| 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 | 85.5 | Confident | 163 Ų | 163 | 82.1 Ų | 82.1 | 80% | 0.803 | 43% | 0.427 | S | S | * | . | 0 | 111.3 | 0 | -62.1 | -81.3 | -103.8 | 0 | 0 | 106.8 | P53 Y89 | M1-P53 HydrophobicContact CB-CG 4.38Å; M1-P53 HydrophobicContact CE-CG 3.43Å; M1-P53 VanDerWaalsContact CE-CG 3.43Å; M1-P53 HydrophobicContact SD-CG 3.43Å; M1-P53 WeakPolarHBondContact SD-CG 3.45Å; M1-Y89 HydrophobicContact CB-CE1 4.23Å; M1-Y89 HydrophobicContact CE-CE1 3.92Å; M1-Y89 WeakPolarHBondContact CE-OH 3.38Å | |||
| 2 | S | 76.6 | Confident | 85.8 | Confident | 26 Ų | 26 | 78.3 Ų | 78.3 | 18% | 0.182 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -85.5 | 134.6 | -175.6 | 55.5 | 0 | 0 | 0 | 0 | 111.7 | E59 | S2-E59 WeakPolarHBondContact CB-OE2 3.45Å; S2-E59 PolarHBondContact OG-OE2 3.23Å |
| 3 | L | 89.5 | Confident | 86.1 | Confident | 70 Ų | 70 | 85.3 Ų | 85.3 | 37% | 0.366 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 131.5 | 174.5 | -169.5 | 77.1 | 0 | 0 | 0 | 109 | K5 Y89 D91 | L3-K5 PolarHBondContact O-N 3.02Å; L3-Y89 VanDerWaalsContact CD1-C 3.48Å; L3-D91 HydrophobicContact CD2-CB 3.76Å; L3-D91 HydrophobicContact CG-CB 4.12Å |
| 4 | L | 92.4 | Very high | 86.5 | Confident | 15 Ų | 15 | 85 Ų | 85 | 8% | 0.079 | 46% | 0.457 | C | S | . | . | B | Isolated β-bridge | trans | -73.8 | 124.2 | 174.6 | -169.5 | 70.8 | 0 | 0 | 0 | 109.3 | L19 I65 V68 Y89 L90 D91 Y94 | L4-L19 HydrophobicContact CD2-CD2 4.36Å; L4-I65 HydrophobicContact CD1-CD1 3.97Å; L4-I65 HydrophobicContact CD2-CD1 3.96Å; L4-V68 HydrophobicContact CD2-CG2 4.09Å; L4-Y89 PolarHBondContact N-O 3.4Å; L4-L90 HydrophobicContact CB-CD2 3.95Å; L4-L90 HydrophobicContact CD2-CD2 3.78Å; L4-L90 HydrophobicContact CG-CD2 4.44Å; L4-D91 WeakPolarHBondContact O-CB 3.49Å; L4-D91 PolarHBondContact O-N 3.43Å; L4-Y94 HydrophobicContact CB-CE2 4.12Å; L4-Y94 HydrophobicContact CD2-CE1 4.48Å; L4-Y94 HydrophobicContact CD2-CE2 3.82Å; L4-Y94 HydrophobicContact CG-CE2 3.67Å; L4-Y94 WeakPolarHBondContact O-CD2 3.42Å; L4-Y94 VanDerWaalsContact O-CE2 3.27Å; L4-Y94 WeakPolarHBondContact O-CE2 3.47Å |
| 5 | K | 91.9 | Very high | 87.1 | Confident | 116 Ų | 116 | 81 Ų | 81 | 50% | 0.504 | 44% | 0.436 | S | S | . | . | trans | -112.6 | 129.8 | -177.9 | -64.3 | 177.4 | -176.6 | 178.5 | 0 | 111.1 | L3 F7 S8 D91 | L3-K5 PolarHBondContact O-N 3.02Å; K5-F7 VanDerWaalsContact C-N 3.35Å; K5-F7 PolarHBondContact O-N 2.96Å; K5-S8 PolarHBondContact O-OG 3.34Å; K5-D91 HydrophobicContact CG-CB 4.2Å | ||
| 6 | P | 88.1 | Confident | 87.7 | Confident | 1 Ų | 1 | 75.9 Ų | 75.9 | 1% | 0.006 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -20 | -174.8 | 27 | -30.8 | 0 | 0 | 0 | 114 | R64 Y94 K98 | P6-R64 PolarHBondContact O-NE 3.49Å; P6-Y94 HydrophobicContact CB-CD1 4.13Å; P6-Y94 HydrophobicContact CB-CD2 3.99Å; P6-Y94 HydrophobicContact CB-CE1 3.88Å; P6-Y94 HydrophobicContact CB-CE2 3.74Å; P6-Y94 HydrophobicContact CB-CG 4.15Å; P6-Y94 VanDerWaalsContact CD-CE2 3.41Å; P6-Y94 HydrophobicContact CG-CD2 3.89Å; P6-Y94 HydrophobicContact CG-CE2 4Å; P6-Y94 HydrophobicContact CG-CG 4.23Å; P6-Y94 VanDerWaalsContact N-CE2 3.3Å; P6-K98 HydrophobicContact CB-CD 3.71Å |
| 7 | F | 85.8 | Confident | 88.2 | Confident | 130 Ų | 130 | 71.8 Ų | 71.8 | 57% | 0.57 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.6 | 13.8 | -173 | -51.2 | -62 | 0 | 0 | 0 | 113.5 | K5 K9 | K5-F7 VanDerWaalsContact C-N 3.35Å; K5-F7 PolarHBondContact O-N 2.96Å; F7-K9 VanDerWaalsContact C-N 3.3Å |
| 8 | S | 87.4 | Confident | 88.8 | Confident | 80 Ų | 80 | 67.9 Ų | 67.9 | 56% | 0.559 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -75.7 | -18.4 | 179.2 | 55.4 | 0 | 0 | 0 | 0 | 113.7 | K5 | K5-S8 PolarHBondContact O-OG 3.34Š|
| 9 | K | 90.6 | Very high | 89.2 | Confident | 67 Ų | 67 | 64.5 Ų | 64.5 | 29% | 0.291 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -130.8 | 149.8 | -177.3 | -61.7 | -170.6 | -177.6 | -163.9 | 0 | 110.6 | F7 E59 E60 R62 R64 | F7-K9 VanDerWaalsContact C-N 3.3Å; K9-E59 PolarHBondContact NZ-O 3.21Å; K9-E60 PolarHBondContact NZ-O 3.36Å; K9-R62 WeakPolarHBondContact CD-O 3.44Å; K9-R62 WeakPolarHBondContact CE-O 3.35Å; K9-R62 PolarHBondContact NZ-O 2.73Å; K9-R64 HydrophobicContact CB-CB 4Å; K9-R64 WeakPolarHBondContact O-CD 3.31Å |
| 10 | L | 89.8 | Confident | 89.7 | Confident | 155 Ų | 155 | 61.3 Ų | 61.3 | 81% | 0.812 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 147.5 | 178.5 | -64.9 | 175.9 | 0 | 0 | 0 | 111.4 | ||
| 11 | P | 88.6 | Confident | 90 | Very high | 80 Ų | 80 | 58.6 Ų | 58.6 | 52% | 0.519 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 144 | 170.5 | 14.5 | -17 | 0 | 0 | 0 | 111.6 | ||
| 12 | G | 88.9 | Confident | 91.8 | Very high | 37 Ų | 37 | 50.9 Ų | 50.9 | 38% | 0.381 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 150.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | N14 | G12-N14 PolarHBondContact O-N 2.96Š|
| 13 | L | 89.7 | Confident | 92.6 | Very high | 169 Ų | 169 | 52.3 Ų | 52.3 | 89% | 0.885 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | 130.6 | 175.3 | -166.5 | 114.2 | 0 | 0 | 0 | 110.2 | T15 | L13-T15 PolarHBondContact O-N 3.13Å; L13-T15 PolarHBondContact O-OG1 3.33Å |
| 14 | N | 92.9 | Very high | 92.3 | Very high | 81 Ų | 81 | 51.9 Ų | 51.9 | 43% | 0.433 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.1 | 35 | 178.5 | -163.5 | 41.4 | 0 | 0 | 0 | 114.1 | G12 T41 N43 | G12-N14 PolarHBondContact O-N 2.96Å; N14-T41 PolarHBondContact ND2-O 3.16Å; N14-N43 PolarHBondContact O-N 3.41Å |
| 15 | T | 95.3 | Very high | 91.7 | Very high | 25 Ų | 25 | 54.5 Ų | 54.5 | 15% | 0.153 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 139.5 | -174.3 | -58.9 | 0 | 0 | 0 | 0 | 109.3 | L13 N43 N45 | L13-T15 PolarHBondContact O-N 3.13Å; L13-T15 PolarHBondContact O-OG1 3.33Å; T15-N43 CarbonylContact C-O 3.59Å; T15-N43 VanDerWaalsContact CA-O 3.26Å; T15-N43 WeakPolarHBondContact CA-O 3.47Å; T15-N43 HydrophobicContact CG2-CB 4.48Å; T15-N43 WeakPolarHBondContact CG2-O 3.46Å; T15-N45 WeakPolarHBondContact CG2-ND2 3.42Å |
| 16 | A | 96.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 131 | 173 | 0 | 0 | 0 | 0 | 0 | 110.3 | V42 N43 V44 N45 L152 A156 L158 | A16-V42 HydrophobicContact CB-CG1 4.13Å; A16-N43 PolarHBondContact N-O 2.84Å; A16-V44 WeakPolarHBondContact O-CA 3.5Å; A16-N45 PolarHBondContact O-N 2.66Å; A16-L152 HydrophobicContact CB-CD1 3.93Å; A16-L152 HydrophobicContact CB-CD2 3.92Å; A16-L152 HydrophobicContact CB-CG 3.74Å; A16-A156 HydrophobicContact CB-CB 3.68Å; A16-L158 HydrophobicContact CB-CD1 3.96Å |
| 17 | N | 96.7 | Very high | 91.3 | Very high | 6 Ų | 6 | 56.2 Ų | 56.2 | 3% | 0.032 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 121.8 | -177.2 | -52.8 | -86.3 | 0 | 0 | 0 | 109.9 | N45 R64 D66 L67 | N17-N45 WeakPolarHBondContact CA-O 3.34Å; N17-N45 WeakPolarHBondContact OD1-CB 3.44Å; N17-N45 PolarHBondContact OD1-ND2 3.35Å; N17-R64 WeakPolarHBondContact CB-O 3.48Å; N17-R64 VanDerWaalsContact CG-O 3.25Å; N17-R64 PolarHBondContact ND2-O 3.25Å; N17-R64 VanDerWaalsContact ND2-O 3.08Å; N17-D66 PolarHBondContact N-OD2 3.45Å; N17-D66 PolarHBondContact ND2-OD2 2.79Å; N17-D66 WeakPolarHBondContact O-CB 3.46Å; N17-D66 PolarHBondContact O-N 3.37Å; N17-L67 PolarHBondContact O-N 2.83Å |
| 18 | I | 97.5 | Very high | 91.6 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 134.3 | 179.5 | -173.4 | 172.6 | 0 | 0 | 0 | 109.9 | L20 V44 N45 V46 R47 L67 V69 L152 | I18-L20 HydrophobicContact CD1-CD2 3.8Å; I18-L20 HydrophobicContact CG1-CD2 3.93Å; I18-V44 HydrophobicContact CG2-CG1 4.34Å; I18-N45 PolarHBondContact N-O 3.26Å; I18-V46 HydrophobicContact CG2-CB 4.04Å; I18-V46 HydrophobicContact CG2-CG1 4.04Å; I18-V46 HydrophobicContact CG2-CG2 3.68Å; I18-R47 PolarHBondContact O-N 2.99Å; I18-L67 WeakPolarHBondContact CA-O 3.32Å; I18-L67 HydrophobicContact CD1-CD2 4.02Å; I18-L67 HydrophobicContact CG1-CB 4.37Å; I18-L67 HydrophobicContact CG1-CD2 4.36Å; I18-L67 HydrophobicContact CG1-CG 4.48Å; I18-V69 HydrophobicContact CD1-CG2 3.79Å; I18-V69 HydrophobicContact CG1-CG2 4.03Å; I18-L152 HydrophobicContact CB-CD1 3.94Å; I18-L152 HydrophobicContact CB-CD2 3.93Å; I18-L152 HydrophobicContact CD1-CD2 4.45Å; I18-L152 HydrophobicContact CG2-CD2 4.11Å |
| 19 | L | 97.6 | Very high | 91.9 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 114.4 | 172 | -178.8 | 70.6 | 0 | 0 | 0 | 109.1 | L4 V21 R47 A49 L52 L54 I65 L67 V68 V69 | L4-L19 HydrophobicContact CD2-CD2 4.36Å; L19-V21 HydrophobicContact CD2-CG2 3.93Å; L19-V21 HydrophobicContact CG-CG2 3.94Å; L19-R47 CarbonylContact C-O 3.57Å; L19-R47 WeakPolarHBondContact CA-O 3.24Å; L19-R47 HydrophobicContact CD1-CB 3.8Å; L19-A49 HydrophobicContact CD1-CB 4.08Å; L19-L52 HydrophobicContact CD2-CD2 4.14Å; L19-L54 HydrophobicContact CD2-CD1 4.17Å; L19-I65 HydrophobicContact CB-CD1 4.21Å; L19-I65 HydrophobicContact CB-CG2 3.74Å; L19-I65 HydrophobicContact CD2-CD1 4.11Å; L19-L67 PolarHBondContact N-O 3.23Å; L19-V68 HydrophobicContact CB-CG2 4.41Å; L19-V68 HydrophobicContact CD2-CG1 4.3Å; L19-V68 HydrophobicContact CD2-CG2 4.37Å; L19-V68 CarbonylContact O-C 3.2Å; L19-V68 WeakPolarHBondContact O-CA 3.42Å; L19-V69 PolarHBondContact O-N 3.44Å |
| 20 | L | 98 | Very high | 92.1 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 125.4 | 170.7 | -53 | -176.7 | 0 | 0 | 0 | 108.6 | I18 Q28 L31 A32 V46 R47 L48 A49 V69 I71 | I18-L20 HydrophobicContact CD1-CD2 3.8Å; I18-L20 HydrophobicContact CG1-CD2 3.93Å; L20-Q28 HydrophobicContact CB-CB 4.36Å; L20-Q28 HydrophobicContact CD1-CB 4.5Å; L20-L31 HydrophobicContact CD1-CB 4.49Å; L20-L31 HydrophobicContact CD1-CD2 4.21Å; L20-L31 HydrophobicContact CD1-CG 4.32Å; L20-L31 HydrophobicContact CD2-CD2 4.48Å; L20-A32 HydrophobicContact CD1-CB 4.11Å; L20-V46 HydrophobicContact CD1-CG1 3.73Å; L20-V46 HydrophobicContact CG-CG1 3.92Å; L20-R47 PolarHBondContact N-O 3.26Å; L20-L48 HydrophobicContact CB-CD2 3.87Å; L20-L48 HydrophobicContact CD1-CD2 3.87Å; L20-L48 HydrophobicContact CG-CD2 4.2Å; L20-L48 CarbonylContact O-C 3.56Å; L20-A49 PolarHBondContact O-N 3.42Å; L20-V69 HydrophobicContact CD2-CB 3.81Å; L20-V69 HydrophobicContact CD2-CG1 4.4Å; L20-V69 HydrophobicContact CD2-CG2 4.06Å; L20-I71 HydrophobicContact CB-CD1 4.22Å |
| 21 | V | 97.6 | Very high | 92.4 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.024 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 112.9 | 178.9 | -172.4 | 0 | 0 | 0 | 0 | 109 | L19 A49 V68 V69 F70 I71 | L19-V21 HydrophobicContact CD2-CG2 3.93Å; L19-V21 HydrophobicContact CG-CG2 3.94Å; V21-A49 CarbonylContact C-O 3.43Å; V21-A49 VanDerWaalsContact CA-O 3.24Å; V21-A49 WeakPolarHBondContact CA-O 3.35Å; V21-V68 HydrophobicContact CG2-CG1 4.02Å; V21-V69 PolarHBondContact N-O 3.1Å; V21-F70 HydrophobicContact CB-CD1 3.82Å; V21-F70 HydrophobicContact CB-CE1 4.01Å; V21-F70 HydrophobicContact CG1-CD1 3.94Å; V21-F70 HydrophobicContact CG1-CE1 3.91Å; V21-F70 HydrophobicContact CG2-CD1 4.42Å; V21-F70 HydrophobicContact CG2-CE1 4.2Å; V21-I71 PolarHBondContact O-N 2.64Å |
| 22 | E | 96.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | trans | -144 | 124.4 | -179.4 | -172.1 | -166.1 | -169.8 | 0 | 0 | 111 | E24 E25 Q26 F27 Q28 A49 R50 I71 H73 | E22-E24 VanDerWaalsContact C-N 3.33Å; E22-E24 PolarHBondContact O-N 3.47Å; E22-E25 VanDerWaalsContact OE2-C 3.27Å; E22-E25 WeakPolarHBondContact OE2-CA 3.2Å; E22-E25 PolarHBondContact OE2-N 3.47Å; E22-Q26 PolarHBondContact OE1-N 3.17Å; E22-Q26 PolarHBondContact OE2-N 3.3Å; E22-F27 WeakPolarHBondContact OE1-CB 3.32Å; E22-F27 PolarHBondContact OE1-N 2.97Å; E22-F27 PolarHBondContact OE2-N 3.38Å; E22-Q28 HydrophobicContact CB-CB 4.05Å; E22-Q28 HydrophobicContact CB-CG 4.45Å; E22-Q28 WeakPolarHBondContact OE2-CA 3.28Å; E22-Q28 WeakPolarHBondContact OE2-CB 3.46Å; E22-Q28 WeakPolarHBondContact OE2-CG 3.3Å; E22-Q28 PolarHBondContact OE2-N 3.37Å; E22-A49 PolarHBondContact N-O 2.94Å; E22-R50 CarbonylContact C-O 3.56Å; E22-R50 VanDerWaalsContact O-CA 3.3Å; E22-R50 WeakPolarHBondContact O-CA 3.36Å; E22-I71 HydrophobicContact CB-CB 3.98Å; E22-I71 HydrophobicContact CB-CD1 4.35Å; E22-I71 HydrophobicContact CB-CG2 4.46Å; E22-I71 HydrophobicContact CG-CB 4.07Å; E22-I71 HydrophobicContact CG-CG2 4.03Å; E22-H73 IonicContact OE1-CD2 3.75Å; E22-H73 PolarHBondContact OE1-CD2 2.9Å; E22-H73 IonicContact OE1-CE1 3.15Å; E22-H73 IonicContact OE1-NE2 2.64Å; E22-H73 PolarHBondContact OE1-NE2 2.98Å | ||
| 23 | N | 93.1 | Very high | 93.1 | Very high | 56 Ų | 56 | 42.9 Ų | 42.9 | 30% | 0.299 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -63.6 | -35.1 | -178.4 | -172 | 59.8 | 0 | 0 | 0 | 114.1 | R50 | N23-R50 WeakPolarHBondContact CA-O 3.41Å; N23-R50 PolarHBondContact N-O 3.08Å |
| 24 | E | 83.9 | Confident | 93.4 | Very high | 61 Ų | 61 | 36 Ų | 36 | 29% | 0.285 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -101 | -9.8 | -167.5 | -68.6 | 166.8 | 167 | 0 | 0 | 113.8 | E22 Q26 H73 S76 | E22-E24 VanDerWaalsContact C-N 3.33Å; E22-E24 PolarHBondContact O-N 3.47Å; E24-Q26 HydrophobicContact CB-CG 4.38Å; E24-Q26 PolarHBondContact O-N 3.31Å; E24-H73 WeakPolarHBondContact OE2-CB 3.12Å; E24-H73 IonicContact OE2-CD2 3.39Å; E24-H73 PolarHBondContact OE2-CD2 2.81Å; E24-H73 IonicContact OE2-CG 2.64Å; E24-S76 WeakPolarHBondContact OE1-CB 3.25Å; E24-S76 PolarHBondContact OE1-OG 3.14Å |
| 25 | E | 79.5 | Confident | 93.6 | Very high | 70 Ų | 70 | 32.2 Ų | 32.2 | 33% | 0.327 | 16% | 0.159 | S | C | . | . | trans | 55.3 | 14.2 | 178.2 | -50.2 | -167.8 | 143.5 | 0 | 0 | 116.6 | E22 Q28 R50 | E22-E25 VanDerWaalsContact OE2-C 3.27Å; E22-E25 WeakPolarHBondContact OE2-CA 3.2Å; E22-E25 PolarHBondContact OE2-N 3.47Å; E25-Q28 HydrophobicContact CB-CG 4.37Å; E25-Q28 VanDerWaalsContact CG-NE2 3.27Å; E25-R50 HydrophobicContact CG-CG 3.85Å; E25-R50 WeakPolarHBondContact OE1-CD 3.39Å; E25-R50 WeakPolarHBondContact OE1-CG 3.37Å; E25-R50 IonicContact OE1-CZ 3.32Å; E25-R50 IonicContact OE1-NE 3.16Å; E25-R50 PolarHBondContact OE1-NE 2.84Å; E25-R50 IonicContact OE1-NH2 2.69Å; E25-R50 IonicContact OE2-CZ 3.35Å; E25-R50 VanDerWaalsContact OE2-CZ 3.32Å; E25-R50 IonicContact OE2-NE 3.71Å; E25-R50 PolarHBondContact OE2-NE 2.92Å; E25-R50 VanDerWaalsContact OE2-NE 3.16Å; E25-R50 IonicContact OE2-NH2 3.47Å; E25-R50 PolarHBondContact OE2-NH2 3.26Å | ||
| 26 | Q | 80.6 | Confident | 93.6 | Very high | 149 Ų | 149 | 34.7 Ų | 34.7 | 70% | 0.696 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -38.5 | -175.8 | -65.5 | -176.3 | 1.5 | 0 | 0 | 112.1 | E22 E24 | E22-Q26 PolarHBondContact OE1-N 3.17Å; E22-Q26 PolarHBondContact OE2-N 3.3Å; E24-Q26 HydrophobicContact CB-CG 4.38Å; E24-Q26 PolarHBondContact O-N 3.31Å |
| 27 | F | 90 | Very high | 93.5 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 2% | 0.022 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -30.9 | -173.4 | -176 | -121.3 | 0 | 0 | 0 | 112.9 | E22 Q29 K30 L31 I71 L102 T104 A133 D135 V141 | E22-F27 WeakPolarHBondContact OE1-CB 3.32Å; E22-F27 PolarHBondContact OE1-N 2.97Å; E22-F27 PolarHBondContact OE2-N 3.38Å; F27-Q29 VanDerWaalsContact C-N 3.3Å; F27-Q29 PolarHBondContact O-N 3.08Å; F27-K30 PolarHBondContact O-N 3.4Å; F27-L31 HydrophobicContact CD1-CD2 4.32Å; F27-L31 HydrophobicContact CE1-CB 4.32Å; F27-L31 HydrophobicContact CE1-CD2 3.86Å; F27-L31 HydrophobicContact CE1-CG 4.48Å; F27-L31 HydrophobicContact CZ-CB 4.38Å; F27-L31 HydrophobicContact CZ-CD1 4.35Å; F27-L31 HydrophobicContact CZ-CD2 4.46Å; F27-L31 WeakPolarHBondContact O-CB 3.45Å; F27-L31 PolarHBondContact O-N 3.27Å; F27-I71 HydrophobicContact CD1-CD1 4.3Å; F27-I71 HydrophobicContact CD1-CG2 3.83Å; F27-L102 HydrophobicContact CD1-CD2 4.44Å; F27-L102 HydrophobicContact CE1-CD2 3.71Å; F27-T104 HydrophobicContact CD1-CG2 3.68Å; F27-T104 HydrophobicContact CE1-CG2 3.83Å; F27-T104 HydrophobicContact CG-CG2 4.14Å; F27-T104 HydrophobicContact CZ-CG2 4.44Å; F27-A133 HydrophobicContact CE1-CB 4.12Å; F27-A133 HydrophobicContact CZ-CB 4.06Å; F27-D135 HydrophobicContact CD2-CB 3.58Å; F27-D135 HydrophobicContact CE2-CB 3.69Å; F27-D135 HydrophobicContact CG-CB 4.24Å; F27-D135 HydrophobicContact CZ-CB 4.41Å; F27-V141 HydrophobicContact CE2-CB 4.33Å; F27-V141 HydrophobicContact CE2-CG1 4.03Å; F27-V141 HydrophobicContact CE2-CG2 3.67Å; F27-V141 HydrophobicContact CZ-CG1 4.32Å; F27-V141 HydrophobicContact CZ-CG2 4.41Å |
| 28 | Q | 93.4 | Very high | 93.3 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.2 | -38.6 | -173.7 | 71.7 | -178.9 | 8.5 | 0 | 0 | 112.5 | L20 E22 E25 A32 L48 I71 | L20-Q28 HydrophobicContact CB-CB 4.36Å; L20-Q28 HydrophobicContact CD1-CB 4.5Å; E22-Q28 HydrophobicContact CB-CB 4.05Å; E22-Q28 HydrophobicContact CB-CG 4.45Å; E22-Q28 WeakPolarHBondContact OE2-CA 3.28Å; E22-Q28 WeakPolarHBondContact OE2-CB 3.46Å; E22-Q28 WeakPolarHBondContact OE2-CG 3.3Å; E22-Q28 PolarHBondContact OE2-N 3.37Å; E25-Q28 HydrophobicContact CB-CG 4.37Å; E25-Q28 VanDerWaalsContact CG-NE2 3.27Å; Q28-A32 WeakPolarHBondContact O-CB 3.37Å; Q28-A32 PolarHBondContact O-N 2.88Å; Q28-L48 HydrophobicContact CB-CD2 4.05Å; Q28-L48 HydrophobicContact CG-CD1 4.21Å; Q28-L48 HydrophobicContact CG-CD2 4.06Å; Q28-I71 HydrophobicContact CB-CD1 3.97Å |
| 29 | Q | 94.3 | Very high | 92.9 | Very high | 98 Ų | 98 | 44.5 Ų | 44.5 | 46% | 0.458 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -69.3 | -50.5 | -176.5 | -169.8 | 73.4 | 43.5 | 0 | 0 | 110.1 | F27 L31 A32 D33 L48 | F27-Q29 VanDerWaalsContact C-N 3.3Å; F27-Q29 PolarHBondContact O-N 3.08Å; Q29-L31 VanDerWaalsContact C-N 3.28Å; Q29-L31 PolarHBondContact O-N 3.28Å; Q29-A32 WeakPolarHBondContact O-CB 3.44Å; Q29-A32 PolarHBondContact O-N 3.27Å; Q29-A32 VanDerWaalsContact O-N 3.14Å; Q29-D33 VanDerWaalsContact O-CG 3.27Å; Q29-D33 PolarHBondContact O-N 3.22Å; Q29-L48 VanDerWaalsContact OE1-CD1 3.27Å |
| 30 | K | 94.7 | Very high | 92.5 | Very high | 78 Ų | 78 | 53.3 Ų | 53.3 | 34% | 0.339 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.2 | -40.9 | 177.1 | -171.6 | -175.9 | 175.8 | -172.6 | 0 | 111.4 | F27 T34 D135 V141 | F27-K30 PolarHBondContact O-N 3.4Å; K30-T34 WeakPolarHBondContact O-CB 3.46Å; K30-T34 PolarHBondContact O-N 3.49Å; K30-T34 VanDerWaalsContact O-N 3.11Å; K30-T34 PolarHBondContact O-OG1 2.75Å; K30-D135 PolarHBondContact NZ-O 3.27Å; K30-V141 HydrophobicContact CD-CG2 3.92Å; K30-V141 VanDerWaalsContact CE-CG2 3.45Å; K30-V141 HydrophobicContact CG-CG1 4.26Å; K30-V141 HydrophobicContact CG-CG2 4.46Å |
| 31 | L | 96.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.8 | -43.5 | 176.2 | -177.9 | 62.8 | 0 | 0 | 0 | 111.7 | L20 F27 Q29 T34 V35 I71 L102 V141 A144 A145 L148 | L20-L31 HydrophobicContact CD1-CB 4.49Å; L20-L31 HydrophobicContact CD1-CD2 4.21Å; L20-L31 HydrophobicContact CD1-CG 4.32Å; L20-L31 HydrophobicContact CD2-CD2 4.48Å; F27-L31 HydrophobicContact CD1-CD2 4.32Å; F27-L31 HydrophobicContact CE1-CB 4.32Å; F27-L31 HydrophobicContact CE1-CD2 3.86Å; F27-L31 HydrophobicContact CE1-CG 4.48Å; F27-L31 HydrophobicContact CZ-CB 4.38Å; F27-L31 HydrophobicContact CZ-CD1 4.35Å; F27-L31 HydrophobicContact CZ-CD2 4.46Å; F27-L31 WeakPolarHBondContact O-CB 3.45Å; F27-L31 PolarHBondContact O-N 3.27Å; Q29-L31 VanDerWaalsContact C-N 3.28Å; Q29-L31 PolarHBondContact O-N 3.28Å; L31-T34 PolarHBondContact O-N 3.46Å; L31-V35 HydrophobicContact CD1-CG2 4.33Å; L31-V35 HydrophobicContact CG-CG2 4.43Å; L31-V35 WeakPolarHBondContact O-CB 3.4Å; L31-V35 VanDerWaalsContact O-CG2 3.25Å; L31-V35 WeakPolarHBondContact O-CG2 3.27Å; L31-V35 PolarHBondContact O-N 3.1Å; L31-I71 HydrophobicContact CD2-CD1 3.91Å; L31-L102 HydrophobicContact CD2-CD2 3.62Å; L31-V141 HydrophobicContact CD1-CG1 4.18Å; L31-A144 HydrophobicContact CD1-CB 4.31Å; L31-A145 HydrophobicContact CD1-CB 3.99Å; L31-L148 HydrophobicContact CD1-CD1 4.19Å; L31-L148 HydrophobicContact CD2-CD1 3.69Å; L31-L148 HydrophobicContact CG-CD1 4.26Å |
| 32 | A | 96.3 | Very high | 91.9 | Very high | 6 Ų | 6 | 58.7 Ų | 58.7 | 5% | 0.05 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.5 | -48.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L20 Q28 Q29 T34 V35 V36 V46 L48 | L20-A32 HydrophobicContact CD1-CB 4.11Å; Q28-A32 WeakPolarHBondContact O-CB 3.37Å; Q28-A32 PolarHBondContact O-N 2.88Å; Q29-A32 WeakPolarHBondContact O-CB 3.44Å; Q29-A32 PolarHBondContact O-N 3.27Å; Q29-A32 VanDerWaalsContact O-N 3.14Å; A32-T34 VanDerWaalsContact C-N 3.28Å; A32-T34 PolarHBondContact O-N 3.1Å; A32-V35 PolarHBondContact O-N 3.1Å; A32-V36 WeakPolarHBondContact O-CG2 2.87Å; A32-V36 PolarHBondContact O-N 3.49Å; A32-V46 HydrophobicContact CB-CB 4.14Å; A32-V46 HydrophobicContact CB-CG1 3.51Å; A32-L48 HydrophobicContact CB-CD2 4.06Å |
| 33 | D | 95.5 | Very high | 91.8 | Very high | 84 Ų | 84 | 62.9 Ų | 62.9 | 45% | 0.449 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 178 | -62.7 | -25 | 0 | 0 | 0 | 110.4 | Q29 V36 L37 | Q29-D33 VanDerWaalsContact O-CG 3.27Å; Q29-D33 PolarHBondContact O-N 3.22Å; D33-V36 PolarHBondContact O-N 3.21Å; D33-L37 WeakPolarHBondContact O-CB 3.26Å; D33-L37 WeakPolarHBondContact O-CD1 3.48Å; D33-L37 WeakPolarHBondContact O-CG 3.3Å; D33-L37 PolarHBondContact O-N 3.02Å |
| 34 | T | 96.3 | Very high | 92 | Very high | 24 Ų | 24 | 61 Ų | 61 | 15% | 0.147 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 178.5 | -53 | 0 | 0 | 0 | 0 | 112.3 | K30 L31 A32 L37 Q38 V141 A145 | K30-T34 WeakPolarHBondContact O-CB 3.46Å; K30-T34 PolarHBondContact O-N 3.49Å; K30-T34 VanDerWaalsContact O-N 3.11Å; K30-T34 PolarHBondContact O-OG1 2.75Å; L31-T34 PolarHBondContact O-N 3.46Å; A32-T34 VanDerWaalsContact C-N 3.28Å; A32-T34 PolarHBondContact O-N 3.1Å; T34-L37 PolarHBondContact O-N 2.9Å; T34-Q38 HydrophobicContact CG2-CG 4.42Å; T34-Q38 WeakPolarHBondContact O-CB 3.49Å; T34-Q38 VanDerWaalsContact O-CG 3.3Å; T34-Q38 WeakPolarHBondContact O-CG 3.49Å; T34-Q38 PolarHBondContact O-N 3.13Å; T34-V141 HydrophobicContact CG2-CG1 4.4Å; T34-A145 HydrophobicContact CG2-CB 3.63Å |
| 35 | V | 96.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 176.9 | 165.1 | 0 | 0 | 0 | 0 | 110.9 | L31 A32 E39 V44 V46 A145 L149 | L31-V35 HydrophobicContact CD1-CG2 4.33Å; L31-V35 HydrophobicContact CG-CG2 4.43Å; L31-V35 WeakPolarHBondContact O-CB 3.4Å; L31-V35 VanDerWaalsContact O-CG2 3.25Å; L31-V35 WeakPolarHBondContact O-CG2 3.27Å; L31-V35 PolarHBondContact O-N 3.1Å; A32-V35 PolarHBondContact O-N 3.1Å; V35-E39 PolarHBondContact O-N 3.41Å; V35-V44 HydrophobicContact CG1-CG1 3.82Å; V35-V46 HydrophobicContact CB-CG2 4.36Å; V35-V46 HydrophobicContact CG1-CG2 3.88Å; V35-A145 HydrophobicContact CG2-CB 3.68Å; V35-L149 HydrophobicContact CG1-CD2 3.8Å; V35-L149 HydrophobicContact CG1-CG 4.14Å |
| 36 | V | 95.5 | Very high | 93.4 | Very high | 77 Ų | 77 | 59.3 Ų | 59.3 | 47% | 0.467 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.2 | -39.8 | 178 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | A32 D33 V46 | A32-V36 WeakPolarHBondContact O-CG2 2.87Å; A32-V36 PolarHBondContact O-N 3.49Å; D33-V36 PolarHBondContact O-N 3.21Å; V36-V46 HydrophobicContact CG2-CG2 3.75Å |
| 37 | L | 94 | Very high | 94.1 | Very high | 135 Ų | 135 | 56.3 Ų | 56.3 | 71% | 0.707 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -68.6 | -33.1 | 179.3 | -73.7 | 168.6 | 0 | 0 | 0 | 113.6 | D33 T34 | D33-L37 WeakPolarHBondContact O-CB 3.26Å; D33-L37 WeakPolarHBondContact O-CD1 3.48Å; D33-L37 WeakPolarHBondContact O-CG 3.3Å; D33-L37 PolarHBondContact O-N 3.02Å; T34-L37 PolarHBondContact O-N 2.9Å |
| 38 | Q | 91.9 | Very high | 94.3 | Very high | 54 Ų | 54 | 58.9 Ų | 58.9 | 25% | 0.252 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -76.1 | -35.9 | -178 | -80.4 | -176.2 | -1.8 | 0 | 0 | 113.3 | T34 T142 L149 | T34-Q38 HydrophobicContact CG2-CG 4.42Å; T34-Q38 WeakPolarHBondContact O-CB 3.49Å; T34-Q38 VanDerWaalsContact O-CG 3.3Å; T34-Q38 WeakPolarHBondContact O-CG 3.49Å; T34-Q38 PolarHBondContact O-N 3.13Å; Q38-T142 PolarHBondContact NE2-O 3.14Å; Q38-L149 HydrophobicContact CB-CD1 3.65Å |
| 39 | E | 90.1 | Very high | 94.4 | Very high | 25 Ų | 25 | 59.2 Ų | 59.2 | 12% | 0.117 | 30% | 0.303 | C | S | . | . | trans | -86.6 | 123.8 | -175.1 | -172 | 52.1 | -129.1 | 0 | 0 | 111.7 | V35 T41 V42 V44 L149 K153 | V35-E39 PolarHBondContact O-N 3.41Å; E39-T41 WeakPolarHBondContact OE1-CA 3.41Å; E39-T41 WeakPolarHBondContact OE1-CB 3.25Å; E39-T41 PolarHBondContact OE1-N 3.5Å; E39-T41 PolarHBondContact OE1-OG1 2.9Å; E39-V42 HydrophobicContact CG-CB 4Å; E39-V42 WeakPolarHBondContact CG-O 3.4Å; E39-V42 PolarHBondContact OE1-N 3.13Å; E39-V42 VanDerWaalsContact OE1-N 3.14Å; E39-V44 HydrophobicContact CB-CG2 3.94Å; E39-V44 HydrophobicContact CG-CG2 3.6Å; E39-L149 HydrophobicContact CB-CD1 4.19Å; E39-L149 HydrophobicContact CB-CD2 3.95Å; E39-L149 HydrophobicContact CG-CD2 4.4Å; E39-K153 VanDerWaalsContact CD-CE 3.47Å; E39-K153 VanDerWaalsContact CD-NZ 3.33Å; E39-K153 IonicContact OE1-NZ 2.73Å; E39-K153 PolarHBondContact OE1-NZ 2.72Å; E39-K153 WeakPolarHBondContact OE2-CE 3.48Å; E39-K153 IonicContact OE2-NZ 3.31Å; E39-K153 PolarHBondContact OE2-NZ 3.11Å | ||
| 40 | K | 89.3 | Confident | 94.4 | Very high | 188 Ų | 188 | 61.5 Ų | 61.5 | 82% | 0.817 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -120.2 | -12.5 | -178.3 | -59.7 | -174.2 | -178.1 | -179.5 | 0 | 113.8 | ||
| 41 | T | 89.9 | Confident | 94.5 | Very high | 99 Ų | 99 | 60.3 Ų | 60.3 | 61% | 0.607 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -105.4 | -29 | -172 | 61.2 | 0 | 0 | 0 | 0 | 113 | N14 E39 | N14-T41 PolarHBondContact ND2-O 3.16Å; E39-T41 WeakPolarHBondContact OE1-CA 3.41Å; E39-T41 WeakPolarHBondContact OE1-CB 3.25Å; E39-T41 PolarHBondContact OE1-N 3.5Å; E39-T41 PolarHBondContact OE1-OG1 2.9Å |
| 42 | V | 93.1 | Very high | 94.4 | Very high | 18 Ų | 18 | 60.7 Ų | 60.7 | 11% | 0.109 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -115.3 | 143.2 | -178.1 | 175.4 | 0 | 0 | 0 | 0 | 109.2 | A16 E39 V44 L158 | A16-V42 HydrophobicContact CB-CG1 4.13Å; E39-V42 HydrophobicContact CG-CB 4Å; E39-V42 WeakPolarHBondContact CG-O 3.4Å; E39-V42 PolarHBondContact OE1-N 3.13Å; E39-V42 VanDerWaalsContact OE1-N 3.14Å; V42-V44 HydrophobicContact CB-CG2 4.47Å; V42-V44 HydrophobicContact CG1-CG2 4.2Å; V42-V44 PolarHBondContact O-N 2.89Å; V42-L158 HydrophobicContact CB-CD1 4.22Å; V42-L158 HydrophobicContact CG1-CD1 3.31Å; V42-L158 HydrophobicContact CG2-CD1 3.83Å |
| 43 | N | 94.9 | Very high | 94.3 | Very high | 90 Ų | 90 | 62 Ų | 62 | 48% | 0.481 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 102.9 | 171 | -172.5 | 20.5 | 0 | 0 | 0 | 110.3 | N14 T15 A16 | N14-N43 PolarHBondContact O-N 3.41Å; T15-N43 CarbonylContact C-O 3.59Å; T15-N43 VanDerWaalsContact CA-O 3.26Å; T15-N43 WeakPolarHBondContact CA-O 3.47Å; T15-N43 HydrophobicContact CG2-CB 4.48Å; T15-N43 WeakPolarHBondContact CG2-O 3.46Å; A16-N43 PolarHBondContact N-O 2.84Å |
| 44 | V | 96.4 | Very high | 94.1 | Very high | 15 Ų | 15 | 59.2 Ų | 59.2 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 117.4 | -179.2 | 176.3 | 0 | 0 | 0 | 0 | 110.5 | A16 I18 V35 E39 V42 V46 L149 L152 | A16-V44 WeakPolarHBondContact O-CA 3.5Å; I18-V44 HydrophobicContact CG2-CG1 4.34Å; V35-V44 HydrophobicContact CG1-CG1 3.82Å; E39-V44 HydrophobicContact CB-CG2 3.94Å; E39-V44 HydrophobicContact CG-CG2 3.6Å; V42-V44 HydrophobicContact CB-CG2 4.47Å; V42-V44 HydrophobicContact CG1-CG2 4.2Å; V42-V44 PolarHBondContact O-N 2.89Å; V44-V46 HydrophobicContact CG1-CG2 4.12Å; V44-L149 HydrophobicContact CG1-CD2 4.48Å; V44-L149 HydrophobicContact CG2-CD2 4.02Å; V44-L152 HydrophobicContact CG1-CD2 3.8Å; V44-L152 HydrophobicContact CG2-CD2 4.27Å |
| 45 | N | 95.4 | Very high | 93.8 | Very high | 63 Ų | 63 | 62 Ų | 62 | 34% | 0.337 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 116.2 | 174 | -62.1 | -42.5 | 0 | 0 | 0 | 109.7 | T15 A16 N17 I18 | T15-N45 WeakPolarHBondContact CG2-ND2 3.42Å; A16-N45 PolarHBondContact O-N 2.66Å; N17-N45 WeakPolarHBondContact CA-O 3.34Å; N17-N45 WeakPolarHBondContact OD1-CB 3.44Å; N17-N45 PolarHBondContact OD1-ND2 3.35Å; I18-N45 PolarHBondContact N-O 3.26Å |
| 46 | V | 96.7 | Very high | 93.3 | Very high | 34 Ų | 34 | 67.6 Ų | 67.6 | 21% | 0.206 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 125.2 | 175.4 | -172.6 | 0 | 0 | 0 | 0 | 109.5 | I18 L20 A32 V35 V36 V44 L48 | I18-V46 HydrophobicContact CG2-CB 4.04Å; I18-V46 HydrophobicContact CG2-CG1 4.04Å; I18-V46 HydrophobicContact CG2-CG2 3.68Å; L20-V46 HydrophobicContact CD1-CG1 3.73Å; L20-V46 HydrophobicContact CG-CG1 3.92Å; A32-V46 HydrophobicContact CB-CB 4.14Å; A32-V46 HydrophobicContact CB-CG1 3.51Å; V35-V46 HydrophobicContact CB-CG2 4.36Å; V35-V46 HydrophobicContact CG1-CG2 3.88Å; V36-V46 HydrophobicContact CG2-CG2 3.75Å; V44-V46 HydrophobicContact CG1-CG2 4.12Å; V46-L48 HydrophobicContact CG1-CD2 4.06Å |
| 47 | R | 95.1 | Very high | 92.7 | Very high | 85 Ų | 85 | 71.4 Ų | 71.4 | 32% | 0.321 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 141.6 | 170.9 | -60.4 | -166.7 | 77.9 | 128 | -0.5 | 109.4 | I18 L19 L20 | I18-R47 PolarHBondContact O-N 2.99Å; L19-R47 CarbonylContact C-O 3.57Å; L19-R47 WeakPolarHBondContact CA-O 3.24Å; L19-R47 HydrophobicContact CD1-CB 3.8Å; L20-R47 PolarHBondContact N-O 3.26Å |
| 48 | L | 95.9 | Very high | 92.2 | Very high | 60 Ų | 60 | 68.9 Ų | 68.9 | 31% | 0.314 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 144.8 | -179.2 | -54.8 | -178.2 | 0 | 0 | 0 | 109.6 | L20 Q28 Q29 A32 V46 | L20-L48 HydrophobicContact CB-CD2 3.87Å; L20-L48 HydrophobicContact CD1-CD2 3.87Å; L20-L48 HydrophobicContact CG-CD2 4.2Å; L20-L48 CarbonylContact O-C 3.56Å; Q28-L48 HydrophobicContact CB-CD2 4.05Å; Q28-L48 HydrophobicContact CG-CD1 4.21Å; Q28-L48 HydrophobicContact CG-CD2 4.06Å; Q29-L48 VanDerWaalsContact OE1-CD1 3.27Å; A32-L48 HydrophobicContact CB-CD2 4.06Å; V46-L48 HydrophobicContact CG1-CD2 4.06Å |
| 49 | A | 95.5 | Very high | 91.8 | Very high | 10 Ų | 10 | 69.9 Ų | 69.9 | 8% | 0.083 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 146.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L19 L20 V21 E22 L54 | L19-A49 HydrophobicContact CD1-CB 4.08Å; L20-A49 PolarHBondContact O-N 3.42Å; V21-A49 CarbonylContact C-O 3.43Å; V21-A49 VanDerWaalsContact CA-O 3.24Å; V21-A49 WeakPolarHBondContact CA-O 3.35Å; E22-A49 PolarHBondContact N-O 2.94Å; A49-L54 HydrophobicContact CB-CD2 3.61Å |
| 50 | R | 94.6 | Very high | 91.4 | Very high | 145 Ų | 145 | 76.8 Ų | 76.8 | 55% | 0.547 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -76.4 | -38.8 | 174.8 | -65.8 | -174.6 | -178 | -167.4 | -9.6 | 113 | E22 N23 E25 | E22-R50 CarbonylContact C-O 3.56Å; E22-R50 VanDerWaalsContact O-CA 3.3Å; E22-R50 WeakPolarHBondContact O-CA 3.36Å; N23-R50 WeakPolarHBondContact CA-O 3.41Å; N23-R50 PolarHBondContact N-O 3.08Å; E25-R50 HydrophobicContact CG-CG 3.85Å; E25-R50 WeakPolarHBondContact OE1-CD 3.39Å; E25-R50 WeakPolarHBondContact OE1-CG 3.37Å; E25-R50 IonicContact OE1-CZ 3.32Å; E25-R50 IonicContact OE1-NE 3.16Å; E25-R50 PolarHBondContact OE1-NE 2.84Å; E25-R50 IonicContact OE1-NH2 2.69Å; E25-R50 IonicContact OE2-CZ 3.35Å; E25-R50 VanDerWaalsContact OE2-CZ 3.32Å; E25-R50 IonicContact OE2-NE 3.71Å; E25-R50 PolarHBondContact OE2-NE 2.92Å; E25-R50 VanDerWaalsContact OE2-NE 3.16Å; E25-R50 IonicContact OE2-NH2 3.47Å; E25-R50 PolarHBondContact OE2-NH2 3.26Å |
| 51 | S | 95.1 | Very high | 91.3 | Very high | 53 Ų | 53 | 71.9 Ų | 71.9 | 37% | 0.371 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -161.2 | 172.9 | -177.3 | 59.9 | 0 | 0 | 0 | 0 | 109.8 | ||
| 52 | L | 95.1 | Very high | 91.2 | Very high | 8 Ų | 8 | 68.2 Ų | 68.2 | 4% | 0.042 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -106.8 | 150.6 | 169.8 | -61 | 176.2 | 0 | 0 | 0 | 110 | L19 L54 F70 S86 Y89 L90 | L19-L52 HydrophobicContact CD2-CD2 4.14Å; L52-L54 HydrophobicContact CD2-CD1 4.46Å; L52-L54 HydrophobicContact CD2-CD2 3.84Å; L52-L54 HydrophobicContact CD2-CG 3.67Å; L52-F70 HydrophobicContact CD1-CE1 4.34Å; L52-F70 HydrophobicContact CD1-CZ 4.02Å; L52-S86 PolarHBondContact N-OG 3.38Å; L52-Y89 HydrophobicContact CB-CD2 4.06Å; L52-Y89 HydrophobicContact CB-CG 4.38Å; L52-Y89 VanDerWaalsContact O-CD2 3.31Å; L52-Y89 WeakPolarHBondContact O-CD2 3.3Å; L52-Y89 WeakPolarHBondContact O-CE2 3.42Å; L52-L90 HydrophobicContact CD1-CD2 3.54Å; L52-L90 HydrophobicContact CD1-CG 3.88Å |
| 53 | P | 94.3 | Very high | 91.1 | Very high | 34 Ų | 34 | 69.4 Ų | 69.4 | 22% | 0.221 | 36% | 0.359 | C | S | . | . | S | Bend | cis | -83.2 | 157.6 | 9.5 | 31.9 | -29.6 | 0 | 0 | 0 | 113.6 | M1 Y89 | M1-P53 HydrophobicContact CB-CG 4.38Å; M1-P53 HydrophobicContact CE-CG 3.43Å; M1-P53 VanDerWaalsContact CE-CG 3.43Å; M1-P53 HydrophobicContact SD-CG 3.43Å; M1-P53 WeakPolarHBondContact SD-CG 3.45Å; P53-Y89 HydrophobicContact CB-CD1 3.87Å; P53-Y89 HydrophobicContact CB-CD2 4.5Å; P53-Y89 HydrophobicContact CB-CE1 4.38Å; P53-Y89 HydrophobicContact CB-CG 3.93Å; P53-Y89 HydrophobicContact CG-CD1 3.97Å; P53-Y89 HydrophobicContact CG-CE1 3.96Å; P53-Y89 HydrophobicContact CG-CG 4.25Å |
| 54 | L | 91.8 | Very high | 91.1 | Very high | 26 Ų | 26 | 66.9 Ų | 66.9 | 14% | 0.136 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 149.8 | 174.1 | -63.6 | 179.3 | 0 | 0 | 0 | 111.1 | L19 A49 L52 I65 | L19-L54 HydrophobicContact CD2-CD1 4.17Å; A49-L54 HydrophobicContact CB-CD2 3.61Å; L52-L54 HydrophobicContact CD2-CD1 4.46Å; L52-L54 HydrophobicContact CD2-CD2 3.84Å; L52-L54 HydrophobicContact CD2-CG 3.67Å; L54-I65 HydrophobicContact CD1-CD1 4.29Å |
| 55 | P | 89.5 | Confident | 91 | Very high | 82 Ų | 82 | 66.3 Ų | 66.3 | 53% | 0.532 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 142.7 | 177.4 | -20 | 30.3 | 0 | 0 | 0 | 112.7 | E57 R62 | P55-E57 WeakPolarHBondContact CB-OE2 3.16Å; P55-R62 PolarHBondContact O-NH2 3.19Å |
| 56 | M | 84.9 | Confident | 91.1 | Very high | 118 Ų | 118 | 63.4 Ų | 63.4 | 58% | 0.581 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -78.8 | -21 | -173.7 | -64.7 | -168.4 | -56.9 | 0 | 0 | 113 | N58 E59 | M56-N58 PolarHBondContact O-N 3.46Å; M56-N58 VanDerWaalsContact O-N 3.1Å; M56-E59 VanDerWaalsContact O-CB 3.27Å; M56-E59 WeakPolarHBondContact O-CB 3.27Å; M56-E59 PolarHBondContact O-N 3.37Å |
| 57 | E | 83.8 | Confident | 91.1 | Very high | 157 Ų | 157 | 61.8 Ų | 61.8 | 73% | 0.734 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -57.7 | -30.9 | -176.8 | -61 | 77.7 | -171.7 | 0 | 0 | 112.1 | P55 | P55-E57 WeakPolarHBondContact CB-OE2 3.16Š|
| 58 | N | 82 | Confident | 91.3 | Very high | 82 Ų | 82 | 57.8 Ų | 57.8 | 44% | 0.439 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -104.2 | 16 | -178.9 | -66.1 | -40.1 | 0 | 0 | 0 | 112.9 | M56 S61 R62 | M56-N58 PolarHBondContact O-N 3.46Å; M56-N58 VanDerWaalsContact O-N 3.1Å; N58-S61 PolarHBondContact O-OG 2.81Å; N58-R62 VanDerWaalsContact O-CB 3.29Å; N58-R62 WeakPolarHBondContact O-CB 3.46Å; N58-R62 PolarHBondContact O-N 2.71Å |
| 59 | E | 83.5 | Confident | 91.4 | Very high | 75 Ų | 75 | 54.9 Ų | 54.9 | 35% | 0.35 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -45.3 | -174.8 | -172.6 | 163.2 | 164.7 | 0 | 0 | 112 | S2 K9 M56 R62 | S2-E59 WeakPolarHBondContact CB-OE2 3.45Å; S2-E59 PolarHBondContact OG-OE2 3.23Å; K9-E59 PolarHBondContact NZ-O 3.21Å; M56-E59 VanDerWaalsContact O-CB 3.27Å; M56-E59 WeakPolarHBondContact O-CB 3.27Å; M56-E59 PolarHBondContact O-N 3.37Å; E59-R62 WeakPolarHBondContact O-CB 3.49Å; E59-R62 PolarHBondContact O-N 2.87Å |
| 60 | E | 83.2 | Confident | 91.5 | Very high | 171 Ų | 171 | 54.5 Ų | 54.5 | 80% | 0.799 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -43.8 | 179.1 | -65.1 | -54.6 | 130.1 | 0 | 0 | 112.3 | K9 R62 | K9-E60 PolarHBondContact NZ-O 3.36Å; E60-R62 VanDerWaalsContact C-N 3.34Å; E60-R62 PolarHBondContact O-N 2.94Å |
| 61 | S | 86 | Confident | 91.6 | Very high | 85 Ų | 85 | 47.7 Ų | 47.7 | 59% | 0.594 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -10.9 | -179 | 64.3 | 0 | 0 | 0 | 0 | 114.2 | N58 | N58-S61 PolarHBondContact O-OG 2.81Š|
| 62 | R | 89.1 | Confident | 91.7 | Very high | 22 Ų | 22 | 45.1 Ų | 45.1 | 8% | 0.083 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -63.2 | 126 | 179.3 | -165.7 | 179.3 | -61.5 | 166 | 3.9 | 110.2 | K9 P55 N58 E59 E60 I65 | K9-R62 WeakPolarHBondContact CD-O 3.44Å; K9-R62 WeakPolarHBondContact CE-O 3.35Å; K9-R62 PolarHBondContact NZ-O 2.73Å; P55-R62 PolarHBondContact O-NH2 3.19Å; N58-R62 VanDerWaalsContact O-CB 3.29Å; N58-R62 WeakPolarHBondContact O-CB 3.46Å; N58-R62 PolarHBondContact O-N 2.71Å; E59-R62 WeakPolarHBondContact O-CB 3.49Å; E59-R62 PolarHBondContact O-N 2.87Å; E60-R62 VanDerWaalsContact C-N 3.34Å; E60-R62 PolarHBondContact O-N 2.94Å; R62-I65 HydrophobicContact CG-CD1 4.41Å |
| 63 | P | 90.9 | Very high | 91.7 | Very high | 42 Ų | 42 | 45 Ų | 45 | 27% | 0.273 | 24% | 0.236 | S | C | . | . | P | Polyproline II helix | trans | -66.8 | 164.4 | 171.6 | 30.8 | -33.9 | 0 | 0 | 0 | 110 | I65 | P63-I65 PolarHBondContact O-N 2.92Š|
| 64 | R | 93.6 | Very high | 91.7 | Very high | 37 Ų | 37 | 43.5 Ų | 43.5 | 14% | 0.14 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -53.9 | 133.9 | 163.9 | -177.6 | -171.2 | -179.1 | -144.2 | 16.1 | 108.6 | P6 K9 N17 D66 | P6-R64 PolarHBondContact O-NE 3.49Å; K9-R64 HydrophobicContact CB-CB 4Å; K9-R64 WeakPolarHBondContact O-CD 3.31Å; N17-R64 WeakPolarHBondContact CB-O 3.48Å; N17-R64 VanDerWaalsContact CG-O 3.25Å; N17-R64 PolarHBondContact ND2-O 3.25Å; N17-R64 VanDerWaalsContact ND2-O 3.08Å; R64-D66 IonicContact CZ-OD1 3.76Å; R64-D66 VanDerWaalsContact CZ-OD1 3.31Å; R64-D66 IonicContact NE-OD1 3.77Å; R64-D66 IonicContact NH1-OD1 2.8Å; R64-D66 PolarHBondContact NH1-OD1 3.33Å |
| 65 | I | 95.8 | Very high | 91.7 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -100.8 | 116.3 | 176.1 | -63.4 | 175.4 | 0 | 0 | 0 | 107.9 | L4 L19 L54 R62 P63 V68 Y94 | L4-I65 HydrophobicContact CD1-CD1 3.97Å; L4-I65 HydrophobicContact CD2-CD1 3.96Å; L19-I65 HydrophobicContact CB-CD1 4.21Å; L19-I65 HydrophobicContact CB-CG2 3.74Å; L19-I65 HydrophobicContact CD2-CD1 4.11Å; L54-I65 HydrophobicContact CD1-CD1 4.29Å; R62-I65 HydrophobicContact CG-CD1 4.41Å; P63-I65 PolarHBondContact O-N 2.92Å; I65-V68 HydrophobicContact CG2-CG2 3.87Å; I65-Y94 HydrophobicContact CG2-CE1 4.45Å; I65-Y94 PolarHBondContact O-OH 3.07Å |
| 66 | D | 96.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.011 | 22% | 0.222 | C | C | . | . | trans | -85.2 | -33 | -172.3 | -61.4 | -63.3 | 0 | 0 | 0 | 112.5 | N17 R64 K98 L152 A155 A156 | N17-D66 PolarHBondContact N-OD2 3.45Å; N17-D66 PolarHBondContact ND2-OD2 2.79Å; N17-D66 WeakPolarHBondContact O-CB 3.46Å; N17-D66 PolarHBondContact O-N 3.37Å; R64-D66 IonicContact CZ-OD1 3.76Å; R64-D66 VanDerWaalsContact CZ-OD1 3.31Å; R64-D66 IonicContact NE-OD1 3.77Å; R64-D66 IonicContact NH1-OD1 2.8Å; R64-D66 PolarHBondContact NH1-OD1 3.33Å; D66-K98 WeakPolarHBondContact O-CB 3.27Å; D66-K98 WeakPolarHBondContact O-CG 3.36Å; D66-K98 PolarHBondContact O-NZ 2.83Å; D66-L152 HydrophobicContact CB-CD1 4.16Å; D66-A155 WeakPolarHBondContact O-CB 3.16Å; D66-A156 HydrophobicContact CB-CB 3.95Å | ||
| 67 | L | 97.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 134.4 | 177.6 | -178.7 | 65 | 0 | 0 | 0 | 110.5 | N17 I18 L19 V69 K98 C100 I151 L152 A155 | N17-L67 PolarHBondContact O-N 2.83Å; I18-L67 WeakPolarHBondContact CA-O 3.32Å; I18-L67 HydrophobicContact CD1-CD2 4.02Å; I18-L67 HydrophobicContact CG1-CB 4.37Å; I18-L67 HydrophobicContact CG1-CD2 4.36Å; I18-L67 HydrophobicContact CG1-CG 4.48Å; L19-L67 PolarHBondContact N-O 3.23Å; L67-V69 HydrophobicContact CD2-CG2 3.9Å; L67-V69 HydrophobicContact CG-CG2 3.93Å; L67-K98 CarbonylContact C-O 3.56Å; L67-K98 WeakPolarHBondContact CA-O 3.47Å; L67-C100 HydrophobicContact CD1-CB 4.26Å; L67-I151 HydrophobicContact CD1-CG2 3.92Å; L67-I151 HydrophobicContact CD2-CB 4.28Å; L67-I151 HydrophobicContact CD2-CG2 3.89Å; L67-L152 HydrophobicContact CB-CD1 3.76Å; L67-L152 HydrophobicContact CD2-CB 3.99Å; L67-L152 HydrophobicContact CD2-CD1 4.49Å; L67-A155 HydrophobicContact CB-CB 4.36Å |
| 68 | V | 98 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 128.8 | 168.9 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | L4 L19 V21 I65 F70 L90 Y94 K98 V99 C100 | L4-V68 HydrophobicContact CD2-CG2 4.09Å; L19-V68 HydrophobicContact CB-CG2 4.41Å; L19-V68 HydrophobicContact CD2-CG1 4.3Å; L19-V68 HydrophobicContact CD2-CG2 4.37Å; L19-V68 CarbonylContact O-C 3.2Å; L19-V68 WeakPolarHBondContact O-CA 3.42Å; V21-V68 HydrophobicContact CG2-CG1 4.02Å; I65-V68 HydrophobicContact CG2-CG2 3.87Å; V68-F70 HydrophobicContact CG1-CD2 4.34Å; V68-F70 HydrophobicContact CG1-CE2 3.83Å; V68-F70 HydrophobicContact CG1-CZ 4.03Å; V68-L90 HydrophobicContact CG1-CD1 4.41Å; V68-L90 HydrophobicContact CG2-CD2 4.34Å; V68-Y94 HydrophobicContact CG2-CD1 3.86Å; V68-Y94 HydrophobicContact CG2-CE1 3.62Å; V68-K98 PolarHBondContact N-O 3.33Å; V68-V99 CarbonylContact O-C 3.57Å; V68-V99 VanDerWaalsContact O-CA 3.31Å; V68-V99 WeakPolarHBondContact O-CA 3.36Å; V68-C100 PolarHBondContact O-N 3.49Å |
| 69 | V | 98.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 117.5 | 178.7 | -174.4 | 0 | 0 | 0 | 0 | 109.4 | I18 L19 L20 V21 L67 I71 C100 L102 L148 | I18-V69 HydrophobicContact CD1-CG2 3.79Å; I18-V69 HydrophobicContact CG1-CG2 4.03Å; L19-V69 PolarHBondContact O-N 3.44Å; L20-V69 HydrophobicContact CD2-CB 3.81Å; L20-V69 HydrophobicContact CD2-CG1 4.4Å; L20-V69 HydrophobicContact CD2-CG2 4.06Å; V21-V69 PolarHBondContact N-O 3.1Å; L67-V69 HydrophobicContact CD2-CG2 3.9Å; L67-V69 HydrophobicContact CG-CG2 3.93Å; V69-I71 HydrophobicContact CG1-CG1 4.32Å; V69-C100 VanDerWaalsContact CA-O 3.27Å; V69-C100 WeakPolarHBondContact CA-O 3.34Å; V69-C100 HydrophobicContact CG2-CB 4.38Å; V69-L102 HydrophobicContact CG1-CB 3.9Å; V69-L148 HydrophobicContact CG1-CD1 4.41Å; V69-L148 HydrophobicContact CG1-CD2 4.07Å; V69-L148 HydrophobicContact CG2-CD2 3.91Å |
| 70 | F | 98.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 34 Ų | 34 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 114.5 | 171.5 | -69.6 | -79.9 | 0 | 0 | 0 | 109.3 | V21 L52 V68 A83 L87 L90 V99 C100 F101 L102 | V21-F70 HydrophobicContact CB-CD1 3.82Å; V21-F70 HydrophobicContact CB-CE1 4.01Å; V21-F70 HydrophobicContact CG1-CD1 3.94Å; V21-F70 HydrophobicContact CG1-CE1 3.91Å; V21-F70 HydrophobicContact CG2-CD1 4.42Å; V21-F70 HydrophobicContact CG2-CE1 4.2Å; L52-F70 HydrophobicContact CD1-CE1 4.34Å; L52-F70 HydrophobicContact CD1-CZ 4.02Å; V68-F70 HydrophobicContact CG1-CD2 4.34Å; V68-F70 HydrophobicContact CG1-CE2 3.83Å; V68-F70 HydrophobicContact CG1-CZ 4.03Å; F70-A83 HydrophobicContact CB-CB 4.37Å; F70-A83 HydrophobicContact CD1-CB 4.06Å; F70-A83 HydrophobicContact CG-CB 4.47Å; F70-L87 HydrophobicContact CD2-CD2 4.04Å; F70-L87 HydrophobicContact CE2-CD2 3.44Å; F70-L87 VanDerWaalsContact CE2-CD2 3.44Å; F70-L87 HydrophobicContact CE2-CG 4.34Å; F70-L87 HydrophobicContact CZ-CD2 3.82Å; F70-L87 HydrophobicContact CZ-CG 4.32Å; F70-L90 HydrophobicContact CE2-CD1 3.63Å; F70-L90 HydrophobicContact CZ-CD1 3.76Å; F70-L90 HydrophobicContact CZ-CG 4.46Å; F70-V99 HydrophobicContact CD2-CG1 4.06Å; F70-V99 HydrophobicContact CE2-CG1 4.14Å; F70-C100 PolarHBondContact N-O 2.81Å; F70-F101 HydrophobicContact CB-CD1 3.72Å; F70-F101 HydrophobicContact CB-CE1 3.91Å; F70-F101 HydrophobicContact CD2-CD1 4.44Å; F70-F101 AromaticContact CD2-CE1 3.98Å; F70-F101 HydrophobicContact CD2-CE1 3.98Å; F70-F101 HydrophobicContact CD2-CZ 4.46Å; F70-F101 HydrophobicContact CG-CD1 4.43Å; F70-F101 HydrophobicContact CG-CE1 4.15Å; F70-L102 PolarHBondContact O-N 3.18Å |
| 71 | I | 97.6 | Very high | 94.5 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 117.4 | 176.4 | -56.3 | 176 | 0 | 0 | 0 | 107.7 | L20 V21 E22 F27 Q28 L31 V69 L102 | L20-I71 HydrophobicContact CB-CD1 4.22Å; V21-I71 PolarHBondContact O-N 2.64Å; E22-I71 HydrophobicContact CB-CB 3.98Å; E22-I71 HydrophobicContact CB-CD1 4.35Å; E22-I71 HydrophobicContact CB-CG2 4.46Å; E22-I71 HydrophobicContact CG-CB 4.07Å; E22-I71 HydrophobicContact CG-CG2 4.03Å; F27-I71 HydrophobicContact CD1-CD1 4.3Å; F27-I71 HydrophobicContact CD1-CG2 3.83Å; Q28-I71 HydrophobicContact CB-CD1 3.97Å; L31-I71 HydrophobicContact CD2-CD1 3.91Å; V69-I71 HydrophobicContact CG1-CG1 4.32Å; I71-L102 CarbonylContact C-O 3.6Å; I71-L102 WeakPolarHBondContact CA-O 3.47Å; I71-L102 HydrophobicContact CG1-CB 4.43Å; I71-L102 HydrophobicContact CG1-CD2 4.19Å |
| 72 | I | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 113.9 | -176.5 | -60.1 | 166 | 0 | 0 | 0 | 109.2 | L74 S79 F80 A83 F101 L102 V103 T104 V119 | I72-L74 PolarHBondContact O-N 3.39Å; I72-S79 WeakPolarHBondContact CA-OG 3.1Å; I72-F80 HydrophobicContact CD1-CD2 4.24Å; I72-F80 HydrophobicContact CG2-CB 4.14Å; I72-F80 HydrophobicContact CG2-CD2 4.26Å; I72-A83 HydrophobicContact CD1-CB 3.96Å; I72-A83 HydrophobicContact CG1-CB 3.87Å; I72-F101 HydrophobicContact CD1-CD1 3.78Å; I72-F101 HydrophobicContact CD1-CE1 4.32Å; I72-L102 PolarHBondContact N-O 3.02Å; I72-V103 HydrophobicContact CB-CG1 4.21Å; I72-V103 WeakPolarHBondContact O-CA 3.4Å; I72-T104 PolarHBondContact O-N 3.44Å; I72-T104 VanDerWaalsContact O-N 3.15Å; I72-T104 PolarHBondContact O-OG1 3.24Å; I72-V119 HydrophobicContact CD1-CG1 3.76Å; I72-V119 HydrophobicContact CD1-CG2 4.41Å; I72-V119 HydrophobicContact CG2-CG2 4.15Å |
| 73 | H | 94.6 | Very high | 95.3 | Very high | 5 Ų | 5 | 26 Ų | 26 | 2% | 0.023 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 113.5 | 169.9 | -74.4 | -72.9 | 0 | 0 | 0 | 109.7 | E22 E24 T75 S76 S79 T104 | E22-H73 IonicContact OE1-CD2 3.75Å; E22-H73 PolarHBondContact OE1-CD2 2.9Å; E22-H73 IonicContact OE1-CE1 3.15Å; E22-H73 IonicContact OE1-NE2 2.64Å; E22-H73 PolarHBondContact OE1-NE2 2.98Å; E24-H73 WeakPolarHBondContact OE2-CB 3.12Å; E24-H73 IonicContact OE2-CD2 3.39Å; E24-H73 PolarHBondContact OE2-CD2 2.81Å; E24-H73 IonicContact OE2-CG 2.64Å; H73-T75 PolarHBondContact O-N 2.94Å; H73-S76 PolarHBondContact O-N 2.58Å; H73-S76 VanDerWaalsContact O-O 3.11Å; H73-S79 PolarHBondContact N-OG 2.95Å; H73-T104 WeakPolarHBondContact CA-OG1 3.29Å; H73-T104 PolarHBondContact CE1-OG1 3.46Å; H73-T104 VanDerWaalsContact CE1-OG1 3.29Å; H73-T104 PolarHBondContact ND1-OG1 3.22Å |
| 74 | L | 93.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -23.9 | -175.1 | -65.4 | 170.8 | 0 | 0 | 0 | 113.2 | I72 S76 V103 T104 A106 V111 R115 L116 V119 | I72-L74 PolarHBondContact O-N 3.39Å; L74-S76 PolarHBondContact O-N 2.91Å; L74-V103 HydrophobicContact CD1-CB 4.11Å; L74-V103 HydrophobicContact CD1-CG2 4.48Å; L74-V103 HydrophobicContact CD2-CB 4.39Å; L74-V103 HydrophobicContact CD2-CG1 4.08Å; L74-V103 HydrophobicContact CG-CB 4.16Å; L74-V103 HydrophobicContact CG-CG1 4.38Å; L74-T104 WeakPolarHBondContact CD1-O 3.4Å; L74-T104 WeakPolarHBondContact CG-O 3.36Å; L74-T104 PolarHBondContact N-O 3.18Å; L74-A106 HydrophobicContact CD1-CB 3.68Å; L74-V111 HydrophobicContact CB-CG1 3.61Å; L74-V111 HydrophobicContact CB-CG2 4.26Å; L74-R115 HydrophobicContact CD2-CB 4.42Å; L74-R115 PolarHBondContact O-NH2 3.1Å; L74-R115 VanDerWaalsContact O-NH2 3.08Å; L74-L116 HydrophobicContact CD1-CB 4.32Å; L74-L116 HydrophobicContact CD1-CD1 4.06Å; L74-V119 HydrophobicContact CD2-CG2 3.71Å |
| 75 | T | 92.3 | Very high | 95.7 | Very high | 77 Ų | 77 | 29.4 Ų | 29.4 | 47% | 0.472 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -20.6 | 172.8 | 50.8 | 0 | 0 | 0 | 0 | 113.2 | H73 V111 | H73-T75 PolarHBondContact O-N 2.94Å; T75-V111 HydrophobicContact CG2-CG2 3.55Å |
| 76 | S | 92.2 | Very high | 95.8 | Very high | 16 Ų | 16 | 29.3 Ų | 29.3 | 11% | 0.112 | 16% | 0.155 | C | C | . | . | trans | -118.3 | 117.2 | -172.7 | 177.6 | 0 | 0 | 0 | 0 | 112.5 | E24 H73 L74 L78 S79 R115 | E24-S76 WeakPolarHBondContact OE1-CB 3.25Å; E24-S76 PolarHBondContact OE1-OG 3.14Å; H73-S76 PolarHBondContact O-N 2.58Å; H73-S76 VanDerWaalsContact O-O 3.11Å; L74-S76 PolarHBondContact O-N 2.91Å; S76-L78 VanDerWaalsContact C-N 3.29Å; S76-L78 PolarHBondContact O-N 3.35Å; S76-S79 WeakPolarHBondContact O-CB 3.36Å; S76-S79 PolarHBondContact O-N 3.49Å; S76-S79 PolarHBondContact OG-N 2.71Å; S76-R115 PolarHBondContact O-NH2 2.98Å | ||
| 77 | E | 92.3 | Very high | 95.8 | Very high | 121 Ų | 121 | 30 Ų | 30 | 57% | 0.565 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -65 | -36.7 | 176.9 | -168.7 | 173 | 173.9 | 0 | 0 | 112.4 | S79 F80 Q81 R115 | E77-S79 VanDerWaalsContact C-N 3.27Å; E77-S79 PolarHBondContact O-N 2.91Å; E77-F80 PolarHBondContact O-N 3.49Å; E77-F80 VanDerWaalsContact O-N 3.15Å; E77-Q81 HydrophobicContact CG-CG 4.31Å; E77-Q81 WeakPolarHBondContact O-CG 3.42Å; E77-Q81 PolarHBondContact O-N 3.42Å; E77-Q81 PolarHBondContact OE1-NE2 3.38Å; E77-Q81 VanDerWaalsContact OE1-NE2 3.1Å; E77-R115 VanDerWaalsContact N-NH2 3.15Å |
| 78 | L | 94 | Very high | 95.7 | Very high | 108 Ų | 108 | 37.6 Ų | 37.6 | 57% | 0.565 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -61.6 | -35.9 | 177.3 | -61 | 177.3 | 0 | 0 | 0 | 111.9 | S76 F80 Q81 S82 | S76-L78 VanDerWaalsContact C-N 3.29Å; S76-L78 PolarHBondContact O-N 3.35Å; L78-F80 VanDerWaalsContact C-N 3.35Å; L78-F80 PolarHBondContact O-N 3.2Å; L78-Q81 PolarHBondContact O-N 3.36Å; L78-S82 WeakPolarHBondContact O-CB 3.38Å; L78-S82 PolarHBondContact O-N 2.88Å |
| 79 | S | 94.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.014 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60 | -45.1 | 175.7 | -173.1 | 0 | 0 | 0 | 0 | 111.6 | I72 H73 S76 E77 A83 | I72-S79 WeakPolarHBondContact CA-OG 3.1Å; H73-S79 PolarHBondContact N-OG 2.95Å; S76-S79 WeakPolarHBondContact O-CB 3.36Å; S76-S79 PolarHBondContact O-N 3.49Å; S76-S79 PolarHBondContact OG-N 2.71Å; E77-S79 VanDerWaalsContact C-N 3.27Å; E77-S79 PolarHBondContact O-N 2.91Å; S79-A83 PolarHBondContact O-N 2.87Å; S79-A83 VanDerWaalsContact O-N 3.17Å |
| 80 | F | 95.9 | Very high | 95.4 | Very high | 18 Ų | 18 | 40.8 Ų | 40.8 | 8% | 0.079 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.9 | -49.1 | 177.2 | -178 | -111.7 | 0 | 0 | 0 | 112.3 | I72 E77 L78 S82 A83 E84 V119 L122 | I72-F80 HydrophobicContact CD1-CD2 4.24Å; I72-F80 HydrophobicContact CG2-CB 4.14Å; I72-F80 HydrophobicContact CG2-CD2 4.26Å; E77-F80 PolarHBondContact O-N 3.49Å; E77-F80 VanDerWaalsContact O-N 3.15Å; L78-F80 VanDerWaalsContact C-N 3.35Å; L78-F80 PolarHBondContact O-N 3.2Å; F80-S82 VanDerWaalsContact C-N 3.3Å; F80-S82 PolarHBondContact O-N 3.23Å; F80-A83 WeakPolarHBondContact O-CB 3.34Å; F80-A83 PolarHBondContact O-N 3.45Å; F80-E84 HydrophobicContact CD1-CG 4.49Å; F80-E84 HydrophobicContact CE1-CG 4.05Å; F80-E84 WeakPolarHBondContact CE1-OE2 3.45Å; F80-E84 HydrophobicContact CE2-CG 4.24Å; F80-E84 HydrophobicContact CZ-CG 3.92Å; F80-E84 PolarHBondContact O-N 2.9Å; F80-V119 HydrophobicContact CD2-CG2 3.69Å; F80-V119 HydrophobicContact CE2-CB 4.31Å; F80-V119 HydrophobicContact CE2-CG2 3.78Å; F80-L122 HydrophobicContact CE2-CB 4.44Å; F80-L122 HydrophobicContact CE2-CD2 3.73Å; F80-L122 HydrophobicContact CZ-CD2 4.16Å |
| 81 | Q | 96.1 | Very high | 95.3 | Very high | 84 Ų | 84 | 42.9 Ų | 42.9 | 39% | 0.393 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.4 | -36.7 | -180 | -68.7 | 178.3 | -1.7 | 0 | 0 | 112.5 | E77 L78 E84 T85 | E77-Q81 HydrophobicContact CG-CG 4.31Å; E77-Q81 WeakPolarHBondContact O-CG 3.42Å; E77-Q81 PolarHBondContact O-N 3.42Å; E77-Q81 PolarHBondContact OE1-NE2 3.38Å; E77-Q81 VanDerWaalsContact OE1-NE2 3.1Å; L78-Q81 PolarHBondContact O-N 3.36Å; Q81-E84 PolarHBondContact O-N 3.18Å; Q81-T85 WeakPolarHBondContact O-CB 3.48Å; Q81-T85 PolarHBondContact O-N 3.23Å; Q81-T85 PolarHBondContact O-OG1 2.85Å |
| 82 | S | 96.6 | Very high | 95.1 | Very high | 21 Ų | 21 | 47.1 Ų | 47.1 | 15% | 0.147 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.9 | -43.2 | 175.6 | -177 | 0 | 0 | 0 | 0 | 111.4 | L78 F80 T85 S86 | L78-S82 WeakPolarHBondContact O-CB 3.38Å; L78-S82 PolarHBondContact O-N 2.88Å; F80-S82 VanDerWaalsContact C-N 3.3Å; F80-S82 PolarHBondContact O-N 3.23Å; S82-T85 PolarHBondContact O-N 2.85Å; S82-S86 VanDerWaalsContact O-CB 3.23Å; S82-S86 WeakPolarHBondContact O-CB 3.41Å; S82-S86 PolarHBondContact O-N 2.92Å; S82-S86 PolarHBondContact O-OG 3.4Å |
| 83 | A | 96.6 | Very high | 95 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 4% | 0.041 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.3 | -49 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F70 I72 S79 F80 T85 S86 L87 | F70-A83 HydrophobicContact CB-CB 4.37Å; F70-A83 HydrophobicContact CD1-CB 4.06Å; F70-A83 HydrophobicContact CG-CB 4.47Å; I72-A83 HydrophobicContact CD1-CB 3.96Å; I72-A83 HydrophobicContact CG1-CB 3.87Å; S79-A83 PolarHBondContact O-N 2.87Å; S79-A83 VanDerWaalsContact O-N 3.17Å; F80-A83 WeakPolarHBondContact O-CB 3.34Å; F80-A83 PolarHBondContact O-N 3.45Å; A83-T85 VanDerWaalsContact C-N 3.32Å; A83-T85 PolarHBondContact O-N 2.89Å; A83-S86 WeakPolarHBondContact O-CB 3.42Å; A83-S86 PolarHBondContact O-N 2.94Å; A83-S86 VanDerWaalsContact O-N 3.14Å; A83-L87 WeakPolarHBondContact O-CG 3.48Å; A83-L87 PolarHBondContact O-N 2.84Å; A83-L87 VanDerWaalsContact O-N 3.11Å |
| 84 | E | 96.4 | Very high | 95 | Very high | 79 Ų | 79 | 47.4 Ų | 47.4 | 37% | 0.369 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.2 | -43.4 | 177.3 | -76.1 | -170.2 | 117.5 | 0 | 0 | 113 | F80 Q81 S86 L122 | F80-E84 HydrophobicContact CD1-CG 4.49Å; F80-E84 HydrophobicContact CE1-CG 4.05Å; F80-E84 WeakPolarHBondContact CE1-OE2 3.45Å; F80-E84 HydrophobicContact CE2-CG 4.24Å; F80-E84 HydrophobicContact CZ-CG 3.92Å; F80-E84 PolarHBondContact O-N 2.9Å; Q81-E84 PolarHBondContact O-N 3.18Å; E84-S86 VanDerWaalsContact C-N 3.35Å; E84-L122 HydrophobicContact CG-CD1 4.45Å; E84-L122 HydrophobicContact CG-CD2 3.76Å |
| 85 | T | 96.6 | Very high | 95.1 | Very high | 70 Ų | 70 | 49.3 Ų | 49.3 | 43% | 0.429 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68.3 | -38.1 | 178.8 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | Q81 S82 A83 L87 K88 | Q81-T85 WeakPolarHBondContact O-CB 3.48Å; Q81-T85 PolarHBondContact O-N 3.23Å; Q81-T85 PolarHBondContact O-OG1 2.85Å; S82-T85 PolarHBondContact O-N 2.85Å; A83-T85 VanDerWaalsContact C-N 3.32Å; A83-T85 PolarHBondContact O-N 2.89Å; T85-L87 VanDerWaalsContact C-N 3.32Å; T85-L87 PolarHBondContact O-N 3.36Å; T85-K88 PolarHBondContact O-N 3.41Å |
| 86 | S | 96.9 | Very high | 95 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.014 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.5 | -31.2 | -179.5 | -66 | 0 | 0 | 0 | 0 | 112.9 | L52 S82 A83 E84 K88 Y89 | L52-S86 PolarHBondContact N-OG 3.38Å; S82-S86 VanDerWaalsContact O-CB 3.23Å; S82-S86 WeakPolarHBondContact O-CB 3.41Å; S82-S86 PolarHBondContact O-N 2.92Å; S82-S86 PolarHBondContact O-OG 3.4Å; A83-S86 WeakPolarHBondContact O-CB 3.42Å; A83-S86 PolarHBondContact O-N 2.94Å; A83-S86 VanDerWaalsContact O-N 3.14Å; E84-S86 VanDerWaalsContact C-N 3.35Å; S86-K88 PolarHBondContact O-N 2.93Å; S86-Y89 PolarHBondContact O-N 2.85Å; S86-Y89 VanDerWaalsContact O-N 3.1Å |
| 87 | L | 96.3 | Very high | 95.1 | Very high | 18 Ų | 18 | 50.5 Ų | 50.5 | 9% | 0.094 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.8 | -29.7 | 179.8 | -71.8 | 168.1 | 0 | 0 | 0 | 113.5 | F70 A83 T85 Y89 L90 F95 F101 L122 L126 | F70-L87 HydrophobicContact CD2-CD2 4.04Å; F70-L87 HydrophobicContact CE2-CD2 3.44Å; F70-L87 VanDerWaalsContact CE2-CD2 3.44Å; F70-L87 HydrophobicContact CE2-CG 4.34Å; F70-L87 HydrophobicContact CZ-CD2 3.82Å; F70-L87 HydrophobicContact CZ-CG 4.32Å; A83-L87 WeakPolarHBondContact O-CG 3.48Å; A83-L87 PolarHBondContact O-N 2.84Å; A83-L87 VanDerWaalsContact O-N 3.11Å; T85-L87 VanDerWaalsContact C-N 3.32Å; T85-L87 PolarHBondContact O-N 3.36Å; L87-Y89 PolarHBondContact O-N 3.08Å; L87-Y89 VanDerWaalsContact O-N 3.11Å; L87-L90 HydrophobicContact CD2-CD1 4.3Å; L87-L90 PolarHBondContact O-N 3.3Å; L87-L90 VanDerWaalsContact O-N 3.1Å; L87-F95 HydrophobicContact CD2-CE1 3.85Å; L87-F95 HydrophobicContact CD2-CZ 4.12Å; L87-F101 HydrophobicContact CD1-CE1 4.46Å; L87-F101 HydrophobicContact CD1-CZ 4.12Å; L87-F101 HydrophobicContact CD2-CE1 4.47Å; L87-F101 HydrophobicContact CD2-CZ 4.02Å; L87-L122 HydrophobicContact CD1-CD1 3.96Å; L87-L122 HydrophobicContact CD1-CD2 4.03Å; L87-L122 HydrophobicContact CD1-CG 4.28Å; L87-L126 HydrophobicContact CD1-CD1 3.64Å; L87-L126 HydrophobicContact CD2-CD1 4.13Å; L87-L126 HydrophobicContact CG-CD1 4.5Å |
| 88 | K | 95.1 | Very high | 95.3 | Very high | 158 Ų | 158 | 45.3 Ų | 45.3 | 69% | 0.687 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -17.2 | 179.1 | -60.2 | 175.9 | -175.3 | 173.5 | 0 | 113.1 | T85 S86 | T85-K88 PolarHBondContact O-N 3.41Å; S86-K88 PolarHBondContact O-N 2.93Å |
| 89 | Y | 95.8 | Very high | 95.4 | Very high | 60 Ų | 60 | 40.2 Ų | 40.2 | 24% | 0.235 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 8.3 | -179.6 | -55.6 | -75.3 | 0 | 0 | 0 | 113.2 | M1 L3 L4 L52 P53 S86 L87 | M1-Y89 HydrophobicContact CB-CE1 4.23Å; M1-Y89 HydrophobicContact CE-CE1 3.92Å; M1-Y89 WeakPolarHBondContact CE-OH 3.38Å; L3-Y89 VanDerWaalsContact CD1-C 3.48Å; L4-Y89 PolarHBondContact N-O 3.4Å; L52-Y89 HydrophobicContact CB-CD2 4.06Å; L52-Y89 HydrophobicContact CB-CG 4.38Å; L52-Y89 VanDerWaalsContact O-CD2 3.31Å; L52-Y89 WeakPolarHBondContact O-CD2 3.3Å; L52-Y89 WeakPolarHBondContact O-CE2 3.42Å; P53-Y89 HydrophobicContact CB-CD1 3.87Å; P53-Y89 HydrophobicContact CB-CD2 4.5Å; P53-Y89 HydrophobicContact CB-CE1 4.38Å; P53-Y89 HydrophobicContact CB-CG 3.93Å; P53-Y89 HydrophobicContact CG-CD1 3.97Å; P53-Y89 HydrophobicContact CG-CE1 3.96Å; P53-Y89 HydrophobicContact CG-CG 4.25Å; S86-Y89 PolarHBondContact O-N 2.85Å; S86-Y89 VanDerWaalsContact O-N 3.1Å; L87-Y89 PolarHBondContact O-N 3.08Å; L87-Y89 VanDerWaalsContact O-N 3.11Å |
| 90 | L | 96 | Very high | 95.5 | Very high | 8 Ų | 8 | 40.1 Ų | 40.1 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -98.9 | 133.5 | 171.6 | -64.9 | -174.5 | 0 | 0 | 0 | 111.1 | L4 L52 V68 F70 L87 Y94 F95 V99 | L4-L90 HydrophobicContact CB-CD2 3.95Å; L4-L90 HydrophobicContact CD2-CD2 3.78Å; L4-L90 HydrophobicContact CG-CD2 4.44Å; L52-L90 HydrophobicContact CD1-CD2 3.54Å; L52-L90 HydrophobicContact CD1-CG 3.88Å; V68-L90 HydrophobicContact CG1-CD1 4.41Å; V68-L90 HydrophobicContact CG2-CD2 4.34Å; F70-L90 HydrophobicContact CE2-CD1 3.63Å; F70-L90 HydrophobicContact CZ-CD1 3.76Å; F70-L90 HydrophobicContact CZ-CG 4.46Å; L87-L90 HydrophobicContact CD2-CD1 4.3Å; L87-L90 PolarHBondContact O-N 3.3Å; L87-L90 VanDerWaalsContact O-N 3.1Å; L90-Y94 HydrophobicContact CB-CD2 4.4Å; L90-Y94 HydrophobicContact CD2-CD2 4.16Å; L90-Y94 HydrophobicContact CD2-CE2 4.45Å; L90-Y94 HydrophobicContact CD2-CG 4.47Å; L90-F95 HydrophobicContact CB-CZ 4.25Å; L90-F95 HydrophobicContact CD1-CZ 4.45Å; L90-V99 HydrophobicContact CD1-CG2 3.89Å |
| 91 | D | 95.4 | Very high | 95.6 | Very high | 44 Ų | 44 | 39.3 Ų | 39.3 | 24% | 0.235 | 20% | 0.201 | C | C | . | . | trans | -62.5 | 139.8 | 168.4 | -178.4 | -88.6 | 0 | 0 | 0 | 110.8 | L3 L4 K5 G93 Y94 | L3-D91 HydrophobicContact CD2-CB 3.76Å; L3-D91 HydrophobicContact CG-CB 4.12Å; L4-D91 WeakPolarHBondContact O-CB 3.49Å; L4-D91 PolarHBondContact O-N 3.43Å; K5-D91 HydrophobicContact CG-CB 4.2Å; D91-G93 PolarHBondContact O-N 2.94Å; D91-G93 PolarHBondContact OD1-N 2.9Å; D91-Y94 HydrophobicContact CB-CD2 4.47Å; D91-Y94 WeakPolarHBondContact O-CB 3.48Å; D91-Y94 PolarHBondContact O-N 2.94Å | ||
| 92 | P | 93.8 | Very high | 95.6 | Very high | 92 Ų | 92 | 35.3 Ų | 35.3 | 60% | 0.597 | 18% | 0.182 | S | C | * | . | G | 310 helix | trans | -54.1 | -25.7 | -178.6 | -29 | 35.8 | 0 | 0 | 0 | 115 | Y94 F95 | P92-Y94 PolarHBondContact O-N 3.26Å; P92-Y94 VanDerWaalsContact O-N 3.16Å; P92-F95 PolarHBondContact O-N 3.45Å; P92-F95 VanDerWaalsContact O-N 3.13Å |
| 93 | G | 93.3 | Very high | 95.6 | Very high | 9 Ų | 9 | 34.3 Ų | 34.3 | 9% | 0.093 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -59.8 | -21.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | D91 F95 Q96 | D91-G93 PolarHBondContact O-N 2.94Å; D91-G93 PolarHBondContact OD1-N 2.9Å; G93-F95 VanDerWaalsContact C-N 3.33Å; G93-F95 PolarHBondContact O-N 3.4Å; G93-Q96 PolarHBondContact O-N 3.27Å |
| 94 | Y | 95.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -66.8 | -33.1 | 175.5 | -93.8 | -73.4 | 0 | 0 | 0 | 112.7 | L4 P6 I65 V68 L90 D91 P92 Q96 K98 V99 | L4-Y94 HydrophobicContact CB-CE2 4.12Å; L4-Y94 HydrophobicContact CD2-CE1 4.48Å; L4-Y94 HydrophobicContact CD2-CE2 3.82Å; L4-Y94 HydrophobicContact CG-CE2 3.67Å; L4-Y94 WeakPolarHBondContact O-CD2 3.42Å; L4-Y94 VanDerWaalsContact O-CE2 3.27Å; L4-Y94 WeakPolarHBondContact O-CE2 3.47Å; P6-Y94 HydrophobicContact CB-CD1 4.13Å; P6-Y94 HydrophobicContact CB-CD2 3.99Å; P6-Y94 HydrophobicContact CB-CE1 3.88Å; P6-Y94 HydrophobicContact CB-CE2 3.74Å; P6-Y94 HydrophobicContact CB-CG 4.15Å; P6-Y94 VanDerWaalsContact CD-CE2 3.41Å; P6-Y94 HydrophobicContact CG-CD2 3.89Å; P6-Y94 HydrophobicContact CG-CE2 4Å; P6-Y94 HydrophobicContact CG-CG 4.23Å; P6-Y94 VanDerWaalsContact N-CE2 3.3Å; I65-Y94 HydrophobicContact CG2-CE1 4.45Å; I65-Y94 PolarHBondContact O-OH 3.07Å; V68-Y94 HydrophobicContact CG2-CD1 3.86Å; V68-Y94 HydrophobicContact CG2-CE1 3.62Å; L90-Y94 HydrophobicContact CB-CD2 4.4Å; L90-Y94 HydrophobicContact CD2-CD2 4.16Å; L90-Y94 HydrophobicContact CD2-CE2 4.45Å; L90-Y94 HydrophobicContact CD2-CG 4.47Å; D91-Y94 HydrophobicContact CB-CD2 4.47Å; D91-Y94 WeakPolarHBondContact O-CB 3.48Å; D91-Y94 PolarHBondContact O-N 2.94Å; P92-Y94 PolarHBondContact O-N 3.26Å; P92-Y94 VanDerWaalsContact O-N 3.16Å; Y94-Q96 PolarHBondContact O-N 2.95Å; Y94-Q96 VanDerWaalsContact O-N 3.13Å; Y94-K98 HydrophobicContact CD1-CB 3.65Å; Y94-K98 HydrophobicContact CE1-CB 4.25Å; Y94-K98 CarbonylContact O-C 3.32Å; Y94-K98 VanDerWaalsContact O-C 3.32Å; Y94-K98 VanDerWaalsContact O-CA 3.28Å; Y94-K98 WeakPolarHBondContact O-CA 3.35Å; Y94-K98 VanDerWaalsContact O-CB 3.32Å; Y94-K98 WeakPolarHBondContact O-CB 3.46Å; Y94-K98 PolarHBondContact O-N 3.45Å; Y94-V99 HydrophobicContact CD1-CG2 4.46Å; Y94-V99 HydrophobicContact CG-CG2 4.5Å; Y94-V99 PolarHBondContact O-N 2.92Å |
| 95 | F | 94.3 | Very high | 95.3 | Very high | 42 Ų | 42 | 31 Ų | 31 | 18% | 0.184 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -72.1 | -6.2 | -178.5 | -56.8 | -65.4 | 0 | 0 | 0 | 113.2 | L87 L90 P92 G93 G97 V99 L126 | L87-F95 HydrophobicContact CD2-CE1 3.85Å; L87-F95 HydrophobicContact CD2-CZ 4.12Å; L90-F95 HydrophobicContact CB-CZ 4.25Å; L90-F95 HydrophobicContact CD1-CZ 4.45Å; P92-F95 PolarHBondContact O-N 3.45Å; P92-F95 VanDerWaalsContact O-N 3.13Å; G93-F95 VanDerWaalsContact C-N 3.33Å; G93-F95 PolarHBondContact O-N 3.4Å; F95-G97 PolarHBondContact O-N 2.98Å; F95-V99 HydrophobicContact CD1-CB 4.28Å; F95-V99 HydrophobicContact CD1-CG2 4.02Å; F95-V99 HydrophobicContact CE1-CG1 4.48Å; F95-V99 HydrophobicContact CE1-CG2 4.15Å; F95-L126 HydrophobicContact CD1-CB 4.04Å; F95-L126 HydrophobicContact CD1-CD2 4.33Å; F95-L126 HydrophobicContact CE1-CB 4.35Å; F95-L126 HydrophobicContact CE1-CD1 4.01Å; F95-L126 HydrophobicContact CE1-CD2 4.13Å; F95-L126 HydrophobicContact CE1-CG 4.39Å; F95-L126 HydrophobicContact CZ-CD2 4.3Å |
| 96 | Q | 91.9 | Very high | 94.9 | Very high | 111 Ų | 111 | 29.5 Ų | 29.5 | 52% | 0.519 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 49.1 | 174.2 | -58.7 | -179.4 | 6.3 | 0 | 0 | 111.8 | G93 Y94 L165 | G93-Q96 PolarHBondContact O-N 3.27Å; Y94-Q96 PolarHBondContact O-N 2.95Å; Y94-Q96 VanDerWaalsContact O-N 3.13Å; Q96-L165 HydrophobicContact CB-CD1 4.26Å |
| 97 | G | 93.3 | Very high | 94.3 | Very high | 7 Ų | 7 | 39.9 Ų | 39.9 | 7% | 0.072 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 22.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | F95 G164 | F95-G97 PolarHBondContact O-N 2.98Å; G97-G164 WeakPolarHBondContact CA-O 3.45Å |
| 98 | K | 96.3 | Very high | 93.9 | Very high | 13 Ų | 13 | 41.8 Ų | 41.8 | 6% | 0.057 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -117.6 | 12.5 | 173.4 | -58.6 | -175.7 | 156.8 | -71.4 | 0 | 113 | P6 D66 L67 V68 Y94 A155 | P6-K98 HydrophobicContact CB-CD 3.71Å; D66-K98 WeakPolarHBondContact O-CB 3.27Å; D66-K98 WeakPolarHBondContact O-CG 3.36Å; D66-K98 PolarHBondContact O-NZ 2.83Å; L67-K98 CarbonylContact C-O 3.56Å; L67-K98 WeakPolarHBondContact CA-O 3.47Å; V68-K98 PolarHBondContact N-O 3.33Å; Y94-K98 HydrophobicContact CD1-CB 3.65Å; Y94-K98 HydrophobicContact CE1-CB 4.25Å; Y94-K98 CarbonylContact O-C 3.32Å; Y94-K98 VanDerWaalsContact O-C 3.32Å; Y94-K98 VanDerWaalsContact O-CA 3.28Å; Y94-K98 WeakPolarHBondContact O-CA 3.35Å; Y94-K98 VanDerWaalsContact O-CB 3.32Å; Y94-K98 WeakPolarHBondContact O-CB 3.46Å; Y94-K98 PolarHBondContact O-N 3.45Å; K98-A155 PolarHBondContact NZ-O 2.88Å |
| 99 | V | 97.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 138.6 | 172.5 | 175.6 | 0 | 0 | 0 | 0 | 108.4 | V68 F70 L90 Y94 F95 F101 C128 P129 | V68-V99 CarbonylContact O-C 3.57Å; V68-V99 VanDerWaalsContact O-CA 3.31Å; V68-V99 WeakPolarHBondContact O-CA 3.36Å; F70-V99 HydrophobicContact CD2-CG1 4.06Å; F70-V99 HydrophobicContact CE2-CG1 4.14Å; L90-V99 HydrophobicContact CD1-CG2 3.89Å; Y94-V99 HydrophobicContact CD1-CG2 4.46Å; Y94-V99 HydrophobicContact CG-CG2 4.5Å; Y94-V99 PolarHBondContact O-N 2.92Å; F95-V99 HydrophobicContact CD1-CB 4.28Å; F95-V99 HydrophobicContact CD1-CG2 4.02Å; F95-V99 HydrophobicContact CE1-CG1 4.48Å; F95-V99 HydrophobicContact CE1-CG2 4.15Å; V99-F101 HydrophobicContact CG1-CE2 4.27Å; V99-F101 HydrophobicContact CG1-CZ 4.49Å; V99-C128 HydrophobicContact CG1-CB 4.43Å; V99-P129 WeakPolarHBondContact O-CD 3.23Å |
| 100 | C | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 139.9 | 171.9 | -174.7 | 0 | 0 | 0 | 0 | 109.3 | L67 V68 V69 F70 | L67-C100 HydrophobicContact CD1-CB 4.26Å; V68-C100 PolarHBondContact O-N 3.49Å; V69-C100 VanDerWaalsContact CA-O 3.27Å; V69-C100 WeakPolarHBondContact CA-O 3.34Å; V69-C100 HydrophobicContact CG2-CB 4.38Å; F70-C100 PolarHBondContact N-O 2.81Å |
| 101 | F | 97.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 138.8 | 168.9 | -67.2 | -81.1 | 0 | 0 | 0 | 109.6 | F70 I72 L87 V99 L122 A123 L126 C128 P129 L130 L131 | F70-F101 HydrophobicContact CB-CD1 3.72Å; F70-F101 HydrophobicContact CB-CE1 3.91Å; F70-F101 HydrophobicContact CD2-CD1 4.44Å; F70-F101 AromaticContact CD2-CE1 3.98Å; F70-F101 HydrophobicContact CD2-CE1 3.98Å; F70-F101 HydrophobicContact CD2-CZ 4.46Å; F70-F101 HydrophobicContact CG-CD1 4.43Å; F70-F101 HydrophobicContact CG-CE1 4.15Å; I72-F101 HydrophobicContact CD1-CD1 3.78Å; I72-F101 HydrophobicContact CD1-CE1 4.32Å; L87-F101 HydrophobicContact CD1-CE1 4.46Å; L87-F101 HydrophobicContact CD1-CZ 4.12Å; L87-F101 HydrophobicContact CD2-CE1 4.47Å; L87-F101 HydrophobicContact CD2-CZ 4.02Å; V99-F101 HydrophobicContact CG1-CE2 4.27Å; V99-F101 HydrophobicContact CG1-CZ 4.49Å; F101-L122 HydrophobicContact CE1-CD2 4.13Å; F101-L122 HydrophobicContact CZ-CD2 4.25Å; F101-L122 HydrophobicContact CZ-CG 4.3Å; F101-A123 HydrophobicContact CD2-CB 3.62Å; F101-A123 HydrophobicContact CE2-CB 4.09Å; F101-A123 HydrophobicContact CG-CB 4.33Å; F101-L126 HydrophobicContact CE2-CD1 4.25Å; F101-L126 HydrophobicContact CZ-CD1 3.98Å; F101-C128 HydrophobicContact CD2-CB 3.68Å; F101-C128 HydrophobicContact CE2-CB 3.6Å; F101-P129 PolarHBondContact N-O 3.43Å; F101-L130 HydrophobicContact CB-CD1 3.61Å; F101-L130 WeakPolarHBondContact O-CA 3.35Å; F101-L131 PolarHBondContact O-N 3.21Å |
| 102 | L | 97 | Very high | 92.4 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 116.3 | 175.9 | -169.5 | 70.1 | 0 | 0 | 0 | 108 | F27 L31 V69 F70 I71 I72 L131 A133 L148 | F27-L102 HydrophobicContact CD1-CD2 4.44Å; F27-L102 HydrophobicContact CE1-CD2 3.71Å; L31-L102 HydrophobicContact CD2-CD2 3.62Å; V69-L102 HydrophobicContact CG1-CB 3.9Å; F70-L102 PolarHBondContact O-N 3.18Å; I71-L102 CarbonylContact C-O 3.6Å; I71-L102 WeakPolarHBondContact CA-O 3.47Å; I71-L102 HydrophobicContact CG1-CB 4.43Å; I71-L102 HydrophobicContact CG1-CD2 4.19Å; I72-L102 PolarHBondContact N-O 3.02Å; L102-L131 CarbonylContact C-O 3.57Å; L102-L131 WeakPolarHBondContact CA-O 3.31Å; L102-L131 HydrophobicContact CD1-CB 3.5Å; L102-L131 HydrophobicContact CD1-CD1 4.29Å; L102-A133 HydrophobicContact CD1-CB 3.75Å; L102-A133 HydrophobicContact CD2-CB 4.27Å; L102-A133 HydrophobicContact CG-CB 3.95Å; L102-L148 HydrophobicContact CD2-CD1 4.12Å |
| 103 | V | 95.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 138.9 | 177 | -69.1 | 0 | 0 | 0 | 0 | 110.8 | I72 L74 L116 V119 L130 L131 C132 A133 | I72-V103 HydrophobicContact CB-CG1 4.21Å; I72-V103 WeakPolarHBondContact O-CA 3.4Å; L74-V103 HydrophobicContact CD1-CB 4.11Å; L74-V103 HydrophobicContact CD1-CG2 4.48Å; L74-V103 HydrophobicContact CD2-CB 4.39Å; L74-V103 HydrophobicContact CD2-CG1 4.08Å; L74-V103 HydrophobicContact CG-CB 4.16Å; L74-V103 HydrophobicContact CG-CG1 4.38Å; V103-L116 HydrophobicContact CG2-CD1 4.03Å; V103-V119 HydrophobicContact CG1-CB 4.2Å; V103-V119 HydrophobicContact CG1-CG1 3.69Å; V103-V119 HydrophobicContact CG1-CG2 4.2Å; V103-L130 HydrophobicContact CB-CD1 4.46Å; V103-L130 HydrophobicContact CG1-CD1 3.72Å; V103-L130 HydrophobicContact CG2-CD1 4.04Å; V103-L131 WeakPolarHBondContact CG2-O 3.46Å; V103-L131 PolarHBondContact N-O 3.08Å; V103-C132 HydrophobicContact CG2-CB 4.21Å; V103-A133 PolarHBondContact O-N 3.37Å |
| 104 | T | 94.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 165.6 | 175.2 | 50 | 0 | 0 | 0 | 0 | 109.8 | F27 I72 H73 L74 A106 A133 D135 | F27-T104 HydrophobicContact CD1-CG2 3.68Å; F27-T104 HydrophobicContact CE1-CG2 3.83Å; F27-T104 HydrophobicContact CG-CG2 4.14Å; F27-T104 HydrophobicContact CZ-CG2 4.44Å; I72-T104 PolarHBondContact O-N 3.44Å; I72-T104 VanDerWaalsContact O-N 3.15Å; I72-T104 PolarHBondContact O-OG1 3.24Å; H73-T104 WeakPolarHBondContact CA-OG1 3.29Å; H73-T104 PolarHBondContact CE1-OG1 3.46Å; H73-T104 VanDerWaalsContact CE1-OG1 3.29Å; H73-T104 PolarHBondContact ND1-OG1 3.22Å; L74-T104 WeakPolarHBondContact CD1-O 3.4Å; L74-T104 WeakPolarHBondContact CG-O 3.36Å; L74-T104 PolarHBondContact N-O 3.18Å; T104-A106 PolarHBondContact O-N 3.31Å; T104-A106 VanDerWaalsContact O-N 3.09Å; T104-A133 HydrophobicContact CG2-CB 4.35Å; T104-D135 HydrophobicContact CG2-CB 3.99Å |
| 105 | S | 91.3 | Very high | 91.7 | Very high | 15 Ų | 15 | 51.2 Ų | 51.2 | 11% | 0.105 | 27% | 0.273 | C | S | . | . | trans | 58.3 | 20.1 | -179.7 | -69.2 | 0 | 0 | 0 | 0 | 116 | R107 N108 | S105-R107 PolarHBondContact O-N 2.87Å; S105-R107 VanDerWaalsContact O-N 3.17Å; S105-N108 VanDerWaalsContact O-CB 3.27Å; S105-N108 WeakPolarHBondContact O-CB 3.48Å; S105-N108 PolarHBondContact O-N 3.43Å | ||
| 106 | A | 88.4 | Confident | 91.6 | Very high | 38 Ų | 38 | 50.9 Ų | 50.9 | 31% | 0.314 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -20.2 | -180 | 0 | 0 | 0 | 0 | 0 | 114.3 | L74 T104 | L74-A106 HydrophobicContact CD1-CB 3.68Å; T104-A106 PolarHBondContact O-N 3.31Å; T104-A106 VanDerWaalsContact O-N 3.09Å |
| 107 | R | 85.6 | Confident | 91.7 | Very high | 219 Ų | 219 | 48 Ų | 48 | 83% | 0.826 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 1.4 | 176.1 | -65.4 | -177.5 | 174.9 | 176.6 | -3.6 | 113.2 | S105 V109 E134 | S105-R107 PolarHBondContact O-N 2.87Å; S105-R107 VanDerWaalsContact O-N 3.17Å; R107-V109 PolarHBondContact O-N 3.33Å; R107-E134 IonicContact NH1-OE2 3.55Å |
| 108 | N | 86.1 | Confident | 91.7 | Very high | 59 Ų | 59 | 50.2 Ų | 50.2 | 32% | 0.316 | 28% | 0.277 | S | S | . | . | trans | -76.3 | 123.7 | -179.1 | -169.8 | -17.4 | 0 | 0 | 0 | 109.9 | S105 S110 V111 | S105-N108 VanDerWaalsContact O-CB 3.27Å; S105-N108 WeakPolarHBondContact O-CB 3.48Å; S105-N108 PolarHBondContact O-N 3.43Å; N108-S110 VanDerWaalsContact CG-OG 3.3Å; N108-S110 PolarHBondContact ND2-OG 3.25Å; N108-S110 PolarHBondContact O-N 3.4Å; N108-S110 PolarHBondContact OD1-N 3.14Å; N108-S110 VanDerWaalsContact OD1-N 3.12Å; N108-S110 PolarHBondContact OD1-OG 2.91Å; N108-V111 HydrophobicContact CB-CG2 3.94Å; N108-V111 WeakPolarHBondContact O-CB 3.38Å; N108-V111 PolarHBondContact O-N 2.97Å | ||
| 109 | V | 86.3 | Confident | 91.7 | Very high | 146 Ų | 146 | 49.7 Ų | 49.7 | 89% | 0.885 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -24.8 | -178 | -175.6 | 0 | 0 | 0 | 0 | 112.1 | R107 V111 | R107-V109 PolarHBondContact O-N 3.33Å; V109-V111 VanDerWaalsContact C-N 3.26Å; V109-V111 PolarHBondContact O-N 3.28Å |
| 110 | S | 87.3 | Confident | 91.6 | Very high | 86 Ų | 86 | 53.2 Ų | 53.2 | 60% | 0.601 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -13.4 | 177.6 | 68.1 | 0 | 0 | 0 | 0 | 114.1 | N108 P112 | N108-S110 VanDerWaalsContact CG-OG 3.3Å; N108-S110 PolarHBondContact ND2-OG 3.25Å; N108-S110 PolarHBondContact O-N 3.4Å; N108-S110 PolarHBondContact OD1-N 3.14Å; N108-S110 VanDerWaalsContact OD1-N 3.12Å; N108-S110 PolarHBondContact OD1-OG 2.91Å; S110-P112 WeakPolarHBondContact O-CD 3.34Å |
| 111 | V | 88.6 | Confident | 91.5 | Very high | 19 Ų | 19 | 59.1 Ų | 59.1 | 12% | 0.115 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -85.9 | 120.9 | -177.9 | 173.5 | 0 | 0 | 0 | 0 | 109.4 | L74 T75 N108 V109 R115 | L74-V111 HydrophobicContact CB-CG1 3.61Å; L74-V111 HydrophobicContact CB-CG2 4.26Å; T75-V111 HydrophobicContact CG2-CG2 3.55Å; N108-V111 HydrophobicContact CB-CG2 3.94Å; N108-V111 WeakPolarHBondContact O-CB 3.38Å; N108-V111 PolarHBondContact O-N 2.97Å; V109-V111 VanDerWaalsContact C-N 3.26Å; V109-V111 PolarHBondContact O-N 3.28Å; V111-R115 HydrophobicContact CG1-CB 4.27Å |
| 112 | P | 88.8 | Confident | 91.4 | Very high | 64 Ų | 64 | 60.2 Ų | 60.2 | 42% | 0.416 | 32% | 0.32 | S | S | . | . | trans | -61.6 | 135.5 | 174.2 | -20 | 31.1 | 0 | 0 | 0 | 111.2 | S110 E114 R115 | S110-P112 WeakPolarHBondContact O-CD 3.34Å; P112-E114 WeakPolarHBondContact CB-OE2 3.25Å; P112-E114 PolarHBondContact O-N 3.1Å; P112-E114 VanDerWaalsContact O-N 3.13Å; P112-R115 HydrophobicContact CB-CG 4.22Å; P112-R115 HydrophobicContact CG-CG 4.36Å; P112-R115 WeakPolarHBondContact O-CB 3.45Å; P112-R115 WeakPolarHBondContact O-CG 3.47Å; P112-R115 PolarHBondContact O-N 3.11Å; P112-R115 VanDerWaalsContact O-N 3.08Å | ||
| 113 | P | 87.1 | Confident | 91.4 | Very high | 93 Ų | 93 | 60.1 Ų | 60.1 | 60% | 0.604 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -60.3 | -26.4 | -177.4 | 25.2 | -34.4 | 0 | 0 | 0 | 112.8 | R115 L116 V117 | P113-R115 PolarHBondContact O-N 2.87Å; P113-L116 PolarHBondContact O-N 2.88Å; P113-V117 WeakPolarHBondContact O-CG2 3.37Å; P113-V117 PolarHBondContact O-N 3.4Å |
| 114 | E | 90.4 | Very high | 91.3 | Very high | 119 Ų | 119 | 61 Ų | 61 | 56% | 0.556 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -58.9 | -31.2 | 178 | -59.3 | 75.3 | -162.1 | 0 | 0 | 111.8 | P112 V117 S118 | P112-E114 WeakPolarHBondContact CB-OE2 3.25Å; P112-E114 PolarHBondContact O-N 3.1Å; P112-E114 VanDerWaalsContact O-N 3.13Å; E114-V117 WeakPolarHBondContact O-CB 3.34Å; E114-V117 PolarHBondContact O-N 2.7Å; E114-S118 PolarHBondContact O-N 2.82Å; E114-S118 PolarHBondContact O-OG 2.82Å |
| 115 | R | 91.3 | Very high | 91.3 | Very high | 42 Ų | 42 | 64.8 Ų | 64.8 | 16% | 0.158 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.1 | -46.7 | -178.7 | -59.6 | -76.4 | -81.8 | 132 | 19.9 | 110.7 | L74 S76 E77 V111 P112 P113 V117 S118 V119 | L74-R115 HydrophobicContact CD2-CB 4.42Å; L74-R115 PolarHBondContact O-NH2 3.1Å; L74-R115 VanDerWaalsContact O-NH2 3.08Å; S76-R115 PolarHBondContact O-NH2 2.98Å; E77-R115 VanDerWaalsContact N-NH2 3.15Å; V111-R115 HydrophobicContact CG1-CB 4.27Å; P112-R115 HydrophobicContact CB-CG 4.22Å; P112-R115 HydrophobicContact CG-CG 4.36Å; P112-R115 WeakPolarHBondContact O-CB 3.45Å; P112-R115 WeakPolarHBondContact O-CG 3.47Å; P112-R115 PolarHBondContact O-N 3.11Å; P112-R115 VanDerWaalsContact O-N 3.08Å; P113-R115 PolarHBondContact O-N 2.87Å; R115-V117 VanDerWaalsContact C-N 3.3Å; R115-V117 PolarHBondContact O-N 2.84Å; R115-S118 PolarHBondContact O-N 2.84Å; R115-V119 WeakPolarHBondContact O-CG2 3.39Å; R115-V119 PolarHBondContact O-N 2.8Å; R115-V119 VanDerWaalsContact O-N 3.14Å |
| 116 | L | 92.6 | Very high | 91.4 | Very high | 36 Ų | 36 | 66 Ų | 66 | 19% | 0.188 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.8 | -37.1 | 175.6 | -179.1 | 63 | 0 | 0 | 0 | 111.4 | L74 V103 P113 V119 R120 | L74-L116 HydrophobicContact CD1-CB 4.32Å; L74-L116 HydrophobicContact CD1-CD1 4.06Å; V103-L116 HydrophobicContact CG2-CD1 4.03Å; P113-L116 PolarHBondContact O-N 2.88Å; L116-V119 PolarHBondContact O-N 2.82Å; L116-R120 WeakPolarHBondContact O-CB 3.18Å; L116-R120 PolarHBondContact O-N 2.94Å |
| 117 | V | 93 | Very high | 91.6 | Very high | 51 Ų | 51 | 69.5 Ų | 69.5 | 31% | 0.309 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 175.4 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | P113 E114 R115 R120 K121 | P113-V117 WeakPolarHBondContact O-CG2 3.37Å; P113-V117 PolarHBondContact O-N 3.4Å; E114-V117 WeakPolarHBondContact O-CB 3.34Å; E114-V117 PolarHBondContact O-N 2.7Å; R115-V117 VanDerWaalsContact C-N 3.3Å; R115-V117 PolarHBondContact O-N 2.84Å; V117-R120 WeakPolarHBondContact O-CB 3.47Å; V117-R120 PolarHBondContact O-N 3.47Å; V117-K121 HydrophobicContact CG1-CD 4.22Å; V117-K121 HydrophobicContact CG1-CG 4.44Å; V117-K121 WeakPolarHBondContact O-CG 3.04Å; V117-K121 PolarHBondContact O-N 3.25Å |
| 118 | S | 93.9 | Very high | 92.1 | Very high | 52 Ų | 52 | 59.1 Ų | 59.1 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 175.9 | -64.4 | 0 | 0 | 0 | 0 | 112.2 | E114 R115 R120 K121 L122 | E114-S118 PolarHBondContact O-N 2.82Å; E114-S118 PolarHBondContact O-OG 2.82Å; R115-S118 PolarHBondContact O-N 2.84Å; S118-R120 VanDerWaalsContact C-N 3.31Å; S118-R120 PolarHBondContact O-N 2.82Å; S118-K121 PolarHBondContact O-N 3.33Å; S118-L122 PolarHBondContact O-N 2.85Å |
| 119 | V | 95.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.012 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 174.7 | -170.4 | 0 | 0 | 0 | 0 | 111.5 | I72 L74 F80 V103 R115 L116 L122 A123 L130 | I72-V119 HydrophobicContact CD1-CG1 3.76Å; I72-V119 HydrophobicContact CD1-CG2 4.41Å; I72-V119 HydrophobicContact CG2-CG2 4.15Å; L74-V119 HydrophobicContact CD2-CG2 3.71Å; F80-V119 HydrophobicContact CD2-CG2 3.69Å; F80-V119 HydrophobicContact CE2-CB 4.31Å; F80-V119 HydrophobicContact CE2-CG2 3.78Å; V103-V119 HydrophobicContact CG1-CB 4.2Å; V103-V119 HydrophobicContact CG1-CG1 3.69Å; V103-V119 HydrophobicContact CG1-CG2 4.2Å; R115-V119 WeakPolarHBondContact O-CG2 3.39Å; R115-V119 PolarHBondContact O-N 2.8Å; R115-V119 VanDerWaalsContact O-N 3.14Å; L116-V119 PolarHBondContact O-N 2.82Å; V119-L122 PolarHBondContact O-N 2.67Å; V119-A123 WeakPolarHBondContact O-CB 3.39Å; V119-A123 PolarHBondContact O-N 3.42Å; V119-L130 HydrophobicContact CG1-CD1 3.86Å; V119-L130 HydrophobicContact CG1-CD2 4.48Å |
| 120 | R | 95 | Very high | 92.9 | Very high | 76 Ų | 76 | 51.1 Ų | 51.1 | 29% | 0.287 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 176.3 | -169.7 | -179.3 | -70.3 | 143 | 1.6 | 111.6 | L116 V117 S118 A123 A124 L130 C173 V175 | L116-R120 WeakPolarHBondContact O-CB 3.18Å; L116-R120 PolarHBondContact O-N 2.94Å; V117-R120 WeakPolarHBondContact O-CB 3.47Å; V117-R120 PolarHBondContact O-N 3.47Å; S118-R120 VanDerWaalsContact C-N 3.31Å; S118-R120 PolarHBondContact O-N 2.82Å; R120-A123 PolarHBondContact O-N 2.82Å; R120-A124 VanDerWaalsContact O-CB 3.25Å; R120-A124 WeakPolarHBondContact O-CB 3.39Å; R120-A124 PolarHBondContact O-N 3.5Å; R120-L130 HydrophobicContact CB-CD2 4.25Å; R120-C173 WeakPolarHBondContact CG-SG 3.13Å; R120-V175 HydrophobicContact CG-CG2 4.46Å |
| 121 | K | 95.4 | Very high | 93.3 | Very high | 123 Ų | 123 | 48.4 Ų | 48.4 | 54% | 0.535 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 176.3 | -74.7 | 178.6 | 178.7 | -177.1 | 0 | 111.2 | V117 S118 A124 S125 V175 | V117-K121 HydrophobicContact CG1-CD 4.22Å; V117-K121 HydrophobicContact CG1-CG 4.44Å; V117-K121 WeakPolarHBondContact O-CG 3.04Å; V117-K121 PolarHBondContact O-N 3.25Å; S118-K121 PolarHBondContact O-N 3.33Å; K121-A124 PolarHBondContact O-N 2.84Å; K121-S125 WeakPolarHBondContact O-CB 3.48Å; K121-S125 PolarHBondContact O-N 3.23Å; K121-S125 PolarHBondContact O-OG 2.99Å; K121-V175 HydrophobicContact CG-CG1 4.29Å; K121-V175 HydrophobicContact CG-CG2 4.13Å |
| 122 | L | 95.7 | Very high | 93.6 | Very high | 23 Ų | 23 | 51.2 Ų | 51.2 | 12% | 0.12 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.6 | -53.3 | 175.9 | -179.3 | 65.5 | 0 | 0 | 0 | 111.5 | F80 E84 L87 F101 S118 V119 A124 S125 L126 | F80-L122 HydrophobicContact CE2-CB 4.44Å; F80-L122 HydrophobicContact CE2-CD2 3.73Å; F80-L122 HydrophobicContact CZ-CD2 4.16Å; E84-L122 HydrophobicContact CG-CD1 4.45Å; E84-L122 HydrophobicContact CG-CD2 3.76Å; L87-L122 HydrophobicContact CD1-CD1 3.96Å; L87-L122 HydrophobicContact CD1-CD2 4.03Å; L87-L122 HydrophobicContact CD1-CG 4.28Å; F101-L122 HydrophobicContact CE1-CD2 4.13Å; F101-L122 HydrophobicContact CZ-CD2 4.25Å; F101-L122 HydrophobicContact CZ-CG 4.3Å; S118-L122 PolarHBondContact O-N 2.85Å; V119-L122 PolarHBondContact O-N 2.67Å; L122-A124 VanDerWaalsContact C-N 3.32Å; L122-A124 PolarHBondContact O-N 3.2Å; L122-S125 PolarHBondContact O-N 3.28Å; L122-S125 PolarHBondContact O-OG 3.38Å; L122-L126 HydrophobicContact CD1-CD1 3.96Å; L122-L126 HydrophobicContact CG-CD1 4.24Å; L122-L126 PolarHBondContact O-N 3.29Å |
| 123 | A | 95.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.2 | -40.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F101 V119 R120 L126 H127 C128 L130 C173 | F101-A123 HydrophobicContact CD2-CB 3.62Å; F101-A123 HydrophobicContact CE2-CB 4.09Å; F101-A123 HydrophobicContact CG-CB 4.33Å; V119-A123 WeakPolarHBondContact O-CB 3.39Å; V119-A123 PolarHBondContact O-N 3.42Å; R120-A123 PolarHBondContact O-N 2.82Å; A123-L126 CarbonylContact O-C 3.56Å; A123-L126 PolarHBondContact O-N 2.73Å; A123-H127 PolarHBondContact O-N 3.4Å; A123-H127 VanDerWaalsContact O-N 3.1Å; A123-C128 PolarHBondContact O-N 3.39Å; A123-L130 HydrophobicContact CB-CB 4.09Å; A123-C173 HydrophobicContact CB-CB 3.81Å |
| 124 | A | 94.7 | Very high | 94 | Very high | 17 Ų | 17 | 47.8 Ų | 47.8 | 14% | 0.14 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.9 | -41.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R120 K121 L122 L126 H127 C173 V175 | R120-A124 VanDerWaalsContact O-CB 3.25Å; R120-A124 WeakPolarHBondContact O-CB 3.39Å; R120-A124 PolarHBondContact O-N 3.5Å; K121-A124 PolarHBondContact O-N 2.84Å; L122-A124 VanDerWaalsContact C-N 3.32Å; L122-A124 PolarHBondContact O-N 3.2Å; A124-L126 PolarHBondContact O-N 3.27Å; A124-H127 PolarHBondContact O-N 2.87Å; A124-H127 VanDerWaalsContact O-N 3.1Å; A124-H127 PolarHBondContact O-ND1 2.93Å; A124-C173 WeakPolarHBondContact CA-O 3.19Å; A124-C173 HydrophobicContact CB-CB 4.37Å; A124-C173 WeakPolarHBondContact CB-O 2.92Å; A124-V175 HydrophobicContact CB-CG2 3.51Å |
| 125 | S | 94.4 | Very high | 94 | Very high | 81 Ų | 81 | 43.9 Ų | 43.9 | 57% | 0.566 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -62 | -28.5 | 177.4 | 74.2 | 0 | 0 | 0 | 0 | 113 | K121 L122 | K121-S125 WeakPolarHBondContact O-CB 3.48Å; K121-S125 PolarHBondContact O-N 3.23Å; K121-S125 PolarHBondContact O-OG 2.99Å; L122-S125 PolarHBondContact O-N 3.28Å; L122-S125 PolarHBondContact O-OG 3.38Å |
| 126 | L | 94.2 | Very high | 93.9 | Very high | 41 Ų | 41 | 48.9 Ų | 48.9 | 22% | 0.215 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 5.9 | 179.2 | -61.2 | 170.5 | 0 | 0 | 0 | 112.9 | L87 F95 F101 L122 A123 A124 C128 | L87-L126 HydrophobicContact CD1-CD1 3.64Å; L87-L126 HydrophobicContact CD2-CD1 4.13Å; L87-L126 HydrophobicContact CG-CD1 4.5Å; F95-L126 HydrophobicContact CD1-CB 4.04Å; F95-L126 HydrophobicContact CD1-CD2 4.33Å; F95-L126 HydrophobicContact CE1-CB 4.35Å; F95-L126 HydrophobicContact CE1-CD1 4.01Å; F95-L126 HydrophobicContact CE1-CD2 4.13Å; F95-L126 HydrophobicContact CE1-CG 4.39Å; F95-L126 HydrophobicContact CZ-CD2 4.3Å; F101-L126 HydrophobicContact CE2-CD1 4.25Å; F101-L126 HydrophobicContact CZ-CD1 3.98Å; L122-L126 HydrophobicContact CD1-CD1 3.96Å; L122-L126 HydrophobicContact CG-CD1 4.24Å; L122-L126 PolarHBondContact O-N 3.29Å; A123-L126 CarbonylContact O-C 3.56Å; A123-L126 PolarHBondContact O-N 2.73Å; A124-L126 PolarHBondContact O-N 3.27Å; L126-C128 PolarHBondContact O-N 3.15Å; L126-C128 VanDerWaalsContact O-N 3.1Å; L126-C128 PolarHBondContact O-SG 2.94Å |
| 127 | H | 92.8 | Very high | 93.9 | Very high | 110 Ų | 110 | 49.9 Ų | 49.9 | 51% | 0.509 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 33.8 | -176 | -57.8 | -55.8 | 0 | 0 | 0 | 114 | A123 A124 | A123-H127 PolarHBondContact O-N 3.4Å; A123-H127 VanDerWaalsContact O-N 3.1Å; A124-H127 PolarHBondContact O-N 2.87Å; A124-H127 VanDerWaalsContact O-N 3.1Å; A124-H127 PolarHBondContact O-ND1 2.93Å |
| 128 | C | 94.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.007 | 28% | 0.284 | C | S | . | . | trans | -97.1 | 151.5 | -178 | -68.6 | 0 | 0 | 0 | 0 | 111.3 | V99 F101 A123 L126 C173 | V99-C128 HydrophobicContact CG1-CB 4.43Å; F101-C128 HydrophobicContact CD2-CB 3.68Å; F101-C128 HydrophobicContact CE2-CB 3.6Å; A123-C128 PolarHBondContact O-N 3.39Å; L126-C128 PolarHBondContact O-N 3.15Å; L126-C128 VanDerWaalsContact O-N 3.1Å; L126-C128 PolarHBondContact O-SG 2.94Å; C128-C173 WeakPolarHBondContact O-CB 3.18Å; C128-C173 PolarHBondContact O-N 2.94Å; C128-C173 VanDerWaalsContact O-N 3.08Å | ||
| 129 | P | 95.1 | Very high | 93.9 | Very high | 5 Ų | 5 | 57.1 Ų | 57.1 | 3% | 0.032 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -67.4 | 146.3 | 168.8 | -14.7 | 31 | 0 | 0 | 0 | 111.2 | V99 F101 T171 | V99-P129 WeakPolarHBondContact O-CD 3.23Å; F101-P129 PolarHBondContact N-O 3.43Å; P129-T171 WeakPolarHBondContact CA-O 3.04Å; P129-T171 VanDerWaalsContact CG-OG1 3.3Å; P129-T171 WeakPolarHBondContact CG-OG1 3.48Å |
| 130 | L | 95.8 | Very high | 93.8 | Very high | 33 Ų | 33 | 57.5 Ų | 57.5 | 17% | 0.173 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 116.1 | 172.7 | 175.7 | 62.3 | 0 | 0 | 0 | 108.9 | F101 V103 V119 R120 A123 C173 | F101-L130 HydrophobicContact CB-CD1 3.61Å; F101-L130 WeakPolarHBondContact O-CA 3.35Å; V103-L130 HydrophobicContact CB-CD1 4.46Å; V103-L130 HydrophobicContact CG1-CD1 3.72Å; V103-L130 HydrophobicContact CG2-CD1 4.04Å; V119-L130 HydrophobicContact CG1-CD1 3.86Å; V119-L130 HydrophobicContact CG1-CD2 4.48Å; R120-L130 HydrophobicContact CB-CD2 4.25Å; A123-L130 HydrophobicContact CB-CB 4.09Å; L130-C173 HydrophobicContact CB-CB 4.21Å |
| 131 | L | 95.3 | Very high | 93.8 | Very high | 28 Ų | 28 | 54 Ų | 54 | 15% | 0.147 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 137 | 177 | -62.3 | -177.4 | 0 | 0 | 0 | 110 | F101 L102 V103 R147 L148 I151 | F101-L131 PolarHBondContact O-N 3.21Å; L102-L131 CarbonylContact C-O 3.57Å; L102-L131 WeakPolarHBondContact CA-O 3.31Å; L102-L131 HydrophobicContact CD1-CB 3.5Å; L102-L131 HydrophobicContact CD1-CD1 4.29Å; V103-L131 WeakPolarHBondContact CG2-O 3.46Å; V103-L131 PolarHBondContact N-O 3.08Å; L131-R147 HydrophobicContact CD1-CB 4.07Å; L131-L148 HydrophobicContact CD1-CD2 3.95Å; L131-L148 HydrophobicContact CD1-CG 4.47Å; L131-I151 HydrophobicContact CD1-CD1 3.84Å; L131-I151 HydrophobicContact CG-CD1 4.48Å |
| 132 | C | 94 | Very high | 93.9 | Very high | 79 Ų | 79 | 51.1 Ų | 51.1 | 53% | 0.534 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 121.3 | 167.5 | -58.6 | 0 | 0 | 0 | 0 | 108.9 | V103 | V103-C132 HydrophobicContact CG2-CB 4.21Å |
| 133 | A | 94.1 | Very high | 93.9 | Very high | 9 Ų | 9 | 53 Ų | 53 | 7% | 0.074 | 30% | 0.296 | C | S | . | . | trans | -105.6 | 144.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | F27 L102 V103 T104 A144 | F27-A133 HydrophobicContact CE1-CB 4.12Å; F27-A133 HydrophobicContact CZ-CB 4.06Å; L102-A133 HydrophobicContact CD1-CB 3.75Å; L102-A133 HydrophobicContact CD2-CB 4.27Å; L102-A133 HydrophobicContact CG-CB 3.95Å; V103-A133 PolarHBondContact O-N 3.37Å; T104-A133 HydrophobicContact CG2-CB 4.35Å; A133-A144 HydrophobicContact CB-CB 3.7Å | ||
| 134 | E | 91.8 | Very high | 93.9 | Very high | 76 Ų | 76 | 53.3 Ų | 53.3 | 36% | 0.355 | 30% | 0.299 | S | S | . | . | trans | -98.2 | 115 | 167.2 | -173.1 | 178.4 | 146.8 | 0 | 0 | 108.1 | R107 T137 G140 V141 | R107-E134 IonicContact NH1-OE2 3.55Å; E134-T137 VanDerWaalsContact CD-OG1 3.26Å; E134-T137 WeakPolarHBondContact OE1-CG2 3.48Å; E134-T137 PolarHBondContact OE1-OG1 3.13Å; E134-G140 CarbonylContact O-C 3.59Å; E134-G140 WeakPolarHBondContact O-CA 3.27Å; E134-V141 PolarHBondContact O-N 3.43Å | ||
| 135 | D | 90 | Very high | 94 | Very high | 36 Ų | 36 | 52.5 Ų | 52.5 | 19% | 0.193 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -89.6 | -24.8 | -172.5 | 55.3 | -56 | 0 | 0 | 0 | 113.2 | F27 K30 T104 | F27-D135 HydrophobicContact CD2-CB 3.58Å; F27-D135 HydrophobicContact CE2-CB 3.69Å; F27-D135 HydrophobicContact CG-CB 4.24Å; F27-D135 HydrophobicContact CZ-CB 4.41Å; K30-D135 PolarHBondContact NZ-O 3.27Å; T104-D135 HydrophobicContact CG2-CB 3.99Å |
| 136 | Q | 88.8 | Confident | 94.1 | Very high | 147 Ų | 147 | 54.8 Ų | 54.8 | 69% | 0.687 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -72.9 | -39.9 | -175.3 | -60.4 | -177.7 | 22.8 | 0 | 0 | 112.7 | ||
| 137 | T | 92.3 | Very high | 94.2 | Very high | 57 Ų | 57 | 59.2 Ų | 59.2 | 35% | 0.35 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -96.8 | 146.4 | -177.8 | 56.7 | 0 | 0 | 0 | 0 | 112 | E134 E139 G140 V141 | E134-T137 VanDerWaalsContact CD-OG1 3.26Å; E134-T137 WeakPolarHBondContact OE1-CG2 3.48Å; E134-T137 PolarHBondContact OE1-OG1 3.13Å; T137-E139 VanDerWaalsContact C-N 3.32Å; T137-G140 PolarHBondContact O-N 2.95Å; T137-G140 PolarHBondContact OG1-N 3.18Å; T137-V141 VanDerWaalsContact O-CG2 3.27Å; T137-V141 WeakPolarHBondContact O-CG2 3.41Å; T137-V141 PolarHBondContact O-N 2.93Å |
| 138 | T | 92.9 | Very high | 94.4 | Very high | 109 Ų | 109 | 54 Ų | 54 | 67% | 0.669 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -65.5 | -36.7 | 176.4 | 50.1 | 0 | 0 | 0 | 0 | 111.9 | V141 T142 | T138-V141 PolarHBondContact O-N 3.45Å; T138-T142 WeakPolarHBondContact O-CB 3.37Å; T138-T142 PolarHBondContact O-N 3.11Å; T138-T142 PolarHBondContact O-OG1 2.73Å |
| 139 | E | 94.3 | Very high | 94.5 | Very high | 146 Ų | 146 | 54.2 Ų | 54.2 | 68% | 0.682 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.5 | -39.7 | 174.1 | -172.7 | 178.1 | -176.3 | 0 | 0 | 112 | T137 T142 T143 | T137-E139 VanDerWaalsContact C-N 3.32Å; E139-T142 WeakPolarHBondContact O-CB 3.45Å; E139-T142 PolarHBondContact O-N 3.36Å; E139-T143 WeakPolarHBondContact O-CB 3.24Å; E139-T143 PolarHBondContact O-N 2.92Å; E139-T143 PolarHBondContact O-OG1 2.89Å |
| 140 | G | 94 | Very high | 94.5 | Very high | 11 Ų | 11 | 56.5 Ų | 56.5 | 11% | 0.113 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.2 | -48.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E134 T137 T142 T143 A144 | E134-G140 CarbonylContact O-C 3.59Å; E134-G140 WeakPolarHBondContact O-CA 3.27Å; T137-G140 PolarHBondContact O-N 2.95Å; T137-G140 PolarHBondContact OG1-N 3.18Å; G140-T142 PolarHBondContact O-N 3.35Å; G140-T143 PolarHBondContact O-N 2.98Å; G140-A144 WeakPolarHBondContact O-CB 3.49Å; G140-A144 PolarHBondContact O-N 2.98Å |
| 141 | V | 95.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 176.6 | -171.3 | 0 | 0 | 0 | 0 | 111.3 | F27 K30 L31 T34 E134 T137 T138 T143 A144 A145 | F27-V141 HydrophobicContact CE2-CB 4.33Å; F27-V141 HydrophobicContact CE2-CG1 4.03Å; F27-V141 HydrophobicContact CE2-CG2 3.67Å; F27-V141 HydrophobicContact CZ-CG1 4.32Å; F27-V141 HydrophobicContact CZ-CG2 4.41Å; K30-V141 HydrophobicContact CD-CG2 3.92Å; K30-V141 VanDerWaalsContact CE-CG2 3.45Å; K30-V141 HydrophobicContact CG-CG1 4.26Å; K30-V141 HydrophobicContact CG-CG2 4.46Å; L31-V141 HydrophobicContact CD1-CG1 4.18Å; T34-V141 HydrophobicContact CG2-CG1 4.4Å; E134-V141 PolarHBondContact O-N 3.43Å; T137-V141 VanDerWaalsContact O-CG2 3.27Å; T137-V141 WeakPolarHBondContact O-CG2 3.41Å; T137-V141 PolarHBondContact O-N 2.93Å; T138-V141 PolarHBondContact O-N 3.45Å; V141-T143 VanDerWaalsContact C-N 3.32Å; V141-T143 PolarHBondContact O-N 2.91Å; V141-A144 PolarHBondContact O-N 3.1Å; V141-A145 WeakPolarHBondContact O-CB 3.27Å; V141-A145 PolarHBondContact O-N 3.47Å |
| 142 | T | 96.1 | Very high | 94.6 | Very high | 64 Ų | 64 | 54.4 Ų | 54.4 | 39% | 0.393 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.1 | -44.1 | 177.3 | -61.5 | 0 | 0 | 0 | 0 | 110.8 | Q38 T138 E139 G140 A145 H146 | Q38-T142 PolarHBondContact NE2-O 3.14Å; T138-T142 WeakPolarHBondContact O-CB 3.37Å; T138-T142 PolarHBondContact O-N 3.11Å; T138-T142 PolarHBondContact O-OG1 2.73Å; E139-T142 WeakPolarHBondContact O-CB 3.45Å; E139-T142 PolarHBondContact O-N 3.36Å; G140-T142 PolarHBondContact O-N 3.35Å; T142-A145 PolarHBondContact O-N 3.17Å; T142-H146 WeakPolarHBondContact O-CB 3.03Å; T142-H146 PolarHBondContact O-N 3.15Å |
| 143 | T | 96.3 | Very high | 94.7 | Very high | 62 Ų | 62 | 53.1 Ų | 53.1 | 38% | 0.38 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.9 | -41.6 | 177.5 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | E139 G140 V141 H146 R147 | E139-T143 WeakPolarHBondContact O-CB 3.24Å; E139-T143 PolarHBondContact O-N 2.92Å; E139-T143 PolarHBondContact O-OG1 2.89Å; G140-T143 PolarHBondContact O-N 2.98Å; V141-T143 VanDerWaalsContact C-N 3.32Å; V141-T143 PolarHBondContact O-N 2.91Å; T143-H146 PolarHBondContact O-N 3.39Å; T143-R147 WeakPolarHBondContact O-CG 3.41Å; T143-R147 PolarHBondContact O-N 2.68Å |
| 144 | A | 96.3 | Very high | 94.8 | Very high | 6 Ų | 6 | 53.4 Ų | 53.4 | 5% | 0.05 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.8 | -47.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L31 A133 G140 V141 H146 R147 L148 | L31-A144 HydrophobicContact CD1-CB 4.31Å; A133-A144 HydrophobicContact CB-CB 3.7Å; G140-A144 WeakPolarHBondContact O-CB 3.49Å; G140-A144 PolarHBondContact O-N 2.98Å; V141-A144 PolarHBondContact O-N 3.1Å; A144-H146 VanDerWaalsContact C-N 3.32Å; A144-H146 PolarHBondContact O-N 3.03Å; A144-R147 PolarHBondContact O-N 3.17Å; A144-L148 WeakPolarHBondContact O-CG 3.21Å; A144-L148 PolarHBondContact O-N 3.09Å |
| 145 | A | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.5 | -44.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L31 T34 V35 V141 T142 R147 L148 L149 | L31-A145 HydrophobicContact CD1-CB 3.99Å; T34-A145 HydrophobicContact CG2-CB 3.63Å; V35-A145 HydrophobicContact CG2-CB 3.68Å; V141-A145 WeakPolarHBondContact O-CB 3.27Å; V141-A145 PolarHBondContact O-N 3.47Å; T142-A145 PolarHBondContact O-N 3.17Å; A145-R147 PolarHBondContact O-N 3.29Å; A145-L148 PolarHBondContact O-N 2.87Å; A145-L149 WeakPolarHBondContact O-CB 3.09Å; A145-L149 WeakPolarHBondContact O-CG 3.44Å; A145-L149 PolarHBondContact O-N 2.93Å |
| 146 | H | 96.3 | Very high | 95.2 | Very high | 129 Ų | 129 | 49 Ų | 49 | 60% | 0.597 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -62.8 | -43.8 | 179.7 | -172.2 | 77.6 | 0 | 0 | 0 | 112.1 | T142 T143 A144 L149 A150 | T142-H146 WeakPolarHBondContact O-CB 3.03Å; T142-H146 PolarHBondContact O-N 3.15Å; T143-H146 PolarHBondContact O-N 3.39Å; A144-H146 VanDerWaalsContact C-N 3.32Å; A144-H146 PolarHBondContact O-N 3.03Å; H146-L149 PolarHBondContact O-N 3.32Å; H146-A150 PolarHBondContact O-N 2.96Å; H146-A150 VanDerWaalsContact O-N 3.1Å |
| 147 | R | 95.9 | Very high | 95.4 | Very high | 134 Ų | 134 | 44.9 Ų | 44.9 | 51% | 0.506 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 175.8 | -69.8 | 177.4 | -176.3 | -150 | 1.8 | 111.8 | L131 T143 A144 A145 A150 I151 | L131-R147 HydrophobicContact CD1-CB 4.07Å; T143-R147 WeakPolarHBondContact O-CG 3.41Å; T143-R147 PolarHBondContact O-N 2.68Å; A144-R147 PolarHBondContact O-N 3.17Å; A145-R147 PolarHBondContact O-N 3.29Å; R147-A150 PolarHBondContact O-N 3.45Å; R147-I151 WeakPolarHBondContact O-CG1 3.38Å; R147-I151 PolarHBondContact O-N 3.37Å |
| 148 | L | 96.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.9 | -40.5 | 176.3 | -73.9 | -179.8 | 0 | 0 | 0 | 112.3 | L31 V69 L102 L131 A144 A145 A150 I151 L152 | L31-L148 HydrophobicContact CD1-CD1 4.19Å; L31-L148 HydrophobicContact CD2-CD1 3.69Å; L31-L148 HydrophobicContact CG-CD1 4.26Å; V69-L148 HydrophobicContact CG1-CD1 4.41Å; V69-L148 HydrophobicContact CG1-CD2 4.07Å; V69-L148 HydrophobicContact CG2-CD2 3.91Å; L102-L148 HydrophobicContact CD2-CD1 4.12Å; L131-L148 HydrophobicContact CD1-CD2 3.95Å; L131-L148 HydrophobicContact CD1-CG 4.47Å; A144-L148 WeakPolarHBondContact O-CG 3.21Å; A144-L148 PolarHBondContact O-N 3.09Å; A145-L148 PolarHBondContact O-N 2.87Å; L148-A150 VanDerWaalsContact C-N 3.3Å; L148-A150 PolarHBondContact O-N 2.96Å; L148-I151 PolarHBondContact O-N 3.26Å; L148-L152 VanDerWaalsContact O-CB 3.25Å; L148-L152 WeakPolarHBondContact O-CB 3.34Å; L148-L152 PolarHBondContact O-N 2.76Å |
| 149 | L | 96.5 | Very high | 95.6 | Very high | 6 Ų | 6 | 42.1 Ų | 42.1 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.2 | -40.8 | 175 | -81.1 | 171.1 | 0 | 0 | 0 | 111.6 | V35 Q38 E39 V44 A145 H146 L152 K153 | V35-L149 HydrophobicContact CG1-CD2 3.8Å; V35-L149 HydrophobicContact CG1-CG 4.14Å; Q38-L149 HydrophobicContact CB-CD1 3.65Å; E39-L149 HydrophobicContact CB-CD1 4.19Å; E39-L149 HydrophobicContact CB-CD2 3.95Å; E39-L149 HydrophobicContact CG-CD2 4.4Å; V44-L149 HydrophobicContact CG1-CD2 4.48Å; V44-L149 HydrophobicContact CG2-CD2 4.02Å; A145-L149 WeakPolarHBondContact O-CB 3.09Å; A145-L149 WeakPolarHBondContact O-CG 3.44Å; A145-L149 PolarHBondContact O-N 2.93Å; H146-L149 PolarHBondContact O-N 3.32Å; L149-L152 HydrophobicContact CD2-CD2 4.37Å; L149-L152 PolarHBondContact O-N 2.83Å; L149-K153 WeakPolarHBondContact O-CB 3.27Å; L149-K153 VanDerWaalsContact O-CG 3.3Å; L149-K153 WeakPolarHBondContact O-CG 3.43Å; L149-K153 PolarHBondContact O-N 2.71Å |
| 150 | A | 95.4 | Very high | 95.4 | Very high | 53 Ų | 53 | 40.6 Ų | 40.6 | 44% | 0.438 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.8 | -46 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | H146 R147 L148 V154 | H146-A150 PolarHBondContact O-N 2.96Å; H146-A150 VanDerWaalsContact O-N 3.1Å; R147-A150 PolarHBondContact O-N 3.45Å; L148-A150 VanDerWaalsContact C-N 3.3Å; L148-A150 PolarHBondContact O-N 2.96Å; A150-V154 WeakPolarHBondContact O-CG2 3.47Å; A150-V154 PolarHBondContact O-N 2.95Å |
| 151 | I | 96.1 | Very high | 95.2 | Very high | 15 Ų | 15 | 49.5 Ų | 49.5 | 8% | 0.077 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.9 | -44.8 | 176.7 | -61 | 171.7 | 0 | 0 | 0 | 110.7 | L67 L131 R147 L148 K153 V154 A155 L167 | L67-I151 HydrophobicContact CD1-CG2 3.92Å; L67-I151 HydrophobicContact CD2-CB 4.28Å; L67-I151 HydrophobicContact CD2-CG2 3.89Å; L131-I151 HydrophobicContact CD1-CD1 3.84Å; L131-I151 HydrophobicContact CG-CD1 4.48Å; R147-I151 WeakPolarHBondContact O-CG1 3.38Å; R147-I151 PolarHBondContact O-N 3.37Å; L148-I151 PolarHBondContact O-N 3.26Å; I151-K153 PolarHBondContact O-N 3Å; I151-V154 PolarHBondContact O-N 3.1Å; I151-A155 WeakPolarHBondContact O-CB 3.42Å; I151-A155 PolarHBondContact O-N 3.15Å; I151-L167 HydrophobicContact CB-CD2 4.2Å; I151-L167 HydrophobicContact CG1-CD2 4.13Å; I151-L167 HydrophobicContact CG2-CD2 4.02Å |
| 152 | L | 96.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.5 | -46 | -179.5 | 174.6 | 61.5 | 0 | 0 | 0 | 111.6 | A16 I18 V44 D66 L67 L148 L149 V154 A155 A156 | A16-L152 HydrophobicContact CB-CD1 3.93Å; A16-L152 HydrophobicContact CB-CD2 3.92Å; A16-L152 HydrophobicContact CB-CG 3.74Å; I18-L152 HydrophobicContact CB-CD1 3.94Å; I18-L152 HydrophobicContact CB-CD2 3.93Å; I18-L152 HydrophobicContact CD1-CD2 4.45Å; I18-L152 HydrophobicContact CG2-CD2 4.11Å; V44-L152 HydrophobicContact CG1-CD2 3.8Å; V44-L152 HydrophobicContact CG2-CD2 4.27Å; D66-L152 HydrophobicContact CB-CD1 4.16Å; L67-L152 HydrophobicContact CB-CD1 3.76Å; L67-L152 HydrophobicContact CD2-CB 3.99Å; L67-L152 HydrophobicContact CD2-CD1 4.49Å; L148-L152 VanDerWaalsContact O-CB 3.25Å; L148-L152 WeakPolarHBondContact O-CB 3.34Å; L148-L152 PolarHBondContact O-N 2.76Å; L149-L152 HydrophobicContact CD2-CD2 4.37Å; L149-L152 PolarHBondContact O-N 2.83Å; L152-V154 VanDerWaalsContact C-N 3.31Å; L152-V154 PolarHBondContact O-N 2.84Å; L152-A155 PolarHBondContact O-N 3.34Å; L152-A156 VanDerWaalsContact O-CB 3.27Å; L152-A156 WeakPolarHBondContact O-CB 3.44Å; L152-A156 PolarHBondContact O-N 3.48Å |
| 153 | K | 95.9 | Very high | 94.9 | Very high | 52 Ų | 52 | 51.4 Ų | 51.4 | 23% | 0.226 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.2 | -42 | 179.1 | -75 | 177.5 | -179.9 | -175.6 | 0 | 111.8 | E39 L149 I151 G157 L158 V159 | E39-K153 VanDerWaalsContact CD-CE 3.47Å; E39-K153 VanDerWaalsContact CD-NZ 3.33Å; E39-K153 IonicContact OE1-NZ 2.73Å; E39-K153 PolarHBondContact OE1-NZ 2.72Å; E39-K153 WeakPolarHBondContact OE2-CE 3.48Å; E39-K153 IonicContact OE2-NZ 3.31Å; E39-K153 PolarHBondContact OE2-NZ 3.11Å; L149-K153 WeakPolarHBondContact O-CB 3.27Å; L149-K153 VanDerWaalsContact O-CG 3.3Å; L149-K153 WeakPolarHBondContact O-CG 3.43Å; L149-K153 PolarHBondContact O-N 2.71Å; I151-K153 PolarHBondContact O-N 3Å; K153-G157 PolarHBondContact O-N 3.14Å; K153-L158 HydrophobicContact CB-CB 4.42Å; K153-L158 WeakPolarHBondContact O-CB 3.43Å; K153-L158 PolarHBondContact O-N 3.34Å; K153-V159 HydrophobicContact CB-CG2 3.82Å |
| 154 | V | 96.2 | Very high | 94.7 | Very high | 16 Ų | 16 | 49 Ų | 49 | 10% | 0.097 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67 | -44.8 | 175.7 | 176.8 | 0 | 0 | 0 | 0 | 110.8 | A150 I151 L152 A156 G157 V159 A162 T163 L167 | A150-V154 WeakPolarHBondContact O-CG2 3.47Å; A150-V154 PolarHBondContact O-N 2.95Å; I151-V154 PolarHBondContact O-N 3.1Å; L152-V154 VanDerWaalsContact C-N 3.31Å; L152-V154 PolarHBondContact O-N 2.84Å; V154-A156 VanDerWaalsContact C-N 3.3Å; V154-A156 PolarHBondContact O-N 3Å; V154-G157 PolarHBondContact O-N 3.48Å; V154-G157 VanDerWaalsContact O-N 3.08Å; V154-V159 HydrophobicContact CG2-CB 4.07Å; V154-V159 HydrophobicContact CG2-CG2 3.78Å; V154-A162 HydrophobicContact CG1-CB 4.11Å; V154-A162 HydrophobicContact CG2-CB 4.2Å; V154-T163 VanDerWaalsContact CG1-C 3.41Å; V154-T163 WeakPolarHBondContact CG1-O 3.45Å; V154-L167 HydrophobicContact CB-CD2 3.84Å; V154-L167 HydrophobicContact CG1-CB 3.93Å; V154-L167 HydrophobicContact CG1-CD2 3.93Å; V154-L167 HydrophobicContact CG2-CD2 4.17Å |
| 155 | A | 94.9 | Very high | 94.4 | Very high | 7 Ų | 7 | 53.5 Ų | 53.5 | 6% | 0.058 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.6 | -33.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D66 L67 K98 I151 L152 G157 | D66-A155 WeakPolarHBondContact O-CB 3.16Å; L67-A155 HydrophobicContact CB-CB 4.36Å; K98-A155 PolarHBondContact NZ-O 2.88Å; I151-A155 WeakPolarHBondContact O-CB 3.42Å; I151-A155 PolarHBondContact O-N 3.15Å; L152-A155 PolarHBondContact O-N 3.34Å; A155-G157 VanDerWaalsContact C-N 3.3Å |
| 156 | A | 94.9 | Very high | 94.1 | Very high | 13 Ų | 13 | 59.9 Ų | 59.9 | 11% | 0.107 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -77.5 | -12.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A16 D66 L152 V154 L158 | A16-A156 HydrophobicContact CB-CB 3.68Å; D66-A156 HydrophobicContact CB-CB 3.95Å; L152-A156 VanDerWaalsContact O-CB 3.27Å; L152-A156 WeakPolarHBondContact O-CB 3.44Å; L152-A156 PolarHBondContact O-N 3.48Å; V154-A156 VanDerWaalsContact C-N 3.3Å; V154-A156 PolarHBondContact O-N 3Å; A156-L158 HydrophobicContact CB-CD1 3.99Å; A156-L158 HydrophobicContact CB-CG 4Å |
| 157 | G | 94.1 | Very high | 93.8 | Very high | 59 Ų | 59 | 55.4 Ų | 55.4 | 61% | 0.608 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | 24.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | K153 V154 A155 | K153-G157 PolarHBondContact O-N 3.14Å; V154-G157 PolarHBondContact O-N 3.48Å; V154-G157 VanDerWaalsContact O-N 3.08Å; A155-G157 VanDerWaalsContact C-N 3.3Å |
| 158 | L | 94.6 | Very high | 93.5 | Very high | 54 Ų | 54 | 49.5 Ų | 49.5 | 28% | 0.283 | 29% | 0.291 | S | S | . | . | trans | -90.8 | -7.8 | -178.5 | -61.3 | 172.2 | 0 | 0 | 0 | 113.2 | A16 V42 K153 A156 | A16-L158 HydrophobicContact CB-CD1 3.96Å; V42-L158 HydrophobicContact CB-CD1 4.22Å; V42-L158 HydrophobicContact CG1-CD1 3.31Å; V42-L158 HydrophobicContact CG2-CD1 3.83Å; K153-L158 HydrophobicContact CB-CB 4.42Å; K153-L158 WeakPolarHBondContact O-CB 3.43Å; K153-L158 PolarHBondContact O-N 3.34Å; A156-L158 HydrophobicContact CB-CD1 3.99Å; A156-L158 HydrophobicContact CB-CG 4Å | ||
| 159 | V | 94.3 | Very high | 93.1 | Very high | 54 Ų | 54 | 53.5 Ų | 53.5 | 33% | 0.327 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -103.6 | 114.7 | 176.5 | -176.4 | 0 | 0 | 0 | 0 | 108.6 | K153 V154 M161 A162 | K153-V159 HydrophobicContact CB-CG2 3.82Å; V154-V159 HydrophobicContact CG2-CB 4.07Å; V154-V159 HydrophobicContact CG2-CG2 3.78Å; V159-M161 PolarHBondContact O-N 3.43Å; V159-A162 HydrophobicContact CB-CB 4.08Å; V159-A162 HydrophobicContact CG1-CB 3.75Å; V159-A162 PolarHBondContact O-N 3.07Å |
| 160 | P | 91.1 | Very high | 92.8 | Very high | 115 Ų | 115 | 58.5 Ų | 58.5 | 75% | 0.747 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 140.6 | 176.7 | -23.9 | 33.4 | 0 | 0 | 0 | 111.4 | A162 | P160-A162 PolarHBondContact O-N 3.08Š|
| 161 | M | 89.7 | Confident | 92.5 | Very high | 197 Ų | 197 | 58.4 Ų | 58.4 | 97% | 0.97 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 2.6 | 177.5 | -52.4 | -60.4 | -157.4 | 0 | 0 | 116.3 | V159 | V159-M161 PolarHBondContact O-N 3.43Š|
| 162 | A | 92.8 | Very high | 92.1 | Very high | 24 Ų | 24 | 64 Ų | 64 | 20% | 0.198 | 36% | 0.356 | C | S | . | . | trans | -114.3 | 129.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | V154 V159 P160 | V154-A162 HydrophobicContact CG1-CB 4.11Å; V154-A162 HydrophobicContact CG2-CB 4.2Å; V159-A162 HydrophobicContact CB-CB 4.08Å; V159-A162 HydrophobicContact CG1-CB 3.75Å; V159-A162 PolarHBondContact O-N 3.07Å; P160-A162 PolarHBondContact O-N 3.08Å | ||
| 163 | T | 92.2 | Very high | 91.6 | Very high | 82 Ų | 82 | 65 Ų | 65 | 50% | 0.503 | 36% | 0.362 | S | S | . | . | trans | -117 | 158.1 | 177.1 | 65.5 | 0 | 0 | 0 | 0 | 110.7 | V154 L165 Y166 L167 | V154-T163 VanDerWaalsContact CG1-C 3.41Å; V154-T163 WeakPolarHBondContact CG1-O 3.45Å; T163-L165 PolarHBondContact O-N 3.03Å; T163-Y166 PolarHBondContact O-N 3.24Å; T163-Y166 WeakPolarHBondContact OG1-CB 3.46Å; T163-Y166 PolarHBondContact OG1-N 2.79Å; T163-L167 PolarHBondContact O-N 2.97Å | ||
| 164 | G | 90.8 | Very high | 91.1 | Very high | 12 Ų | 12 | 67.2 Ų | 67.2 | 12% | 0.124 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -54.6 | -41.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G97 L167 S168 | G97-G164 WeakPolarHBondContact CA-O 3.45Å; G164-L167 PolarHBondContact O-N 3.33Å; G164-S168 PolarHBondContact O-N 3.43Å; G164-S168 PolarHBondContact O-OG 3.45Å |
| 165 | L | 91 | Very high | 90.2 | Very high | 99 Ų | 99 | 69.1 Ų | 69.1 | 52% | 0.518 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65 | -39.8 | 178.3 | -175 | 67.4 | 0 | 0 | 0 | 112.8 | Q96 T163 S168 T169 | Q96-L165 HydrophobicContact CB-CD1 4.26Å; T163-L165 PolarHBondContact O-N 3.03Å; L165-S168 PolarHBondContact O-OG 3Å; L165-T169 PolarHBondContact O-N 3.41Å; L165-T169 PolarHBondContact O-OG1 3.15Å |
| 166 | Y | 91.6 | Very high | 88.7 | Confident | 135 Ų | 135 | 72.5 Ų | 72.5 | 53% | 0.529 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.9 | -47 | 174.5 | 176.8 | -108.4 | 0 | 0 | 0 | 110.7 | T163 S168 T169 L170 | T163-Y166 PolarHBondContact O-N 3.24Å; T163-Y166 WeakPolarHBondContact OG1-CB 3.46Å; T163-Y166 PolarHBondContact OG1-N 2.79Å; Y166-S168 PolarHBondContact O-N 3.2Å; Y166-T169 WeakPolarHBondContact O-CB 3.3Å; Y166-T169 PolarHBondContact O-N 2.64Å; Y166-L170 HydrophobicContact CD1-CD1 4.13Å; Y166-L170 HydrophobicContact CE1-CD1 3.52Å; Y166-L170 HydrophobicContact CE1-CG 4.48Å; Y166-L170 HydrophobicContact CE2-CD1 4.4Å; Y166-L170 PolarHBondContact O-N 3.35Å |
| 167 | L | 89.9 | Confident | 86.9 | Confident | 34 Ų | 34 | 75.7 Ų | 75.7 | 18% | 0.178 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 179.3 | -177.3 | 64.2 | 0 | 0 | 0 | 112.4 | I151 V154 T163 G164 T169 L170 T171 | I151-L167 HydrophobicContact CB-CD2 4.2Å; I151-L167 HydrophobicContact CG1-CD2 4.13Å; I151-L167 HydrophobicContact CG2-CD2 4.02Å; V154-L167 HydrophobicContact CB-CD2 3.84Å; V154-L167 HydrophobicContact CG1-CB 3.93Å; V154-L167 HydrophobicContact CG1-CD2 3.93Å; V154-L167 HydrophobicContact CG2-CD2 4.17Å; T163-L167 PolarHBondContact O-N 2.97Å; G164-L167 PolarHBondContact O-N 3.33Å; L167-T169 PolarHBondContact O-N 3.33Å; L167-L170 PolarHBondContact O-N 3.47Å; L167-L170 VanDerWaalsContact O-N 3.13Å; L167-T171 HydrophobicContact CD1-CG2 3.77Å; L167-T171 HydrophobicContact CG-CG2 4.33Å; L167-T171 WeakPolarHBondContact O-CB 2.97Å; L167-T171 PolarHBondContact O-N 2.8Å; L167-T171 PolarHBondContact O-OG1 3.38Å |
| 168 | S | 88.2 | Confident | 84.9 | Confident | 10 Ų | 10 | 79.3 Ų | 79.3 | 7% | 0.07 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -61.9 | -35.9 | 178.2 | 67 | 0 | 0 | 0 | 0 | 111.6 | G164 L165 Y166 L170 T171 R172 | G164-S168 PolarHBondContact O-N 3.43Å; G164-S168 PolarHBondContact O-OG 3.45Å; L165-S168 PolarHBondContact O-OG 3Å; Y166-S168 PolarHBondContact O-N 3.2Å; S168-L170 VanDerWaalsContact C-N 3.31Å; S168-L170 PolarHBondContact O-N 3.33Å; S168-T171 PolarHBondContact O-N 3.22Å; S168-R172 WeakPolarHBondContact O-CA 3.47Å; S168-R172 VanDerWaalsContact O-CB 3.24Å; S168-R172 WeakPolarHBondContact O-CB 3.5Å; S168-R172 PolarHBondContact O-N 3.12Å |
| 169 | T | 89.2 | Confident | 82.8 | Confident | 85 Ų | 85 | 83 Ų | 83 | 52% | 0.521 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 175.6 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | L165 Y166 L167 | L165-T169 PolarHBondContact O-N 3.41Å; L165-T169 PolarHBondContact O-OG1 3.15Å; Y166-T169 WeakPolarHBondContact O-CB 3.3Å; Y166-T169 PolarHBondContact O-N 2.64Å; L167-T169 PolarHBondContact O-N 3.33Å |
| 170 | L | 89.9 | Confident | 80.4 | Confident | 111 Ų | 111 | 86.7 Ų | 86.7 | 58% | 0.581 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -75.7 | -30.3 | 179.4 | -67 | 177.5 | 0 | 0 | 0 | 113.7 | Y166 L167 S168 | Y166-L170 HydrophobicContact CD1-CD1 4.13Å; Y166-L170 HydrophobicContact CE1-CD1 3.52Å; Y166-L170 HydrophobicContact CE1-CG 4.48Å; Y166-L170 HydrophobicContact CE2-CD1 4.4Å; Y166-L170 PolarHBondContact O-N 3.35Å; L167-L170 PolarHBondContact O-N 3.47Å; L167-L170 VanDerWaalsContact O-N 3.13Å; S168-L170 VanDerWaalsContact C-N 3.31Å; S168-L170 PolarHBondContact O-N 3.33Å |
| 171 | T | 89.1 | Confident | 78.2 | Confident | 52 Ų | 52 | 89.3 Ų | 89.3 | 32% | 0.319 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -113.2 | 1 | -168.6 | 56.9 | 0 | 0 | 0 | 0 | 113.6 | P129 L167 S168 C173 | P129-T171 WeakPolarHBondContact CA-O 3.04Å; P129-T171 VanDerWaalsContact CG-OG1 3.3Å; P129-T171 WeakPolarHBondContact CG-OG1 3.48Å; L167-T171 HydrophobicContact CD1-CG2 3.77Å; L167-T171 HydrophobicContact CG-CG2 4.33Å; L167-T171 WeakPolarHBondContact O-CB 2.97Å; L167-T171 PolarHBondContact O-N 2.8Å; L167-T171 PolarHBondContact O-OG1 3.38Å; S168-T171 PolarHBondContact O-N 3.22Å; T171-C173 PolarHBondContact O-N 3.33Å |
| 172 | R | 87.2 | Confident | 75.9 | Confident | 132 Ų | 132 | 88 Ų | 88 | 50% | 0.498 | 47% | 0.47 | S | S | . | . | B | Isolated β-bridge | trans | -54.3 | 136.6 | 178.7 | 65 | -176.3 | -172.5 | 176.6 | 1.6 | 110.7 | S168 T174 | S168-R172 WeakPolarHBondContact O-CA 3.47Å; S168-R172 VanDerWaalsContact O-CB 3.24Å; S168-R172 WeakPolarHBondContact O-CB 3.5Å; S168-R172 PolarHBondContact O-N 3.12Å; R172-T174 PolarHBondContact O-N 3.21Å |
| 173 | C | 87.2 | Confident | 73.5 | Confident | 21 Ų | 21 | 93.1 Ų | 93.1 | 14% | 0.142 | 50% | 0.495 | C | S | . | . | trans | -66.5 | 135 | 173.6 | -157.2 | 0 | 0 | 0 | 0 | 110.4 | R120 A123 A124 C128 L130 T171 | R120-C173 WeakPolarHBondContact CG-SG 3.13Å; A123-C173 HydrophobicContact CB-CB 3.81Å; A124-C173 WeakPolarHBondContact CA-O 3.19Å; A124-C173 HydrophobicContact CB-CB 4.37Å; A124-C173 WeakPolarHBondContact CB-O 2.92Å; C128-C173 WeakPolarHBondContact O-CB 3.18Å; C128-C173 PolarHBondContact O-N 2.94Å; C128-C173 VanDerWaalsContact O-N 3.08Å; L130-C173 HydrophobicContact CB-CB 4.21Å; T171-C173 PolarHBondContact O-N 3.33Å | ||
| 174 | T | 83.4 | Confident | 71.3 | Confident | 100 Ų | 100 | 99 Ų | 99 | 61% | 0.613 | 51% | 0.514 | S | S | * | . | trans | -111.1 | 137.5 | 172.2 | 54.3 | 0 | 0 | 0 | 0 | 109 | R172 | R172-T174 PolarHBondContact O-N 3.21Š| ||
| 175 | V | 77.5 | Confident | 68.9 | Low | 56 Ų | 56 | 111.4 Ų | 111.4 | 34% | 0.339 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -90.1 | 128.3 | 168.1 | -169.4 | 0 | 0 | 0 | 0 | 106.2 | R120 K121 A124 S177 | R120-V175 HydrophobicContact CG-CG2 4.46Å; K121-V175 HydrophobicContact CG-CG1 4.29Å; K121-V175 HydrophobicContact CG-CG2 4.13Å; A124-V175 HydrophobicContact CB-CG2 3.51Å; V175-S177 PolarHBondContact O-N 3.02Å |
| 176 | P | 64.9 | Low | 67.8 | Low | 78 Ų | 78 | 112.1 Ų | 112.1 | 51% | 0.506 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -55.4 | 131.2 | 169.9 | 19.2 | -26.1 | 0 | 0 | 0 | 108.3 | ||
| 177 | S | 56.2 | Low | 66.5 | Low | 80 Ų | 80 | 110.8 Ų | 110.8 | 56% | 0.559 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 140.1 | 175.1 | -51.1 | 0 | 0 | 0 | 0 | 107.6 | V175 I179 D180 | V175-S177 PolarHBondContact O-N 3.02Å; S177-I179 PolarHBondContact O-N 2.69Å; S177-D180 PolarHBondContact O-N 3.16Å |
| 178 | D | 52 | Low | 65.2 | Low | 135 Ų | 135 | 115.1 Ų | 115.1 | 72% | 0.722 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -59.3 | 3.6 | 179.5 | -64 | -43.8 | 0 | 0 | 0 | 114.4 | D180 Q181 | D178-D180 VanDerWaalsContact C-N 3.26Å; D178-D180 PolarHBondContact O-N 3.47Å; D178-Q181 PolarHBondContact O-N 2.53Å |
| 179 | I | 49.9 | Very low | 63.9 | Low | 130 Ų | 130 | 121.3 Ų | 121.3 | 67% | 0.667 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -68.1 | -22.8 | 179.4 | -56 | 176.6 | 0 | 0 | 0 | 111.8 | S177 | S177-I179 PolarHBondContact O-N 2.69Š|
| 180 | D | 44.4 | Very low | 62.3 | Low | 132 Ų | 132 | 123.6 Ų | 123.6 | 71% | 0.706 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -88.6 | -4.2 | -178.6 | -71.6 | -31.8 | 0 | 0 | 0 | 114.6 | S177 D178 | S177-D180 PolarHBondContact O-N 3.16Å; D178-D180 VanDerWaalsContact C-N 3.26Å; D178-D180 PolarHBondContact O-N 3.47Å |
| 181 | Q | 45.3 | Very low | 60.4 | Low | 170 Ų | 170 | 124.4 Ų | 124.4 | 79% | 0.794 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -93.1 | -0.9 | -179.1 | -76.5 | -172.4 | -30.5 | 0 | 0 | 114.7 | D178 | D178-Q181 PolarHBondContact O-N 2.53Š|
| 182 | Q | 42 | Very low | 58.4 | Low | 169 Ų | 169 | 129.6 Ų | 129.6 | 79% | 0.79 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -99.8 | 3.6 | -176.7 | -82.1 | -170.7 | -27.5 | 0 | 0 | 116.2 | ||
| 183 | N | 41.2 | Very low | 56.2 | Low | 132 Ų | 132 | 129.4 Ų | 129.4 | 71% | 0.706 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -119.9 | 36.6 | -170.7 | -78.4 | -23 | 0 | 0 | 0 | 116 | ||
| 184 | F | 47.3 | Very low | 53.6 | Low | 206 Ų | 206 | 138.4 Ų | 138.4 | 90% | 0.904 | 72% | 0.715 | S | S | * | * | trans | -143.8 | 71.9 | 163.7 | -69.1 | -78.9 | 0 | 0 | 0 | 110.7 | ||||
| 185 | E | 39 | Very low | 50.9 | Low | 273 Ų | 273 | 141.9 Ų | 141.9 | 100% | 1.276 | 72% | 0.724 | S | S | * | * | trans | -109.3 | 0 | 150.5 | -77.9 | -168.5 | 131.7 | 0 | 0 | 109.2 |
Retrieved 185 of 185 residues in 176.5 ms
(Link to these results)