 | 14% | 0.139 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 113.2 | -178.5 | -177.6 | 0 | 0 | 0 | 0 | 109 | D69 R74 K105 P160 | D69-V72 PolarHBondContact N-O 2.93Å; D69-V72 PolarHBondContact O-N 3.17Å; D69-V72 VanDerWaalsContact O-N 3.1Å; V72-R74 HydrophobicContact CG1-CG 4Å; V72-R74 PolarHBondContact O-N 2.91Å; V72-K105 HydrophobicContact CG1-CD 4.22Å; V72-P160 HydrophobicContact CG2-CB 4.21Å; V72-P160 HydrophobicContact CG2-CG 4.31Å |
| 73 | D | 97.8 | Very high | 97.1 | Very high | 41 Ų | 41 | 61 Ų | 61 | 22% | 0.219 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 112.1 | 170.8 | -162.1 | -9.7 | 0 | 0 | 0 | 109.2 | L68 R75 H110 | L68-D73 HydrophobicContact CD1-CB 4.03Å; D73-R75 VanDerWaalsContact OD1-CB 3.31Å; D73-R75 WeakPolarHBondContact OD1-CB 3.38Å; D73-R75 WeakPolarHBondContact OD1-CG 3.48Å; D73-R75 IonicContact OD1-CZ 3.77Å; D73-R75 PolarHBondContact OD1-N 3.34Å; D73-R75 IonicContact OD1-NE 3.38Å; D73-R75 PolarHBondContact OD1-NE 2.96Å; D73-R75 IonicContact OD1-NH2 3.83Å; D73-R75 IonicContact OD2-CZ 2.88Å; D73-R75 IonicContact OD2-NE 2.71Å; D73-R75 PolarHBondContact OD2-NE 3.26Å; D73-R75 IonicContact OD2-NH2 2.85Å; D73-R75 PolarHBondContact OD2-NH2 2.91Å; D73-H110 PolarHBondContact O-CD2 3.4Å; D73-H110 PolarHBondContact O-NE2 3.08Å |
| 74 | R | 98.3 | Very high | 97.1 | Very high | 8 Ų | 8 | 63.2 Ų | 63.2 | 3% | 0.03 | 35% | 0.349 | C | S | . | . | trans | -102.8 | 14.2 | 176.6 | -56.3 | -176.6 | 177.2 | -72.9 | -8.3 | 111.4 | D53 N66 S67 D69 V72 Y81 | D53-R74 IonicContact OD1-CZ 3.62Å; D53-R74 IonicContact OD1-NH1 2.84Å; D53-R74 IonicContact OD1-NH2 3.73Å; D53-R74 PolarHBondContact OD1-NH2 3.32Å; D53-R74 IonicContact OD2-CZ 3.86Å; D53-R74 IonicContact OD2-NH1 3.85Å; D53-R74 PolarHBondContact OD2-NH1 3.13Å; D53-R74 IonicContact OD2-NH2 2.97Å; D53-R74 PolarHBondContact OD2-NH2 2.99Å; N66-R74 WeakPolarHBondContact CA-O 3.26Å; N66-R74 PolarHBondContact N-O 2.96Å; N66-R74 VanDerWaalsContact N-O 3.13Å; S67-R74 WeakPolarHBondContact O-CA 3.21Å; S67-R74 WeakPolarHBondContact O-CB 3.24Å; S67-R74 PolarHBondContact O-N 3.2Å; D69-R74 HydrophobicContact CB-CG 4.07Å; D69-R74 IonicContact OD2-CZ 2.89Å; D69-R74 IonicContact OD2-NE 2.61Å; D69-R74 PolarHBondContact OD2-NE 2.99Å; D69-R74 IonicContact OD2-NH2 3.03Å; V72-R74 HydrophobicContact CG1-CG 4Å; V72-R74 PolarHBondContact O-N 2.91Å; R74-Y81 WeakPolarHBondContact O-CE1 3.46Å; R74-Y81 PolarHBondContact O-OH 2.84Å | ||
| 75 | R | 98.2 | Very high | 97 | Very high | 123 Ų | 123 | 64.3 Ų | 64.3 | 46% | 0.464 | 36% | 0.361 | S | S | . | . | trans | -85.7 | 134.3 | 175.2 | -64.1 | 169.8 | -63.3 | 175.1 | 5.4 | 109.6 | N66 D73 H110 | N66-R75 VanDerWaalsContact C-CG 3.48Å; N66-R75 WeakPolarHBondContact O-CG 3.46Å; D73-R75 VanDerWaalsContact OD1-CB 3.31Å; D73-R75 WeakPolarHBondContact OD1-CB 3.38Å; D73-R75 WeakPolarHBondContact OD1-CG 3.48Å; D73-R75 IonicContact OD1-CZ 3.77Å; D73-R75 PolarHBondContact OD1-N 3.34Å; D73-R75 IonicContact OD1-NE 3.38Å; D73-R75 PolarHBondContact OD1-NE 2.96Å; D73-R75 IonicContact OD1-NH2 3.83Å; D73-R75 IonicContact OD2-CZ 2.88Å; D73-R75 IonicContact OD2-NE 2.71Å; D73-R75 PolarHBondContact OD2-NE 3.26Å; D73-R75 IonicContact OD2-NH2 2.85Å; D73-R75 PolarHBondContact OD2-NH2 2.91Å; R75-H110 PolarHBondContact O-CE1 3.47Å; R75-H110 PolarHBondContact O-NE2 3.44Å | ||
| 76 | S | 97.9 | Very high | 96.9 | Very high | 13 Ų | 13 | 64.7 Ų | 64.7 | 9% | 0.091 | 38% | 0.375 | C | S | . | . | B | Isolated β-bridge | trans | -78.4 | 142 | 169.8 | 169.2 | 0 | 0 | 0 | 0 | 110.6 | A78 G79 E221 | S76-A78 PolarHBondContact O-N 2.94Å; S76-A78 WeakPolarHBondContact OG-CB 3.47Å; S76-A78 PolarHBondContact OG-N 2.93Å; S76-G79 VanDerWaalsContact CB-O 3.29Å; S76-G79 WeakPolarHBondContact CB-O 3.5Å; S76-G79 PolarHBondContact O-N 3.34Å; S76-E221 WeakPolarHBondContact CA-OE1 3.25Å; S76-E221 WeakPolarHBondContact CB-OE1 3.41Å; S76-E221 PolarHBondContact OG-OE1 3.46Å |
| 77 | R | 94.3 | Very high | 96.9 | Very high | 61 Ų | 61 | 66.1 Ų | 66.1 | 23% | 0.23 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -12.3 | 168.4 | -63.2 | 172.6 | -174.9 | -41.1 | 2.7 | 112 | R206 E221 V223 | R77-R206 HydrophobicContact CB-CG 4.2Å; R77-R206 HydrophobicContact CG-CG 4.08Å; R77-E221 VanDerWaalsContact CB-OE2 3.24Å; R77-E221 WeakPolarHBondContact CB-OE2 3.37Å; R77-E221 VanDerWaalsContact CG-OE2 3.28Å; R77-E221 WeakPolarHBondContact CG-OE2 3.21Å; R77-E221 PolarHBondContact N-OE2 2.96Å; R77-V223 VanDerWaalsContact CZ-CG2 3.41Å |
| 78 | A | 89.4 | Confident | 96.9 | Very high | 61 Ų | 61 | 64.3 Ų | 64.3 | 50% | 0.504 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 5.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S76 P91 | S76-A78 PolarHBondContact O-N 2.94Å; S76-A78 WeakPolarHBondContact OG-CB 3.47Å; S76-A78 PolarHBondContact OG-N 2.93Å; A78-P91 HydrophobicContact CB-CG 4.4Å |
| 79 | G | 93.9 | Very high | 96.9 | Very high | 38 Ų | 38 | 60.6 Ų | 60.6 | 39% | 0.392 | 35% | 0.345 | S | S | . | . | B | Isolated β-bridge | trans | 110.9 | -165.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | S76 Y81 | S76-G79 VanDerWaalsContact CB-O 3.29Å; S76-G79 WeakPolarHBondContact CB-O 3.5Å; S76-G79 PolarHBondContact O-N 3.34Å; G79-Y81 PolarHBondContact O-N 3.13Å |
| 80 | I | 98 | Very high | 97 | Very high | 145 Ų | 145 | 59 Ų | 59 | 74% | 0.744 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -77.9 | 120.5 | 177.9 | -57.7 | -65.4 | 0 | 0 | 0 | 108.5 | N66 | N66-I80 HydrophobicContact CB-CD1 4.06Å; N66-I80 HydrophobicContact CB-CG2 4.49Å |
| 81 | Y | 98 | Very high | 97 | Very high | 7 Ų | 7 | 58.8 Ų | 58.8 | 3% | 0.027 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -92.3 | 154.2 | 174.7 | 59.5 | -97.9 | 0 | 0 | 0 | 110.9 | F65 N66 R74 G79 V83 P88 P108 W219 | F65-Y81 WeakPolarHBondContact CA-OH 3.4Å; F65-Y81 HydrophobicContact CB-CE2 3.94Å; F65-Y81 VanDerWaalsContact CB-OH 3.29Å; F65-Y81 WeakPolarHBondContact CB-OH 3.49Å; F65-Y81 HydrophobicContact CD1-CE2 4.4Å; F65-Y81 WeakPolarHBondContact CD1-OH 3.41Å; F65-Y81 HydrophobicContact CG-CE2 4.31Å; N66-Y81 PolarHBondContact N-OH 2.95Å; N66-Y81 PolarHBondContact ND2-O 2.93Å; N66-Y81 WeakPolarHBondContact OD1-CD1 3.46Å; N66-Y81 WeakPolarHBondContact OD1-CE1 3.33Å; N66-Y81 PolarHBondContact OD1-N 3.31Å; N66-Y81 VanDerWaalsContact OD1-N 3.09Å; R74-Y81 WeakPolarHBondContact O-CE1 3.46Å; R74-Y81 PolarHBondContact O-OH 2.84Å; G79-Y81 PolarHBondContact O-N 3.13Å; Y81-V83 HydrophobicContact CD2-CG2 4.26Å; Y81-V83 HydrophobicContact CE2-CG2 3.92Å; Y81-P88 HydrophobicContact CD2-CB 3.85Å; Y81-P88 HydrophobicContact CE2-CB 3.45Å; Y81-P88 VanDerWaalsContact CE2-CB 3.45Å; Y81-P108 HydrophobicContact CE1-CG 4.15Å; Y81-W219 AromaticContact CD1-CH2 3.86Å; Y81-W219 HydrophobicContact CD1-CH2 3.86Å; Y81-W219 AromaticContact CD1-CZ2 3.67Å; Y81-W219 HydrophobicContact CD1-CZ2 3.67Å; Y81-W219 AromaticContact CD2-CH2 3.89Å; Y81-W219 HydrophobicContact CD2-CH2 3.89Å; Y81-W219 HydrophobicContact CE1-CH2 4.27Å; Y81-W219 HydrophobicContact CE1-CZ2 4.15Å; Y81-W219 HydrophobicContact CE2-CH2 4.34Å; Y81-W219 AromaticContact CG-CH2 3.63Å; Y81-W219 HydrophobicContact CG-CH2 3.63Å; Y81-W219 AromaticContact CG-CZ2 3.87Å; Y81-W219 HydrophobicContact CG-CZ2 3.87Å |
| 82 | E | 98.2 | Very high | 97 | Very high | 130 Ų | 130 | 54.7 Ų | 54.7 | 61% | 0.607 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -75.3 | 148.6 | 178 | -65.3 | -174.2 | 171.6 | 0 | 0 | 111.8 | I89 | E82-I89 HydrophobicContact CB-CB 4.37Å; E82-I89 PolarHBondContact O-N 3.27Å |
| 83 | V | 98.4 | Very high | 97 | Very high | 62 Ų | 62 | 53.6 Ų | 53.6 | 38% | 0.376 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 112.8 | 170.4 | 179.2 | 0 | 0 | 0 | 0 | 107.2 | F65 Y81 R87 | F65-V83 HydrophobicContact CB-CG2 3.76Å; F65-V83 HydrophobicContact CD2-CB 4.47Å; F65-V83 HydrophobicContact CD2-CG1 3.85Å; F65-V83 HydrophobicContact CD2-CG2 3.71Å; F65-V83 HydrophobicContact CE2-CG1 4.14Å; F65-V83 HydrophobicContact CG-CG2 3.94Å; Y81-V83 HydrophobicContact CD2-CG2 4.26Å; Y81-V83 HydrophobicContact CE2-CG2 3.92Å; V83-R87 CarbonylContact C-O 3.41Å; V83-R87 VanDerWaalsContact CA-O 3.28Å; V83-R87 WeakPolarHBondContact CA-O 3.43Å |
| 84 | V | 97.8 | Very high | 97 | Very high | 67 Ų | 67 | 52.5 Ų | 52.5 | 41% | 0.406 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 127.5 | -178.3 | 179.6 | 0 | 0 | 0 | 0 | 108 | G86 R87 I89 | V84-G86 PolarHBondContact O-N 3.09Å; V84-G86 VanDerWaalsContact O-N 3.14Å; V84-R87 PolarHBondContact N-O 2.8Å; V84-R87 WeakPolarHBondContact O-CB 3.41Å; V84-R87 PolarHBondContact O-N 3.29Å; V84-I89 HydrophobicContact CB-CD1 4.16Å; V84-I89 HydrophobicContact CB-CG1 3.99Å; V84-I89 HydrophobicContact CG2-CD1 4.42Å; V84-I89 HydrophobicContact CG2-CG1 3.77Å |
| 85 | D | 95.6 | Very high | 97 | Very high | 158 Ų | 158 | 52.1 Ų | 52.1 | 85% | 0.845 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 39.3 | -177.1 | -56.9 | -37.6 | 0 | 0 | 0 | 113.4 | R87 | D85-R87 VanDerWaalsContact C-N 3.26Å; D85-R87 PolarHBondContact O-N 3.04Å |
| 86 | G | 96.8 | Very high | 97 | Very high | 43 Ų | 43 | 46.3 Ų | 46.3 | 44% | 0.443 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 5.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | F65 V84 | F65-G86 WeakPolarHBondContact CE2-O 3.41Å; V84-G86 PolarHBondContact O-N 3.09Å; V84-G86 VanDerWaalsContact O-N 3.14Å |
| 87 | R | 98.4 | Very high | 97.1 | Very high | 67 Ų | 67 | 45.7 Ų | 45.7 | 25% | 0.253 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 131.9 | 179.3 | -61.6 | -176.8 | 169.1 | -139.6 | -2.8 | 111.2 | E40 L56 V83 V84 D85 | E40-R87 IonicContact OE1-CZ 2.75Å; E40-R87 IonicContact OE1-NH1 3.22Å; E40-R87 PolarHBondContact OE1-NH1 3.15Å; E40-R87 IonicContact OE1-NH2 3.25Å; E40-R87 PolarHBondContact OE1-NH2 3.18Å; E40-R87 IonicContact OE2-CZ 3.35Å; E40-R87 IonicContact OE2-NH1 3.46Å; E40-R87 PolarHBondContact OE2-NH1 3.2Å; E40-R87 IonicContact OE2-NH2 2.84Å; E40-R87 PolarHBondContact OE2-NH2 2.92Å; L56-R87 HydrophobicContact CD1-CB 4.4Å; L56-R87 HydrophobicContact CD1-CG 3.77Å; V83-R87 CarbonylContact C-O 3.41Å; V83-R87 VanDerWaalsContact CA-O 3.28Å; V83-R87 WeakPolarHBondContact CA-O 3.43Å; V84-R87 PolarHBondContact N-O 2.8Å; V84-R87 WeakPolarHBondContact O-CB 3.41Å; V84-R87 PolarHBondContact O-N 3.29Å; D85-R87 VanDerWaalsContact C-N 3.26Å; D85-R87 PolarHBondContact O-N 3.04Å |
| 88 | P | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 144.3 | 172.3 | 29.8 | -33.3 | 0 | 0 | 0 | 109.7 | F65 Y81 W106 G107 N217 W219 | F65-P88 HydrophobicContact CD1-CB 4.37Å; F65-P88 HydrophobicContact CD1-CG 4.41Å; F65-P88 HydrophobicContact CE1-CB 4.32Å; F65-P88 HydrophobicContact CE1-CG 3.88Å; F65-P88 HydrophobicContact CZ-CG 4.12Å; Y81-P88 HydrophobicContact CD2-CB 3.85Å; Y81-P88 HydrophobicContact CE2-CB 3.45Å; Y81-P88 VanDerWaalsContact CE2-CB 3.45Å; P88-W106 HydrophobicContact CG-CB 4.02Å; P88-G107 VanDerWaalsContact CG-N 3.28Å; P88-N217 WeakPolarHBondContact CG-O 3.27Å; P88-N217 VanDerWaalsContact O-CA 3.28Å; P88-N217 WeakPolarHBondContact O-CA 3.38Å; P88-N217 PolarHBondContact O-ND2 3.32Å; P88-W219 HydrophobicContact CB-CH2 4.21Å; P88-W219 HydrophobicContact CB-CZ3 4.24Å |
| 89 | I | 98.4 | Very high | 97.7 | Very high | 22 Ų | 22 | 41 Ų | 41 | 11% | 0.113 | 24% | 0.235 | C | C | . | . | trans | -111.9 | 129.7 | -178.2 | -59 | -56.7 | 0 | 0 | 0 | 109.8 | W29 E82 V84 D216 W219 | W29-I89 HydrophobicContact CD2-CG2 3.94Å; W29-I89 HydrophobicContact CG-CG2 4.19Å; W29-I89 HydrophobicContact CZ2-CG2 3.74Å; E82-I89 HydrophobicContact CB-CB 4.37Å; E82-I89 PolarHBondContact O-N 3.27Å; V84-I89 HydrophobicContact CB-CD1 4.16Å; V84-I89 HydrophobicContact CB-CG1 3.99Å; V84-I89 HydrophobicContact CG2-CD1 4.42Å; V84-I89 HydrophobicContact CG2-CG1 3.77Å; I89-D216 CarbonylContact C-O 3.56Å; I89-D216 WeakPolarHBondContact CA-O 3.24Å; I89-W219 WeakPolarHBondContact O-CH2 3.49Å | ||
| 90 | N | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -56.4 | 118.4 | -179.9 | -177 | -35.1 | 0 | 0 | 0 | 110.8 | W29 V92 G93 T95 Y208 T215 D216 W219 | W29-N90 PolarHBondContact NE1-O 2.76Å; N90-V92 PolarHBondContact O-N 3.11Å; N90-V92 VanDerWaalsContact O-N 3.13Å; N90-V92 PolarHBondContact OD1-N 3.18Å; N90-V92 VanDerWaalsContact OD1-N 3.13Å; N90-G93 PolarHBondContact O-N 3.45Å; N90-G93 VanDerWaalsContact O-N 3.16Å; N90-T95 WeakPolarHBondContact ND2-CG2 3.25Å; N90-Y208 VanDerWaalsContact CG-OH 3.32Å; N90-Y208 PolarHBondContact ND2-OH 2.78Å; N90-Y208 VanDerWaalsContact OD1-CE2 3.26Å; N90-Y208 WeakPolarHBondContact OD1-CE2 3.45Å; N90-Y208 PolarHBondContact OD1-OH 3Å; N90-T215 WeakPolarHBondContact CB-O 3.49Å; N90-T215 PolarHBondContact ND2-O 3.19Å; N90-D216 PolarHBondContact N-O 3.28Å; N90-W219 HydrophobicContact CB-CE3 3.98Å; N90-W219 HydrophobicContact CB-CZ3 4.41Å | ||
| 91 | P | 97.3 | Very high | 97.9 | Very high | 53 Ų | 53 | 32.5 Ų | 32.5 | 34% | 0.344 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -17.8 | -169.5 | 26.7 | -35.5 | 0 | 0 | 0 | 113.6 | A78 Y208 W219 | A78-P91 HydrophobicContact CB-CG 4.4Å; P91-Y208 HydrophobicContact CG-CD2 4.18Å; P91-Y208 HydrophobicContact CG-CE2 4.35Å; P91-W219 VanDerWaalsContact CD-CZ2 3.47Å; P91-W219 HydrophobicContact CG-CZ2 4.08Å |
| 92 | V | 96.4 | Very high | 97.8 | Very high | 26 Ų | 26 | 37.4 Ų | 37.4 | 16% | 0.158 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -25 | 178.9 | 175.5 | 0 | 0 | 0 | 0 | 112.3 | M2 N4 N90 Y208 | M2-V92 HydrophobicContact CG-CG1 4.2Å; M2-V92 HydrophobicContact CG-CG2 4.32Å; M2-V92 HydrophobicContact SD-CG2 4.06Å; N4-V92 HydrophobicContact CB-CG1 4.35Å; N4-V92 WeakPolarHBondContact OD1-CG1 3.4Å; N90-V92 PolarHBondContact O-N 3.11Å; N90-V92 VanDerWaalsContact O-N 3.13Å; N90-V92 PolarHBondContact OD1-N 3.18Å; N90-V92 VanDerWaalsContact OD1-N 3.13Å; V92-Y208 HydrophobicContact CB-CE1 4.1Å; V92-Y208 HydrophobicContact CB-CE2 4.12Å; V92-Y208 HydrophobicContact CG1-CE1 4.47Å; V92-Y208 HydrophobicContact CG2-CD1 3.61Å; V92-Y208 HydrophobicContact CG2-CD2 3.61Å; V92-Y208 HydrophobicContact CG2-CE1 3.65Å; V92-Y208 HydrophobicContact CG2-CE2 3.63Å; V92-Y208 HydrophobicContact CG2-CG 3.58Å |
| 93 | G | 97.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | 134.6 | -172.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | N4 V27 W29 N90 | N4-G93 PolarHBondContact ND2-O 3.13Å; V27-G93 CarbonylContact O-C 3.42Å; V27-G93 WeakPolarHBondContact O-CA 3.4Å; W29-G93 VanDerWaalsContact NE1-CA 3.29Å; N90-G93 PolarHBondContact O-N 3.45Å; N90-G93 VanDerWaalsContact O-N 3.16Å | ||
| 94 | R | 98.1 | Very high | 97.8 | Very high | 19 Ų | 19 | 29 Ų | 29 | 7% | 0.072 | 16% | 0.158 | C | C | . | . | trans | -56.6 | 140.7 | 176 | -67.5 | 179.4 | -173.2 | 89.2 | 4.7 | 111.6 | R8 V22 K26 V27 S28 W29 V31 Y36 | R8-R94 WeakPolarHBondContact CD-O 3.36Å; V22-R94 HydrophobicContact CG1-CB 3.92Å; V22-R94 HydrophobicContact CG2-CB 4.09Å; K26-R94 WeakPolarHBondContact O-CD 3.37Å; K26-R94 PolarHBondContact O-NH1 2.97Å; V27-R94 PolarHBondContact O-N 2.71Å; S28-R94 PolarHBondContact O-NH1 2.97Å; W29-R94 HydrophobicContact CD2-CG 4.14Å; W29-R94 HydrophobicContact CE3-CG 3.64Å; W29-R94 HydrophobicContact CH2-CB 4.28Å; W29-R94 HydrophobicContact CH2-CG 3.48Å; W29-R94 VanDerWaalsContact CH2-CG 3.48Å; W29-R94 HydrophobicContact CZ2-CB 4.49Å; W29-R94 HydrophobicContact CZ2-CG 3.97Å; W29-R94 HydrophobicContact CZ3-CG 3.3Å; V31-R94 PolarHBondContact O-NH1 3.23Å; V31-R94 VanDerWaalsContact O-NH1 3.08Å; V31-R94 PolarHBondContact O-NH2 3Å; Y36-R94 HydrophobicContact CD1-CG 4.21Å; Y36-R94 HydrophobicContact CE1-CB 4.3Å; Y36-R94 HydrophobicContact CE1-CG 3.74Å; Y36-R94 HydrophobicContact CE2-CB 4.14Å; Y36-R94 HydrophobicContact CE2-CG 4.25Å | ||
| 95 | T | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -117.7 | -12.6 | 178.7 | 70.3 | 0 | 0 | 0 | 0 | 112.7 | C7 R19 N90 L97 T215 D216 | C7-T95 VanDerWaalsContact O-O 3.07Å; R19-T95 PolarHBondContact NH1-O 3.28Å; R19-T95 PolarHBondContact NH1-OG1 3.1Å; N90-T95 WeakPolarHBondContact ND2-CG2 3.25Å; T95-L97 PolarHBondContact OG1-N 3.22Å; T95-L97 PolarHBondContact OG1-O 3.44Å; T95-T215 VanDerWaalsContact CG2-C 3.46Å; T95-T215 WeakPolarHBondContact CG2-O 3.24Å; T95-T215 VanDerWaalsContact OG1-CA 3.26Å; T95-T215 WeakPolarHBondContact OG1-CA 3.28Å; T95-D216 WeakPolarHBondContact CB-OD1 3.46Å; T95-D216 PolarHBondContact N-OD1 2.97Å; T95-D216 PolarHBondContact OG1-N 2.82Å; T95-D216 VanDerWaalsContact OG1-N 3.13Å; T95-D216 PolarHBondContact OG1-OD1 3.05Å | ||
| 96 | G | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.106 | C | C | . | . | S | Bend | trans | 81.9 | 13.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | R19 F20 Y36 P38 | R19-G96 CarbonylContact C-O 3.57Å; R19-G96 VanDerWaalsContact CA-O 3.28Å; R19-G96 WeakPolarHBondContact CA-O 3.42Å; F20-G96 PolarHBondContact N-O 2.73Å; F20-G96 WeakPolarHBondContact O-CA 3.49Å; Y36-G96 VanDerWaalsContact OH-CA 3.28Å; Y36-G96 WeakPolarHBondContact OH-CA 3.17Å; Y36-G96 PolarHBondContact OH-N 2.93Å; P38-G96 VanDerWaalsContact CB-C 3.49Å |
| 97 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -149.1 | 130.6 | 178 | -168.2 | 69.8 | 0 | 0 | 0 | 110.4 | Y12 I17 R19 P39 T95 T215 D216 | Y12-L97 HydrophobicContact CD1-CD2 3.79Å; Y12-L97 HydrophobicContact CD2-CD2 3.66Å; Y12-L97 HydrophobicContact CE1-CD2 4.06Å; Y12-L97 HydrophobicContact CE2-CD2 3.91Å; Y12-L97 HydrophobicContact CG-CD2 3.57Å; I17-L97 HydrophobicContact CG2-CD1 3.72Å; R19-L97 HydrophobicContact CG-CB 4.28Å; R19-L97 VanDerWaalsContact NH1-CB 3.3Å; P39-L97 HydrophobicContact CB-CD1 4.47Å; P39-L97 HydrophobicContact CG-CD1 3.92Å; P39-L97 WeakPolarHBondContact O-CD1 3.44Å; T95-L97 PolarHBondContact OG1-N 3.22Å; T95-L97 PolarHBondContact OG1-O 3.44Å; L97-T215 HydrophobicContact CB-CG2 4.49Å; L97-T215 HydrophobicContact CD2-CG2 3.86Å; L97-T215 HydrophobicContact CG-CG2 4.28Å; L97-T215 WeakPolarHBondContact O-CB 3.41Å; L97-D216 WeakPolarHBondContact O-CB 3.47Å; L97-D216 VanDerWaalsContact O-CG 3.3Å; L97-D216 PolarHBondContact O-N 2.82Å | ||
| 98 | T | 98.5 | Very high | 98.1 | Very high | 25 Ų | 25 | 14.9 Ų | 14.9 | 15% | 0.153 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 170.5 | 173.7 | 53.7 | 0 | 0 | 0 | 0 | 111.7 | P38 P39 E40 Y41 D216 | P38-T98 HydrophobicContact CB-CG2 4.18Å; P38-T98 HydrophobicContact CG-CG2 3.43Å; P38-T98 VanDerWaalsContact CG-CG2 3.43Å; P39-T98 PolarHBondContact O-N 2.87Å; P39-T98 PolarHBondContact O-OG1 2.92Å; E40-T98 VanDerWaalsContact CA-OG1 3.25Å; E40-T98 WeakPolarHBondContact CA-OG1 3.18Å; E40-T98 WeakPolarHBondContact CB-OG1 3.26Å; Y41-T98 PolarHBondContact N-O 2.87Å; T98-D216 HydrophobicContact CG2-CB 4.06Å |
| 99 | G | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 81.9 | -169.5 | -170 | 0 | 0 | 0 | 0 | 0 | 111.6 | T215 N217 | G99-T215 VanDerWaalsContact O-CB 3.27Å; G99-T215 WeakPolarHBondContact O-CB 3.41Å; G99-T215 PolarHBondContact O-OG1 2.91Å; G99-N217 PolarHBondContact N-OD1 3.16Å |
| 100 | R | 97.8 | Very high | 98 | Very high | 4 Ų | 4 | 14.9 Ų | 14.9 | 2% | 0.015 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -11 | -179.8 | -68.5 | 179.7 | -77.4 | 173.1 | -11.4 | 114.2 | Y41 N42 L46 D53 R102 L103 G104 W106 A218 | Y41-R100 PolarHBondContact O-N 3.13Å; N42-R100 WeakPolarHBondContact OD1-CB 3.39Å; N42-R100 PolarHBondContact OD1-N 2.75Å; L46-R100 HydrophobicContact CD1-CB 3.92Å; D53-R100 VanDerWaalsContact O-CZ 3.3Å; D53-R100 PolarHBondContact O-NH1 2.95Å; D53-R100 PolarHBondContact O-NH2 2.78Å; D53-R100 VanDerWaalsContact O-NH2 3.11Å; R100-R102 PolarHBondContact O-N 3.28Å; R100-R102 VanDerWaalsContact O-N 3.09Å; R100-L103 WeakPolarHBondContact CB-O 3.47Å; R100-L103 PolarHBondContact O-N 2.87Å; R100-G104 PolarHBondContact NH1-O 2.79Å; R100-W106 VanDerWaalsContact CD-CE2 3.49Å; R100-W106 HydrophobicContact CG-CD2 3.47Å; R100-W106 VanDerWaalsContact CG-CD2 3.47Å; R100-W106 HydrophobicContact CG-CE3 3.57Å; R100-W106 HydrophobicContact CG-CG 4Å; R100-W106 HydrophobicContact CG-CH2 4.1Å; R100-W106 HydrophobicContact CG-CZ2 4Å; R100-W106 HydrophobicContact CG-CZ3 3.9Å; R100-W106 VanDerWaalsContact NE-CE2 3.3Å; R100-A218 HydrophobicContact CB-CB 4.17Å; R100-A218 HydrophobicContact CG-CB 4.21Å |
| 101 | G | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 59.1 | -114.3 | -168 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y12 Y41 N42 A43 L46 | Y12-G101 WeakPolarHBondContact OH-CA 3.1Å; Y41-G101 WeakPolarHBondContact O-CA 3.32Å; Y41-G101 PolarHBondContact O-N 3.44Å; N42-G101 CarbonylContact C-O 3.46Å; N42-G101 WeakPolarHBondContact CA-O 3.47Å; A43-G101 WeakPolarHBondContact CB-O 3.42Å; A43-G101 PolarHBondContact N-O 3.48Å; L46-G101 WeakPolarHBondContact CD1-O 3.34Å |
| 102 | R | 96.9 | Very high | 98.1 | Very high | 110 Ų | 110 | 12.8 Ų | 12.8 | 42% | 0.415 | 6% | 0.061 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -1.4 | 176.4 | -70.7 | 175.3 | 65.8 | -153.6 | -1.6 | 114.2 | Y12 Y41 A43 R100 | Y12-R102 HydrophobicContact CE1-CG 4.04Å; Y12-R102 PolarHBondContact OH-N 3.05Å; Y41-R102 HydrophobicContact CE1-CG 4.36Å; A43-R102 HydrophobicContact CB-CB 4.44Å; A43-R102 HydrophobicContact CB-CG 3.76Å; R100-R102 PolarHBondContact O-N 3.28Å; R100-R102 VanDerWaalsContact O-N 3.09Å |
| 103 | L | 98.2 | Very high | 98.1 | Very high | 7 Ų | 7 | 12.1 Ų | 12.1 | 4% | 0.037 | 6% | 0.056 | C | C | . | . | trans | -77.2 | 144.3 | -178.4 | -65.4 | 179.1 | 0 | 0 | 0 | 111 | L46 R100 N109 R213 A218 M220 | L46-L103 WeakPolarHBondContact CD1-O 3.46Å; L46-L103 WeakPolarHBondContact CD2-O 3.3Å; R100-L103 WeakPolarHBondContact CB-O 3.47Å; R100-L103 PolarHBondContact O-N 2.87Å; L103-N109 HydrophobicContact CD1-CB 4.44Å; L103-N109 HydrophobicContact CD2-CB 4.45Å; L103-R213 HydrophobicContact CD1-CB 4.47Å; L103-R213 HydrophobicContact CD2-CB 4.04Å; L103-R213 HydrophobicContact CG-CB 4.23Å; L103-A218 HydrophobicContact CB-CB 3.97Å; L103-A218 HydrophobicContact CD1-CB 3.91Å; L103-M220 HydrophobicContact CD1-CG 4.42Å; L103-M220 HydrophobicContact CD1-SD 4.3Å; L103-M220 HydrophobicContact CD2-CG 4.29Å; L103-M220 HydrophobicContact CD2-SD 3.46Å; L103-M220 WeakPolarHBondContact CD2-SD 3.35Å | ||
| 104 | G | 97.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 12.1 Ų | 12.1 | 7% | 0.072 | 6% | 0.056 | C | C | . | . | S | Bend | trans | -70.9 | -38.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | W51 D53 R100 N109 | W51-G104 VanDerWaalsContact CZ3-CA 3.41Å; D53-G104 PolarHBondContact N-O 3.35Å; R100-G104 PolarHBondContact NH1-O 2.79Å; G104-N109 PolarHBondContact N-OD1 3.15Å |
| 105 | K | 98.4 | Very high | 98.1 | Very high | 35 Ų | 35 | 11.2 Ų | 11.2 | 15% | 0.152 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -102.6 | 145.1 | -171.1 | -51 | -53.2 | -174.3 | -174.5 | 0 | 111.8 | W51 D53 V72 N109 A218 | W51-K105 VanDerWaalsContact O-CE 3.31Å; W51-K105 WeakPolarHBondContact O-CE 3.31Å; W51-K105 PolarHBondContact O-NZ 2.87Å; D53-K105 WeakPolarHBondContact OD1-CD 3.19Å; D53-K105 IonicContact OD1-NZ 3.79Å; D53-K105 WeakPolarHBondContact OD2-CA 3.19Å; V72-K105 HydrophobicContact CG1-CD 4.22Å; K105-N109 PolarHBondContact N-OD1 3.5Å; K105-N109 PolarHBondContact O-ND2 3.36Å; K105-A218 WeakPolarHBondContact O-CB 3.38Å |
| 106 | W | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 11.2 Ų | 11.2 | 0% | 0.004 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -73.4 | 125.6 | 162.1 | -68 | 99.2 | 0 | 0 | 0 | 108.9 | D53 P54 L56 F61 F65 P88 R100 N217 | D53-W106 PolarHBondContact OD2-N 3Å; P54-W106 PolarHBondContact O-NE1 3.14Å; L56-W106 HydrophobicContact CB-CZ2 4.44Å; L56-W106 HydrophobicContact CD1-CD2 3.55Å; L56-W106 HydrophobicContact CD1-CE3 3.6Å; L56-W106 HydrophobicContact CD1-CG 4.12Å; L56-W106 HydrophobicContact CD1-CH2 4.03Å; L56-W106 HydrophobicContact CD1-CZ2 3.99Å; L56-W106 HydrophobicContact CD1-CZ3 3.84Å; L56-W106 HydrophobicContact CD2-CD2 4.43Å; L56-W106 HydrophobicContact CD2-CG 4.23Å; L56-W106 HydrophobicContact CG-CD2 3.76Å; L56-W106 HydrophobicContact CG-CE3 4.32Å; L56-W106 HydrophobicContact CG-CG 4.06Å; L56-W106 HydrophobicContact CG-CH2 4.45Å; L56-W106 HydrophobicContact CG-CZ2 3.92Å; F61-W106 AromaticContact CE1-CD1 3.74Å; F65-W106 HydrophobicContact CE1-CB 3.92Å; F65-W106 HydrophobicContact CZ-CB 4.24Å; P88-W106 HydrophobicContact CG-CB 4.02Å; R100-W106 VanDerWaalsContact CD-CE2 3.49Å; R100-W106 HydrophobicContact CG-CD2 3.47Å; R100-W106 VanDerWaalsContact CG-CD2 3.47Å; R100-W106 HydrophobicContact CG-CE3 3.57Å; R100-W106 HydrophobicContact CG-CG 4Å; R100-W106 HydrophobicContact CG-CH2 4.1Å; R100-W106 HydrophobicContact CG-CZ2 4Å; R100-W106 HydrophobicContact CG-CZ3 3.9Å; R100-W106 VanDerWaalsContact NE-CE2 3.3Å; W106-N217 HydrophobicContact CE3-CB 3.93Å; W106-N217 HydrophobicContact CZ3-CB 3.83Å |
| 107 | G | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 89.7 | -140 | -176 | 0 | 0 | 0 | 0 | 0 | 112.9 | P88 N109 N217 A218 W219 | P88-G107 VanDerWaalsContact CG-N 3.28Å; G107-N109 PolarHBondContact O-ND2 3.05Å; G107-N109 VanDerWaalsContact O-ND2 3.1Å; G107-N217 PolarHBondContact N-O 2.97Å; G107-A218 VanDerWaalsContact O-CA 3.27Å; G107-A218 WeakPolarHBondContact O-CA 3.26Å; G107-W219 PolarHBondContact O-N 3.29Å |
| 108 | P | 98.6 | Very high | 97.8 | Very high | 4 Ų | 4 | 14 Ų | 14 | 3% | 0.026 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 136.5 | -177.7 | 29.5 | -34.3 | 0 | 0 | 0 | 111.5 | Y81 W219 E221 | Y81-P108 HydrophobicContact CE1-CG 4.15Å; P108-W219 CarbonylContact C-O 3.35Å; P108-W219 HydrophobicContact CB-CZ2 4.23Å; P108-W219 HydrophobicContact CG-CZ2 4.4Å; P108-E221 HydrophobicContact CB-CG 4.23Å |
| 109 | N | 98.7 | Very high | 97.7 | Very high | 4 Ų | 4 | 14 Ų | 14 | 2% | 0.021 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 107.5 | 171.3 | -74.7 | -107 | 0 | 0 | 0 | 106.8 | L103 G104 K105 G107 M157 W219 M220 E221 | L103-N109 HydrophobicContact CD1-CB 4.44Å; L103-N109 HydrophobicContact CD2-CB 4.45Å; G104-N109 PolarHBondContact N-OD1 3.15Å; K105-N109 PolarHBondContact N-OD1 3.5Å; K105-N109 PolarHBondContact O-ND2 3.36Å; G107-N109 PolarHBondContact O-ND2 3.05Å; G107-N109 VanDerWaalsContact O-ND2 3.1Å; N109-M157 HydrophobicContact CB-CE 3.81Å; N109-W219 WeakPolarHBondContact CB-O 3.27Å; N109-W219 PolarHBondContact N-O 2.8Å; N109-M220 HydrophobicContact CB-SD 3.95Å; N109-E221 PolarHBondContact O-N 2.56Å |
| 110 | H | 98.2 | Very high | 97.6 | Very high | 18 Ų | 18 | 15.6 Ų | 15.6 | 8% | 0.083 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 132 | -171.6 | -61.3 | -55 | 0 | 0 | 0 | 112.4 | D73 R75 M157 I158 E221 | D73-H110 PolarHBondContact O-CD2 3.4Å; D73-H110 PolarHBondContact O-NE2 3.08Å; R75-H110 PolarHBondContact O-CE1 3.47Å; R75-H110 PolarHBondContact O-NE2 3.44Å; H110-M157 WeakPolarHBondContact O-CE 3.43Å; H110-I158 HydrophobicContact CB-CD1 4.05Å; H110-I158 PolarHBondContact O-N 2.79Å; H110-E221 CarbonylContact C-O 3.56Å; H110-E221 WeakPolarHBondContact CA-O 3.25Å; H110-E221 IonicContact CE1-OE2 3.03Å; H110-E221 PolarHBondContact CE1-OE2 2.78Å; H110-E221 VanDerWaalsContact CE1-OE2 3.28Å; H110-E221 IonicContact ND1-OE2 2.9Å |
| 111 | A | 97.9 | Very high | 97.5 | Very high | 8 Ų | 8 | 19.6 Ų | 19.6 | 7% | 0.066 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 175.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | G156 M157 M220 E221 T222 V223 | A111-G156 CarbonylContact C-O 3.17Å; A111-G156 WeakPolarHBondContact CA-O 3.41Å; A111-G156 WeakPolarHBondContact CB-O 3.28Å; A111-M157 HydrophobicContact CB-SD 4.3Å; A111-M220 HydrophobicContact CB-CE 3.75Å; A111-E221 PolarHBondContact N-O 3.29Å; A111-T222 WeakPolarHBondContact O-CA 3.35Å; A111-V223 PolarHBondContact O-N 3.1Å; A111-V223 VanDerWaalsContact O-N 3.13Å |
| 112 | V | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 146.3 | 167.9 | -69.1 | 0 | 0 | 0 | 0 | 109.8 | I114 G155 G156 I158 V164 A167 Q168 E171 V223 | V112-I114 HydrophobicContact CB-CD1 4.5Å; V112-I114 HydrophobicContact CG2-CD1 3.96Å; V112-G155 CarbonylContact O-C 3.56Å; V112-G155 WeakPolarHBondContact O-CA 3.5Å; V112-G156 PolarHBondContact N-O 3.07Å; V112-G156 PolarHBondContact O-N 2.82Å; V112-G156 VanDerWaalsContact O-N 3.08Å; V112-I158 HydrophobicContact CG1-CD1 3.76Å; V112-I158 HydrophobicContact CG1-CG1 3.75Å; V112-V164 HydrophobicContact CG1-CG1 4.02Å; V112-A167 HydrophobicContact CG1-CB 4.06Å; V112-A167 HydrophobicContact CG2-CB 3.94Å; V112-Q168 HydrophobicContact CB-CG 3.83Å; V112-Q168 HydrophobicContact CG1-CG 3.9Å; V112-Q168 HydrophobicContact CG2-CG 4.15Å; V112-E171 HydrophobicContact CG2-CB 4.43Å; V112-E171 HydrophobicContact CG2-CG 4.14Å; V112-V223 WeakPolarHBondContact CA-O 3.48Å |
| 113 | D | 97.9 | Very high | 96.9 | Very high | 13 Ų | 13 | 26.4 Ų | 26.4 | 7% | 0.07 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 129.2 | 169.3 | -70 | -68.2 | 0 | 0 | 0 | 108.9 | I153 T222 V223 A224 S225 H264 | D113-I153 HydrophobicContact CB-CB 4.36Å; D113-I153 HydrophobicContact CB-CG2 3.9Å; D113-T222 PolarHBondContact N-OG1 3.02Å; D113-T222 WeakPolarHBondContact OD2-CB 3.44Å; D113-T222 VanDerWaalsContact OD2-CG2 3.26Å; D113-T222 WeakPolarHBondContact OD2-CG2 3.47Å; D113-T222 PolarHBondContact OD2-OG1 2.75Å; D113-V223 PolarHBondContact N-O 2.97Å; D113-A224 HydrophobicContact CB-CB 3.91Å; D113-A224 VanDerWaalsContact O-CA 3.26Å; D113-A224 WeakPolarHBondContact O-CA 3.39Å; D113-S225 PolarHBondContact O-N 2.65Å; D113-H264 IonicContact OD1-CE1 3.8Å; D113-H264 IonicContact OD1-NE2 3.57Å |
| 114 | I | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 103.1 | -173 | -58.6 | 95.9 | 0 | 0 | 0 | 109.2 | V112 V116 I153 P154 Q168 E171 F172 F198 F227 | V112-I114 HydrophobicContact CB-CD1 4.5Å; V112-I114 HydrophobicContact CG2-CD1 3.96Å; I114-V116 HydrophobicContact CG2-CG2 4.11Å; I114-V116 PolarHBondContact O-N 3.3Å; I114-I153 WeakPolarHBondContact O-CG2 3.25Å; I114-P154 WeakPolarHBondContact CD1-O 3.43Å; I114-P154 PolarHBondContact N-O 3.35Å; I114-Q168 HydrophobicContact CG1-CB 4Å; I114-Q168 HydrophobicContact CG1-CG 4Å; I114-E171 HydrophobicContact CD1-CB 4.08Å; I114-F172 HydrophobicContact CB-CD2 4.1Å; I114-F172 HydrophobicContact CG1-CB 4.39Å; I114-F172 HydrophobicContact CG2-CB 4.19Å; I114-F172 HydrophobicContact CG2-CD2 3.55Å; I114-F172 HydrophobicContact CG2-CE2 4.23Å; I114-F172 HydrophobicContact CG2-CG 4.09Å; I114-F198 HydrophobicContact CG2-CE1 3.8Å; I114-F198 HydrophobicContact CG2-CZ 3.69Å; I114-F227 HydrophobicContact CG2-CD2 3.82Å; I114-F227 HydrophobicContact CG2-CE2 3.87Å |
| 115 | L | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 90.7 | 175.7 | -66.7 | 162.4 | 0 | 0 | 0 | 109.3 | F140 I153 V204 A224 S225 N226 F227 I267 L268 L271 | L115-F140 HydrophobicContact CD2-CD2 4.3Å; L115-I153 HydrophobicContact CD2-CB 4.44Å; L115-I153 HydrophobicContact CD2-CD1 3.67Å; L115-I153 HydrophobicContact CD2-CG1 3.78Å; L115-I153 HydrophobicContact CD2-CG2 3.76Å; L115-I153 HydrophobicContact CG-CD1 4.41Å; L115-I153 HydrophobicContact CG-CG2 4.06Å; L115-V204 HydrophobicContact CD1-CB 4.06Å; L115-V204 HydrophobicContact CD1-CG1 4.14Å; L115-V204 HydrophobicContact CD1-CG2 3.8Å; L115-A224 HydrophobicContact CD1-CB 4.45Å; L115-S225 WeakPolarHBondContact CB-O 3.43Å; L115-S225 PolarHBondContact N-O 2.78Å; L115-N226 HydrophobicContact CB-CB 4.07Å; L115-N226 HydrophobicContact CD1-CB 4.49Å; L115-N226 CarbonylContact O-C 3.46Å; L115-N226 VanDerWaalsContact O-CA 3.25Å; L115-N226 WeakPolarHBondContact O-CA 3.22Å; L115-N226 PolarHBondContact O-ND2 3.42Å; L115-F227 PolarHBondContact O-N 2.85Å; L115-I267 HydrophobicContact CD1-CG2 3.81Å; L115-L268 HydrophobicContact CD2-CD2 3.67Å; L115-L271 HydrophobicContact CB-CD2 4.42Å; L115-L271 HydrophobicContact CD1-CB 4.32Å; L115-L271 HydrophobicContact CD1-CD1 4.41Å; L115-L271 HydrophobicContact CD1-CD2 4.28Å; L115-L271 HydrophobicContact CD2-CD2 4.08Å |
| 116 | V | 96.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 120.2 | 163 | 178.5 | 0 | 0 | 0 | 0 | 107.9 | I114 F140 L141 F172 F198 F227 L235 W251 | I114-V116 HydrophobicContact CG2-CG2 4.11Å; I114-V116 PolarHBondContact O-N 3.3Å; V116-F140 CarbonylContact O-C 3.53Å; V116-F140 VanDerWaalsContact O-CA 3.23Å; V116-F140 WeakPolarHBondContact O-CA 3.36Å; V116-L141 HydrophobicContact CB-CB 4.26Å; V116-L141 PolarHBondContact O-N 2.88Å; V116-F172 HydrophobicContact CB-CE2 4.19Å; V116-F172 HydrophobicContact CB-CZ 4.31Å; V116-F172 HydrophobicContact CG2-CD2 4.16Å; V116-F172 HydrophobicContact CG2-CE1 4.36Å; V116-F172 HydrophobicContact CG2-CE2 3.39Å; V116-F172 HydrophobicContact CG2-CZ 3.52Å; V116-F198 HydrophobicContact CG2-CE2 4.33Å; V116-F198 HydrophobicContact CG2-CZ 4.29Å; V116-F227 WeakPolarHBondContact CA-O 3.21Å; V116-F227 HydrophobicContact CG2-CB 4.47Å; V116-L235 HydrophobicContact CG1-CB 3.88Å; V116-L235 HydrophobicContact CG1-CD1 3.76Å; V116-L235 HydrophobicContact CG1-CG 4.48Å; V116-L235 HydrophobicContact CG2-CD1 4.02Å; V116-W251 HydrophobicContact CG1-CH2 3.86Å |
| 117 | S | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 156.6 | -176.9 | 69.3 | 0 | 0 | 0 | 0 | 112.7 | Q139 N226 F227 H228 D229 | S117-Q139 CarbonylContact C-O 3.58Å; S117-Q139 WeakPolarHBondContact CA-O 3.44Å; S117-Q139 WeakPolarHBondContact CB-O 3.4Å; S117-N226 PolarHBondContact OG-ND2 2.89Å; S117-F227 PolarHBondContact N-O 3.07Å; S117-H228 PolarHBondContact O-ND1 3.05Å; S117-H228 PolarHBondContact OG-ND1 2.92Å; S117-D229 PolarHBondContact O-N 3.22Å |
| 118 | R | 96 | Very high | 96 | Very high | 59 Ų | 59 | 43.2 Ų | 43.2 | 22% | 0.223 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 158.2 | 175.1 | 71.3 | -176.7 | -173.5 | 176.6 | 2.7 | 110 | L138 Q139 D229 G236 W251 | R118-L138 WeakPolarHBondContact O-CD1 2.88Å; R118-Q139 HydrophobicContact CG-CB 4.13Å; R118-Q139 VanDerWaalsContact CZ-OE1 3.32Å; R118-Q139 PolarHBondContact N-O 2.85Å; R118-Q139 PolarHBondContact O-N 3.4Å; R118-D229 HydrophobicContact CB-CB 4.48Å; R118-G236 PolarHBondContact NH1-O 3Å; R118-W251 HydrophobicContact CB-CH2 4.18Å; R118-W251 HydrophobicContact CB-CZ3 4.16Å; R118-W251 HydrophobicContact CG-CD2 4.39Å; R118-W251 HydrophobicContact CG-CE3 3.87Å; R118-W251 HydrophobicContact CG-CH2 3.89Å; R118-W251 HydrophobicContact CG-CZ2 4.45Å; R118-W251 HydrophobicContact CG-CZ3 3.6Å |
| 119 | W | 97.3 | Very high | 96 | Very high | 23 Ų | 23 | 49.2 Ų | 49.2 | 9% | 0.087 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 138.1 | 168.3 | -63.7 | 114 | 0 | 0 | 0 | 111.3 | I127 L138 H228 E230 H275 A277 | W119-I127 HydrophobicContact CB-CD1 4.05Å; W119-I127 HydrophobicContact CB-CG1 3.85Å; W119-I127 HydrophobicContact CB-CG2 4.07Å; W119-I127 HydrophobicContact CD2-CD1 4.3Å; W119-I127 HydrophobicContact CD2-CG2 4.33Å; W119-I127 HydrophobicContact CE3-CG2 4.28Å; W119-I127 HydrophobicContact CG-CD1 3.72Å; W119-I127 HydrophobicContact CG-CG1 4.1Å; W119-I127 HydrophobicContact CG-CG2 4.26Å; W119-L138 HydrophobicContact CD2-CD1 4.22Å; W119-L138 HydrophobicContact CE3-CB 4.36Å; W119-L138 HydrophobicContact CE3-CD1 3.87Å; W119-L138 HydrophobicContact CH2-CD1 4.39Å; W119-L138 HydrophobicContact CZ3-CB 4.13Å; W119-L138 HydrophobicContact CZ3-CD1 3.96Å; W119-H228 AromaticContact CD1-NE2 3.6Å; W119-H228 AromaticContact CE2-NE2 3.72Å; W119-H228 AromaticContact NE1-CE1 3.9Å; W119-H228 AromaticContact NE1-NE2 3.19Å; W119-H228 PolarHBondContact NE1-NE2 3.47Å; W119-H228 VanDerWaalsContact NE1-NE2 3.19Å; W119-E230 VanDerWaalsContact NE1-CD 3.33Å; W119-E230 PolarHBondContact NE1-OE1 2.94Å; W119-E230 VanDerWaalsContact NE1-OE1 3.17Å; W119-E230 PolarHBondContact NE1-OE2 3.23Å; W119-H275 HydrophobicContact CH2-CB 3.84Å; W119-H275 WeakPolarHBondContact CH2-O 3.22Å; W119-H275 HydrophobicContact CZ2-CB 4.28Å; W119-A277 HydrophobicContact CH2-CB 4.32Å; W119-A277 HydrophobicContact CZ3-CB 3.97Å |
| 120 | Q | 96.1 | Very high | 95.9 | Very high | 34 Ų | 34 | 50.6 Ų | 50.6 | 16% | 0.159 | 25% | 0.247 | C | C | . | . | trans | -67.3 | 131.9 | 165.4 | -175.9 | 167.2 | -38.7 | 0 | 0 | 108.5 | I127 E128 L137 Q139 T253 | Q120-I127 WeakPolarHBondContact O-CA 3.09Å; Q120-E128 HydrophobicContact CB-CB 4.5Å; Q120-E128 HydrophobicContact CG-CB 4.27Å; Q120-E128 HydrophobicContact CG-CG 4.45Å; Q120-E128 PolarHBondContact NE2-OE2 2.86Å; Q120-E128 PolarHBondContact O-N 2.75Å; Q120-L137 HydrophobicContact CB-CB 3.81Å; Q120-L137 PolarHBondContact N-O 3.27Å; Q120-Q139 HydrophobicContact CB-CG 4.02Å; Q120-T253 PolarHBondContact OE1-OG1 3.08Å | ||
| 121 | R | 94.3 | Very high | 95.7 | Very high | 88 Ų | 88 | 57.7 Ų | 57.7 | 33% | 0.332 | 29% | 0.285 | S | S | . | . | B | Isolated β-bridge | trans | -126.2 | 143.4 | -179.8 | -65.8 | 174.3 | -177.4 | -79.6 | -3.7 | 110.5 | G125 E126 I127 E230 S231 | R121-G125 WeakPolarHBondContact CD-O 3.36Å; R121-G125 PolarHBondContact NH1-O 3.01Å; R121-E126 CarbonylContact C-O 3.59Å; R121-E126 WeakPolarHBondContact CA-O 3.48Å; R121-I127 HydrophobicContact CG-CG1 4.47Å; R121-E230 PolarHBondContact NH2-O 3.26Å; R121-S231 PolarHBondContact NE-O 3.5Å; R121-S231 PolarHBondContact NH2-O 3.44Å |
| 122 | N | 92.3 | Very high | 95.6 | Very high | 50 Ų | 50 | 65.2 Ų | 65.2 | 27% | 0.267 | 32% | 0.323 | S | S | . | . | trans | -75.8 | -178.7 | 173.8 | 68.9 | 13.7 | 0 | 0 | 0 | 111.2 | N124 G125 E126 E128 | N122-N124 PolarHBondContact O-N 2.9Å; N122-N124 VanDerWaalsContact O-N 3.13Å; N122-N124 WeakPolarHBondContact OD1-CA 3.44Å; N122-N124 WeakPolarHBondContact OD1-CB 3.32Å; N122-N124 PolarHBondContact OD1-N 3.38Å; N122-G125 PolarHBondContact O-N 3.08Å; N122-G125 PolarHBondContact OD1-N 2.91Å; N122-E126 PolarHBondContact N-O 3.33Å; N122-E126 PolarHBondContact ND2-OE2 2.74Å; N122-E126 PolarHBondContact OD1-N 3.24Å; N122-E128 VanDerWaalsContact CA-OE1 3.3Å; N122-E128 WeakPolarHBondContact CA-OE1 3.32Å; N122-E128 HydrophobicContact CB-CG 3.98Å; N122-E128 PolarHBondContact N-OE1 3.29Å | ||
| 123 | E | 89.9 | Confident | 95.5 | Very high | 203 Ų | 203 | 67.8 Ų | 67.8 | 95% | 0.949 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -23.9 | 179.1 | -62.9 | -179.2 | 173.5 | 0 | 0 | 113.9 | G125 | E123-G125 VanDerWaalsContact C-N 3.32Š|
| 124 | N | 93.3 | Very high | 95.4 | Very high | 133 Ų | 133 | 69.4 Ų | 69.4 | 71% | 0.711 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -1.1 | 176.2 | -60.2 | -36 | 0 | 0 | 0 | 113 | N122 E126 | N122-N124 PolarHBondContact O-N 2.9Å; N122-N124 VanDerWaalsContact O-N 3.13Å; N122-N124 WeakPolarHBondContact OD1-CA 3.44Å; N122-N124 WeakPolarHBondContact OD1-CB 3.32Å; N122-N124 PolarHBondContact OD1-N 3.38Å; N124-E126 VanDerWaalsContact C-N 3.33Å; N124-E126 HydrophobicContact CB-CG 4.19Å |
| 125 | G | 90.4 | Very high | 95.4 | Very high | 35 Ų | 35 | 73.9 Ų | 73.9 | 36% | 0.361 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 80.3 | 8.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | R121 N122 E123 | R121-G125 WeakPolarHBondContact CD-O 3.36Å; R121-G125 PolarHBondContact NH1-O 3.01Å; N122-G125 PolarHBondContact O-N 3.08Å; N122-G125 PolarHBondContact OD1-N 2.91Å; E123-G125 VanDerWaalsContact C-N 3.32Å |
| 126 | E | 95 | Very high | 95.5 | Very high | 116 Ų | 116 | 75.2 Ų | 75.2 | 54% | 0.542 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -83.4 | 142.2 | 179.9 | -55.7 | 172.7 | 130.1 | 0 | 0 | 111 | R121 N122 N124 E128 | R121-E126 CarbonylContact C-O 3.59Å; R121-E126 WeakPolarHBondContact CA-O 3.48Å; N122-E126 PolarHBondContact N-O 3.33Å; N122-E126 PolarHBondContact ND2-OE2 2.74Å; N122-E126 PolarHBondContact OD1-N 3.24Å; N124-E126 VanDerWaalsContact C-N 3.33Å; N124-E126 HydrophobicContact CB-CG 4.19Å; E126-E128 PolarHBondContact O-N 3.03Å |
| 127 | I | 97.2 | Very high | 95.6 | Very high | 57 Ų | 57 | 76.3 Ų | 76.3 | 29% | 0.292 | 39% | 0.394 | S | S | . | . | B | Isolated β-bridge | trans | -66.2 | 121.6 | 179.2 | -62.4 | 174.5 | 0 | 0 | 0 | 109.9 | W119 Q120 R121 | W119-I127 HydrophobicContact CB-CD1 4.05Å; W119-I127 HydrophobicContact CB-CG1 3.85Å; W119-I127 HydrophobicContact CB-CG2 4.07Å; W119-I127 HydrophobicContact CD2-CD1 4.3Å; W119-I127 HydrophobicContact CD2-CG2 4.33Å; W119-I127 HydrophobicContact CE3-CG2 4.28Å; W119-I127 HydrophobicContact CG-CD1 3.72Å; W119-I127 HydrophobicContact CG-CG1 4.1Å; W119-I127 HydrophobicContact CG-CG2 4.26Å; Q120-I127 WeakPolarHBondContact O-CA 3.09Å; R121-I127 HydrophobicContact CG-CG1 4.47Å |
| 128 | E | 97.6 | Very high | 95.7 | Very high | 63 Ų | 63 | 76.3 Ų | 76.3 | 29% | 0.294 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 147.6 | 177.4 | -71.1 | -175.1 | -149.3 | 0 | 0 | 111.9 | Q120 N122 E126 S136 L137 | Q120-E128 HydrophobicContact CB-CB 4.5Å; Q120-E128 HydrophobicContact CG-CB 4.27Å; Q120-E128 HydrophobicContact CG-CG 4.45Å; Q120-E128 PolarHBondContact NE2-OE2 2.86Å; Q120-E128 PolarHBondContact O-N 2.75Å; N122-E128 VanDerWaalsContact CA-OE1 3.3Å; N122-E128 WeakPolarHBondContact CA-OE1 3.32Å; N122-E128 HydrophobicContact CB-CG 3.98Å; N122-E128 PolarHBondContact N-OE1 3.29Å; E126-E128 PolarHBondContact O-N 3.03Å; E128-S136 WeakPolarHBondContact O-CA 3.44Å; E128-L137 HydrophobicContact CB-CD1 4.05Å; E128-L137 PolarHBondContact O-N 2.86Å |
| 129 | K | 97.7 | Very high | 95.7 | Very high | 130 Ų | 130 | 74.6 Ų | 74.6 | 57% | 0.565 | 39% | 0.389 | S | S | * | . | B | Isolated β-bridge | trans | -121.8 | 145.3 | 178.6 | -67.5 | 179.6 | 175.7 | -175.4 | 0 | 110.5 | N131 K135 | K129-N131 PolarHBondContact O-N 3.16Å; K129-K135 CarbonylContact C-O 3.56Å; K129-K135 WeakPolarHBondContact CA-O 3.36Å |
| 130 | N | 96.9 | Very high | 95.7 | Very high | 33 Ų | 33 | 73.5 Ų | 73.5 | 18% | 0.176 | 39% | 0.385 | C | S | . | . | trans | -69.9 | 126.5 | 170.8 | 176.2 | -90.4 | 0 | 0 | 0 | 110.1 | I132 S133 G134 K135 L137 H278 | N130-I132 PolarHBondContact O-N 3.37Å; N130-I132 PolarHBondContact OD1-N 3.44Å; N130-I132 VanDerWaalsContact OD1-N 3.08Å; N130-S133 WeakPolarHBondContact CB-OG 3.27Å; N130-S133 PolarHBondContact OD1-N 3.19Å; N130-S133 PolarHBondContact OD1-OG 3.07Å; N130-G134 WeakPolarHBondContact O-CA 3.35Å; N130-G134 PolarHBondContact O-N 3.43Å; N130-K135 PolarHBondContact N-O 3.41Å; N130-L137 HydrophobicContact CB-CD2 3.81Å; N130-H278 HydrophobicContact CB-CB 3.99Å; N130-H278 PolarHBondContact ND2-CE1 2.84Å; N130-H278 PolarHBondContact ND2-NE2 2.99Å; N130-H278 PolarHBondContact OD1-CE1 3.11Å | ||
| 131 | N | 95.4 | Very high | 95.6 | Very high | 166 Ų | 166 | 71.9 Ų | 71.9 | 89% | 0.888 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -23.1 | -174.1 | -67 | -21.4 | 0 | 0 | 0 | 114.7 | K129 | K129-N131 PolarHBondContact O-N 3.16Š|
| 132 | I | 94.6 | Very high | 95.6 | Very high | 167 Ų | 167 | 67.7 Ų | 67.7 | 86% | 0.856 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -48.7 | -177.1 | -60.1 | 175.2 | 0 | 0 | 0 | 110.6 | N130 | N130-I132 PolarHBondContact O-N 3.37Å; N130-I132 PolarHBondContact OD1-N 3.44Å; N130-I132 VanDerWaalsContact OD1-N 3.08Å |
| 133 | S | 95.5 | Very high | 95.6 | Very high | 53 Ų | 53 | 65.4 Ų | 65.4 | 37% | 0.371 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -17.2 | -176.1 | 64.1 | 0 | 0 | 0 | 0 | 114.1 | N130 K135 H278 | N130-S133 WeakPolarHBondContact CB-OG 3.27Å; N130-S133 PolarHBondContact OD1-N 3.19Å; N130-S133 PolarHBondContact OD1-OG 3.07Å; S133-K135 PolarHBondContact O-N 3.24Å; S133-K135 VanDerWaalsContact O-N 3.16Å; S133-K135 PolarHBondContact OG-N 3.29Å; S133-H278 PolarHBondContact OG-ND1 3.09Å |
| 134 | G | 96.7 | Very high | 95.6 | Very high | 47 Ų | 47 | 56.8 Ų | 56.8 | 49% | 0.485 | 31% | 0.31 | S | S | . | . | trans | 68.9 | 2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | N130 | N130-G134 WeakPolarHBondContact O-CA 3.35Å; N130-G134 PolarHBondContact O-N 3.43Å | ||
| 135 | K | 98 | Very high | 95.2 | Very high | 95 Ų | 95 | 52 Ų | 52 | 41% | 0.413 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -86.3 | 151.3 | -180 | -65.1 | -173.3 | 174.3 | -171.7 | 0 | 111.7 | K129 N130 S133 A277 H278 | K129-K135 CarbonylContact C-O 3.56Å; K129-K135 WeakPolarHBondContact CA-O 3.36Å; N130-K135 PolarHBondContact N-O 3.41Å; S133-K135 PolarHBondContact O-N 3.24Å; S133-K135 VanDerWaalsContact O-N 3.16Å; S133-K135 PolarHBondContact OG-N 3.29Å; K135-A277 VanDerWaalsContact CD-O 3.32Å; K135-A277 WeakPolarHBondContact CD-O 3.42Å; K135-H278 HydrophobicContact CB-CB 4.3Å |
| 136 | S | 98.4 | Very high | 94.9 | Very high | 28 Ų | 28 | 56.9 Ų | 56.9 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | B | Isolated β-bridge | trans | -62.9 | 143.7 | 176.5 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | E128 A277 H278 | E128-S136 WeakPolarHBondContact O-CA 3.44Å; S136-A277 WeakPolarHBondContact O-CA 3.4Å; S136-H278 PolarHBondContact O-N 3.06Å |
| 137 | L | 98 | Very high | 94.2 | Very high | 22 Ų | 22 | 56.1 Ų | 56.1 | 12% | 0.115 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -84.5 | 121.3 | 175.5 | -67 | -180 | 0 | 0 | 0 | 109.9 | Q120 E128 N130 T253 H278 | Q120-L137 HydrophobicContact CB-CB 3.81Å; Q120-L137 PolarHBondContact N-O 3.27Å; E128-L137 HydrophobicContact CB-CD1 4.05Å; E128-L137 PolarHBondContact O-N 2.86Å; N130-L137 HydrophobicContact CB-CD2 3.81Å; L137-T253 HydrophobicContact CB-CG2 4.25Å; L137-T253 HydrophobicContact CD2-CG2 4.29Å; L137-H278 HydrophobicContact CD2-CB 4.03Å |
| 138 | L | 98.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 136.9 | 177.2 | -170.4 | 70.1 | 0 | 0 | 0 | 109.6 | R118 W119 L254 L271 H275 A277 | R118-L138 WeakPolarHBondContact O-CD1 2.88Å; W119-L138 HydrophobicContact CD2-CD1 4.22Å; W119-L138 HydrophobicContact CE3-CB 4.36Å; W119-L138 HydrophobicContact CE3-CD1 3.87Å; W119-L138 HydrophobicContact CH2-CD1 4.39Å; W119-L138 HydrophobicContact CZ3-CB 4.13Å; W119-L138 HydrophobicContact CZ3-CD1 3.96Å; L138-L254 HydrophobicContact CB-CD1 4.1Å; L138-L254 HydrophobicContact CB-CG 4.3Å; L138-L254 HydrophobicContact CD2-CD1 3.85Å; L138-L254 HydrophobicContact CG-CD1 4.31Å; L138-L254 WeakPolarHBondContact O-CG 3.31Å; L138-L254 PolarHBondContact O-N 2.86Å; L138-L271 HydrophobicContact CD2-CD1 4.4Å; L138-L271 HydrophobicContact CD2-CD2 4.01Å; L138-L271 HydrophobicContact CD2-CG 3.83Å; L138-H275 HydrophobicContact CD2-CB 4.13Å; L138-A277 HydrophobicContact CB-CB 3.7Å; L138-A277 HydrophobicContact CD2-CB 4.35Å |
| 139 | Q | 96.8 | Very high | 92.9 | Very high | 22 Ų | 22 | 55.6 Ų | 55.6 | 10% | 0.103 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 151.4 | 170.1 | -62.7 | -174.9 | -35.4 | 0 | 0 | 110.2 | S117 R118 Q120 W251 V252 T253 | S117-Q139 CarbonylContact C-O 3.58Å; S117-Q139 WeakPolarHBondContact CA-O 3.44Å; S117-Q139 WeakPolarHBondContact CB-O 3.4Å; R118-Q139 HydrophobicContact CG-CB 4.13Å; R118-Q139 VanDerWaalsContact CZ-OE1 3.32Å; R118-Q139 PolarHBondContact N-O 2.85Å; R118-Q139 PolarHBondContact O-N 3.4Å; Q120-Q139 HydrophobicContact CB-CG 4.02Å; Q139-W251 HydrophobicContact CB-CE3 4Å; Q139-V252 CarbonylContact C-O 3.57Å; Q139-V252 VanDerWaalsContact CA-O 3.24Å; Q139-V252 WeakPolarHBondContact CA-O 3.42Å; Q139-T253 PolarHBondContact NE2-OG1 2.93Å |
| 140 | F | 96.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 156 | 167.4 | 79.6 | -70.8 | 0 | 0 | 0 | 110.6 | L115 V116 A142 I153 W251 V252 L254 F260 L268 | L115-F140 HydrophobicContact CD2-CD2 4.3Å; V116-F140 CarbonylContact O-C 3.53Å; V116-F140 VanDerWaalsContact O-CA 3.23Å; V116-F140 WeakPolarHBondContact O-CA 3.36Å; F140-A142 HydrophobicContact CD2-CB 4.3Å; F140-A142 HydrophobicContact CE1-CB 4.39Å; F140-A142 HydrophobicContact CE2-CB 3.58Å; F140-A142 HydrophobicContact CZ-CB 3.66Å; F140-A142 PolarHBondContact O-N 2.69Å; F140-I153 HydrophobicContact CE2-CG1 4.12Å; F140-W251 VanDerWaalsContact C-CE3 3.5Å; F140-V252 HydrophobicContact CD1-CB 4.28Å; F140-V252 WeakPolarHBondContact CD1-O 3.31Å; F140-V252 HydrophobicContact CE1-CB 3.88Å; F140-V252 HydrophobicContact CE1-CG1 3.96Å; F140-V252 HydrophobicContact CZ-CB 4.48Å; F140-V252 PolarHBondContact N-O 2.9Å; F140-V252 PolarHBondContact O-N 3.48Å; F140-L254 HydrophobicContact CD1-CD2 3.36Å; F140-L254 HydrophobicContact CE1-CD2 3.75Å; F140-L254 HydrophobicContact CG-CD2 4.24Å; F140-F260 HydrophobicContact CE1-CE1 4.03Å; F140-F260 HydrophobicContact CE1-CZ 4.01Å; F140-F260 HydrophobicContact CZ-CD1 4.27Å; F140-F260 AromaticContact CZ-CE1 3.54Å; F140-F260 HydrophobicContact CZ-CE1 3.54Å; F140-F260 AromaticContact CZ-CZ 3.99Å; F140-F260 HydrophobicContact CZ-CZ 3.99Å; F140-L268 HydrophobicContact CD1-CD2 3.96Å; F140-L268 HydrophobicContact CD2-CD2 3.96Å; F140-L268 HydrophobicContact CE1-CD1 3.94Å; F140-L268 HydrophobicContact CE1-CD2 3.87Å; F140-L268 HydrophobicContact CE2-CD1 4.42Å; F140-L268 HydrophobicContact CE2-CD2 3.89Å; F140-L268 HydrophobicContact CG-CD2 3.98Å; F140-L268 HydrophobicContact CZ-CD1 3.72Å; F140-L268 HydrophobicContact CZ-CD2 3.82Å; F140-L268 HydrophobicContact CZ-CG 4.43Å |
| 141 | L | 94.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 110.4 | 173 | -163.7 | 74.3 | 0 | 0 | 0 | 108.8 | V116 P154 F172 A176 F240 V249 W251 | V116-L141 HydrophobicContact CB-CB 4.26Å; V116-L141 PolarHBondContact O-N 2.88Å; L141-P154 WeakPolarHBondContact O-CD 3.37Å; L141-F172 HydrophobicContact CD2-CE2 3.78Å; L141-F172 HydrophobicContact CD2-CZ 3.76Å; L141-A176 HydrophobicContact CD2-CB 3.88Å; L141-F240 HydrophobicContact CD1-CB 4.23Å; L141-F240 HydrophobicContact CD1-CD1 4.34Å; L141-F240 HydrophobicContact CD1-CD2 3.42Å; L141-F240 VanDerWaalsContact CD1-CD2 3.42Å; L141-F240 HydrophobicContact CD1-CE2 3.78Å; L141-F240 HydrophobicContact CD1-CG 3.73Å; L141-F240 HydrophobicContact CD1-CZ 4.37Å; L141-F240 HydrophobicContact CD2-CB 4.37Å; L141-F240 HydrophobicContact CD2-CD1 3.41Å; L141-F240 VanDerWaalsContact CD2-CD1 3.41Å; L141-F240 HydrophobicContact CD2-CD2 4.03Å; L141-F240 HydrophobicContact CD2-CE1 3.56Å; L141-F240 HydrophobicContact CD2-CE2 4.14Å; L141-F240 HydrophobicContact CD2-CG 3.66Å; L141-F240 HydrophobicContact CD2-CZ 3.91Å; L141-F240 HydrophobicContact CG-CD2 4.39Å; L141-F240 HydrophobicContact CG-CG 4.34Å; L141-V249 HydrophobicContact CD1-CG2 3.77Å; L141-V249 HydrophobicContact CD2-CG2 3.8Å; L141-V249 HydrophobicContact CG-CG2 3.62Å; L141-W251 HydrophobicContact CB-CE3 4.45Å; L141-W251 HydrophobicContact CB-CZ3 4.33Å; L141-W251 HydrophobicContact CD1-CD2 4.14Å; L141-W251 HydrophobicContact CD1-CG 4.43Å; L141-W251 HydrophobicContact CD1-CZ2 4.39Å |
| 142 | A | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 150.1 | 177 | 0 | 0 | 0 | 0 | 0 | 110.2 | F140 F151 A152 V249 E250 V252 | F140-A142 HydrophobicContact CD2-CB 4.3Å; F140-A142 HydrophobicContact CE1-CB 4.39Å; F140-A142 HydrophobicContact CE2-CB 3.58Å; F140-A142 HydrophobicContact CZ-CB 3.66Å; F140-A142 PolarHBondContact O-N 2.69Å; A142-F151 HydrophobicContact CB-CD1 3.96Å; A142-A152 WeakPolarHBondContact CA-O 3.5Å; A142-V249 WeakPolarHBondContact O-CA 3.48Å; A142-E250 PolarHBondContact N-O 2.74Å; A142-E250 PolarHBondContact O-N 2.72Å; A142-V252 HydrophobicContact CB-CB 4.11Å; A142-V252 HydrophobicContact CB-CG2 3.61Å |
| 143 | I | 91.7 | Very high | 92.3 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 157.1 | 163.7 | 55 | 147.2 | 0 | 0 | 0 | 110.5 | R145 F151 A152 P154 A246 H248 V249 | I143-R145 HydrophobicContact CD1-CG 4.46Å; I143-F151 CarbonylContact O-C 3.55Å; I143-F151 WeakPolarHBondContact O-CA 3.39Å; I143-A152 HydrophobicContact CD1-CB 4.24Å; I143-A152 HydrophobicContact CG1-CB 4.06Å; I143-A152 PolarHBondContact N-O 3.34Å; I143-A152 PolarHBondContact O-N 3.42Å; I143-P154 HydrophobicContact CG2-CB 4.45Å; I143-P154 HydrophobicContact CG2-CG 4.06Å; I143-A246 HydrophobicContact CB-CB 3.82Å; I143-A246 HydrophobicContact CD1-CB 4.08Å; I143-A246 HydrophobicContact CG2-CB 3.77Å; I143-H248 CarbonylContact C-O 3.51Å; I143-H248 VanDerWaalsContact CA-O 3.26Å; I143-H248 WeakPolarHBondContact CA-O 3.3Å; I143-V249 HydrophobicContact CG2-CB 4.36Å; I143-V249 HydrophobicContact CG2-CG2 4.25Å |
| 144 | V | 90.4 | Very high | 92.3 | Very high | 21 Ų | 21 | 34.6 Ų | 34.6 | 13% | 0.127 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 121.3 | 163.5 | -178.5 | 0 | 0 | 0 | 0 | 108.4 | G149 F151 A246 V247 H248 | V144-G149 WeakPolarHBondContact CG1-O 3.26Å; V144-F151 HydrophobicContact CG2-CD1 3.87Å; V144-F151 HydrophobicContact CG2-CE1 3.45Å; V144-F151 VanDerWaalsContact CG2-CE1 3.45Å; V144-F151 HydrophobicContact CG2-CE2 4.43Å; V144-F151 HydrophobicContact CG2-CZ 3.72Å; V144-A246 WeakPolarHBondContact O-CA 3.34Å; V144-V247 HydrophobicContact CB-CG2 4.07Å; V144-V247 HydrophobicContact CG1-CG2 3.97Å; V144-V247 WeakPolarHBondContact O-CG2 3.39Å; V144-V247 PolarHBondContact O-N 2.69Å; V144-H248 HydrophobicContact CB-CB 4.03Å; V144-H248 HydrophobicContact CG2-CB 3.99Å; V144-H248 PolarHBondContact N-O 3.46Å |
| 145 | R | 85.3 | Confident | 92.2 | Very high | 33 Ų | 33 | 32.8 Ų | 32.8 | 13% | 0.125 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 137.2 | 179.4 | -65.2 | -177.5 | 58 | 79.6 | 2.9 | 111.2 | I143 D147 G149 E150 A152 | I143-R145 HydrophobicContact CD1-CG 4.46Å; R145-D147 VanDerWaalsContact C-N 3.35Å; R145-D147 WeakPolarHBondContact CB-OD1 3.44Å; R145-D147 IonicContact CZ-OD1 3.55Å; R145-D147 IonicContact CZ-OD2 3.55Å; R145-D147 IonicContact NE-OD1 3.86Å; R145-D147 PolarHBondContact NE-OD1 3.24Å; R145-D147 IonicContact NE-OD2 3.77Å; R145-D147 IonicContact NH2-OD1 2.78Å; R145-D147 PolarHBondContact NH2-OD1 2.82Å; R145-D147 IonicContact NH2-OD2 3.56Å; R145-D147 PolarHBondContact NH2-OD2 2.8Å; R145-D147 PolarHBondContact O-N 2.66Å; R145-G149 VanDerWaalsContact O-CA 3.24Å; R145-G149 WeakPolarHBondContact O-CA 3.33Å; R145-G149 PolarHBondContact O-N 3.45Å; R145-E150 PolarHBondContact N-O 2.78Å; R145-A152 HydrophobicContact CG-CB 3.81Å |
| 146 | R | 83.6 | Confident | 92.1 | Very high | 137 Ų | 137 | 29.1 Ų | 29.1 | 52% | 0.517 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -36.7 | 176.5 | -171.8 | 172.5 | -61.1 | 114.9 | 7.4 | 113.6 | S244 D245 A246 V247 | R146-S244 PolarHBondContact NH1-O 2.82Å; R146-S244 PolarHBondContact NH2-O 2.84Å; R146-D245 WeakPolarHBondContact CB-O 3.49Å; R146-D245 PolarHBondContact N-O 3.32Å; R146-D245 IonicContact NH1-OD1 3.28Å; R146-A246 PolarHBondContact NH2-O 3.13Å; R146-V247 HydrophobicContact CB-CG1 3.7Å; R146-V247 HydrophobicContact CG-CG1 3.7Å |
| 147 | D | 80 | Confident | 92 | Very high | 100 Ų | 100 | 31 Ų | 31 | 54% | 0.535 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -32.1 | -169.8 | 64.3 | -22.9 | 0 | 0 | 0 | 113.6 | R145 | R145-D147 VanDerWaalsContact C-N 3.35Å; R145-D147 WeakPolarHBondContact CB-OD1 3.44Å; R145-D147 IonicContact CZ-OD1 3.55Å; R145-D147 IonicContact CZ-OD2 3.55Å; R145-D147 IonicContact NE-OD1 3.86Å; R145-D147 PolarHBondContact NE-OD1 3.24Å; R145-D147 IonicContact NE-OD2 3.77Å; R145-D147 IonicContact NH2-OD1 2.78Å; R145-D147 PolarHBondContact NH2-OD1 2.82Å; R145-D147 IonicContact NH2-OD2 3.56Å; R145-D147 PolarHBondContact NH2-OD2 2.8Å; R145-D147 PolarHBondContact O-N 2.66Å |
| 148 | T | 83.6 | Confident | 92 | Very high | 62 Ų | 62 | 31.4 Ų | 31.4 | 38% | 0.38 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | -18.9 | 179.9 | 69 | 0 | 0 | 0 | 0 | 114.2 | E150 Y261 | T148-E150 WeakPolarHBondContact CB-OE2 3.37Å; T148-E150 PolarHBondContact O-N 3.25Å; T148-E150 WeakPolarHBondContact OG1-CB 3.19Å; T148-E150 WeakPolarHBondContact OG1-CG 3.26Å; T148-E150 PolarHBondContact OG1-N 3.35Å; T148-E150 PolarHBondContact OG1-OE2 2.97Å; T148-Y261 HydrophobicContact CG2-CD2 4.43Å; T148-Y261 HydrophobicContact CG2-CE2 4.3Å |
| 149 | G | 85.2 | Confident | 91.9 | Very high | 48 Ų | 48 | 35.2 Ų | 35.2 | 50% | 0.495 | 19% | 0.19 | S | C | . | . | trans | 70.3 | 8.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | V144 R145 | V144-G149 WeakPolarHBondContact CG1-O 3.26Å; R145-G149 VanDerWaalsContact O-CA 3.24Å; R145-G149 WeakPolarHBondContact O-CA 3.33Å; R145-G149 PolarHBondContact O-N 3.45Å | ||
| 150 | E | 89.3 | Confident | 91.8 | Very high | 67 Ų | 67 | 37.2 Ų | 37.2 | 31% | 0.313 | 21% | 0.206 | S | C | . | . | trans | -87.1 | 150.7 | -179 | -64.7 | 171.5 | 109.2 | 0 | 0 | 111.6 | R145 T148 Y261 | R145-E150 PolarHBondContact N-O 2.78Å; T148-E150 WeakPolarHBondContact CB-OE2 3.37Å; T148-E150 PolarHBondContact O-N 3.25Å; T148-E150 WeakPolarHBondContact OG1-CB 3.19Å; T148-E150 WeakPolarHBondContact OG1-CG 3.26Å; T148-E150 PolarHBondContact OG1-N 3.35Å; T148-E150 PolarHBondContact OG1-OE2 2.97Å; E150-Y261 WeakPolarHBondContact OE2-CD2 3.47Å | ||
| 151 | F | 92.8 | Very high | 91.8 | Very high | 36 Ų | 36 | 40 Ų | 40 | 16% | 0.158 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 137 | 168.4 | -75.1 | -80.5 | 0 | 0 | 0 | 110.7 | A142 I143 V144 E250 V252 F260 Y261 | A142-F151 HydrophobicContact CB-CD1 3.96Å; I143-F151 CarbonylContact O-C 3.55Å; I143-F151 WeakPolarHBondContact O-CA 3.39Å; V144-F151 HydrophobicContact CG2-CD1 3.87Å; V144-F151 HydrophobicContact CG2-CE1 3.45Å; V144-F151 VanDerWaalsContact CG2-CE1 3.45Å; V144-F151 HydrophobicContact CG2-CE2 4.43Å; V144-F151 HydrophobicContact CG2-CZ 3.72Å; F151-E250 HydrophobicContact CE1-CG 4.14Å; F151-E250 WeakPolarHBondContact CE1-OE1 3.41Å; F151-E250 WeakPolarHBondContact CZ-OE1 3.37Å; F151-V252 HydrophobicContact CD1-CG2 4.17Å; F151-V252 HydrophobicContact CE1-CG2 4.09Å; F151-F260 HydrophobicContact CB-CD1 3.45Å; F151-F260 VanDerWaalsContact CB-CD1 3.45Å; F151-F260 HydrophobicContact CB-CE1 3.57Å; F151-F260 HydrophobicContact CG-CE1 4.36Å; F151-F260 WeakPolarHBondContact O-CA 3.28Å; F151-Y261 PolarHBondContact O-N 3.03Å |
| 152 | A | 94.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 163.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A142 I143 R145 | A142-A152 WeakPolarHBondContact CA-O 3.5Å; I143-A152 HydrophobicContact CD1-CB 4.24Å; I143-A152 HydrophobicContact CG1-CB 4.06Å; I143-A152 PolarHBondContact N-O 3.34Å; I143-A152 PolarHBondContact O-N 3.42Å; R145-A152 HydrophobicContact CG-CB 3.81Å |
| 153 | I | 95.9 | Very high | 92 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | trans | -80.2 | 136.5 | 167.4 | -57.9 | 162.7 | 0 | 0 | 0 | 105.7 | D113 I114 L115 F140 G155 H264 I267 L268 | D113-I153 HydrophobicContact CB-CB 4.36Å; D113-I153 HydrophobicContact CB-CG2 3.9Å; I114-I153 WeakPolarHBondContact O-CG2 3.25Å; L115-I153 HydrophobicContact CD2-CB 4.44Å; L115-I153 HydrophobicContact CD2-CD1 3.67Å; L115-I153 HydrophobicContact CD2-CG1 3.78Å; L115-I153 HydrophobicContact CD2-CG2 3.76Å; L115-I153 HydrophobicContact CG-CD1 4.41Å; L115-I153 HydrophobicContact CG-CG2 4.06Å; F140-I153 HydrophobicContact CE2-CG1 4.12Å; I153-G155 PolarHBondContact O-N 2.87Å; I153-H264 HydrophobicContact CD1-CB 3.91Å; I153-H264 HydrophobicContact CG1-CB 4.24Å; I153-H264 PolarHBondContact N-ND1 2.92Å; I153-H264 VanDerWaalsContact N-ND1 3.15Å; I153-I267 HydrophobicContact CD1-CB 4.08Å; I153-I267 HydrophobicContact CD1-CD1 4.49Å; I153-I267 HydrophobicContact CD1-CG2 3.74Å; I153-L268 HydrophobicContact CD1-CD2 4.3Å; I153-L268 HydrophobicContact CD1-CG 4.35Å; I153-L268 HydrophobicContact CG1-CD2 4.31Å | ||
| 154 | P | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -55.9 | 137.8 | 171.6 | -19.9 | 28 | 0 | 0 | 0 | 110.6 | I114 L141 I143 F172 E175 | I114-P154 WeakPolarHBondContact CD1-O 3.43Å; I114-P154 PolarHBondContact N-O 3.35Å; L141-P154 WeakPolarHBondContact O-CD 3.37Å; I143-P154 HydrophobicContact CG2-CB 4.45Å; I143-P154 HydrophobicContact CG2-CG 4.06Å; P154-F172 HydrophobicContact CB-CD2 4.36Å; P154-E175 VanDerWaalsContact CA-OE2 3.3Å; P154-E175 WeakPolarHBondContact CA-OE2 3.36Å |
| 155 | G | 95.2 | Very high | 92.5 | Very high | 10 Ų | 10 | 46.9 Ų | 46.9 | 10% | 0.103 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.8 | 173.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | V112 I153 E175 | V112-G155 CarbonylContact O-C 3.56Å; V112-G155 WeakPolarHBondContact O-CA 3.5Å; I153-G155 PolarHBondContact O-N 2.87Å; G155-E175 PolarHBondContact N-OE2 3.19Å; G155-E175 VanDerWaalsContact O-OE1 3.06Å; G155-E175 VanDerWaalsContact O-OE2 3.06Å |
| 156 | G | 94.7 | Very high | 93 | Very high | 18 Ų | 18 | 49.6 Ų | 49.6 | 19% | 0.186 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.8 | -176.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | A111 V112 E171 | A111-G156 CarbonylContact C-O 3.17Å; A111-G156 WeakPolarHBondContact CA-O 3.41Å; A111-G156 WeakPolarHBondContact CB-O 3.28Å; V112-G156 PolarHBondContact N-O 3.07Å; V112-G156 PolarHBondContact O-N 2.82Å; V112-G156 VanDerWaalsContact O-N 3.08Å; G156-E171 VanDerWaalsContact CA-CD 3.41Å |
| 157 | M | 97.2 | Very high | 93.6 | Very high | 66 Ų | 66 | 43.1 Ų | 43.1 | 33% | 0.325 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 141.9 | -172.4 | -59.3 | -52.8 | -59 | 0 | 0 | 110.2 | N109 H110 A111 R170 E171 M220 | N109-M157 HydrophobicContact CB-CE 3.81Å; H110-M157 WeakPolarHBondContact O-CE 3.43Å; A111-M157 HydrophobicContact CB-SD 4.3Å; M157-R170 PolarHBondContact O-NH2 3.13Å; M157-E171 PolarHBondContact N-OE1 3.04Å; M157-M220 HydrophobicContact CE-CE 4.14Å; M157-M220 HydrophobicContact CE-SD 4.46Å; M157-M220 HydrophobicContact SD-CE 3.76Å; M157-M220 HydrophobicContact SD-SD 4.39Å |
| 158 | I | 97.8 | Very high | 94.5 | Very high | 32 Ų | 32 | 38.9 Ų | 38.9 | 16% | 0.164 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -79.8 | 123.5 | 168 | -61.7 | 167 | 0 | 0 | 0 | 107.6 | H110 V112 E162 V164 A167 | H110-I158 HydrophobicContact CB-CD1 4.05Å; H110-I158 PolarHBondContact O-N 2.79Å; V112-I158 HydrophobicContact CG1-CD1 3.76Å; V112-I158 HydrophobicContact CG1-CG1 3.75Å; I158-E162 HydrophobicContact CG2-CB 4.07Å; I158-E162 WeakPolarHBondContact CG2-O 3.1Å; I158-V164 HydrophobicContact CD1-CG2 4.15Å; I158-A167 HydrophobicContact CB-CB 4.33Å; I158-A167 HydrophobicContact CG1-CB 3.76Å; I158-A167 HydrophobicContact CG2-CB 4.35Å |
| 159 | D | 96.2 | Very high | 95.1 | Very high | 80 Ų | 80 | 40.1 Ų | 40.1 | 43% | 0.428 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -72 | 153.3 | 177.6 | -80.6 | -29.5 | 0 | 0 | 0 | 111.6 | G161 E162 R170 | D159-G161 PolarHBondContact O-N 3.36Å; D159-G161 VanDerWaalsContact O-N 3.15Å; D159-E162 HydrophobicContact CB-CB 4.09Å; D159-E162 PolarHBondContact N-OE2 3.49Å; D159-E162 WeakPolarHBondContact O-CB 3.18Å; D159-E162 PolarHBondContact O-N 2.87Å; D159-R170 IonicContact OD2-CZ 2.89Å; D159-R170 IonicContact OD2-NE 2.69Å; D159-R170 IonicContact OD2-NH2 3.72Å |
| 160 | P | 95.1 | Very high | 95.6 | Very high | 65 Ų | 65 | 40.2 Ų | 40.2 | 42% | 0.422 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | 122.3 | 176.9 | -25.6 | 35.1 | 0 | 0 | 0 | 112.5 | N71 V72 E162 | N71-P160 HydrophobicContact CB-CB 3.87Å; N71-P160 CarbonylContact O-C 3.52Å; N71-P160 VanDerWaalsContact O-CA 3.31Å; N71-P160 WeakPolarHBondContact O-CA 3.32Å; V72-P160 HydrophobicContact CG2-CB 4.21Å; V72-P160 HydrophobicContact CG2-CG 4.31Å; P160-E162 VanDerWaalsContact C-N 3.29Å |
| 161 | G | 95.4 | Very high | 95.9 | Very high | 57 Ų | 57 | 37.8 Ų | 37.8 | 59% | 0.588 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.8 | -4.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | N71 D159 | N71-G161 PolarHBondContact O-N 2.88Å; D159-G161 PolarHBondContact O-N 3.36Å; D159-G161 VanDerWaalsContact O-N 3.15Å |
| 162 | E | 96.9 | Very high | 96 | Very high | 39 Ų | 39 | 36.1 Ų | 36.1 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | trans | -79.4 | 137.3 | 176.5 | -169.3 | 179.7 | -140.5 | 0 | 0 | 111 | I158 D159 P160 E166 A167 R170 | I158-E162 HydrophobicContact CG2-CB 4.07Å; I158-E162 WeakPolarHBondContact CG2-O 3.1Å; D159-E162 HydrophobicContact CB-CB 4.09Å; D159-E162 PolarHBondContact N-OE2 3.49Å; D159-E162 WeakPolarHBondContact O-CB 3.18Å; D159-E162 PolarHBondContact O-N 2.87Å; P160-E162 VanDerWaalsContact C-N 3.29Å; E162-E166 HydrophobicContact CG-CB 3.58Å; E162-A167 VanDerWaalsContact CD-CA 3.45Å; E162-A167 HydrophobicContact CG-CB 4.2Å; E162-A167 WeakPolarHBondContact OE1-CA 3.18Å; E162-A167 PolarHBondContact OE1-N 3.27Å; E162-A167 VanDerWaalsContact OE2-CB 3.28Å; E162-A167 WeakPolarHBondContact OE2-CB 3.45Å; E162-R170 IonicContact OE1-CZ 3.07Å; E162-R170 IonicContact OE1-NE 3.27Å; E162-R170 PolarHBondContact OE1-NE 3.22Å; E162-R170 IonicContact OE1-NH2 3.82Å; E162-R170 PolarHBondContact OE1-NH2 2.85Å; E162-R170 IonicContact OE2-CZ 3.32Å; E162-R170 IonicContact OE2-NE 3.92Å; E162-R170 IonicContact OE2-NH2 2.78Å; E162-R170 PolarHBondContact OE2-NH2 3.32Å | ||
| 163 | S | 96 | Very high | 95.9 | Very high | 54 Ų | 54 | 36.6 Ų | 36.6 | 38% | 0.378 | 21% | 0.213 | S | C | . | . | trans | -75.8 | 157.3 | 171.6 | 69.5 | 0 | 0 | 0 | 0 | 111.6 | A165 E166 A167 | S163-A165 PolarHBondContact O-N 3.37Å; S163-E166 VanDerWaalsContact CB-OE2 3.26Å; S163-E166 WeakPolarHBondContact CB-OE2 3.02Å; S163-E166 PolarHBondContact N-OE2 2.57Å; S163-E166 PolarHBondContact O-N 3Å; S163-E166 VanDerWaalsContact O-N 3.14Å; S163-E166 VanDerWaalsContact OG-CG 3.25Å; S163-E166 WeakPolarHBondContact OG-CG 3.29Å; S163-E166 PolarHBondContact OG-N 2.96Å; S163-E166 PolarHBondContact OG-OE2 2.83Å; S163-A167 PolarHBondContact O-N 3.06Å | ||
| 164 | V | 96.3 | Very high | 95.8 | Very high | 37 Ų | 37 | 38.2 Ų | 38.2 | 22% | 0.224 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -53.4 | -42.2 | 175.7 | 170.7 | 0 | 0 | 0 | 0 | 111.8 | V112 I158 A167 Q168 V223 | V112-V164 HydrophobicContact CG1-CG1 4.02Å; I158-V164 HydrophobicContact CD1-CG2 4.15Å; V164-A167 PolarHBondContact O-N 2.83Å; V164-Q168 HydrophobicContact CG1-CG 4.39Å; V164-Q168 WeakPolarHBondContact O-CB 3.44Å; V164-Q168 WeakPolarHBondContact O-CG 3.38Å; V164-Q168 PolarHBondContact O-N 2.85Å; V164-V223 HydrophobicContact CG1-CB 4.05Å; V164-V223 HydrophobicContact CG1-CG1 3.95Å; V164-V223 HydrophobicContact CG1-CG2 4.39Å; V164-V223 HydrophobicContact CG2-CG2 4.14Å |
| 165 | A | 96 | Very high | 95.4 | Very high | 39 Ų | 39 | 38.7 Ų | 38.7 | 32% | 0.322 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -71 | -34.1 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | S163 R169 | S163-A165 PolarHBondContact O-N 3.37Å; A165-R169 WeakPolarHBondContact O-CG 3.33Å; A165-R169 VanDerWaalsContact O-CZ 3.29Å; A165-R169 PolarHBondContact O-N 2.97Å; A165-R169 PolarHBondContact O-NH1 3.08Å |
| 166 | E | 96.2 | Very high | 95.1 | Very high | 91 Ų | 91 | 38.2 Ų | 38.2 | 43% | 0.425 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.7 | -48 | 173.4 | -73 | 162 | 146.3 | 0 | 0 | 110.8 | E162 S163 Q168 R169 R170 | E162-E166 HydrophobicContact CG-CB 3.58Å; S163-E166 VanDerWaalsContact CB-OE2 3.26Å; S163-E166 WeakPolarHBondContact CB-OE2 3.02Å; S163-E166 PolarHBondContact N-OE2 2.57Å; S163-E166 PolarHBondContact O-N 3Å; S163-E166 VanDerWaalsContact O-N 3.14Å; S163-E166 VanDerWaalsContact OG-CG 3.25Å; S163-E166 WeakPolarHBondContact OG-CG 3.29Å; S163-E166 PolarHBondContact OG-N 2.96Å; S163-E166 PolarHBondContact OG-OE2 2.83Å; E166-Q168 VanDerWaalsContact C-N 3.31Å; E166-Q168 PolarHBondContact O-N 3.18Å; E166-R169 VanDerWaalsContact CG-NH2 3.35Å; E166-R169 PolarHBondContact O-N 2.71Å; E166-R170 WeakPolarHBondContact O-CB 3.35Å; E166-R170 PolarHBondContact O-N 3.4Å |
| 167 | A | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.6 | -44.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V112 I158 E162 S163 V164 R169 R170 E171 | V112-A167 HydrophobicContact CG1-CB 4.06Å; V112-A167 HydrophobicContact CG2-CB 3.94Å; I158-A167 HydrophobicContact CB-CB 4.33Å; I158-A167 HydrophobicContact CG1-CB 3.76Å; I158-A167 HydrophobicContact CG2-CB 4.35Å; E162-A167 VanDerWaalsContact CD-CA 3.45Å; E162-A167 HydrophobicContact CG-CB 4.2Å; E162-A167 WeakPolarHBondContact OE1-CA 3.18Å; E162-A167 PolarHBondContact OE1-N 3.27Å; E162-A167 VanDerWaalsContact OE2-CB 3.28Å; E162-A167 WeakPolarHBondContact OE2-CB 3.45Å; S163-A167 PolarHBondContact O-N 3.06Å; V164-A167 PolarHBondContact O-N 2.83Å; A167-R169 PolarHBondContact O-N 3.22Å; A167-R170 PolarHBondContact O-N 2.79Å; A167-E171 WeakPolarHBondContact O-CB 3.27Å; A167-E171 VanDerWaalsContact O-CG 3.27Å; A167-E171 WeakPolarHBondContact O-CG 3.33Å; A167-E171 PolarHBondContact O-N 2.95Å |
| 168 | Q | 97.3 | Very high | 94.4 | Very high | 11 Ų | 11 | 36.3 Ų | 36.3 | 5% | 0.051 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59 | -44.6 | 178.1 | -76.5 | 169.5 | -20.9 | 0 | 0 | 112.7 | V112 I114 V164 E166 F172 F198 S225 | V112-Q168 HydrophobicContact CB-CG 3.83Å; V112-Q168 HydrophobicContact CG1-CG 3.9Å; V112-Q168 HydrophobicContact CG2-CG 4.15Å; I114-Q168 HydrophobicContact CG1-CB 4Å; I114-Q168 HydrophobicContact CG1-CG 4Å; V164-Q168 HydrophobicContact CG1-CG 4.39Å; V164-Q168 WeakPolarHBondContact O-CB 3.44Å; V164-Q168 WeakPolarHBondContact O-CG 3.38Å; V164-Q168 PolarHBondContact O-N 2.85Å; E166-Q168 VanDerWaalsContact C-N 3.31Å; E166-Q168 PolarHBondContact O-N 3.18Å; Q168-F172 WeakPolarHBondContact O-CB 3.41Å; Q168-F172 PolarHBondContact O-N 2.92Å; Q168-F172 VanDerWaalsContact O-N 3.13Å; Q168-F198 HydrophobicContact CB-CD1 4.49Å; Q168-F198 HydrophobicContact CB-CE1 4.48Å; Q168-S225 PolarHBondContact NE2-OG 2.94Å |
| 169 | R | 96.1 | Very high | 94 | Very high | 88 Ų | 88 | 36.8 Ų | 36.8 | 33% | 0.332 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67.7 | -45.7 | 178 | -71.5 | -174.3 | -64.7 | -90.3 | 0.3 | 111.3 | A165 E166 A167 L173 I194 F198 | A165-R169 WeakPolarHBondContact O-CG 3.33Å; A165-R169 VanDerWaalsContact O-CZ 3.29Å; A165-R169 PolarHBondContact O-N 2.97Å; A165-R169 PolarHBondContact O-NH1 3.08Å; E166-R169 VanDerWaalsContact CG-NH2 3.35Å; E166-R169 PolarHBondContact O-N 2.71Å; A167-R169 PolarHBondContact O-N 3.22Å; R169-L173 WeakPolarHBondContact O-CB 3.41Å; R169-L173 WeakPolarHBondContact O-CD1 3.47Å; R169-L173 WeakPolarHBondContact O-CG 3.48Å; R169-L173 PolarHBondContact O-N 2.92Å; R169-L173 VanDerWaalsContact O-N 3.08Å; R169-I194 HydrophobicContact CB-CD1 3.86Å; R169-I194 HydrophobicContact CG-CD1 3.98Å; R169-F198 HydrophobicContact CG-CB 4.12Å; R169-F198 HydrophobicContact CG-CD1 3.75Å; R169-F198 HydrophobicContact CG-CG 4.21Å |
| 170 | R | 95.9 | Very high | 93.7 | Very high | 51 Ų | 51 | 38.5 Ų | 38.5 | 19% | 0.192 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.1 | -55.3 | -179.7 | -179.8 | 177.3 | 55.3 | 69.3 | 3.9 | 111 | M157 D159 E162 E166 A167 F172 L173 E174 | M157-R170 PolarHBondContact O-NH2 3.13Å; D159-R170 IonicContact OD2-CZ 2.89Å; D159-R170 IonicContact OD2-NE 2.69Å; D159-R170 IonicContact OD2-NH2 3.72Å; E162-R170 IonicContact OE1-CZ 3.07Å; E162-R170 IonicContact OE1-NE 3.27Å; E162-R170 PolarHBondContact OE1-NE 3.22Å; E162-R170 IonicContact OE1-NH2 3.82Å; E162-R170 PolarHBondContact OE1-NH2 2.85Å; E162-R170 IonicContact OE2-CZ 3.32Å; E162-R170 IonicContact OE2-NE 3.92Å; E162-R170 IonicContact OE2-NH2 2.78Å; E162-R170 PolarHBondContact OE2-NH2 3.32Å; E166-R170 WeakPolarHBondContact O-CB 3.35Å; E166-R170 PolarHBondContact O-N 3.4Å; A167-R170 PolarHBondContact O-N 2.79Å; R170-F172 PolarHBondContact O-N 3.41Å; R170-L173 WeakPolarHBondContact O-CB 3.5Å; R170-L173 PolarHBondContact O-N 3.06Å; R170-E174 WeakPolarHBondContact CG-OE1 3.24Å; R170-E174 WeakPolarHBondContact O-CG 3.46Å; R170-E174 PolarHBondContact O-N 3.19Å |
| 171 | E | 95.8 | Very high | 93.5 | Very high | 16 Ų | 16 | 43.7 Ų | 43.7 | 8% | 0.075 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.7 | -40.1 | -177.1 | -65.7 | -65.5 | 177.8 | 0 | 0 | 112 | V112 I114 G156 M157 A167 L173 E174 E175 | V112-E171 HydrophobicContact CG2-CB 4.43Å; V112-E171 HydrophobicContact CG2-CG 4.14Å; I114-E171 HydrophobicContact CD1-CB 4.08Å; G156-E171 VanDerWaalsContact CA-CD 3.41Å; M157-E171 PolarHBondContact N-OE1 3.04Å; A167-E171 WeakPolarHBondContact O-CB 3.27Å; A167-E171 VanDerWaalsContact O-CG 3.27Å; A167-E171 WeakPolarHBondContact O-CG 3.33Å; A167-E171 PolarHBondContact O-N 2.95Å; E171-L173 PolarHBondContact O-N 2.93Å; E171-E174 PolarHBondContact O-N 2.87Å; E171-E175 WeakPolarHBondContact O-CB 3.42Å; E171-E175 PolarHBondContact O-N 2.86Å |
| 172 | F | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.7 | -41.5 | 176.7 | -172.2 | -99.9 | 0 | 0 | 0 | 112.6 | I114 V116 L141 P154 Q168 R170 E174 A176 L177 I194 F198 F240 | I114-F172 HydrophobicContact CB-CD2 4.1Å; I114-F172 HydrophobicContact CG1-CB 4.39Å; I114-F172 HydrophobicContact CG2-CB 4.19Å; I114-F172 HydrophobicContact CG2-CD2 3.55Å; I114-F172 HydrophobicContact CG2-CE2 4.23Å; I114-F172 HydrophobicContact CG2-CG 4.09Å; V116-F172 HydrophobicContact CB-CE2 4.19Å; V116-F172 HydrophobicContact CB-CZ 4.31Å; V116-F172 HydrophobicContact CG2-CD2 4.16Å; V116-F172 HydrophobicContact CG2-CE1 4.36Å; V116-F172 HydrophobicContact CG2-CE2 3.39Å; V116-F172 HydrophobicContact CG2-CZ 3.52Å; L141-F172 HydrophobicContact CD2-CE2 3.78Å; L141-F172 HydrophobicContact CD2-CZ 3.76Å; P154-F172 HydrophobicContact CB-CD2 4.36Å; Q168-F172 WeakPolarHBondContact O-CB 3.41Å; Q168-F172 PolarHBondContact O-N 2.92Å; Q168-F172 VanDerWaalsContact O-N 3.13Å; R170-F172 PolarHBondContact O-N 3.41Å; F172-E174 VanDerWaalsContact C-N 3.33Å; F172-E174 PolarHBondContact O-N 2.97Å; F172-A176 HydrophobicContact CD2-CB 3.95Å; F172-A176 HydrophobicContact CE1-CB 4.45Å; F172-A176 HydrophobicContact CE2-CB 3.73Å; F172-A176 HydrophobicContact CG-CB 4.4Å; F172-A176 HydrophobicContact CZ-CB 4Å; F172-A176 WeakPolarHBondContact O-CB 3.38Å; F172-A176 PolarHBondContact O-N 3.34Å; F172-L177 HydrophobicContact CD1-CD1 4.01Å; F172-L177 HydrophobicContact CE1-CD1 3.81Å; F172-L177 HydrophobicContact CE1-CG 4.26Å; F172-I194 HydrophobicContact CD1-CG2 4.03Å; F172-I194 HydrophobicContact CE1-CG2 4.06Å; F172-F198 HydrophobicContact CB-CE1 3.92Å; F172-F198 HydrophobicContact CB-CZ 3.8Å; F172-F198 HydrophobicContact CD1-CE1 4.4Å; F172-F198 HydrophobicContact CD1-CE2 4.04Å; F172-F198 AromaticContact CD1-CZ 3.5Å; F172-F198 HydrophobicContact CD1-CZ 3.5Å; F172-F198 HydrophobicContact CD2-CZ 4.06Å; F172-F198 HydrophobicContact CE1-CE2 4.24Å; F172-F198 HydrophobicContact CE1-CZ 4.05Å; F172-F198 HydrophobicContact CG-CE1 4.16Å; F172-F198 HydrophobicContact CG-CE2 4.45Å; F172-F198 AromaticContact CG-CZ 3.5Å; F172-F198 HydrophobicContact CG-CZ 3.5Å; F172-F240 HydrophobicContact CE1-CE1 4.13Å; F172-F240 HydrophobicContact CZ-CD1 4.34Å; F172-F240 AromaticContact CZ-CE1 3.72Å; F172-F240 HydrophobicContact CZ-CE1 3.72Å |
| 173 | L | 93.6 | Very high | 93 | Very high | 11 Ų | 11 | 42.1 Ų | 42.1 | 6% | 0.058 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.2 | -44.9 | 173.9 | -75.9 | 169.4 | 0 | 0 | 0 | 111.1 | R169 R170 E171 L177 N178 Y179 L190 Q191 I194 | R169-L173 WeakPolarHBondContact O-CB 3.41Å; R169-L173 WeakPolarHBondContact O-CD1 3.47Å; R169-L173 WeakPolarHBondContact O-CG 3.48Å; R169-L173 PolarHBondContact O-N 2.92Å; R169-L173 VanDerWaalsContact O-N 3.08Å; R170-L173 WeakPolarHBondContact O-CB 3.5Å; R170-L173 PolarHBondContact O-N 3.06Å; E171-L173 PolarHBondContact O-N 2.93Å; L173-L177 HydrophobicContact CD2-CD1 3.87Å; L173-L177 CarbonylContact O-C 3.59Å; L173-L177 WeakPolarHBondContact O-CA 3.38Å; L173-L177 WeakPolarHBondContact O-CB 3.12Å; L173-L177 PolarHBondContact O-N 3.23Å; L173-N178 PolarHBondContact O-N 2.6Å; L173-Y179 VanDerWaalsContact C-CB 3.47Å; L173-Y179 HydrophobicContact CB-CD1 4.42Å; L173-Y179 HydrophobicContact CB-CD2 4.12Å; L173-Y179 HydrophobicContact CB-CG 3.87Å; L173-Y179 HydrophobicContact CD1-CD2 4.25Å; L173-Y179 HydrophobicContact CD1-CE2 4.23Å; L173-Y179 HydrophobicContact CD2-CD2 3.89Å; L173-Y179 HydrophobicContact CD2-CE2 4.36Å; L173-Y179 HydrophobicContact CD2-CG 4.49Å; L173-Y179 HydrophobicContact CG-CD2 4.31Å; L173-Y179 WeakPolarHBondContact O-CB 3.36Å; L173-Y179 PolarHBondContact O-N 3.33Å; L173-L190 HydrophobicContact CD2-CB 3.79Å; L173-Q191 HydrophobicContact CD1-CG 4.15Å; L173-I194 HydrophobicContact CD1-CD1 3.85Å; L173-I194 HydrophobicContact CD2-CD1 3.93Å; L173-I194 HydrophobicContact CD2-CG1 4.25Å; L173-I194 HydrophobicContact CG-CD1 3.62Å; L173-I194 HydrophobicContact CG-CG1 4.45Å |
| 174 | E | 92.3 | Very high | 93 | Very high | 38 Ų | 38 | 45.5 Ų | 45.5 | 18% | 0.178 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70 | -47.1 | -176.8 | -70.3 | -173.4 | -150.6 | 0 | 0 | 113.2 | R170 E171 F172 Q180 G243 | R170-E174 WeakPolarHBondContact CG-OE1 3.24Å; R170-E174 WeakPolarHBondContact O-CG 3.46Å; R170-E174 PolarHBondContact O-N 3.19Å; E171-E174 PolarHBondContact O-N 2.87Å; F172-E174 VanDerWaalsContact C-N 3.33Å; F172-E174 PolarHBondContact O-N 2.97Å; E174-Q180 HydrophobicContact CG-CG 4.19Å; E174-Q180 PolarHBondContact OE2-NE2 2.6Å; E174-G243 CarbonylContact O-C 3.47Å; E174-G243 WeakPolarHBondContact O-CA 3.46Å |
| 175 | E | 87.4 | Confident | 92.9 | Very high | 10 Ų | 10 | 49.3 Ų | 49.3 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -84.8 | -40.5 | -174.2 | -66.6 | -153.3 | 141 | 0 | 0 | 113.9 | P154 G155 E171 G243 | P154-E175 VanDerWaalsContact CA-OE2 3.3Å; P154-E175 WeakPolarHBondContact CA-OE2 3.36Å; G155-E175 PolarHBondContact N-OE2 3.19Å; G155-E175 VanDerWaalsContact O-OE1 3.06Å; G155-E175 VanDerWaalsContact O-OE2 3.06Å; E171-E175 WeakPolarHBondContact O-CB 3.42Å; E171-E175 PolarHBondContact O-N 2.86Å; E175-G243 PolarHBondContact O-N 3.09Å |
| 176 | A | 89.1 | Confident | 92.8 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -103.5 | -13.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L141 F172 C241 V249 | L141-A176 HydrophobicContact CD2-CB 3.88Å; F172-A176 HydrophobicContact CD2-CB 3.95Å; F172-A176 HydrophobicContact CE1-CB 4.45Å; F172-A176 HydrophobicContact CE2-CB 3.73Å; F172-A176 HydrophobicContact CG-CB 4.4Å; F172-A176 HydrophobicContact CZ-CB 4Å; F172-A176 WeakPolarHBondContact O-CB 3.38Å; F172-A176 PolarHBondContact O-N 3.34Å; A176-C241 CarbonylContact C-O 3.52Å; A176-C241 PolarHBondContact O-N 3.34Å; A176-C241 VanDerWaalsContact O-N 3.13Å; A176-C241 VanDerWaalsContact O-O 3.06Å; A176-V249 HydrophobicContact CB-CG2 4.37Å |
| 177 | L | 89.7 | Confident | 92.7 | Very high | 9 Ų | 9 | 50.8 Ų | 50.8 | 5% | 0.047 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -127.6 | 9.5 | -177.5 | -64.6 | 169.4 | 0 | 0 | 0 | 113.6 | F172 L173 Y179 L190 I194 T238 F240 C241 | F172-L177 HydrophobicContact CD1-CD1 4.01Å; F172-L177 HydrophobicContact CE1-CD1 3.81Å; F172-L177 HydrophobicContact CE1-CG 4.26Å; L173-L177 HydrophobicContact CD2-CD1 3.87Å; L173-L177 CarbonylContact O-C 3.59Å; L173-L177 WeakPolarHBondContact O-CA 3.38Å; L173-L177 WeakPolarHBondContact O-CB 3.12Å; L173-L177 PolarHBondContact O-N 3.23Å; L177-Y179 PolarHBondContact O-N 3.36Å; L177-L190 HydrophobicContact CB-CD1 4.25Å; L177-L190 HydrophobicContact CB-CD2 4.14Å; L177-L190 HydrophobicContact CD1-CD2 4.21Å; L177-L190 HydrophobicContact CD2-CD2 4.07Å; L177-L190 HydrophobicContact CG-CD2 4.37Å; L177-I194 HydrophobicContact CD1-CG2 3.84Å; L177-T238 HydrophobicContact CD2-CG2 4.13Å; L177-F240 HydrophobicContact CD2-CD1 3.55Å; L177-F240 HydrophobicContact CD2-CE1 3.98Å; L177-F240 HydrophobicContact CG-CD1 4.29Å; L177-C241 CarbonylContact C-O 3.56Å; L177-C241 WeakPolarHBondContact CA-O 3.47Å; L177-C241 PolarHBondContact N-O 3Å |
| 178 | N | 86.5 | Confident | 92.5 | Very high | 34 Ų | 34 | 56.6 Ų | 56.6 | 18% | 0.182 | 27% | 0.266 | C | S | . | . | trans | 48.3 | 36.5 | 177.3 | -168 | 24.1 | 0 | 0 | 0 | 113.5 | L173 Q180 K181 C241 | L173-N178 PolarHBondContact O-N 2.6Å; N178-Q180 PolarHBondContact O-N 2.61Å; N178-Q180 VanDerWaalsContact O-N 3.09Å; N178-K181 PolarHBondContact O-N 2.89Å; N178-K181 VanDerWaalsContact O-N 3.07Å; N178-K181 WeakPolarHBondContact OD1-CD 3.42Å; N178-C241 HydrophobicContact CB-CB 4.23Å; N178-C241 PolarHBondContact N-O 3.32Å; N178-C241 VanDerWaalsContact N-O 3.09Å | ||
| 179 | Y | 90.1 | Very high | 92.3 | Very high | 43 Ų | 43 | 63.2 Ų | 63.2 | 17% | 0.169 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -56.5 | -33.5 | -168.9 | -178.5 | -100.7 | 0 | 0 | 0 | 113.6 | L173 L177 K181 A182 K187 L190 Q191 | L173-Y179 VanDerWaalsContact C-CB 3.47Å; L173-Y179 HydrophobicContact CB-CD1 4.42Å; L173-Y179 HydrophobicContact CB-CD2 4.12Å; L173-Y179 HydrophobicContact CB-CG 3.87Å; L173-Y179 HydrophobicContact CD1-CD2 4.25Å; L173-Y179 HydrophobicContact CD1-CE2 4.23Å; L173-Y179 HydrophobicContact CD2-CD2 3.89Å; L173-Y179 HydrophobicContact CD2-CE2 4.36Å; L173-Y179 HydrophobicContact CD2-CG 4.49Å; L173-Y179 HydrophobicContact CG-CD2 4.31Å; L173-Y179 WeakPolarHBondContact O-CB 3.36Å; L173-Y179 PolarHBondContact O-N 3.33Å; L177-Y179 PolarHBondContact O-N 3.36Å; Y179-K181 VanDerWaalsContact C-N 3.27Å; Y179-K181 PolarHBondContact O-N 3.03Å; Y179-A182 WeakPolarHBondContact O-CB 3.38Å; Y179-A182 PolarHBondContact O-N 2.94Å; Y179-K187 HydrophobicContact CD2-CB 4.21Å; Y179-K187 HydrophobicContact CD2-CG 3.83Å; Y179-K187 HydrophobicContact CE1-CD 4.06Å; Y179-K187 HydrophobicContact CE1-CG 4.15Å; Y179-K187 VanDerWaalsContact CE2-CA 3.48Å; Y179-K187 HydrophobicContact CE2-CB 3.42Å; Y179-K187 VanDerWaalsContact CE2-CB 3.42Å; Y179-K187 HydrophobicContact CE2-CD 4.21Å; Y179-K187 HydrophobicContact CE2-CG 3.43Å; Y179-K187 VanDerWaalsContact CE2-CG 3.43Å; Y179-K187 HydrophobicContact CG-CG 4.35Å; Y179-K187 WeakPolarHBondContact O-CE 3.49Å; Y179-L190 HydrophobicContact CD2-CB 4.18Å; Y179-L190 HydrophobicContact CD2-CD1 4Å; Y179-Q191 HydrophobicContact CE2-CG 3.91Å; Y179-Q191 VanDerWaalsContact OH-CD 3.27Å; Y179-Q191 PolarHBondContact OH-NE2 3.09Å; Y179-Q191 VanDerWaalsContact OH-NE2 3.09Å |
| 180 | Q | 90.1 | Very high | 92.1 | Very high | 115 Ų | 115 | 60.5 Ų | 60.5 | 54% | 0.537 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -60.6 | -35.3 | -179.6 | -65.1 | -173.6 | -2.4 | 0 | 0 | 113 | E174 N178 | E174-Q180 HydrophobicContact CG-CG 4.19Å; E174-Q180 PolarHBondContact OE2-NE2 2.6Å; N178-Q180 PolarHBondContact O-N 2.61Å; N178-Q180 VanDerWaalsContact O-N 3.09Å |
| 181 | K | 89.9 | Confident | 92 | Very high | 174 Ų | 174 | 62.6 Ų | 62.6 | 76% | 0.757 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -90.7 | -6.8 | -178.5 | -65.5 | -175.1 | -178.8 | 172.2 | 0 | 113.9 | N178 Y179 | N178-K181 PolarHBondContact O-N 2.89Å; N178-K181 VanDerWaalsContact O-N 3.07Å; N178-K181 WeakPolarHBondContact OD1-CD 3.42Å; Y179-K181 VanDerWaalsContact C-N 3.27Å; Y179-K181 PolarHBondContact O-N 3.03Å |
| 182 | A | 90.1 | Very high | 91.9 | Very high | 17 Ų | 17 | 69.4 Ų | 69.4 | 14% | 0.14 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -72.8 | 149.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y179 E186 K187 L190 | Y179-A182 WeakPolarHBondContact O-CB 3.38Å; Y179-A182 PolarHBondContact O-N 2.94Å; A182-E186 HydrophobicContact CB-CB 3.83Å; A182-K187 HydrophobicContact CB-CG 3.95Å; A182-K187 WeakPolarHBondContact O-CE 3.46Å; A182-L190 HydrophobicContact CB-CD1 4.17Å |
| 183 | S | 93.4 | Very high | 91.7 | Very high | 46 Ų | 46 | 72.2 Ų | 72.2 | 32% | 0.322 | 34% | 0.342 | S | S | . | . | trans | -61.8 | 166 | 170.5 | 96.3 | 0 | 0 | 0 | 0 | 111.4 | E185 E186 K187 | S183-E185 VanDerWaalsContact C-N 3.3Å; S183-E185 PolarHBondContact O-N 2.96Å; S183-E185 PolarHBondContact OG-N 3.31Å; S183-E185 PolarHBondContact OG-OE2 2.82Å; S183-E186 PolarHBondContact N-OE2 2.93Å; S183-E186 PolarHBondContact O-N 2.74Å; S183-E186 PolarHBondContact OG-N 3.04Å; S183-E186 VanDerWaalsContact OG-N 3.15Å; S183-K187 WeakPolarHBondContact O-CB 3.46Å; S183-K187 VanDerWaalsContact O-CG 3.27Å; S183-K187 WeakPolarHBondContact O-CG 3.36Å; S183-K187 PolarHBondContact O-N 2.88Å | ||
| 184 | I | 94.5 | Very high | 91.6 | Very high | 126 Ų | 126 | 71.8 Ų | 71.8 | 65% | 0.646 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -59.8 | -43 | 177.3 | -65.4 | 170 | 0 | 0 | 0 | 110.9 | K187 Q188 | I184-K187 PolarHBondContact O-N 2.99Å; I184-Q188 WeakPolarHBondContact O-CG 3.39Å; I184-Q188 PolarHBondContact O-N 2.96Å |
| 185 | E | 95.3 | Very high | 91.6 | Very high | 117 Ų | 117 | 75.1 Ų | 75.1 | 55% | 0.547 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.7 | -39.8 | 177.8 | -57.3 | 78.8 | -170.1 | 0 | 0 | 111.9 | S183 Q188 K189 | S183-E185 VanDerWaalsContact C-N 3.3Å; S183-E185 PolarHBondContact O-N 2.96Å; S183-E185 PolarHBondContact OG-N 3.31Å; S183-E185 PolarHBondContact OG-OE2 2.82Å; E185-Q188 PolarHBondContact O-N 2.91Å; E185-K189 WeakPolarHBondContact O-CG 3.39Å; E185-K189 PolarHBondContact O-N 3.13Å; E185-K189 VanDerWaalsContact O-N 3.16Å |
| 186 | E | 92.6 | Very high | 91.8 | Very high | 99 Ų | 99 | 79.2 Ų | 79.2 | 46% | 0.463 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 175.9 | -70.7 | 176.2 | 138.4 | 0 | 0 | 111.2 | A182 S183 Q188 K189 L190 | A182-E186 HydrophobicContact CB-CB 3.83Å; S183-E186 PolarHBondContact N-OE2 2.93Å; S183-E186 PolarHBondContact O-N 2.74Å; S183-E186 PolarHBondContact OG-N 3.04Å; S183-E186 VanDerWaalsContact OG-N 3.15Å; E186-Q188 VanDerWaalsContact C-N 3.32Å; E186-Q188 PolarHBondContact O-N 2.79Å; E186-K189 WeakPolarHBondContact O-CB 3.2Å; E186-K189 PolarHBondContact O-N 2.81Å; E186-K189 VanDerWaalsContact O-N 3.11Å; E186-L190 VanDerWaalsContact O-CG 3.32Å; E186-L190 WeakPolarHBondContact O-CG 3.37Å; E186-L190 PolarHBondContact O-N 2.68Å |
| 187 | K | 93.9 | Very high | 91.9 | Very high | 61 Ų | 61 | 81.2 Ų | 81.2 | 27% | 0.265 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -55.7 | -46.5 | 175.2 | -76.7 | -179.6 | 174.3 | 172.6 | 0 | 111.8 | Y179 A182 S183 I184 K189 L190 Q191 | Y179-K187 HydrophobicContact CD2-CB 4.21Å; Y179-K187 HydrophobicContact CD2-CG 3.83Å; Y179-K187 HydrophobicContact CE1-CD 4.06Å; Y179-K187 HydrophobicContact CE1-CG 4.15Å; Y179-K187 VanDerWaalsContact CE2-CA 3.48Å; Y179-K187 HydrophobicContact CE2-CB 3.42Å; Y179-K187 VanDerWaalsContact CE2-CB 3.42Å; Y179-K187 HydrophobicContact CE2-CD 4.21Å; Y179-K187 HydrophobicContact CE2-CG 3.43Å; Y179-K187 VanDerWaalsContact CE2-CG 3.43Å; Y179-K187 HydrophobicContact CG-CG 4.35Å; Y179-K187 WeakPolarHBondContact O-CE 3.49Å; A182-K187 HydrophobicContact CB-CG 3.95Å; A182-K187 WeakPolarHBondContact O-CE 3.46Å; S183-K187 WeakPolarHBondContact O-CB 3.46Å; S183-K187 VanDerWaalsContact O-CG 3.27Å; S183-K187 WeakPolarHBondContact O-CG 3.36Å; S183-K187 PolarHBondContact O-N 2.88Å; I184-K187 PolarHBondContact O-N 2.99Å; K187-K189 VanDerWaalsContact C-N 3.34Å; K187-K189 PolarHBondContact O-N 3.06Å; K187-L190 PolarHBondContact O-N 3.1Å; K187-Q191 WeakPolarHBondContact O-CG 3.26Å; K187-Q191 PolarHBondContact O-N 3.06Å |
| 188 | Q | 94.9 | Very high | 92.1 | Very high | 123 Ų | 123 | 81.4 Ų | 81.4 | 58% | 0.575 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.5 | -41 | 176.6 | -69.8 | 175 | -6.6 | 0 | 0 | 112.3 | I184 E185 E186 K192 | I184-Q188 WeakPolarHBondContact O-CG 3.39Å; I184-Q188 PolarHBondContact O-N 2.96Å; E185-Q188 PolarHBondContact O-N 2.91Å; E186-Q188 VanDerWaalsContact C-N 3.32Å; E186-Q188 PolarHBondContact O-N 2.79Å; Q188-K192 WeakPolarHBondContact O-CB 3.28Å; Q188-K192 PolarHBondContact O-N 3.29Å; Q188-K192 VanDerWaalsContact O-N 3.08Å |
| 189 | K | 92.8 | Very high | 92.3 | Very high | 149 Ų | 149 | 86.2 Ų | 86.2 | 65% | 0.648 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -63.9 | -44.4 | 176.1 | -69.9 | 173.7 | -175.2 | 175.5 | 0 | 111.8 | E185 E186 K187 K192 L193 | E185-K189 WeakPolarHBondContact O-CG 3.39Å; E185-K189 PolarHBondContact O-N 3.13Å; E185-K189 VanDerWaalsContact O-N 3.16Å; E186-K189 WeakPolarHBondContact O-CB 3.2Å; E186-K189 PolarHBondContact O-N 2.81Å; E186-K189 VanDerWaalsContact O-N 3.11Å; K187-K189 VanDerWaalsContact C-N 3.34Å; K187-K189 PolarHBondContact O-N 3.06Å; K189-K192 PolarHBondContact O-N 2.88Å; K189-L193 WeakPolarHBondContact O-CB 2.89Å; K189-L193 PolarHBondContact O-N 2.81Å |
| 190 | L | 92.5 | Very high | 92.1 | Very high | 31 Ų | 31 | 89.1 Ų | 89.1 | 16% | 0.162 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -66 | -41.2 | 179.2 | -67.7 | 175.2 | 0 | 0 | 0 | 112.1 | L173 L177 Y179 A182 E186 K187 L193 I194 | L173-L190 HydrophobicContact CD2-CB 3.79Å; L177-L190 HydrophobicContact CB-CD1 4.25Å; L177-L190 HydrophobicContact CB-CD2 4.14Å; L177-L190 HydrophobicContact CD1-CD2 4.21Å; L177-L190 HydrophobicContact CD2-CD2 4.07Å; L177-L190 HydrophobicContact CG-CD2 4.37Å; Y179-L190 HydrophobicContact CD2-CB 4.18Å; Y179-L190 HydrophobicContact CD2-CD1 4Å; A182-L190 HydrophobicContact CB-CD1 4.17Å; E186-L190 VanDerWaalsContact O-CG 3.32Å; E186-L190 WeakPolarHBondContact O-CG 3.37Å; E186-L190 PolarHBondContact O-N 2.68Å; K187-L190 PolarHBondContact O-N 3.1Å; L190-L193 HydrophobicContact CD2-CD2 4.44Å; L190-L193 WeakPolarHBondContact O-CB 3.34Å; L190-L193 PolarHBondContact O-N 2.84Å; L190-I194 PolarHBondContact O-N 2.9Å |
| 191 | Q | 93.6 | Very high | 92.2 | Very high | 96 Ų | 96 | 85.3 Ų | 85.3 | 45% | 0.449 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.7 | -47.5 | 173.9 | -75.2 | 177.1 | -41.5 | 0 | 0 | 111.3 | L173 Y179 K187 L193 I194 E195 | L173-Q191 HydrophobicContact CD1-CG 4.15Å; Y179-Q191 HydrophobicContact CE2-CG 3.91Å; Y179-Q191 VanDerWaalsContact OH-CD 3.27Å; Y179-Q191 PolarHBondContact OH-NE2 3.09Å; Y179-Q191 VanDerWaalsContact OH-NE2 3.09Å; K187-Q191 WeakPolarHBondContact O-CG 3.26Å; K187-Q191 PolarHBondContact O-N 3.06Å; Q191-L193 VanDerWaalsContact C-N 3.32Å; Q191-L193 PolarHBondContact O-N 2.91Å; Q191-I194 WeakPolarHBondContact O-CG1 3.35Å; Q191-I194 PolarHBondContact O-N 2.94Å; Q191-E195 PolarHBondContact O-N 3.47Å; Q191-E195 VanDerWaalsContact O-N 3.08Å |
| 192 | K | 92.5 | Very high | 92.5 | Very high | 158 Ų | 158 | 81.4 Ų | 81.4 | 69% | 0.687 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -65.1 | -35.1 | 178.4 | -169.1 | 173.1 | -175.5 | 176.3 | 0 | 112.8 | Q188 K189 I194 E195 | Q188-K192 WeakPolarHBondContact O-CB 3.28Å; Q188-K192 PolarHBondContact O-N 3.29Å; Q188-K192 VanDerWaalsContact O-N 3.08Å; K189-K192 PolarHBondContact O-N 2.88Å; K192-I194 VanDerWaalsContact C-N 3.31Å; K192-I194 PolarHBondContact O-N 3.37Å; K192-E195 PolarHBondContact O-N 3Å |
| 193 | L | 90.9 | Very high | 92.9 | Very high | 59 Ų | 59 | 84.9 Ų | 84.9 | 31% | 0.309 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -58.7 | -42.5 | 177.2 | 174.1 | 68.3 | 0 | 0 | 0 | 111.9 | K189 L190 Q191 P197 L235 T238 | K189-L193 WeakPolarHBondContact O-CB 2.89Å; K189-L193 PolarHBondContact O-N 2.81Å; L190-L193 HydrophobicContact CD2-CD2 4.44Å; L190-L193 WeakPolarHBondContact O-CB 3.34Å; L190-L193 PolarHBondContact O-N 2.84Å; Q191-L193 VanDerWaalsContact C-N 3.32Å; Q191-L193 PolarHBondContact O-N 2.91Å; L193-P197 WeakPolarHBondContact O-CD 3.2Å; L193-L235 HydrophobicContact CD1-CD2 4.34Å; L193-L235 HydrophobicContact CD2-CD2 4.44Å; L193-L235 HydrophobicContact CG-CD2 4.03Å; L193-T238 HydrophobicContact CD2-CG2 3.58Å |
| 194 | I | 92.4 | Very high | 93.1 | Very high | 3 Ų | 3 | 83.4 Ų | 83.4 | 2% | 0.015 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -91.8 | -14.1 | -176.5 | 69.3 | 157.2 | 0 | 0 | 0 | 113.6 | R169 F172 L173 L177 L190 Q191 K192 V196 P197 F198 L235 | R169-I194 HydrophobicContact CB-CD1 3.86Å; R169-I194 HydrophobicContact CG-CD1 3.98Å; F172-I194 HydrophobicContact CD1-CG2 4.03Å; F172-I194 HydrophobicContact CE1-CG2 4.06Å; L173-I194 HydrophobicContact CD1-CD1 3.85Å; L173-I194 HydrophobicContact CD2-CD1 3.93Å; L173-I194 HydrophobicContact CD2-CG1 4.25Å; L173-I194 HydrophobicContact CG-CD1 3.62Å; L173-I194 HydrophobicContact CG-CG1 4.45Å; L177-I194 HydrophobicContact CD1-CG2 3.84Å; L190-I194 PolarHBondContact O-N 2.9Å; Q191-I194 WeakPolarHBondContact O-CG1 3.35Å; Q191-I194 PolarHBondContact O-N 2.94Å; K192-I194 VanDerWaalsContact C-N 3.31Å; K192-I194 PolarHBondContact O-N 3.37Å; I194-V196 PolarHBondContact O-N 3.38Å; I194-P197 WeakPolarHBondContact O-CD 3.08Å; I194-F198 HydrophobicContact CB-CD2 3.8Å; I194-F198 HydrophobicContact CB-CE2 3.96Å; I194-F198 HydrophobicContact CB-CG 4.42Å; I194-F198 HydrophobicContact CG2-CE2 4.21Å; I194-F198 VanDerWaalsContact O-CB 3.28Å; I194-F198 WeakPolarHBondContact O-CB 3.47Å; I194-F198 VanDerWaalsContact O-CD2 3.31Å; I194-F198 WeakPolarHBondContact O-CD2 3.35Å; I194-F198 PolarHBondContact O-N 3.29Å; I194-L235 HydrophobicContact CG2-CD2 4.3Å |
| 195 | E | 91.9 | Very high | 93.2 | Very high | 108 Ų | 108 | 79.3 Ų | 79.3 | 51% | 0.505 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -52.8 | -55.5 | -172.9 | -177.2 | 177.3 | -164.2 | 0 | 0 | 113 | Q191 K192 Q199 | Q191-E195 PolarHBondContact O-N 3.47Å; Q191-E195 VanDerWaalsContact O-N 3.08Å; K192-E195 PolarHBondContact O-N 3Å; E195-Q199 WeakPolarHBondContact O-CG 3.28Å |
| 196 | V | 92.1 | Very high | 93.3 | Very high | 96 Ų | 96 | 78.5 Ų | 78.5 | 58% | 0.582 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -48.4 | -179 | 174.3 | 0 | 0 | 0 | 0 | 112 | I194 F198 Q199 | I194-V196 PolarHBondContact O-N 3.38Å; V196-F198 PolarHBondContact O-N 3.14Å; V196-F198 VanDerWaalsContact O-N 3.14Å; V196-Q199 WeakPolarHBondContact O-CB 3.46Å; V196-Q199 PolarHBondContact O-N 3.21Å |
| 197 | P | 91.1 | Very high | 93.5 | Very high | 41 Ų | 41 | 74 Ų | 74 | 27% | 0.266 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -55.8 | -33.4 | 178.9 | -27.3 | 35.2 | 0 | 0 | 0 | 113.5 | L193 I194 Q199 F227 L235 | L193-P197 WeakPolarHBondContact O-CD 3.2Å; I194-P197 WeakPolarHBondContact O-CD 3.08Å; P197-Q199 VanDerWaalsContact C-N 3.28Å; P197-Q199 PolarHBondContact O-N 3.32Å; P197-F227 VanDerWaalsContact O-CD1 3.32Å; P197-F227 WeakPolarHBondContact O-CD1 3.32Å; P197-L235 HydrophobicContact CB-CD1 3.62Å; P197-L235 HydrophobicContact CB-CG 4.02Å; P197-L235 HydrophobicContact CG-CD1 4.15Å; P197-L235 HydrophobicContact CG-CD2 4.42Å; P197-L235 HydrophobicContact CG-CG 3.99Å |
| 198 | F | 93.9 | Very high | 93.6 | Very high | 13 Ų | 13 | 71.3 Ų | 71.3 | 6% | 0.057 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -82.8 | 2.5 | -178 | -79 | -124.6 | 0 | 0 | 0 | 114.2 | I114 V116 Q168 R169 F172 I194 V196 F227 L235 | I114-F198 HydrophobicContact CG2-CE1 3.8Å; I114-F198 HydrophobicContact CG2-CZ 3.69Å; V116-F198 HydrophobicContact CG2-CE2 4.33Å; V116-F198 HydrophobicContact CG2-CZ 4.29Å; Q168-F198 HydrophobicContact CB-CD1 4.49Å; Q168-F198 HydrophobicContact CB-CE1 4.48Å; R169-F198 HydrophobicContact CG-CB 4.12Å; R169-F198 HydrophobicContact CG-CD1 3.75Å; R169-F198 HydrophobicContact CG-CG 4.21Å; F172-F198 HydrophobicContact CB-CE1 3.92Å; F172-F198 HydrophobicContact CB-CZ 3.8Å; F172-F198 HydrophobicContact CD1-CE1 4.4Å; F172-F198 HydrophobicContact CD1-CE2 4.04Å; F172-F198 AromaticContact CD1-CZ 3.5Å; F172-F198 HydrophobicContact CD1-CZ 3.5Å; F172-F198 HydrophobicContact CD2-CZ 4.06Å; F172-F198 HydrophobicContact CE1-CE2 4.24Å; F172-F198 HydrophobicContact CE1-CZ 4.05Å; F172-F198 HydrophobicContact CG-CE1 4.16Å; F172-F198 HydrophobicContact CG-CE2 4.45Å; F172-F198 AromaticContact CG-CZ 3.5Å; F172-F198 HydrophobicContact CG-CZ 3.5Å; I194-F198 HydrophobicContact CB-CD2 3.8Å; I194-F198 HydrophobicContact CB-CE2 3.96Å; I194-F198 HydrophobicContact CB-CG 4.42Å; I194-F198 HydrophobicContact CG2-CE2 4.21Å; I194-F198 VanDerWaalsContact O-CB 3.28Å; I194-F198 WeakPolarHBondContact O-CB 3.47Å; I194-F198 VanDerWaalsContact O-CD2 3.31Å; I194-F198 WeakPolarHBondContact O-CD2 3.35Å; I194-F198 PolarHBondContact O-N 3.29Å; V196-F198 PolarHBondContact O-N 3.14Å; V196-F198 VanDerWaalsContact O-N 3.14Å; F198-F227 VanDerWaalsContact CA-CE1 3.49Å; F198-F227 HydrophobicContact CB-CD1 4.36Å; F198-F227 HydrophobicContact CB-CE1 4.01Å; F198-F227 HydrophobicContact CB-CZ 4.47Å; F198-F227 HydrophobicContact CD1-CD2 4.35Å; F198-F227 HydrophobicContact CD1-CE1 4.11Å; F198-F227 AromaticContact CD1-CE2 3.91Å; F198-F227 HydrophobicContact CD1-CE2 3.91Å; F198-F227 AromaticContact CD1-CZ 3.76Å; F198-F227 HydrophobicContact CD1-CZ 3.76Å; F198-F227 HydrophobicContact CD2-CD1 4.42Å; F198-F227 HydrophobicContact CD2-CG 4.37Å; F198-F227 HydrophobicContact CE1-CD2 4.15Å; F198-F227 AromaticContact CE1-CE2 3.86Å; F198-F227 HydrophobicContact CE1-CE2 3.86Å; F198-F227 HydrophobicContact CE1-CZ 4.2Å; F198-F227 HydrophobicContact CE2-CD2 4.44Å; F198-F227 HydrophobicContact CE2-CG 4.45Å; F198-F227 HydrophobicContact CG-CD1 4.21Å; F198-F227 HydrophobicContact CG-CE1 4.04Å; F198-F227 HydrophobicContact CG-CE2 4.46Å; F198-F227 HydrophobicContact CG-CG 4.46Å; F198-F227 HydrophobicContact CG-CZ 4.17Å; F198-F227 HydrophobicContact CZ-CD2 4.18Å; F198-F227 HydrophobicContact CZ-CE2 4.36Å; F198-F227 WeakPolarHBondContact O-CE1 3.43Å; F198-L235 HydrophobicContact CE2-CD1 3.98Å |
| 199 | Q | 90.6 | Very high | 93.7 | Very high | 135 Ų | 135 | 65.8 Ų | 65.8 | 63% | 0.631 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -81.8 | -20.8 | 174.8 | -71.2 | 172.3 | 7.7 | 0 | 0 | 113.6 | E195 V196 P197 | E195-Q199 WeakPolarHBondContact O-CG 3.28Å; V196-Q199 WeakPolarHBondContact O-CB 3.46Å; V196-Q199 PolarHBondContact O-N 3.21Å; P197-Q199 VanDerWaalsContact C-N 3.28Å; P197-Q199 PolarHBondContact O-N 3.32Å |
| 200 | T | 85.1 | Confident | 93.7 | Very high | 105 Ų | 105 | 59.4 Ų | 59.4 | 64% | 0.644 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -115.2 | 21.8 | -168.4 | 57.1 | 0 | 0 | 0 | 0 | 113.8 | I202 | T200-I202 PolarHBondContact O-N 3.46Š|
| 201 | G | 92.8 | Very high | 93.8 | Very high | 34 Ų | 34 | 58 Ų | 58 | 35% | 0.351 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 132.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | N226 F227 | G201-N226 WeakPolarHBondContact CA-O 3.5Å; G201-F227 VanDerWaalsContact CA-CD1 3.41Å |
| 202 | I | 96.3 | Very high | 93.9 | Very high | 93 Ų | 93 | 55.7 Ų | 55.7 | 48% | 0.477 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 129.2 | 172.9 | -63.2 | 167.5 | 0 | 0 | 0 | 108.7 | T200 V204 S225 N226 | T200-I202 PolarHBondContact O-N 3.46Å; I202-V204 PolarHBondContact O-N 2.95Å; I202-S225 CarbonylContact O-C 3.53Å; I202-S225 VanDerWaalsContact O-CA 3.3Å; I202-S225 WeakPolarHBondContact O-CA 3.44Å; I202-N226 PolarHBondContact N-O 2.86Å; I202-N226 PolarHBondContact O-N 3.23Å |
| 203 | E | 97.5 | Very high | 94.1 | Very high | 90 Ų | 90 | 51.3 Ų | 51.3 | 42% | 0.421 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 118.2 | 172.1 | -177.7 | 171.4 | 125.2 | 0 | 0 | 110.6 | R206 V223 | E203-R206 VanDerWaalsContact CD-NE 3.29Å; E203-R206 HydrophobicContact CG-CB 4.43Å; E203-R206 WeakPolarHBondContact OE1-CB 3.37Å; E203-R206 IonicContact OE1-NE 3.81Å; E203-R206 PolarHBondContact OE1-NE 3.29Å; E203-R206 IonicContact OE2-CZ 3.43Å; E203-R206 IonicContact OE2-NE 3.68Å; E203-R206 PolarHBondContact OE2-NE 2.83Å; E203-R206 IonicContact OE2-NH2 3.25Å; E203-R206 PolarHBondContact OE2-NH2 2.72Å; E203-V223 HydrophobicContact CG-CG1 4.32Å |
| 204 | V | 97.8 | Very high | 94.4 | Very high | 15 Ų | 15 | 48.5 Ų | 48.5 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -38.4 | 176.8 | 176.6 | 0 | 0 | 0 | 0 | 110.6 | L115 I202 A224 N226 I267 K270 L271 I274 | L115-V204 HydrophobicContact CD1-CB 4.06Å; L115-V204 HydrophobicContact CD1-CG1 4.14Å; L115-V204 HydrophobicContact CD1-CG2 3.8Å; I202-V204 PolarHBondContact O-N 2.95Å; V204-A224 PolarHBondContact N-O 3.37Å; V204-N226 HydrophobicContact CG2-CB 3.47Å; V204-N226 VanDerWaalsContact CG2-CB 3.47Å; V204-I267 HydrophobicContact CG1-CG2 4.34Å; V204-K270 HydrophobicContact CG1-CB 3.62Å; V204-L271 HydrophobicContact CG1-CB 4.32Å; V204-L271 HydrophobicContact CG2-CD1 4.26Å; V204-I274 HydrophobicContact CB-CD1 4.08Å; V204-I274 HydrophobicContact CG1-CD1 3.97Å; V204-I274 HydrophobicContact CG2-CD1 3.8Å |
| 205 | Y | 97.5 | Very high | 94.7 | Very high | 40 Ų | 40 | 48.4 Ų | 48.4 | 16% | 0.157 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 146.5 | -177.5 | 179.4 | -112 | 0 | 0 | 0 | 111.3 | Y208 T222 V223 A224 I267 K270 | Y205-Y208 PolarHBondContact OH-N 2.78Å; Y205-Y208 PolarHBondContact OH-O 3.01Å; Y205-T222 HydrophobicContact CD1-CG2 3.78Å; Y205-T222 HydrophobicContact CE1-CG2 4Å; Y205-V223 CarbonylContact O-C 3.53Å; Y205-V223 WeakPolarHBondContact O-CA 3.44Å; Y205-A224 PolarHBondContact N-O 2.85Å; Y205-A224 PolarHBondContact O-N 3.09Å; Y205-I267 HydrophobicContact CD1-CD1 4.07Å; Y205-I267 HydrophobicContact CD1-CG1 3.94Å; Y205-I267 HydrophobicContact CG-CG1 4.26Å; Y205-K270 HydrophobicContact CD2-CD 4.02Å; Y205-K270 HydrophobicContact CG-CD 4.38Å |
| 206 | R | 96.9 | Very high | 95 | Very high | 100 Ų | 100 | 43.3 Ų | 43.3 | 38% | 0.377 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 123.5 | 171.2 | 175.2 | -175.4 | -64 | -91.9 | 4.9 | 108.1 | R77 E203 T222 V223 | R77-R206 HydrophobicContact CB-CG 4.2Å; R77-R206 HydrophobicContact CG-CG 4.08Å; E203-R206 VanDerWaalsContact CD-NE 3.29Å; E203-R206 HydrophobicContact CG-CB 4.43Å; E203-R206 WeakPolarHBondContact OE1-CB 3.37Å; E203-R206 IonicContact OE1-NE 3.81Å; E203-R206 PolarHBondContact OE1-NE 3.29Å; E203-R206 IonicContact OE2-CZ 3.43Å; E203-R206 IonicContact OE2-NE 3.68Å; E203-R206 PolarHBondContact OE2-NE 2.83Å; E203-R206 IonicContact OE2-NH2 3.25Å; E203-R206 PolarHBondContact OE2-NH2 2.72Å; R206-T222 WeakPolarHBondContact CA-O 3.31Å; R206-V223 HydrophobicContact CG-CG2 4.21Å; R206-V223 VanDerWaalsContact NH1-CG2 3.27Å |
| 207 | G | 96.6 | Very high | 95.3 | Very high | 4 Ų | 4 | 39 Ų | 39 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 154.5 | -163.2 | 180 | 0 | 0 | 0 | 0 | 0 | 114.6 | E221 T222 | G207-E221 CarbonylContact O-C 3.56Å; G207-E221 WeakPolarHBondContact O-CA 3.26Å; G207-E221 WeakPolarHBondContact O-CB 3.41Å; G207-T222 PolarHBondContact N-O 3.48Å; G207-T222 VanDerWaalsContact N-O 3.09Å; G207-T222 PolarHBondContact O-N 3.18Å |
| 208 | Y | 96.8 | Very high | 95.7 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 2% | 0.02 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 143.6 | 178.3 | -169.5 | -85 | 0 | 0 | 0 | 112.5 | M2 N4 N90 P91 V92 Y205 N214 W219 | M2-Y208 HydrophobicContact SD-CD1 3.42Å; M2-Y208 WeakPolarHBondContact SD-CD1 3.17Å; M2-Y208 HydrophobicContact SD-CE1 4.32Å; M2-Y208 HydrophobicContact SD-CG 3.97Å; N4-Y208 WeakPolarHBondContact OD1-CE1 3.4Å; N4-Y208 PolarHBondContact OD1-OH 3.08Å; N90-Y208 VanDerWaalsContact CG-OH 3.32Å; N90-Y208 PolarHBondContact ND2-OH 2.78Å; N90-Y208 VanDerWaalsContact OD1-CE2 3.26Å; N90-Y208 WeakPolarHBondContact OD1-CE2 3.45Å; N90-Y208 PolarHBondContact OD1-OH 3Å; P91-Y208 HydrophobicContact CG-CD2 4.18Å; P91-Y208 HydrophobicContact CG-CE2 4.35Å; V92-Y208 HydrophobicContact CB-CE1 4.1Å; V92-Y208 HydrophobicContact CB-CE2 4.12Å; V92-Y208 HydrophobicContact CG1-CE1 4.47Å; V92-Y208 HydrophobicContact CG2-CD1 3.61Å; V92-Y208 HydrophobicContact CG2-CD2 3.61Å; V92-Y208 HydrophobicContact CG2-CE1 3.65Å; V92-Y208 HydrophobicContact CG2-CE2 3.63Å; V92-Y208 HydrophobicContact CG2-CG 3.58Å; Y205-Y208 PolarHBondContact OH-N 2.78Å; Y205-Y208 PolarHBondContact OH-O 3.01Å; Y208-N214 WeakPolarHBondContact CE1-ND2 3.18Å; Y208-N214 PolarHBondContact OH-ND2 3.16Å; Y208-W219 HydrophobicContact CD2-CB 4.47Å; Y208-W219 AromaticContact CD2-CD1 3.52Å; Y208-W219 HydrophobicContact CD2-CG 4.12Å; Y208-W219 HydrophobicContact CE2-CB 3.63Å; Y208-W219 AromaticContact CE2-CD1 3.48Å; Y208-W219 VanDerWaalsContact CE2-CD1 3.48Å; Y208-W219 AromaticContact CE2-CG 3.6Å; Y208-W219 HydrophobicContact CE2-CG 3.6Å |
| 209 | V | 96 | Very high | 95.9 | Very high | 7 Ų | 7 | 36.5 Ų | 36.5 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | trans | -117.5 | 122.8 | 173.1 | 179.1 | 0 | 0 | 0 | 0 | 108.1 | D211 N214 M220 T222 A262 S263 | V209-D211 HydrophobicContact CG1-CB 4.07Å; V209-D211 PolarHBondContact O-N 2.85Å; V209-N214 PolarHBondContact O-ND2 2.94Å; V209-M220 HydrophobicContact CB-CB 4.05Å; V209-M220 PolarHBondContact N-O 3.13Å; V209-T222 HydrophobicContact CG2-CG2 3.44Å; V209-T222 VanDerWaalsContact CG2-CG2 3.44Å; V209-A262 HydrophobicContact CG1-CB 4.06Å; V209-S263 WeakPolarHBondContact CG1-OG 3.36Å | ||
| 210 | D | 93.7 | Very high | 96.3 | Very high | 15 Ų | 15 | 30.4 Ų | 30.4 | 8% | 0.08 | 16% | 0.159 | C | C | . | . | trans | -71 | 85.1 | 170 | -176.9 | 27 | 0 | 0 | 0 | 109.4 | R5 K6 A262 S263 | R5-D210 WeakPolarHBondContact CA-OD2 3.41Å; R5-D210 WeakPolarHBondContact CB-OD2 3.35Å; R5-D210 VanDerWaalsContact N-CG 3.28Å; R5-D210 PolarHBondContact N-OD1 3.17Å; R5-D210 VanDerWaalsContact N-OD1 3.07Å; R5-D210 PolarHBondContact N-OD2 3.45Å; K6-D210 WeakPolarHBondContact CB-O 3.38Å; K6-D210 WeakPolarHBondContact CG-O 3.3Å; K6-D210 WeakPolarHBondContact CG-OD2 3.16Å; K6-D210 PolarHBondContact N-OD1 2.86Å; K6-D210 PolarHBondContact N-OD2 2.9Å; D210-A262 WeakPolarHBondContact O-CB 3.36Å; D210-S263 PolarHBondContact N-OG 2.8Å | ||
| 211 | D | 94.9 | Very high | 96.9 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.011 | 13% | 0.128 | C | C | . | . | trans | -108.8 | 135.3 | -173.5 | -173.6 | -68.4 | 0 | 0 | 0 | 110.1 | C7 V209 R213 N214 M220 Y261 A262 | C7-D211 VanDerWaalsContact CB-O 3.29Å; C7-D211 WeakPolarHBondContact CB-O 3.33Å; V209-D211 HydrophobicContact CG1-CB 4.07Å; V209-D211 PolarHBondContact O-N 2.85Å; D211-R213 VanDerWaalsContact CG-NE 3.34Å; D211-R213 PolarHBondContact O-N 3.13Å; D211-R213 WeakPolarHBondContact OD1-CA 3.45Å; D211-R213 WeakPolarHBondContact OD1-CB 3.38Å; D211-R213 WeakPolarHBondContact OD1-CG 3.28Å; D211-R213 IonicContact OD1-CZ 2.74Å; D211-R213 PolarHBondContact OD1-N 2.92Å; D211-R213 IonicContact OD1-NE 3.53Å; D211-R213 PolarHBondContact OD1-NE 2.81Å; D211-R213 IonicContact OD1-NH2 3.48Å; D211-R213 IonicContact OD2-CZ 2.84Å; D211-R213 IonicContact OD2-NE 3.64Å; D211-R213 PolarHBondContact OD2-NE 2.8Å; D211-R213 IonicContact OD2-NH2 3.12Å; D211-R213 PolarHBondContact OD2-NH2 2.49Å; D211-N214 PolarHBondContact N-ND2 3.08Å; D211-N214 WeakPolarHBondContact O-CB 3.17Å; D211-N214 VanDerWaalsContact O-CG 3.26Å; D211-N214 PolarHBondContact O-N 3.44Å; D211-M220 HydrophobicContact CB-CB 3.86Å; D211-M220 HydrophobicContact CB-CG 3.72Å; D211-Y261 PolarHBondContact OD1-OH 3.16Å; D211-Y261 WeakPolarHBondContact OD2-CE1 3.29Å; D211-Y261 PolarHBondContact OD2-OH 2.9Å; D211-A262 HydrophobicContact CB-CB 4.44Å | ||
| 212 | P | 94.6 | Very high | 97.1 | Very high | 46 Ų | 46 | 23.9 Ų | 23.9 | 30% | 0.299 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -23.2 | 178 | -26.9 | 34.1 | 0 | 0 | 0 | 115.3 | K6 Y12 R19 Y261 | K6-P212 HydrophobicContact CB-CG 4.24Å; Y12-P212 WeakPolarHBondContact CE2-O 3.24Å; R19-P212 PolarHBondContact NH2-O 3.13Å; P212-Y261 HydrophobicContact CG-CE2 4.38Å |
| 213 | R | 96 | Very high | 97.2 | Very high | 67 Ų | 67 | 19.5 Ų | 19.5 | 25% | 0.253 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -21.3 | 178.1 | -62.9 | 172.4 | -70.8 | 176.6 | -4 | 113.4 | Y12 L103 D211 | Y12-R213 WeakPolarHBondContact CE2-O 3.06Å; Y12-R213 PolarHBondContact OH-O 3.43Å; L103-R213 HydrophobicContact CD1-CB 4.47Å; L103-R213 HydrophobicContact CD2-CB 4.04Å; L103-R213 HydrophobicContact CG-CB 4.23Å; D211-R213 VanDerWaalsContact CG-NE 3.34Å; D211-R213 PolarHBondContact O-N 3.13Å; D211-R213 WeakPolarHBondContact OD1-CA 3.45Å; D211-R213 WeakPolarHBondContact OD1-CB 3.38Å; D211-R213 WeakPolarHBondContact OD1-CG 3.28Å; D211-R213 IonicContact OD1-CZ 2.74Å; D211-R213 PolarHBondContact OD1-N 2.92Å; D211-R213 IonicContact OD1-NE 3.53Å; D211-R213 PolarHBondContact OD1-NE 2.81Å; D211-R213 IonicContact OD1-NH2 3.48Å; D211-R213 IonicContact OD2-CZ 2.84Å; D211-R213 IonicContact OD2-NE 3.64Å; D211-R213 PolarHBondContact OD2-NE 2.8Å; D211-R213 IonicContact OD2-NH2 3.12Å; D211-R213 PolarHBondContact OD2-NH2 2.49Å |
| 214 | N | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | trans | -60.6 | 136.5 | -174 | -67.4 | -7.6 | 0 | 0 | 0 | 112.1 | C7 R19 Y208 V209 D211 A218 W219 M220 | C7-N214 HydrophobicContact CB-CB 4.03Å; R19-N214 PolarHBondContact NH1-O 2.73Å; R19-N214 VanDerWaalsContact NH1-O 3.1Å; R19-N214 PolarHBondContact NH2-O 3.44Å; Y208-N214 WeakPolarHBondContact CE1-ND2 3.18Å; Y208-N214 PolarHBondContact OH-ND2 3.16Å; V209-N214 PolarHBondContact O-ND2 2.94Å; D211-N214 PolarHBondContact N-ND2 3.08Å; D211-N214 WeakPolarHBondContact O-CB 3.17Å; D211-N214 VanDerWaalsContact O-CG 3.26Å; D211-N214 PolarHBondContact O-N 3.44Å; N214-A218 CarbonylContact C-O 3.56Å; N214-A218 WeakPolarHBondContact CA-O 3.44Å; N214-W219 HydrophobicContact CB-CB 4.26Å; N214-W219 WeakPolarHBondContact OD1-CA 3.28Å; N214-M220 PolarHBondContact OD1-N 2.75Å | ||
| 215 | T | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.069 | C | C | . | . | trans | -119.9 | -179.3 | 174.6 | 70.5 | 0 | 0 | 0 | 0 | 109.4 | N90 T95 L97 G99 N217 A218 | N90-T215 WeakPolarHBondContact CB-O 3.49Å; N90-T215 PolarHBondContact ND2-O 3.19Å; T95-T215 VanDerWaalsContact CG2-C 3.46Å; T95-T215 WeakPolarHBondContact CG2-O 3.24Å; T95-T215 VanDerWaalsContact OG1-CA 3.26Å; T95-T215 WeakPolarHBondContact OG1-CA 3.28Å; L97-T215 HydrophobicContact CB-CG2 4.49Å; L97-T215 HydrophobicContact CD2-CG2 3.86Å; L97-T215 HydrophobicContact CG-CG2 4.28Å; L97-T215 WeakPolarHBondContact O-CB 3.41Å; G99-T215 VanDerWaalsContact O-CB 3.27Å; G99-T215 WeakPolarHBondContact O-CB 3.41Å; G99-T215 PolarHBondContact O-OG1 2.91Å; T215-N217 PolarHBondContact O-N 3.32Å; T215-N217 PolarHBondContact OG1-N 3.06Å; T215-N217 VanDerWaalsContact OG1-N 3.16Å; T215-A218 PolarHBondContact N-O 2.55Å; T215-A218 PolarHBondContact OG1-N 3.13Å; T215-A218 PolarHBondContact OG1-O 2.69Å | ||
| 216 | D | 98.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 13.2 Ų | 13.2 | 1% | 0.011 | 6% | 0.062 | C | C | . | . | S | Bend | trans | -66.2 | -20.1 | 173.5 | -65.7 | -1.9 | 0 | 0 | 0 | 112 | W29 Y36 I89 N90 T95 L97 T98 | W29-D216 HydrophobicContact CH2-CB 4.02Å; W29-D216 HydrophobicContact CZ2-CB 4.13Å; Y36-D216 VanDerWaalsContact CE1-OD2 3.28Å; Y36-D216 WeakPolarHBondContact CE1-OD2 3.2Å; Y36-D216 VanDerWaalsContact CZ-OD2 3.32Å; Y36-D216 VanDerWaalsContact OH-CG 3.23Å; Y36-D216 PolarHBondContact OH-OD1 3.31Å; Y36-D216 VanDerWaalsContact OH-OD1 3.13Å; Y36-D216 PolarHBondContact OH-OD2 3.49Å; I89-D216 CarbonylContact C-O 3.56Å; I89-D216 WeakPolarHBondContact CA-O 3.24Å; N90-D216 PolarHBondContact N-O 3.28Å; T95-D216 WeakPolarHBondContact CB-OD1 3.46Å; T95-D216 PolarHBondContact N-OD1 2.97Å; T95-D216 PolarHBondContact OG1-N 2.82Å; T95-D216 VanDerWaalsContact OG1-N 3.13Å; T95-D216 PolarHBondContact OG1-OD1 3.05Å; L97-D216 WeakPolarHBondContact O-CB 3.47Å; L97-D216 VanDerWaalsContact O-CG 3.3Å; L97-D216 PolarHBondContact O-N 2.82Å; T98-D216 HydrophobicContact CG2-CB 4.06Å |
| 217 | N | 98.8 | Very high | 97.2 | Very high | 6 Ų | 6 | 8.7 Ų | 8.7 | 3% | 0.032 | 5% | 0.045 | C | C | . | . | S | Bend | trans | -123.7 | 0 | -173.9 | -48 | 120.6 | 0 | 0 | 0 | 115.2 | P88 G99 W106 G107 T215 | P88-N217 WeakPolarHBondContact CG-O 3.27Å; P88-N217 VanDerWaalsContact O-CA 3.28Å; P88-N217 WeakPolarHBondContact O-CA 3.38Å; P88-N217 PolarHBondContact O-ND2 3.32Å; G99-N217 PolarHBondContact N-OD1 3.16Å; W106-N217 HydrophobicContact CE3-CB 3.93Å; W106-N217 HydrophobicContact CZ3-CB 3.83Å; G107-N217 PolarHBondContact N-O 2.97Å; T215-N217 PolarHBondContact O-N 3.32Å; T215-N217 PolarHBondContact OG1-N 3.06Å; T215-N217 VanDerWaalsContact OG1-N 3.16Å |
| 218 | A | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 134 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | R100 L103 K105 G107 N214 T215 | R100-A218 HydrophobicContact CB-CB 4.17Å; R100-A218 HydrophobicContact CG-CB 4.21Å; L103-A218 HydrophobicContact CB-CB 3.97Å; L103-A218 HydrophobicContact CD1-CB 3.91Å; K105-A218 WeakPolarHBondContact O-CB 3.38Å; G107-A218 VanDerWaalsContact O-CA 3.27Å; G107-A218 WeakPolarHBondContact O-CA 3.26Å; N214-A218 CarbonylContact C-O 3.56Å; N214-A218 WeakPolarHBondContact CA-O 3.44Å; T215-A218 PolarHBondContact N-O 2.55Å; T215-A218 PolarHBondContact OG1-N 3.13Å; T215-A218 PolarHBondContact OG1-O 2.69Å |
| 219 | W | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 158 | -177.3 | 60.8 | 91.5 | 0 | 0 | 0 | 112.2 | Y81 P88 I89 N90 P91 G107 P108 N109 Y208 N214 E221 | Y81-W219 AromaticContact CD1-CH2 3.86Å; Y81-W219 HydrophobicContact CD1-CH2 3.86Å; Y81-W219 AromaticContact CD1-CZ2 3.67Å; Y81-W219 HydrophobicContact CD1-CZ2 3.67Å; Y81-W219 AromaticContact CD2-CH2 3.89Å; Y81-W219 HydrophobicContact CD2-CH2 3.89Å; Y81-W219 HydrophobicContact CE1-CH2 4.27Å; Y81-W219 HydrophobicContact CE1-CZ2 4.15Å; Y81-W219 HydrophobicContact CE2-CH2 4.34Å; Y81-W219 AromaticContact CG-CH2 3.63Å; Y81-W219 HydrophobicContact CG-CH2 3.63Å; Y81-W219 AromaticContact CG-CZ2 3.87Å; Y81-W219 HydrophobicContact CG-CZ2 3.87Å; P88-W219 HydrophobicContact CB-CH2 4.21Å; P88-W219 HydrophobicContact CB-CZ3 4.24Å; I89-W219 WeakPolarHBondContact O-CH2 3.49Å; N90-W219 HydrophobicContact CB-CE3 3.98Å; N90-W219 HydrophobicContact CB-CZ3 4.41Å; P91-W219 VanDerWaalsContact CD-CZ2 3.47Å; P91-W219 HydrophobicContact CG-CZ2 4.08Å; G107-W219 PolarHBondContact O-N 3.29Å; P108-W219 CarbonylContact C-O 3.35Å; P108-W219 HydrophobicContact CB-CZ2 4.23Å; P108-W219 HydrophobicContact CG-CZ2 4.4Å; N109-W219 WeakPolarHBondContact CB-O 3.27Å; N109-W219 PolarHBondContact N-O 2.8Å; Y208-W219 HydrophobicContact CD2-CB 4.47Å; Y208-W219 AromaticContact CD2-CD1 3.52Å; Y208-W219 HydrophobicContact CD2-CG 4.12Å; Y208-W219 HydrophobicContact CE2-CB 3.63Å; Y208-W219 AromaticContact CE2-CD1 3.48Å; Y208-W219 VanDerWaalsContact CE2-CD1 3.48Å; Y208-W219 AromaticContact CE2-CG 3.6Å; Y208-W219 HydrophobicContact CE2-CG 3.6Å; N214-W219 HydrophobicContact CB-CB 4.26Å; N214-W219 WeakPolarHBondContact OD1-CA 3.28Å; W219-E221 PolarHBondContact NE1-OE1 2.9Å |
| 220 | M | 98 | Very high | 97 | Very high | 7 Ų | 7 | 16.2 Ų | 16.2 | 3% | 0.034 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 138.9 | 177.4 | -67.9 | -58.9 | -54.2 | 0 | 0 | 111.5 | L103 N109 A111 M157 V209 D211 N214 | L103-M220 HydrophobicContact CD1-CG 4.42Å; L103-M220 HydrophobicContact CD1-SD 4.3Å; L103-M220 HydrophobicContact CD2-CG 4.29Å; L103-M220 HydrophobicContact CD2-SD 3.46Å; L103-M220 WeakPolarHBondContact CD2-SD 3.35Å; N109-M220 HydrophobicContact CB-SD 3.95Å; A111-M220 HydrophobicContact CB-CE 3.75Å; M157-M220 HydrophobicContact CE-CE 4.14Å; M157-M220 HydrophobicContact CE-SD 4.46Å; M157-M220 HydrophobicContact SD-CE 3.76Å; M157-M220 HydrophobicContact SD-SD 4.39Å; V209-M220 HydrophobicContact CB-CB 4.05Å; V209-M220 PolarHBondContact N-O 3.13Å; D211-M220 HydrophobicContact CB-CB 3.86Å; D211-M220 HydrophobicContact CB-CG 3.72Å; N214-M220 PolarHBondContact OD1-N 2.75Å |
| 221 | E | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 146.4 | 167.5 | -55.9 | -169.4 | 169.2 | 0 | 0 | 110 | S76 R77 P108 N109 H110 A111 G207 W219 | S76-E221 WeakPolarHBondContact CA-OE1 3.25Å; S76-E221 WeakPolarHBondContact CB-OE1 3.41Å; S76-E221 PolarHBondContact OG-OE1 3.46Å; R77-E221 VanDerWaalsContact CB-OE2 3.24Å; R77-E221 WeakPolarHBondContact CB-OE2 3.37Å; R77-E221 VanDerWaalsContact CG-OE2 3.28Å; R77-E221 WeakPolarHBondContact CG-OE2 3.21Å; R77-E221 PolarHBondContact N-OE2 2.96Å; P108-E221 HydrophobicContact CB-CG 4.23Å; N109-E221 PolarHBondContact O-N 2.56Å; H110-E221 CarbonylContact C-O 3.56Å; H110-E221 WeakPolarHBondContact CA-O 3.25Å; H110-E221 IonicContact CE1-OE2 3.03Å; H110-E221 PolarHBondContact CE1-OE2 2.78Å; H110-E221 VanDerWaalsContact CE1-OE2 3.28Å; H110-E221 IonicContact ND1-OE2 2.9Å; A111-E221 PolarHBondContact N-O 3.29Å; G207-E221 CarbonylContact O-C 3.56Å; G207-E221 WeakPolarHBondContact O-CA 3.26Å; G207-E221 WeakPolarHBondContact O-CB 3.41Å; W219-E221 PolarHBondContact NE1-OE1 2.9Å |
| 222 | T | 97.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.012 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 160.1 | -175.5 | -166 | 0 | 0 | 0 | 0 | 112.6 | A111 D113 Y205 R206 G207 V209 I267 | A111-T222 WeakPolarHBondContact O-CA 3.35Å; D113-T222 PolarHBondContact N-OG1 3.02Å; D113-T222 WeakPolarHBondContact OD2-CB 3.44Å; D113-T222 VanDerWaalsContact OD2-CG2 3.26Å; D113-T222 WeakPolarHBondContact OD2-CG2 3.47Å; D113-T222 PolarHBondContact OD2-OG1 2.75Å; Y205-T222 HydrophobicContact CD1-CG2 3.78Å; Y205-T222 HydrophobicContact CE1-CG2 4Å; R206-T222 WeakPolarHBondContact CA-O 3.31Å; G207-T222 PolarHBondContact N-O 3.48Å; G207-T222 VanDerWaalsContact N-O 3.09Å; G207-T222 PolarHBondContact O-N 3.18Å; V209-T222 HydrophobicContact CG2-CG2 3.44Å; V209-T222 VanDerWaalsContact CG2-CG2 3.44Å; T222-I267 HydrophobicContact CG2-CD1 4.11Å |
| 223 | V | 97.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 111.6 | 154.8 | -176 | 0 | 0 | 0 | 0 | 107.2 | R77 A111 V112 D113 V164 E203 Y205 R206 | R77-V223 VanDerWaalsContact CZ-CG2 3.41Å; A111-V223 PolarHBondContact O-N 3.1Å; A111-V223 VanDerWaalsContact O-N 3.13Å; V112-V223 WeakPolarHBondContact CA-O 3.48Å; D113-V223 PolarHBondContact N-O 2.97Å; V164-V223 HydrophobicContact CG1-CB 4.05Å; V164-V223 HydrophobicContact CG1-CG1 3.95Å; V164-V223 HydrophobicContact CG1-CG2 4.39Å; V164-V223 HydrophobicContact CG2-CG2 4.14Å; E203-V223 HydrophobicContact CG-CG1 4.32Å; Y205-V223 CarbonylContact O-C 3.53Å; Y205-V223 WeakPolarHBondContact O-CA 3.44Å; R206-V223 HydrophobicContact CG-CG2 4.21Å; R206-V223 VanDerWaalsContact NH1-CG2 3.27Å |
| 224 | A | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 120.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | D113 L115 V204 Y205 I267 | D113-A224 HydrophobicContact CB-CB 3.91Å; D113-A224 VanDerWaalsContact O-CA 3.26Å; D113-A224 WeakPolarHBondContact O-CA 3.39Å; L115-A224 HydrophobicContact CD1-CB 4.45Å; V204-A224 PolarHBondContact N-O 3.37Å; Y205-A224 PolarHBondContact N-O 2.85Å; Y205-A224 PolarHBondContact O-N 3.09Å; A224-I267 HydrophobicContact CB-CD1 4.3Å; A224-I267 HydrophobicContact CB-CG2 3.66Å |
| 225 | S | 98.3 | Very high | 94.9 | Very high | 10 Ų | 10 | 21.2 Ų | 21.2 | 7% | 0.07 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 141.1 | 175.5 | -64.6 | 0 | 0 | 0 | 0 | 111 | D113 L115 Q168 I202 | D113-S225 PolarHBondContact O-N 2.65Å; L115-S225 WeakPolarHBondContact CB-O 3.43Å; L115-S225 PolarHBondContact N-O 2.78Å; Q168-S225 PolarHBondContact NE2-OG 2.94Å; I202-S225 CarbonylContact O-C 3.53Å; I202-S225 VanDerWaalsContact O-CA 3.3Å; I202-S225 WeakPolarHBondContact O-CA 3.44Å |
| 226 | N | 98.1 | Very high | 93.9 | Very high | 3 Ų | 3 | 21.2 Ų | 21.2 | 2% | 0.016 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 127 | 176.1 | 177.5 | -130.1 | 0 | 0 | 0 | 112.1 | L115 S117 G201 I202 V204 L271 H275 | L115-N226 HydrophobicContact CB-CB 4.07Å; L115-N226 HydrophobicContact CD1-CB 4.49Å; L115-N226 CarbonylContact O-C 3.46Å; L115-N226 VanDerWaalsContact O-CA 3.25Å; L115-N226 WeakPolarHBondContact O-CA 3.22Å; L115-N226 PolarHBondContact O-ND2 3.42Å; S117-N226 PolarHBondContact OG-ND2 2.89Å; G201-N226 WeakPolarHBondContact CA-O 3.5Å; I202-N226 PolarHBondContact N-O 2.86Å; I202-N226 PolarHBondContact O-N 3.23Å; V204-N226 HydrophobicContact CG2-CB 3.47Å; V204-N226 VanDerWaalsContact CG2-CB 3.47Å; N226-L271 HydrophobicContact CB-CD1 3.72Å; N226-L271 WeakPolarHBondContact OD1-CD1 3.33Å; N226-H275 PolarHBondContact OD1-NE2 2.7Å |
| 227 | F | 96.7 | Very high | 92.7 | Very high | 6 Ų | 6 | 27.5 Ų | 27.5 | 3% | 0.026 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 95.2 | 171.6 | -54.6 | -81.3 | 0 | 0 | 0 | 106.9 | I114 L115 V116 S117 P197 F198 G201 | I114-F227 HydrophobicContact CG2-CD2 3.82Å; I114-F227 HydrophobicContact CG2-CE2 3.87Å; L115-F227 PolarHBondContact O-N 2.85Å; V116-F227 WeakPolarHBondContact CA-O 3.21Å; V116-F227 HydrophobicContact CG2-CB 4.47Å; S117-F227 PolarHBondContact N-O 3.07Å; P197-F227 VanDerWaalsContact O-CD1 3.32Å; P197-F227 WeakPolarHBondContact O-CD1 3.32Å; F198-F227 VanDerWaalsContact CA-CE1 3.49Å; F198-F227 HydrophobicContact CB-CD1 4.36Å; F198-F227 HydrophobicContact CB-CE1 4.01Å; F198-F227 HydrophobicContact CB-CZ 4.47Å; F198-F227 HydrophobicContact CD1-CD2 4.35Å; F198-F227 HydrophobicContact CD1-CE1 4.11Å; F198-F227 AromaticContact CD1-CE2 3.91Å; F198-F227 HydrophobicContact CD1-CE2 3.91Å; F198-F227 AromaticContact CD1-CZ 3.76Å; F198-F227 HydrophobicContact CD1-CZ 3.76Å; F198-F227 HydrophobicContact CD2-CD1 4.42Å; F198-F227 HydrophobicContact CD2-CG 4.37Å; F198-F227 HydrophobicContact CE1-CD2 4.15Å; F198-F227 AromaticContact CE1-CE2 3.86Å; F198-F227 HydrophobicContact CE1-CE2 3.86Å; F198-F227 HydrophobicContact CE1-CZ 4.2Å; F198-F227 HydrophobicContact CE2-CD2 4.44Å; F198-F227 HydrophobicContact CE2-CG 4.45Å; F198-F227 HydrophobicContact CG-CD1 4.21Å; F198-F227 HydrophobicContact CG-CE1 4.04Å; F198-F227 HydrophobicContact CG-CE2 4.46Å; F198-F227 HydrophobicContact CG-CG 4.46Å; F198-F227 HydrophobicContact CG-CZ 4.17Å; F198-F227 HydrophobicContact CZ-CD2 4.18Å; F198-F227 HydrophobicContact CZ-CE2 4.36Å; F198-F227 WeakPolarHBondContact O-CE1 3.43Å; G201-F227 VanDerWaalsContact CA-CD1 3.41Å |
| 228 | H | 96.2 | Very high | 91.4 | Very high | 46 Ų | 46 | 28.5 Ų | 28.5 | 21% | 0.213 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 127.8 | -174.4 | -170.9 | 57.6 | 0 | 0 | 0 | 111.5 | S117 W119 E230 H275 | S117-H228 PolarHBondContact O-ND1 3.05Å; S117-H228 PolarHBondContact OG-ND1 2.92Å; W119-H228 AromaticContact CD1-NE2 3.6Å; W119-H228 AromaticContact CE2-NE2 3.72Å; W119-H228 AromaticContact NE1-CE1 3.9Å; W119-H228 AromaticContact NE1-NE2 3.19Å; W119-H228 PolarHBondContact NE1-NE2 3.47Å; W119-H228 VanDerWaalsContact NE1-NE2 3.19Å; H228-E230 IonicContact CD2-OE2 3.48Å; H228-E230 PolarHBondContact CD2-OE2 3.08Å; H228-E230 VanDerWaalsContact CD2-OE2 3.25Å; H228-E230 IonicContact NE2-OE2 2.72Å; H228-E230 PolarHBondContact NE2-OE2 3.14Å; H228-E230 VanDerWaalsContact NE2-OE2 3.12Å; H228-H275 AromaticContact CD2-CE1 3.67Å; H228-H275 AromaticContact CG-CE1 3.47Å; H228-H275 VanDerWaalsContact CG-CE1 3.47Å; H228-H275 AromaticContact CG-NE2 3.97Å; H228-H275 AromaticContact ND1-CE1 3.87Å |
| 229 | D | 94.3 | Very high | 90.1 | Very high | 19 Ų | 19 | 36.4 Ų | 36.4 | 10% | 0.102 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 88.8 | 168.5 | -175.2 | 3.2 | 0 | 0 | 0 | 109.7 | S117 R118 S231 G232 E233 G234 L235 G236 | S117-D229 PolarHBondContact O-N 3.22Å; R118-D229 HydrophobicContact CB-CB 4.48Å; D229-S231 PolarHBondContact O-N 3.15Å; D229-S231 PolarHBondContact OD1-OG 2.95Å; D229-G232 PolarHBondContact O-N 2.98Å; D229-G232 PolarHBondContact OD1-N 3.5Å; D229-G232 VanDerWaalsContact OD2-C 3.3Å; D229-G232 WeakPolarHBondContact OD2-CA 3.44Å; D229-E233 PolarHBondContact OD2-N 2.77Å; D229-G234 VanDerWaalsContact OD2-C 3.32Å; D229-G234 VanDerWaalsContact OD2-CA 3.31Å; D229-G234 WeakPolarHBondContact OD2-CA 3.43Å; D229-G234 PolarHBondContact OD2-N 3.24Å; D229-L235 PolarHBondContact OD2-N 3.22Å; D229-G236 WeakPolarHBondContact OD2-CA 3.29Å; D229-G236 PolarHBondContact OD2-N 3.14Å |
| 230 | E | 93.7 | Very high | 88.9 | Confident | 108 Ų | 108 | 37.9 Ų | 37.9 | 51% | 0.505 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -61.4 | -42 | -177.9 | -178.3 | 62.6 | -148.6 | 0 | 0 | 112 | W119 R121 H228 | W119-E230 VanDerWaalsContact NE1-CD 3.33Å; W119-E230 PolarHBondContact NE1-OE1 2.94Å; W119-E230 VanDerWaalsContact NE1-OE1 3.17Å; W119-E230 PolarHBondContact NE1-OE2 3.23Å; R121-E230 PolarHBondContact NH2-O 3.26Å; H228-E230 IonicContact CD2-OE2 3.48Å; H228-E230 PolarHBondContact CD2-OE2 3.08Å; H228-E230 VanDerWaalsContact CD2-OE2 3.25Å; H228-E230 IonicContact NE2-OE2 2.72Å; H228-E230 PolarHBondContact NE2-OE2 3.14Å; H228-E230 VanDerWaalsContact NE2-OE2 3.12Å |
| 231 | S | 91.9 | Very high | 87.7 | Confident | 65 Ų | 65 | 40.8 Ų | 40.8 | 46% | 0.455 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -75.2 | -30.9 | 179.6 | 66 | 0 | 0 | 0 | 0 | 111.7 | R121 D229 E233 | R121-S231 PolarHBondContact NE-O 3.5Å; R121-S231 PolarHBondContact NH2-O 3.44Å; D229-S231 PolarHBondContact O-N 3.15Å; D229-S231 PolarHBondContact OD1-OG 2.95Å; S231-E233 WeakPolarHBondContact OG-CB 3.3Å; S231-E233 PolarHBondContact OG-N 3.18Å |
| 232 | G | 87.9 | Confident | 86.2 | Confident | 9 Ų | 9 | 41.9 Ų | 41.9 | 9% | 0.093 | 23% | 0.232 | C | C | . | . | S | Bend | trans | 79 | 7.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D229 K237 | D229-G232 PolarHBondContact O-N 2.98Å; D229-G232 PolarHBondContact OD1-N 3.5Å; D229-G232 VanDerWaalsContact OD2-C 3.3Å; D229-G232 WeakPolarHBondContact OD2-CA 3.44Å; G232-K237 WeakPolarHBondContact O-CG 3.26Å |
| 233 | E | 85.4 | Confident | 84.9 | Confident | 120 Ų | 120 | 42 Ų | 42 | 56% | 0.561 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -95.8 | -12 | -175.9 | -64.9 | -64.9 | 132.2 | 0 | 0 | 113.4 | D229 S231 K237 | D229-E233 PolarHBondContact OD2-N 2.77Å; S231-E233 WeakPolarHBondContact OG-CB 3.3Å; S231-E233 PolarHBondContact OG-N 3.18Å; E233-K237 VanDerWaalsContact CD-CE 3.47Å; E233-K237 WeakPolarHBondContact OE1-CE 3.17Å; E233-K237 IonicContact OE1-NZ 2.71Å; E233-K237 PolarHBondContact OE1-NZ 3.45Å; E233-K237 VanDerWaalsContact OE2-CE 3.32Å; E233-K237 WeakPolarHBondContact OE2-CE 3.43Å; E233-K237 IonicContact OE2-NZ 2.63Å; E233-K237 PolarHBondContact OE2-NZ 3.06Å |
| 234 | G | 84 | Confident | 83.9 | Confident | 36 Ų | 36 | 44 Ų | 44 | 37% | 0.371 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -93.4 | -114.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | D229 G236 K237 | D229-G234 VanDerWaalsContact OD2-C 3.32Å; D229-G234 VanDerWaalsContact OD2-CA 3.31Å; D229-G234 WeakPolarHBondContact OD2-CA 3.43Å; D229-G234 PolarHBondContact OD2-N 3.24Å; G234-G236 PolarHBondContact O-N 3.26Å; G234-G236 VanDerWaalsContact O-N 3.13Å; G234-K237 PolarHBondContact O-N 3.03Å; G234-K237 VanDerWaalsContact O-N 3.12Å |
| 235 | L | 84.2 | Confident | 82.7 | Confident | 5 Ų | 5 | 48.2 Ų | 48.2 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -56.6 | -28 | 175.7 | -67.3 | 178 | 0 | 0 | 0 | 111.6 | V116 L193 I194 P197 F198 D229 K237 T238 F240 | V116-L235 HydrophobicContact CG1-CB 3.88Å; V116-L235 HydrophobicContact CG1-CD1 3.76Å; V116-L235 HydrophobicContact CG1-CG 4.48Å; V116-L235 HydrophobicContact CG2-CD1 4.02Å; L193-L235 HydrophobicContact CD1-CD2 4.34Å; L193-L235 HydrophobicContact CD2-CD2 4.44Å; L193-L235 HydrophobicContact CG-CD2 4.03Å; I194-L235 HydrophobicContact CG2-CD2 4.3Å; P197-L235 HydrophobicContact CB-CD1 3.62Å; P197-L235 HydrophobicContact CB-CG 4.02Å; P197-L235 HydrophobicContact CG-CD1 4.15Å; P197-L235 HydrophobicContact CG-CD2 4.42Å; P197-L235 HydrophobicContact CG-CG 3.99Å; F198-L235 HydrophobicContact CE2-CD1 3.98Å; D229-L235 PolarHBondContact OD2-N 3.22Å; L235-K237 PolarHBondContact O-N 3.21Å; L235-T238 WeakPolarHBondContact O-CB 3.5Å; L235-T238 PolarHBondContact O-N 3.44Å; L235-T238 VanDerWaalsContact O-N 3.09Å; L235-T238 PolarHBondContact O-OG1 3.09Å; L235-F240 HydrophobicContact CB-CZ 4.31Å; L235-F240 WeakPolarHBondContact O-CE2 3.31Å; L235-F240 WeakPolarHBondContact O-CZ 3.49Å |
| 236 | G | 76.2 | Confident | 81.2 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -52.6 | -34.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R118 D229 G234 | R118-G236 PolarHBondContact NH1-O 3Å; D229-G236 WeakPolarHBondContact OD2-CA 3.29Å; D229-G236 PolarHBondContact OD2-N 3.14Å; G234-G236 PolarHBondContact O-N 3.26Å; G234-G236 VanDerWaalsContact O-N 3.13Å |
| 237 | K | 73.4 | Confident | 80.3 | Confident | 133 Ų | 133 | 51.6 Ų | 51.6 | 58% | 0.578 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -97.8 | -0.4 | -179.9 | -80.4 | -178.1 | -179.9 | -177.9 | 0 | 114.5 | G232 E233 G234 L235 | G232-K237 WeakPolarHBondContact O-CG 3.26Å; E233-K237 VanDerWaalsContact CD-CE 3.47Å; E233-K237 WeakPolarHBondContact OE1-CE 3.17Å; E233-K237 IonicContact OE1-NZ 2.71Å; E233-K237 PolarHBondContact OE1-NZ 3.45Å; E233-K237 VanDerWaalsContact OE2-CE 3.32Å; E233-K237 WeakPolarHBondContact OE2-CE 3.43Å; E233-K237 IonicContact OE2-NZ 2.63Å; E233-K237 PolarHBondContact OE2-NZ 3.06Å; G234-K237 PolarHBondContact O-N 3.03Å; G234-K237 VanDerWaalsContact O-N 3.12Å; L235-K237 PolarHBondContact O-N 3.21Å |
| 238 | T | 72.2 | Confident | 79.7 | Confident | 27 Ų | 27 | 55.8 Ų | 55.8 | 17% | 0.166 | 31% | 0.31 | C | S | . | . | trans | -69.9 | 138.6 | -177.2 | -62.1 | 0 | 0 | 0 | 0 | 110.8 | L177 L193 L235 F240 | L177-T238 HydrophobicContact CD2-CG2 4.13Å; L193-T238 HydrophobicContact CD2-CG2 3.58Å; L235-T238 WeakPolarHBondContact O-CB 3.5Å; L235-T238 PolarHBondContact O-N 3.44Å; L235-T238 VanDerWaalsContact O-N 3.09Å; L235-T238 PolarHBondContact O-OG1 3.09Å; T238-F240 HydrophobicContact CG2-CD1 4.2Å; T238-F240 HydrophobicContact CG2-CE1 3.93Å; T238-F240 HydrophobicContact CG2-CE2 4.3Å; T238-F240 HydrophobicContact CG2-CG 4.49Å; T238-F240 HydrophobicContact CG2-CZ 4.01Å; T238-F240 WeakPolarHBondContact O-CD2 3.19Å; T238-F240 WeakPolarHBondContact O-CE2 3.45Å; T238-F240 PolarHBondContact O-N 3.42Å | ||
| 239 | L | 70.7 | Confident | 79.2 | Confident | 166 Ų | 166 | 54.4 Ų | 54.4 | 87% | 0.869 | 30% | 0.304 | S | S | * | . | trans | -77.9 | 105.6 | 165.4 | -69.4 | 172.3 | 0 | 0 | 0 | 108.8 | ||||
| 240 | F | 74.6 | Confident | 79 | Confident | 32 Ų | 32 | 56.6 Ų | 56.6 | 14% | 0.14 | 31% | 0.314 | C | S | . | . | trans | -84.1 | 146.8 | 177.2 | -62.9 | -80.2 | 0 | 0 | 0 | 111 | L141 F172 L177 L235 T238 V249 W251 | L141-F240 HydrophobicContact CD1-CB 4.23Å; L141-F240 HydrophobicContact CD1-CD1 4.34Å; L141-F240 HydrophobicContact CD1-CD2 3.42Å; L141-F240 VanDerWaalsContact CD1-CD2 3.42Å; L141-F240 HydrophobicContact CD1-CE2 3.78Å; L141-F240 HydrophobicContact CD1-CG 3.73Å; L141-F240 HydrophobicContact CD1-CZ 4.37Å; L141-F240 HydrophobicContact CD2-CB 4.37Å; L141-F240 HydrophobicContact CD2-CD1 3.41Å; L141-F240 VanDerWaalsContact CD2-CD1 3.41Å; L141-F240 HydrophobicContact CD2-CD2 4.03Å; L141-F240 HydrophobicContact CD2-CE1 3.56Å; L141-F240 HydrophobicContact CD2-CE2 4.14Å; L141-F240 HydrophobicContact CD2-CG 3.66Å; L141-F240 HydrophobicContact CD2-CZ 3.91Å; L141-F240 HydrophobicContact CG-CD2 4.39Å; L141-F240 HydrophobicContact CG-CG 4.34Å; F172-F240 HydrophobicContact CE1-CE1 4.13Å; F172-F240 HydrophobicContact CZ-CD1 4.34Å; F172-F240 AromaticContact CZ-CE1 3.72Å; F172-F240 HydrophobicContact CZ-CE1 3.72Å; L177-F240 HydrophobicContact CD2-CD1 3.55Å; L177-F240 HydrophobicContact CD2-CE1 3.98Å; L177-F240 HydrophobicContact CG-CD1 4.29Å; L235-F240 HydrophobicContact CB-CZ 4.31Å; L235-F240 WeakPolarHBondContact O-CE2 3.31Å; L235-F240 WeakPolarHBondContact O-CZ 3.49Å; T238-F240 HydrophobicContact CG2-CD1 4.2Å; T238-F240 HydrophobicContact CG2-CE1 3.93Å; T238-F240 HydrophobicContact CG2-CE2 4.3Å; T238-F240 HydrophobicContact CG2-CG 4.49Å; T238-F240 HydrophobicContact CG2-CZ 4.01Å; T238-F240 WeakPolarHBondContact O-CD2 3.19Å; T238-F240 WeakPolarHBondContact O-CE2 3.45Å; T238-F240 PolarHBondContact O-N 3.42Å; F240-V249 VanDerWaalsContact C-CG1 3.49Å; F240-V249 HydrophobicContact CB-CB 4.39Å; F240-V249 HydrophobicContact CB-CG1 3.56Å; F240-V249 HydrophobicContact CB-CG2 3.88Å; F240-W251 AromaticContact CE2-CE2 3.94Å; F240-W251 AromaticContact CE2-CZ2 3.69Å; F240-W251 HydrophobicContact CE2-CZ2 3.69Å; F240-W251 AromaticContact CE2-NE1 3.79Å; F240-W251 HydrophobicContact CZ-CZ2 4.24Å | ||
| 241 | C | 71.3 | Confident | 79 | Confident | 68 Ų | 68 | 53.5 Ų | 53.5 | 46% | 0.459 | 30% | 0.298 | S | S | . | . | B | Isolated β-bridge | trans | -136.2 | 121.5 | 179.6 | -173.1 | 0 | 0 | 0 | 0 | 108.9 | A176 L177 N178 | A176-C241 CarbonylContact C-O 3.52Å; A176-C241 PolarHBondContact O-N 3.34Å; A176-C241 VanDerWaalsContact O-N 3.13Å; A176-C241 VanDerWaalsContact O-O 3.06Å; L177-C241 CarbonylContact C-O 3.56Å; L177-C241 WeakPolarHBondContact CA-O 3.47Å; L177-C241 PolarHBondContact N-O 3Å; N178-C241 HydrophobicContact CB-CB 4.23Å; N178-C241 PolarHBondContact N-O 3.32Å; N178-C241 VanDerWaalsContact N-O 3.09Å |
| 242 | A | 67.5 | Low | 79.1 | Confident | 23 Ų | 23 | 50.5 Ų | 50.5 | 19% | 0.19 | 28% | 0.277 | C | S | . | . | trans | -63.9 | 137.7 | -178 | 0 | 0 | 0 | 0 | 0 | 111.4 | A246 V249 | A242-A246 HydrophobicContact CB-CB 4.02Å; A242-V249 HydrophobicContact CB-CB 4.3Å; A242-V249 HydrophobicContact CB-CG1 4.24Å | ||
| 243 | G | 70.7 | Confident | 79.5 | Confident | 4 Ų | 4 | 52 Ų | 52 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | trans | -137.2 | 179.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E174 E175 D245 A246 | E174-G243 CarbonylContact O-C 3.47Å; E174-G243 WeakPolarHBondContact O-CA 3.46Å; E175-G243 PolarHBondContact O-N 3.09Å; G243-D245 PolarHBondContact O-N 3.02Å; G243-A246 WeakPolarHBondContact O-CB 3.28Å; G243-A246 PolarHBondContact O-N 2.85Å | ||
| 244 | S | 76.2 | Confident | 80 | Confident | 43 Ų | 43 | 46.5 Ų | 46.5 | 30% | 0.301 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | -122.1 | 177.8 | -167.9 | 0 | 0 | 0 | 0 | 112.7 | R146 | R146-S244 PolarHBondContact NH1-O 2.82Å; R146-S244 PolarHBondContact NH2-O 2.84Å |
| 245 | D | 73.9 | Confident | 80.3 | Confident | 89 Ų | 89 | 47.8 Ų | 47.8 | 48% | 0.476 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -5.5 | -179.9 | -76.4 | -21 | 0 | 0 | 0 | 114.8 | R146 G243 | R146-D245 WeakPolarHBondContact CB-O 3.49Å; R146-D245 PolarHBondContact N-O 3.32Å; R146-D245 IonicContact NH1-OD1 3.28Å; G243-D245 PolarHBondContact O-N 3.02Å |
| 246 | A | 67 | Low | 80.7 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 2% | 0.017 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 144.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | I143 V144 R146 A242 G243 | I143-A246 HydrophobicContact CB-CB 3.82Å; I143-A246 HydrophobicContact CD1-CB 4.08Å; I143-A246 HydrophobicContact CG2-CB 3.77Å; V144-A246 WeakPolarHBondContact O-CA 3.34Å; R146-A246 PolarHBondContact NH2-O 3.13Å; A242-A246 HydrophobicContact CB-CB 4.02Å; G243-A246 WeakPolarHBondContact O-CB 3.28Å; G243-A246 PolarHBondContact O-N 2.85Å |
| 247 | V | 78.4 | Confident | 81.4 | Confident | 82 Ų | 82 | 60.8 Ų | 60.8 | 50% | 0.497 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | -18.2 | 170.9 | -68.4 | 0 | 0 | 0 | 0 | 113.2 | V144 R146 | V144-V247 HydrophobicContact CB-CG2 4.07Å; V144-V247 HydrophobicContact CG1-CG2 3.97Å; V144-V247 WeakPolarHBondContact O-CG2 3.39Å; V144-V247 PolarHBondContact O-N 2.69Å; R146-V247 HydrophobicContact CB-CG1 3.7Å; R146-V247 HydrophobicContact CG-CG1 3.7Å |
| 248 | H | 84.6 | Confident | 82.1 | Confident | 94 Ų | 94 | 58.2 Ų | 58.2 | 44% | 0.435 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 151.5 | 179.9 | -169 | 61.5 | 0 | 0 | 0 | 109.9 | I143 V144 E250 | I143-H248 CarbonylContact C-O 3.51Å; I143-H248 VanDerWaalsContact CA-O 3.26Å; I143-H248 WeakPolarHBondContact CA-O 3.3Å; V144-H248 HydrophobicContact CB-CB 4.03Å; V144-H248 HydrophobicContact CG2-CB 3.99Å; V144-H248 PolarHBondContact N-O 3.46Å; H248-E250 IonicContact CD2-OE1 3.11Å; H248-E250 IonicContact NE2-OE1 3.87Å |
| 249 | V | 85.7 | Confident | 82.9 | Confident | 16 Ų | 16 | 61.5 Ų | 61.5 | 10% | 0.097 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 127.5 | 174.7 | 64.1 | 0 | 0 | 0 | 0 | 108.2 | L141 A142 I143 A176 F240 A242 | L141-V249 HydrophobicContact CD1-CG2 3.77Å; L141-V249 HydrophobicContact CD2-CG2 3.8Å; L141-V249 HydrophobicContact CG-CG2 3.62Å; A142-V249 WeakPolarHBondContact O-CA 3.48Å; I143-V249 HydrophobicContact CG2-CB 4.36Å; I143-V249 HydrophobicContact CG2-CG2 4.25Å; A176-V249 HydrophobicContact CB-CG2 4.37Å; F240-V249 VanDerWaalsContact C-CG1 3.49Å; F240-V249 HydrophobicContact CB-CB 4.39Å; F240-V249 HydrophobicContact CB-CG1 3.56Å; F240-V249 HydrophobicContact CB-CG2 3.88Å; A242-V249 HydrophobicContact CB-CB 4.3Å; A242-V249 HydrophobicContact CB-CG1 4.24Å |
| 250 | E | 90.5 | Very high | 83.8 | Confident | 65 Ų | 65 | 53.8 Ų | 53.8 | 30% | 0.304 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 159.7 | -177.6 | 59.5 | 171.4 | 137.8 | 0 | 0 | 112.3 | A142 F151 H248 V252 | A142-E250 PolarHBondContact N-O 2.74Å; A142-E250 PolarHBondContact O-N 2.72Å; F151-E250 HydrophobicContact CE1-CG 4.14Å; F151-E250 WeakPolarHBondContact CE1-OE1 3.41Å; F151-E250 WeakPolarHBondContact CZ-OE1 3.37Å; H248-E250 IonicContact CD2-OE1 3.11Å; H248-E250 IonicContact NE2-OE1 3.87Å; E250-V252 HydrophobicContact CG-CG2 3.86Å; E250-V252 PolarHBondContact O-N 2.84Å |
| 251 | W | 92.7 | Very high | 84.5 | Confident | 44 Ų | 44 | 52.8 Ų | 52.8 | 17% | 0.167 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 116.3 | 170.2 | -73 | 104.5 | 0 | 0 | 0 | 109.9 | V116 R118 Q139 F140 L141 F240 | V116-W251 HydrophobicContact CG1-CH2 3.86Å; R118-W251 HydrophobicContact CB-CH2 4.18Å; R118-W251 HydrophobicContact CB-CZ3 4.16Å; R118-W251 HydrophobicContact CG-CD2 4.39Å; R118-W251 HydrophobicContact CG-CE3 3.87Å; R118-W251 HydrophobicContact CG-CH2 3.89Å; R118-W251 HydrophobicContact CG-CZ2 4.45Å; R118-W251 HydrophobicContact CG-CZ3 3.6Å; Q139-W251 HydrophobicContact CB-CE3 4Å; F140-W251 VanDerWaalsContact C-CE3 3.5Å; L141-W251 HydrophobicContact CB-CE3 4.45Å; L141-W251 HydrophobicContact CB-CZ3 4.33Å; L141-W251 HydrophobicContact CD1-CD2 4.14Å; L141-W251 HydrophobicContact CD1-CG 4.43Å; L141-W251 HydrophobicContact CD1-CZ2 4.39Å; F240-W251 AromaticContact CE2-CE2 3.94Å; F240-W251 AromaticContact CE2-CZ2 3.69Å; F240-W251 HydrophobicContact CE2-CZ2 3.69Å; F240-W251 AromaticContact CE2-NE1 3.79Å; F240-W251 HydrophobicContact CZ-CZ2 4.24Å |
| 252 | V | 94.4 | Very high | 85.3 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 125.2 | 179 | 175.8 | 0 | 0 | 0 | 0 | 109.5 | Q139 F140 A142 F151 E250 F260 | Q139-V252 CarbonylContact C-O 3.57Å; Q139-V252 VanDerWaalsContact CA-O 3.24Å; Q139-V252 WeakPolarHBondContact CA-O 3.42Å; F140-V252 HydrophobicContact CD1-CB 4.28Å; F140-V252 WeakPolarHBondContact CD1-O 3.31Å; F140-V252 HydrophobicContact CE1-CB 3.88Å; F140-V252 HydrophobicContact CE1-CG1 3.96Å; F140-V252 HydrophobicContact CZ-CB 4.48Å; F140-V252 PolarHBondContact N-O 2.9Å; F140-V252 PolarHBondContact O-N 3.48Å; A142-V252 HydrophobicContact CB-CB 4.11Å; A142-V252 HydrophobicContact CB-CG2 3.61Å; F151-V252 HydrophobicContact CD1-CG2 4.17Å; F151-V252 HydrophobicContact CE1-CG2 4.09Å; E250-V252 HydrophobicContact CG-CG2 3.86Å; E250-V252 PolarHBondContact O-N 2.84Å; V252-F260 HydrophobicContact CG1-CZ 4.36Å |
| 253 | T | 95.7 | Very high | 86.3 | Confident | 40 Ų | 40 | 49.3 Ų | 49.3 | 25% | 0.245 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 133.4 | 168.5 | -52.5 | 0 | 0 | 0 | 0 | 109.7 | Q120 L137 Q139 D255 | Q120-T253 PolarHBondContact OE1-OG1 3.08Å; L137-T253 HydrophobicContact CB-CG2 4.25Å; L137-T253 HydrophobicContact CD2-CG2 4.29Å; Q139-T253 PolarHBondContact NE2-OG1 2.93Å; T253-D255 PolarHBondContact O-N 3.25Å |
| 254 | L | 96 | Very high | 87.4 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | trans | -59 | 127.8 | 176.8 | -66.2 | -166.4 | 0 | 0 | 0 | 111 | L138 F140 L268 L271 A272 W279 | L138-L254 HydrophobicContact CB-CD1 4.1Å; L138-L254 HydrophobicContact CB-CG 4.3Å; L138-L254 HydrophobicContact CD2-CD1 3.85Å; L138-L254 HydrophobicContact CG-CD1 4.31Å; L138-L254 WeakPolarHBondContact O-CG 3.31Å; L138-L254 PolarHBondContact O-N 2.86Å; F140-L254 HydrophobicContact CD1-CD2 3.36Å; F140-L254 HydrophobicContact CE1-CD2 3.75Å; F140-L254 HydrophobicContact CG-CD2 4.24Å; L254-L268 HydrophobicContact CD2-CB 4.24Å; L254-L268 HydrophobicContact CD2-CD1 4.5Å; L254-L268 HydrophobicContact CD2-CD2 3.77Å; L254-L268 HydrophobicContact CD2-CG 4.38Å; L254-L271 HydrophobicContact CD1-CD2 4.34Å; L254-A272 HydrophobicContact CD1-CB 3.86Å; L254-W279 HydrophobicContact CB-CE3 3.95Å; L254-W279 HydrophobicContact CB-CZ3 4.02Å; L254-W279 HydrophobicContact CD1-CE3 4.39Å; L254-W279 HydrophobicContact CD2-CZ3 4.26Å | ||
| 255 | D | 91.4 | Very high | 88.2 | Confident | 64 Ų | 64 | 49.2 Ų | 49.2 | 34% | 0.342 | 25% | 0.254 | S | S | . | . | trans | -149.4 | 115 | -179.8 | 177.9 | -5.2 | 0 | 0 | 0 | 108.9 | T253 T257 R258 | T253-D255 PolarHBondContact O-N 3.25Å; D255-T257 VanDerWaalsContact CG-OG1 3.25Å; D255-T257 PolarHBondContact O-N 3.03Å; D255-T257 VanDerWaalsContact O-N 3.12Å; D255-T257 WeakPolarHBondContact OD1-CB 3.44Å; D255-T257 PolarHBondContact OD1-N 3.43Å; D255-T257 PolarHBondContact OD1-OG1 2.9Å; D255-T257 PolarHBondContact OD2-OG1 2.84Å; D255-T257 VanDerWaalsContact OD2-OG1 3.1Å; D255-R258 HydrophobicContact CB-CB 4.39Å; D255-R258 PolarHBondContact O-N 3.05Å | ||
| 256 | R | 91.2 | Very high | 89.2 | Confident | 167 Ų | 167 | 49.9 Ų | 49.9 | 63% | 0.63 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -30.7 | 174.6 | 153.2 | 172.1 | 51.1 | 162.5 | -3.5 | 114.2 | W279 | R256-W279 HydrophobicContact CB-CD2 4.25Å; R256-W279 HydrophobicContact CB-CG 4.41Å; R256-W279 HydrophobicContact CB-CZ2 4.41Å; R256-W279 WeakPolarHBondContact CB-OXT 3.37Å; R256-W279 PolarHBondContact N-OXT 3.43Å |
| 257 | T | 91 | Very high | 90.6 | Very high | 112 Ų | 112 | 49.9 Ų | 49.9 | 69% | 0.687 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -15.6 | -172.9 | 70.3 | 0 | 0 | 0 | 0 | 113.1 | D255 | D255-T257 VanDerWaalsContact CG-OG1 3.25Å; D255-T257 PolarHBondContact O-N 3.03Å; D255-T257 VanDerWaalsContact O-N 3.12Å; D255-T257 WeakPolarHBondContact OD1-CB 3.44Å; D255-T257 PolarHBondContact OD1-N 3.43Å; D255-T257 PolarHBondContact OD1-OG1 2.9Å; D255-T257 PolarHBondContact OD2-OG1 2.84Å; D255-T257 VanDerWaalsContact OD2-OG1 3.1Å |
| 258 | R | 89.7 | Confident | 91.5 | Very high | 78 Ų | 78 | 46 Ų | 46 | 29% | 0.294 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -75.3 | 131.3 | -179.6 | -165.3 | 169.1 | -170.5 | 152 | -3.6 | 110.5 | D255 F260 | D255-R258 HydrophobicContact CB-CB 4.39Å; D255-R258 PolarHBondContact O-N 3.05Å; R258-F260 HydrophobicContact CB-CE2 3.79Å; R258-F260 HydrophobicContact CB-CZ 4.05Å; R258-F260 HydrophobicContact CG-CE2 4.21Å; R258-F260 HydrophobicContact CG-CZ 4.05Å; R258-F260 WeakPolarHBondContact O-CD2 3.16Å; R258-F260 WeakPolarHBondContact O-CE2 3.08Å |
| 259 | P | 88 | Confident | 92.1 | Very high | 96 Ų | 96 | 42.5 Ų | 42.5 | 62% | 0.623 | 22% | 0.221 | S | C | * | . | trans | -72.6 | 130.6 | 175.8 | 29.2 | -33.5 | 0 | 0 | 0 | 110.4 | ||||
| 260 | F | 90.4 | Very high | 92.6 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -122.3 | 152.6 | 172.3 | -64.8 | -80.7 | 0 | 0 | 0 | 110.9 | F140 F151 V252 R258 H264 L268 | F140-F260 HydrophobicContact CE1-CE1 4.03Å; F140-F260 HydrophobicContact CE1-CZ 4.01Å; F140-F260 HydrophobicContact CZ-CD1 4.27Å; F140-F260 AromaticContact CZ-CE1 3.54Å; F140-F260 HydrophobicContact CZ-CE1 3.54Å; F140-F260 AromaticContact CZ-CZ 3.99Å; F140-F260 HydrophobicContact CZ-CZ 3.99Å; F151-F260 HydrophobicContact CB-CD1 3.45Å; F151-F260 VanDerWaalsContact CB-CD1 3.45Å; F151-F260 HydrophobicContact CB-CE1 3.57Å; F151-F260 HydrophobicContact CG-CE1 4.36Å; F151-F260 WeakPolarHBondContact O-CA 3.28Å; V252-F260 HydrophobicContact CG1-CZ 4.36Å; R258-F260 HydrophobicContact CB-CE2 3.79Å; R258-F260 HydrophobicContact CB-CZ 4.05Å; R258-F260 HydrophobicContact CG-CE2 4.21Å; R258-F260 HydrophobicContact CG-CZ 4.05Å; R258-F260 WeakPolarHBondContact O-CD2 3.16Å; R258-F260 WeakPolarHBondContact O-CE2 3.08Å; F260-H264 HydrophobicContact CB-CB 3.93Å; F260-L268 HydrophobicContact CD1-CD1 3.99Å; F260-L268 HydrophobicContact CD2-CD1 3.67Å; F260-L268 HydrophobicContact CE1-CD1 3.95Å; F260-L268 HydrophobicContact CE2-CD1 3.59Å; F260-L268 HydrophobicContact CG-CD1 3.87Å; F260-L268 HydrophobicContact CZ-CD1 3.73Å |
| 261 | Y | 88.9 | Confident | 93 | Very high | 12 Ų | 12 | 42.9 Ų | 42.9 | 5% | 0.047 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -57.7 | 144.1 | 178.5 | -180 | -100.4 | 0 | 0 | 0 | 112 | T148 E150 F151 D211 P212 S263 H264 | T148-Y261 HydrophobicContact CG2-CD2 4.43Å; T148-Y261 HydrophobicContact CG2-CE2 4.3Å; E150-Y261 WeakPolarHBondContact OE2-CD2 3.47Å; F151-Y261 PolarHBondContact O-N 3.03Å; D211-Y261 PolarHBondContact OD1-OH 3.16Å; D211-Y261 WeakPolarHBondContact OD2-CE1 3.29Å; D211-Y261 PolarHBondContact OD2-OH 2.9Å; P212-Y261 HydrophobicContact CG-CE2 4.38Å; Y261-S263 PolarHBondContact O-N 2.86Å; Y261-H264 VanDerWaalsContact O-CB 3.26Å; Y261-H264 WeakPolarHBondContact O-CB 3.44Å; Y261-H264 PolarHBondContact O-CD2 2.74Å; Y261-H264 PolarHBondContact O-N 2.97Å |
| 262 | A | 88.6 | Confident | 93.2 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 6% | 0.058 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | -124.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K6 V209 D210 D211 | K6-A262 VanDerWaalsContact CE-O 3.24Å; K6-A262 WeakPolarHBondContact CE-O 3.4Å; V209-A262 HydrophobicContact CG1-CB 4.06Å; D210-A262 WeakPolarHBondContact O-CB 3.36Å; D211-A262 HydrophobicContact CB-CB 4.44Å |
| 263 | S | 88.5 | Confident | 93.4 | Very high | 10 Ų | 10 | 46.1 Ų | 46.1 | 7% | 0.07 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 20.7 | 178.4 | 51.3 | 0 | 0 | 0 | 0 | 112.9 | V209 D210 Y261 S265 D266 I267 | V209-S263 WeakPolarHBondContact CG1-OG 3.36Å; D210-S263 PolarHBondContact N-OG 2.8Å; Y261-S263 PolarHBondContact O-N 2.86Å; S263-S265 PolarHBondContact O-N 2.75Å; S263-D266 WeakPolarHBondContact O-CB 3.37Å; S263-D266 PolarHBondContact O-N 2.98Å; S263-I267 PolarHBondContact O-N 3.25Å |
| 264 | H | 92.1 | Very high | 93.5 | Very high | 12 Ų | 12 | 47.9 Ų | 47.9 | 6% | 0.056 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62 | -31 | -176.6 | -68.3 | -171.4 | 0 | 0 | 0 | 112.6 | D113 I153 F260 Y261 D266 I267 L268 | D113-H264 IonicContact OD1-CE1 3.8Å; D113-H264 IonicContact OD1-NE2 3.57Å; I153-H264 HydrophobicContact CD1-CB 3.91Å; I153-H264 HydrophobicContact CG1-CB 4.24Å; I153-H264 PolarHBondContact N-ND1 2.92Å; I153-H264 VanDerWaalsContact N-ND1 3.15Å; F260-H264 HydrophobicContact CB-CB 3.93Å; Y261-H264 VanDerWaalsContact O-CB 3.26Å; Y261-H264 WeakPolarHBondContact O-CB 3.44Å; Y261-H264 PolarHBondContact O-CD2 2.74Å; Y261-H264 PolarHBondContact O-N 2.97Å; H264-D266 PolarHBondContact O-N 3.41Å; H264-I267 WeakPolarHBondContact O-CB 3.43Å; H264-I267 PolarHBondContact O-N 2.87Å; H264-I267 VanDerWaalsContact O-N 3.13Å; H264-L268 VanDerWaalsContact O-CG 3.29Å; H264-L268 WeakPolarHBondContact O-CG 3.37Å; H264-L268 PolarHBondContact O-N 2.9Å |
| 265 | S | 93.9 | Very high | 93.6 | Very high | 34 Ų | 34 | 49.3 Ų | 49.3 | 24% | 0.238 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.7 | -36.2 | 172.1 | -58.8 | 0 | 0 | 0 | 0 | 112.9 | S263 L268 A269 W279 | S263-S265 PolarHBondContact O-N 2.75Å; S265-L268 PolarHBondContact O-N 3.11Å; S265-A269 WeakPolarHBondContact O-CB 3.47Å; S265-A269 PolarHBondContact O-N 2.66Å; S265-W279 WeakPolarHBondContact O-CZ2 3.47Å |
| 266 | D | 93.9 | Very high | 93.9 | Very high | 102 Ų | 102 | 50.2 Ų | 50.2 | 55% | 0.545 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -71.7 | -35.6 | 178.3 | -64.2 | -34.8 | 0 | 0 | 0 | 111.5 | S263 H264 K270 | S263-D266 WeakPolarHBondContact O-CB 3.37Å; S263-D266 PolarHBondContact O-N 2.98Å; H264-D266 PolarHBondContact O-N 3.41Å; D266-K270 WeakPolarHBondContact O-CG 3.49Å; D266-K270 PolarHBondContact O-N 2.91Å |
| 267 | I | 96.6 | Very high | 94.2 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.1 | -43.7 | 174.3 | -64.9 | 171.8 | 0 | 0 | 0 | 110.2 | L115 I153 V204 Y205 T222 A224 S263 H264 K270 L271 | L115-I267 HydrophobicContact CD1-CG2 3.81Å; I153-I267 HydrophobicContact CD1-CB 4.08Å; I153-I267 HydrophobicContact CD1-CD1 4.49Å; I153-I267 HydrophobicContact CD1-CG2 3.74Å; V204-I267 HydrophobicContact CG1-CG2 4.34Å; Y205-I267 HydrophobicContact CD1-CD1 4.07Å; Y205-I267 HydrophobicContact CD1-CG1 3.94Å; Y205-I267 HydrophobicContact CG-CG1 4.26Å; T222-I267 HydrophobicContact CG2-CD1 4.11Å; A224-I267 HydrophobicContact CB-CD1 4.3Å; A224-I267 HydrophobicContact CB-CG2 3.66Å; S263-I267 PolarHBondContact O-N 3.25Å; H264-I267 WeakPolarHBondContact O-CB 3.43Å; H264-I267 PolarHBondContact O-N 2.87Å; H264-I267 VanDerWaalsContact O-N 3.13Å; I267-K270 WeakPolarHBondContact O-CB 3.41Å; I267-K270 PolarHBondContact O-N 3.36Å; I267-L271 PolarHBondContact O-N 2.88Å |
| 268 | L | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.3 | -36.2 | 177.2 | -66.5 | 171.8 | 0 | 0 | 0 | 112.2 | L115 F140 I153 L254 F260 H264 S265 K270 L271 A272 W279 | L115-L268 HydrophobicContact CD2-CD2 3.67Å; F140-L268 HydrophobicContact CD1-CD2 3.96Å; F140-L268 HydrophobicContact CD2-CD2 3.96Å; F140-L268 HydrophobicContact CE1-CD1 3.94Å; F140-L268 HydrophobicContact CE1-CD2 3.87Å; F140-L268 HydrophobicContact CE2-CD1 4.42Å; F140-L268 HydrophobicContact CE2-CD2 3.89Å; F140-L268 HydrophobicContact CG-CD2 3.98Å; F140-L268 HydrophobicContact CZ-CD1 3.72Å; F140-L268 HydrophobicContact CZ-CD2 3.82Å; F140-L268 HydrophobicContact CZ-CG 4.43Å; I153-L268 HydrophobicContact CD1-CD2 4.3Å; I153-L268 HydrophobicContact CD1-CG 4.35Å; I153-L268 HydrophobicContact CG1-CD2 4.31Å; L254-L268 HydrophobicContact CD2-CB 4.24Å; L254-L268 HydrophobicContact CD2-CD1 4.5Å; L254-L268 HydrophobicContact CD2-CD2 3.77Å; L254-L268 HydrophobicContact CD2-CG 4.38Å; F260-L268 HydrophobicContact CD1-CD1 3.99Å; F260-L268 HydrophobicContact CD2-CD1 3.67Å; F260-L268 HydrophobicContact CE1-CD1 3.95Å; F260-L268 HydrophobicContact CE2-CD1 3.59Å; F260-L268 HydrophobicContact CG-CD1 3.87Å; F260-L268 HydrophobicContact CZ-CD1 3.73Å; H264-L268 VanDerWaalsContact O-CG 3.29Å; H264-L268 WeakPolarHBondContact O-CG 3.37Å; H264-L268 PolarHBondContact O-N 2.9Å; S265-L268 PolarHBondContact O-N 3.11Å; L268-K270 VanDerWaalsContact C-N 3.32Å; L268-K270 PolarHBondContact O-N 3.38Å; L268-L271 HydrophobicContact CD2-CD2 4.43Å; L268-L271 WeakPolarHBondContact O-CB 3.49Å; L268-L271 PolarHBondContact O-N 3.35Å; L268-A272 PolarHBondContact O-N 2.85Å; L268-W279 HydrophobicContact CB-CH2 3.52Å; L268-W279 HydrophobicContact CB-CZ2 4.39Å; L268-W279 HydrophobicContact CB-CZ3 3.68Å; L268-W279 HydrophobicContact CD1-CH2 4.38Å |
| 269 | A | 96.9 | Very high | 94.7 | Very high | 20 Ų | 20 | 38.1 Ų | 38.1 | 17% | 0.165 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.1 | -40.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | S265 A272 N273 W279 | S265-A269 WeakPolarHBondContact O-CB 3.47Å; S265-A269 PolarHBondContact O-N 2.66Å; A269-A272 PolarHBondContact O-N 3.07Å; A269-N273 PolarHBondContact O-N 3.22Å; A269-N273 VanDerWaalsContact O-N 3.1Å; A269-N273 PolarHBondContact O-ND2 2.99Å; A269-N273 VanDerWaalsContact O-ND2 3.11Å; A269-W279 HydrophobicContact CB-CD2 4.26Å; A269-W279 HydrophobicContact CB-CG 4.47Å; A269-W279 HydrophobicContact CB-CZ2 3.96Å |
| 270 | K | 97.7 | Very high | 95 | Very high | 90 Ų | 90 | 35.3 Ų | 35.3 | 39% | 0.391 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.9 | -42.1 | 173.9 | -70.5 | 169.8 | -177.6 | -68.4 | 0 | 111.6 | V204 Y205 D266 I267 L268 N273 I274 | V204-K270 HydrophobicContact CG1-CB 3.62Å; Y205-K270 HydrophobicContact CD2-CD 4.02Å; Y205-K270 HydrophobicContact CG-CD 4.38Å; D266-K270 WeakPolarHBondContact O-CG 3.49Å; D266-K270 PolarHBondContact O-N 2.91Å; I267-K270 WeakPolarHBondContact O-CB 3.41Å; I267-K270 PolarHBondContact O-N 3.36Å; L268-K270 VanDerWaalsContact C-N 3.32Å; L268-K270 PolarHBondContact O-N 3.38Å; K270-N273 PolarHBondContact O-N 3.24Å; K270-I274 WeakPolarHBondContact O-CG1 3.35Å; K270-I274 PolarHBondContact O-N 3.24Å |
| 271 | L | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.4 | -48.3 | 174.9 | 177.4 | 67.3 | 0 | 0 | 0 | 111.6 | L115 L138 V204 N226 L254 I267 L268 N273 I274 H275 | L115-L271 HydrophobicContact CB-CD2 4.42Å; L115-L271 HydrophobicContact CD1-CB 4.32Å; L115-L271 HydrophobicContact CD1-CD1 4.41Å; L115-L271 HydrophobicContact CD1-CD2 4.28Å; L115-L271 HydrophobicContact CD2-CD2 4.08Å; L138-L271 HydrophobicContact CD2-CD1 4.4Å; L138-L271 HydrophobicContact CD2-CD2 4.01Å; L138-L271 HydrophobicContact CD2-CG 3.83Å; V204-L271 HydrophobicContact CG1-CB 4.32Å; V204-L271 HydrophobicContact CG2-CD1 4.26Å; N226-L271 HydrophobicContact CB-CD1 3.72Å; N226-L271 WeakPolarHBondContact OD1-CD1 3.33Å; L254-L271 HydrophobicContact CD1-CD2 4.34Å; I267-L271 PolarHBondContact O-N 2.88Å; L268-L271 HydrophobicContact CD2-CD2 4.43Å; L268-L271 WeakPolarHBondContact O-CB 3.49Å; L268-L271 PolarHBondContact O-N 3.35Å; L271-N273 VanDerWaalsContact C-N 3.27Å; L271-N273 PolarHBondContact O-N 3.2Å; L271-I274 PolarHBondContact O-N 3.14Å; L271-H275 PolarHBondContact O-CD2 2.84Å; L271-H275 PolarHBondContact O-N 3.26Å |
| 272 | A | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.8 | -40.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L254 L268 A269 H275 S276 A277 W279 | L254-A272 HydrophobicContact CD1-CB 3.86Å; L268-A272 PolarHBondContact O-N 2.85Å; A269-A272 PolarHBondContact O-N 3.07Å; A272-H275 PolarHBondContact O-N 3.1Å; A272-S276 CarbonylContact O-C 3.52Å; A272-S276 WeakPolarHBondContact O-CA 3.12Å; A272-S276 PolarHBondContact O-N 3.46Å; A272-A277 HydrophobicContact CB-CB 4.46Å; A272-A277 PolarHBondContact O-N 3.35Å; A272-W279 HydrophobicContact CB-CB 3.87Å; A272-W279 HydrophobicContact CB-CE3 4.39Å; A272-W279 HydrophobicContact CB-CG 4.34Å |
| 273 | N | 97.8 | Very high | 96 | Very high | 114 Ų | 114 | 40.1 Ų | 40.1 | 61% | 0.61 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -65.3 | -43.2 | 176.3 | -72.8 | -36.2 | 0 | 0 | 0 | 113 | A269 K270 L271 H275 S276 | A269-N273 PolarHBondContact O-N 3.22Å; A269-N273 VanDerWaalsContact O-N 3.1Å; A269-N273 PolarHBondContact O-ND2 2.99Å; A269-N273 VanDerWaalsContact O-ND2 3.11Å; K270-N273 PolarHBondContact O-N 3.24Å; L271-N273 VanDerWaalsContact C-N 3.27Å; L271-N273 PolarHBondContact O-N 3.2Å; N273-H275 PolarHBondContact O-N 2.87Å; N273-S276 PolarHBondContact O-N 3.01Å; N273-S276 VanDerWaalsContact O-N 3.13Å |
| 274 | I | 97.5 | Very high | 96.5 | Very high | 76 Ų | 76 | 42 Ų | 42 | 39% | 0.39 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -56.4 | -41.9 | 177.4 | -74.3 | 166.3 | 0 | 0 | 0 | 110.9 | V204 K270 L271 | V204-I274 HydrophobicContact CB-CD1 4.08Å; V204-I274 HydrophobicContact CG1-CD1 3.97Å; V204-I274 HydrophobicContact CG2-CD1 3.8Å; K270-I274 WeakPolarHBondContact O-CG1 3.35Å; K270-I274 PolarHBondContact O-N 3.24Å; L271-I274 PolarHBondContact O-N 3.14Å |
| 275 | H | 97.5 | Very high | 96.8 | Very high | 34 Ų | 34 | 44 Ų | 44 | 16% | 0.157 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 0.4 | -179.3 | -73.2 | -71.3 | 0 | 0 | 0 | 114.3 | W119 L138 N226 H228 L271 A272 N273 A277 | W119-H275 HydrophobicContact CH2-CB 3.84Å; W119-H275 WeakPolarHBondContact CH2-O 3.22Å; W119-H275 HydrophobicContact CZ2-CB 4.28Å; L138-H275 HydrophobicContact CD2-CB 4.13Å; N226-H275 PolarHBondContact OD1-NE2 2.7Å; H228-H275 AromaticContact CD2-CE1 3.67Å; H228-H275 AromaticContact CG-CE1 3.47Å; H228-H275 VanDerWaalsContact CG-CE1 3.47Å; H228-H275 AromaticContact CG-NE2 3.97Å; H228-H275 AromaticContact ND1-CE1 3.87Å; L271-H275 PolarHBondContact O-CD2 2.84Å; L271-H275 PolarHBondContact O-N 3.26Å; A272-H275 PolarHBondContact O-N 3.1Å; N273-H275 PolarHBondContact O-N 2.87Å; H275-A277 HydrophobicContact CB-CB 4.32Å; H275-A277 PolarHBondContact O-N 3.35Å |
| 276 | S | 97.6 | Very high | 97 | Very high | 84 Ų | 84 | 44.7 Ų | 44.7 | 59% | 0.587 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 32.5 | -170.5 | -60.8 | 0 | 0 | 0 | 0 | 113.9 | A272 N273 | A272-S276 CarbonylContact O-C 3.52Å; A272-S276 WeakPolarHBondContact O-CA 3.12Å; A272-S276 PolarHBondContact O-N 3.46Å; N273-S276 PolarHBondContact O-N 3.01Å; N273-S276 VanDerWaalsContact O-N 3.13Å |
| 277 | A | 97.8 | Very high | 97.3 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 2% | 0.017 | 21% | 0.211 | C | C | . | . | trans | -83.3 | 171.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | W119 K135 S136 L138 A272 H275 | W119-A277 HydrophobicContact CH2-CB 4.32Å; W119-A277 HydrophobicContact CZ3-CB 3.97Å; K135-A277 VanDerWaalsContact CD-O 3.32Å; K135-A277 WeakPolarHBondContact CD-O 3.42Å; S136-A277 WeakPolarHBondContact O-CA 3.4Å; L138-A277 HydrophobicContact CB-CB 3.7Å; L138-A277 HydrophobicContact CD2-CB 4.35Å; A272-A277 HydrophobicContact CB-CB 4.46Å; A272-A277 PolarHBondContact O-N 3.35Å; H275-A277 HydrophobicContact CB-CB 4.32Å; H275-A277 PolarHBondContact O-N 3.35Å | ||
| 278 | H | 97 | Very high | 97.3 | Very high | 38 Ų | 38 | 43.4 Ų | 43.4 | 18% | 0.176 | 23% | 0.228 | C | C | . | . | trans | -66.2 | 145.3 | 168.9 | -174.8 | 65.8 | 0 | 0 | 0 | 111.8 | N130 S133 K135 S136 L137 | N130-H278 HydrophobicContact CB-CB 3.99Å; N130-H278 PolarHBondContact ND2-CE1 2.84Å; N130-H278 PolarHBondContact ND2-NE2 2.99Å; N130-H278 PolarHBondContact OD1-CE1 3.11Å; S133-H278 PolarHBondContact OG-ND1 3.09Å; K135-H278 HydrophobicContact CB-CB 4.3Å; S136-H278 PolarHBondContact O-N 3.06Å; L137-H278 HydrophobicContact CD2-CB 4.03Å | ||
| 279 | W | 94.6 | Very high | 97.3 | Very high | 63 Ų | 63 | 47.4 Ų | 47.4 | 24% | 0.239 | 25% | 0.248 | C | C | . | . | trans | -141.8 | 0 | 174.9 | -176.1 | -120.1 | 0 | 0 | 0 | 111.8 | L254 R256 S265 L268 A269 A272 | L254-W279 HydrophobicContact CB-CE3 3.95Å; L254-W279 HydrophobicContact CB-CZ3 4.02Å; L254-W279 HydrophobicContact CD1-CE3 4.39Å; L254-W279 HydrophobicContact CD2-CZ3 4.26Å; R256-W279 HydrophobicContact CB-CD2 4.25Å; R256-W279 HydrophobicContact CB-CG 4.41Å; R256-W279 HydrophobicContact CB-CZ2 4.41Å; R256-W279 WeakPolarHBondContact CB-OXT 3.37Å; R256-W279 PolarHBondContact N-OXT 3.43Å; S265-W279 WeakPolarHBondContact O-CZ2 3.47Å; L268-W279 HydrophobicContact CB-CH2 3.52Å; L268-W279 HydrophobicContact CB-CZ2 4.39Å; L268-W279 HydrophobicContact CB-CZ3 3.68Å; L268-W279 HydrophobicContact CD1-CH2 4.38Å; A269-W279 HydrophobicContact CB-CD2 4.26Å; A269-W279 HydrophobicContact CB-CG 4.47Å; A269-W279 HydrophobicContact CB-CZ2 3.96Å; A272-W279 HydrophobicContact CB-CB 3.87Å; A272-W279 HydrophobicContact CB-CE3 4.39Å; A272-W279 HydrophobicContact CB-CG 4.34Å |
Retrieved 279 of 279 residues in 120.8 ms
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