| 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 | 70.6 | Confident | 88.1 | Confident | 137 Ų | 137 | 90.5 Ų | 90.5 | 68% | 0.675 | 50% | 0.497 | S | S | * | . | 0 | 132 | 0 | -73 | -177.6 | 75.9 | 0 | 0 | 110.2 | Q5 R6 L9 | M1-Q5 HydrophobicContact CB-CB 4.31Å; M1-Q5 VanDerWaalsContact CE-C 3.45Å; M1-Q5 HydrophobicContact CE-CB 3.72Å; M1-Q5 WeakPolarHBondContact CE-O 3.18Å; M1-R6 HydrophobicContact CB-CG 4.22Å; M1-R6 HydrophobicContact CE-CG 4.06Å; M1-R6 HydrophobicContact SD-CG 4.45Å; M1-L9 HydrophobicContact CE-CB 4.5Å; M1-L9 HydrophobicContact CE-CD1 3.5Å; M1-L9 VanDerWaalsContact CE-CD1 3.5Å; M1-L9 HydrophobicContact CE-CG 3.91Å; M1-L9 HydrophobicContact SD-CD1 4.3Å | |||
| 2 | S | 87.6 | Confident | 88.3 | Confident | 66 Ų | 66 | 90.8 Ų | 90.8 | 46% | 0.462 | 50% | 0.496 | S | S | . | . | trans | -73.4 | 168.3 | 169 | 68.1 | 0 | 0 | 0 | 0 | 112 | G4 Q5 R6 | S2-G4 VanDerWaalsContact C-N 3.34Å; S2-G4 PolarHBondContact O-N 3.28Å; S2-Q5 PolarHBondContact O-N 3Å; S2-Q5 WeakPolarHBondContact OG-CG 3.31Å; S2-Q5 PolarHBondContact OG-N 3.02Å; S2-R6 PolarHBondContact O-N 3.44Å; S2-R6 VanDerWaalsContact O-N 3.12Å | ||
| 3 | L | 88.2 | Confident | 88.6 | Confident | 130 Ų | 130 | 93.7 Ų | 93.7 | 68% | 0.681 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.5 | -45.4 | 174.8 | -177.6 | 63 | 0 | 0 | 0 | 111.5 | Q5 R6 L7 | L3-Q5 VanDerWaalsContact C-N 3.34Å; L3-Q5 PolarHBondContact O-N 3.39Å; L3-R6 WeakPolarHBondContact O-CB 3.33Å; L3-R6 PolarHBondContact O-N 2.91Å; L3-L7 HydrophobicContact CG-CD1 4.12Å; L3-L7 WeakPolarHBondContact O-CG 3.1Å; L3-L7 PolarHBondContact O-N 2.96Å |
| 4 | G | 89.7 | Confident | 88.9 | Confident | 47 Ų | 47 | 89.7 Ų | 89.7 | 49% | 0.485 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.5 | -41 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S2 R6 L7 A8 | S2-G4 VanDerWaalsContact C-N 3.34Å; S2-G4 PolarHBondContact O-N 3.28Å; G4-R6 PolarHBondContact O-N 2.96Å; G4-L7 PolarHBondContact O-N 3.37Å; G4-A8 WeakPolarHBondContact O-CB 3.28Å; G4-A8 PolarHBondContact O-N 2.99Å |
| 5 | Q | 87.9 | Confident | 89.1 | Confident | 106 Ų | 106 | 88 Ų | 88 | 50% | 0.495 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.4 | -37.8 | 174.1 | -72.5 | 172.4 | -26.9 | 0 | 0 | 112.4 | M1 S2 L3 L9 | M1-Q5 HydrophobicContact CB-CB 4.31Å; M1-Q5 VanDerWaalsContact CE-C 3.45Å; M1-Q5 HydrophobicContact CE-CB 3.72Å; M1-Q5 WeakPolarHBondContact CE-O 3.18Å; S2-Q5 PolarHBondContact O-N 3Å; S2-Q5 WeakPolarHBondContact OG-CG 3.31Å; S2-Q5 PolarHBondContact OG-N 3.02Å; L3-Q5 VanDerWaalsContact C-N 3.34Å; L3-Q5 PolarHBondContact O-N 3.39Å; Q5-L9 PolarHBondContact O-N 2.9Å |
| 6 | R | 90.4 | Very high | 89.3 | Confident | 162 Ų | 162 | 86.2 Ų | 86.2 | 61% | 0.611 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -66.5 | -40.3 | 175.9 | -67.6 | -178.3 | -175.5 | -158.7 | 1.3 | 111.5 | M1 S2 L3 G4 L10 | M1-R6 HydrophobicContact CB-CG 4.22Å; M1-R6 HydrophobicContact CE-CG 4.06Å; M1-R6 HydrophobicContact SD-CG 4.45Å; S2-R6 PolarHBondContact O-N 3.44Å; S2-R6 VanDerWaalsContact O-N 3.12Å; L3-R6 WeakPolarHBondContact O-CB 3.33Å; L3-R6 PolarHBondContact O-N 2.91Å; G4-R6 PolarHBondContact O-N 2.96Å; R6-L10 WeakPolarHBondContact O-CB 3.39Å; R6-L10 PolarHBondContact O-N 3.36Å |
| 7 | L | 89.9 | Confident | 89.5 | Confident | 99 Ų | 99 | 83.4 Ų | 83.4 | 52% | 0.518 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -67.2 | -42.1 | 176.2 | -68.7 | 171.8 | 0 | 0 | 0 | 111.7 | L3 G4 L10 A11 | L3-L7 HydrophobicContact CG-CD1 4.12Å; L3-L7 WeakPolarHBondContact O-CG 3.1Å; L3-L7 PolarHBondContact O-N 2.96Å; G4-L7 PolarHBondContact O-N 3.37Å; L7-L10 WeakPolarHBondContact O-CB 3.3Å; L7-L10 PolarHBondContact O-N 2.69Å; L7-L10 VanDerWaalsContact O-N 3.11Å; L7-A11 PolarHBondContact O-N 2.92Å |
| 8 | A | 90 | Very high | 89.7 | Confident | 51 Ų | 51 | 84.9 Ų | 84.9 | 42% | 0.421 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61 | -47.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G4 L10 A11 I12 | G4-A8 WeakPolarHBondContact O-CB 3.28Å; G4-A8 PolarHBondContact O-N 2.99Å; A8-L10 PolarHBondContact O-N 3.16Å; A8-A11 PolarHBondContact O-N 2.67Å; A8-I12 WeakPolarHBondContact O-CG1 3.37Å; A8-I12 PolarHBondContact O-N 3.02Å |
| 9 | L | 91.5 | Very high | 90 | Very high | 88 Ų | 88 | 87 Ų | 87 | 46% | 0.461 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.6 | -22.1 | 174.1 | -68.4 | -164.1 | 0 | 0 | 0 | 113.2 | M1 Q5 I12 R13 | M1-L9 HydrophobicContact CE-CB 4.5Å; M1-L9 HydrophobicContact CE-CD1 3.5Å; M1-L9 VanDerWaalsContact CE-CD1 3.5Å; M1-L9 HydrophobicContact CE-CG 3.91Å; M1-L9 HydrophobicContact SD-CD1 4.3Å; Q5-L9 PolarHBondContact O-N 2.9Å; L9-I12 HydrophobicContact CD2-CD1 4.36Å; L9-R13 WeakPolarHBondContact O-CG 3.29Å; L9-R13 PolarHBondContact O-NE 3.27Å |
| 10 | L | 92.1 | Very high | 90.2 | Very high | 79 Ų | 79 | 82.7 Ų | 82.7 | 41% | 0.414 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -76.4 | -46.1 | 171.9 | -178 | 60.5 | 0 | 0 | 0 | 111 | R6 L7 A8 I12 R13 L14 | R6-L10 WeakPolarHBondContact O-CB 3.39Å; R6-L10 PolarHBondContact O-N 3.36Å; L7-L10 WeakPolarHBondContact O-CB 3.3Å; L7-L10 PolarHBondContact O-N 2.69Å; L7-L10 VanDerWaalsContact O-N 3.11Å; A8-L10 PolarHBondContact O-N 3.16Å; L10-I12 PolarHBondContact O-N 3.24Å; L10-R13 PolarHBondContact O-N 3.05Å; L10-L14 HydrophobicContact CD1-CD1 4.02Å; L10-L14 HydrophobicContact CD1-CG 4.17Å; L10-L14 HydrophobicContact CG-CD1 3.82Å; L10-L14 HydrophobicContact CG-CG 4.39Å; L10-L14 VanDerWaalsContact O-CG 3.32Å; L10-L14 WeakPolarHBondContact O-CG 3.45Å; L10-L14 PolarHBondContact O-N 3.11Å |
| 11 | A | 91.2 | Very high | 90.4 | Very high | 30 Ų | 30 | 78.9 Ų | 78.9 | 25% | 0.248 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -57.3 | -49 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | L7 A8 R13 L14 Q15 L247 | L7-A11 PolarHBondContact O-N 2.92Å; A8-A11 PolarHBondContact O-N 2.67Å; A11-R13 VanDerWaalsContact C-N 3.32Å; A11-R13 PolarHBondContact O-N 3.31Å; A11-L14 PolarHBondContact O-N 3.26Å; A11-L14 VanDerWaalsContact O-N 3.09Å; A11-Q15 WeakPolarHBondContact O-CB 3.35Å; A11-Q15 PolarHBondContact O-N 2.92Å; A11-L247 HydrophobicContact CB-CD1 4.22Å; A11-L247 HydrophobicContact CB-CD2 4.03Å |
| 12 | I | 90.7 | Very high | 91.5 | Very high | 95 Ų | 95 | 75.4 Ų | 75.4 | 49% | 0.487 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -54.9 | -47.2 | 176 | -66.9 | 164.2 | 0 | 0 | 0 | 111 | A8 L9 L10 L14 Q15 E16 | A8-I12 WeakPolarHBondContact O-CG1 3.37Å; A8-I12 PolarHBondContact O-N 3.02Å; L9-I12 HydrophobicContact CD2-CD1 4.36Å; L10-I12 PolarHBondContact O-N 3.24Å; I12-L14 VanDerWaalsContact C-N 3.32Å; I12-L14 PolarHBondContact O-N 2.97Å; I12-Q15 PolarHBondContact O-N 3.03Å; I12-E16 PolarHBondContact O-N 2.71Å; I12-E16 VanDerWaalsContact O-N 3.11Å |
| 13 | R | 92.1 | Very high | 91.9 | Very high | 128 Ų | 128 | 74.3 Ų | 74.3 | 48% | 0.483 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -69.9 | -23 | 179.9 | -73.6 | -179.1 | -67.3 | 164.3 | 4 | 114.3 | L9 L10 A11 E16 R19 | L9-R13 WeakPolarHBondContact O-CG 3.29Å; L9-R13 PolarHBondContact O-NE 3.27Å; L10-R13 PolarHBondContact O-N 3.05Å; A11-R13 VanDerWaalsContact C-N 3.32Å; A11-R13 PolarHBondContact O-N 3.31Å; R13-E16 WeakPolarHBondContact CG-OE1 3.28Å; R13-R19 WeakPolarHBondContact O-CG 3.05Å |
| 14 | L | 93.2 | Very high | 92.2 | Very high | 38 Ų | 38 | 68.2 Ų | 68.2 | 20% | 0.199 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -85.9 | -20.5 | 174 | -68.8 | 171 | 0 | 0 | 0 | 112.6 | L10 A11 I12 I246 L247 I250 | L10-L14 HydrophobicContact CD1-CD1 4.02Å; L10-L14 HydrophobicContact CD1-CG 4.17Å; L10-L14 HydrophobicContact CG-CD1 3.82Å; L10-L14 HydrophobicContact CG-CG 4.39Å; L10-L14 VanDerWaalsContact O-CG 3.32Å; L10-L14 WeakPolarHBondContact O-CG 3.45Å; L10-L14 PolarHBondContact O-N 3.11Å; A11-L14 PolarHBondContact O-N 3.26Å; A11-L14 VanDerWaalsContact O-N 3.09Å; I12-L14 VanDerWaalsContact C-N 3.32Å; I12-L14 PolarHBondContact O-N 2.97Å; L14-I246 HydrophobicContact CB-CB 4.42Å; L14-I246 HydrophobicContact CD2-CB 4.09Å; L14-I246 HydrophobicContact CD2-CG2 3.87Å; L14-I246 PolarHBondContact O-N 3.01Å; L14-I246 VanDerWaalsContact O-N 3.15Å; L14-L247 HydrophobicContact CB-CB 3.89Å; L14-L247 PolarHBondContact O-N 3.31Å; L14-I250 HydrophobicContact CD1-CD1 4Å; L14-I250 HydrophobicContact CD2-CD1 4.34Å |
| 15 | Q | 91.7 | Very high | 92.3 | Very high | 64 Ų | 64 | 72.6 Ų | 72.6 | 30% | 0.299 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -82.7 | -29.1 | 174.7 | -173.2 | -177.6 | 1.6 | 0 | 0 | 112.7 | A11 I12 P17 W172 L247 | A11-Q15 WeakPolarHBondContact O-CB 3.35Å; A11-Q15 PolarHBondContact O-N 2.92Å; I12-Q15 PolarHBondContact O-N 3.03Å; Q15-P17 VanDerWaalsContact O-CD 3.29Å; Q15-P17 WeakPolarHBondContact O-CD 3.06Å; Q15-P17 VanDerWaalsContact O-N 3.11Å; Q15-W172 VanDerWaalsContact NE2-NE1 3.16Å; Q15-L247 HydrophobicContact CB-CD2 4.34Å |
| 16 | E | 92.1 | Very high | 92.7 | Very high | 59 Ų | 59 | 74.4 Ų | 74.4 | 28% | 0.276 | 36% | 0.363 | S | S | . | . | trans | -38.5 | 111 | 178.9 | -84 | 171.8 | -163.9 | 0 | 0 | 113.4 | I12 R13 Q18 R19 | I12-E16 PolarHBondContact O-N 2.71Å; I12-E16 VanDerWaalsContact O-N 3.11Å; R13-E16 WeakPolarHBondContact CG-OE1 3.28Å; E16-Q18 PolarHBondContact O-N 3.03Å; E16-Q18 VanDerWaalsContact O-N 3.08Å; E16-R19 HydrophobicContact CB-CG 3.74Å; E16-R19 WeakPolarHBondContact O-CB 3.36Å; E16-R19 PolarHBondContact O-N 2.81Å; E16-R19 IonicContact OE2-CZ 3.86Å; E16-R19 VanDerWaalsContact OE2-CZ 3.26Å; E16-R19 IonicContact OE2-NE 3.7Å; E16-R19 PolarHBondContact OE2-NE 2.69Å; E16-R19 IonicContact OE2-NH2 2.66Å; E16-R19 PolarHBondContact OE2-NH2 3.26Å | ||
| 17 | P | 92.7 | Very high | 92.8 | Very high | 39 Ų | 39 | 67.1 Ų | 67.1 | 25% | 0.253 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.1 | -26.8 | 176.9 | -27.2 | 36.1 | 0 | 0 | 0 | 113.1 | Q15 R19 V20 A21 A176 P179 V180 | Q15-P17 VanDerWaalsContact O-CD 3.29Å; Q15-P17 WeakPolarHBondContact O-CD 3.06Å; Q15-P17 VanDerWaalsContact O-N 3.11Å; P17-R19 PolarHBondContact O-N 3.27Å; P17-V20 PolarHBondContact O-N 3.17Å; P17-A21 WeakPolarHBondContact O-CB 3.31Å; P17-A21 PolarHBondContact O-N 3.42Å; P17-A176 HydrophobicContact CG-CB 4.31Å; P17-P179 HydrophobicContact CB-CG 4.27Å; P17-V180 HydrophobicContact CB-CG2 3.75Å; P17-V180 WeakPolarHBondContact O-CG2 3.5Å |
| 18 | Q | 93.6 | Very high | 92.9 | Very high | 110 Ų | 110 | 62.8 Ų | 62.8 | 51% | 0.514 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.3 | -28.5 | 172.2 | -70.2 | -67.6 | -7.7 | 0 | 0 | 113.6 | E16 S22 | E16-Q18 PolarHBondContact O-N 3.03Å; E16-Q18 VanDerWaalsContact O-N 3.08Å; Q18-S22 WeakPolarHBondContact O-CB 3.03Å; Q18-S22 PolarHBondContact O-N 3.02Å |
| 19 | R | 93.9 | Very high | 92.9 | Very high | 125 Ų | 125 | 60.3 Ų | 60.3 | 47% | 0.472 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -71 | -44.9 | 175.2 | -59.6 | -68.3 | 168 | -179.9 | -7.4 | 111.3 | R13 E16 P17 S22 F23 I246 | R13-R19 WeakPolarHBondContact O-CG 3.05Å; E16-R19 HydrophobicContact CB-CG 3.74Å; E16-R19 WeakPolarHBondContact O-CB 3.36Å; E16-R19 PolarHBondContact O-N 2.81Å; E16-R19 IonicContact OE2-CZ 3.86Å; E16-R19 VanDerWaalsContact OE2-CZ 3.26Å; E16-R19 IonicContact OE2-NE 3.7Å; E16-R19 PolarHBondContact OE2-NE 2.69Å; E16-R19 IonicContact OE2-NH2 2.66Å; E16-R19 PolarHBondContact OE2-NH2 3.26Å; P17-R19 PolarHBondContact O-N 3.27Å; R19-S22 PolarHBondContact O-N 2.79Å; R19-F23 PolarHBondContact O-N 3.14Å; R19-I246 HydrophobicContact CB-CD1 3.88Å; R19-I246 HydrophobicContact CB-CG1 4.5Å |
| 20 | V | 94.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.8 | -49.4 | 175.7 | -173.8 | 0 | 0 | 0 | 0 | 109.5 | P17 S22 F23 Q24 V180 I239 | P17-V20 PolarHBondContact O-N 3.17Å; V20-S22 VanDerWaalsContact C-N 3.28Å; V20-S22 PolarHBondContact O-N 2.67Å; V20-F23 PolarHBondContact O-N 3.27Å; V20-F23 VanDerWaalsContact O-N 3.14Å; V20-Q24 WeakPolarHBondContact O-CB 3.2Å; V20-Q24 WeakPolarHBondContact O-CG 3.46Å; V20-Q24 PolarHBondContact O-N 3.14Å; V20-V180 HydrophobicContact CB-CG1 4.31Å; V20-V180 HydrophobicContact CB-CG2 3.75Å; V20-V180 HydrophobicContact CG1-CB 4.49Å; V20-V180 HydrophobicContact CG1-CG1 3.62Å; V20-V180 HydrophobicContact CG1-CG2 4.01Å; V20-I239 HydrophobicContact CB-CG2 4.38Å; V20-I239 HydrophobicContact CG1-CG2 3.98Å; V20-I239 VanDerWaalsContact CG1-O 3.3Å; V20-I239 WeakPolarHBondContact CG1-O 3.17Å; V20-I239 HydrophobicContact CG2-CG2 4.32Å |
| 21 | A | 93.6 | Very high | 92 | Very high | 4 Ų | 4 | 59.8 Ų | 59.8 | 3% | 0.033 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.7 | -26.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | P17 R25 P179 V180 | P17-A21 WeakPolarHBondContact O-CB 3.31Å; P17-A21 PolarHBondContact O-N 3.42Å; A21-R25 WeakPolarHBondContact O-CG 3.08Å; A21-R25 PolarHBondContact O-N 2.87Å; A21-R25 PolarHBondContact O-NE 3.39Å; A21-P179 HydrophobicContact CB-CB 3.95Å; A21-P179 HydrophobicContact CB-CG 3.97Å; A21-P179 WeakPolarHBondContact CB-O 3.25Å; A21-V180 HydrophobicContact CB-CG2 4.25Å |
| 22 | S | 94.6 | Very high | 91 | Very high | 64 Ų | 64 | 60.5 Ų | 60.5 | 45% | 0.448 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -74.8 | -39.7 | 172.1 | -170.2 | 0 | 0 | 0 | 0 | 112 | Q18 R19 V20 L26 | Q18-S22 WeakPolarHBondContact O-CB 3.03Å; Q18-S22 PolarHBondContact O-N 3.02Å; R19-S22 PolarHBondContact O-N 2.79Å; V20-S22 VanDerWaalsContact C-N 3.28Å; V20-S22 PolarHBondContact O-N 2.67Å; S22-L26 WeakPolarHBondContact O-CB 3.17Å; S22-L26 PolarHBondContact O-N 3.4Å |
| 23 | F | 95.2 | Very high | 89.3 | Confident | 43 Ų | 43 | 63.9 Ų | 63.9 | 19% | 0.189 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.4 | -44.5 | 174.2 | -179.4 | -107.1 | 0 | 0 | 0 | 111.3 | R19 V20 R25 L26 C27 F121 L236 I239 | R19-F23 PolarHBondContact O-N 3.14Å; V20-F23 PolarHBondContact O-N 3.27Å; V20-F23 VanDerWaalsContact O-N 3.14Å; F23-R25 PolarHBondContact O-N 2.98Å; F23-L26 WeakPolarHBondContact O-CB 3.13Å; F23-L26 PolarHBondContact O-N 2.9Å; F23-C27 WeakPolarHBondContact O-CB 3.34Å; F23-C27 PolarHBondContact O-N 2.94Å; F23-C27 PolarHBondContact O-SG 3.47Å; F23-F121 HydrophobicContact CE1-CZ 4.39Å; F23-F121 HydrophobicContact CZ-CE2 4.43Å; F23-F121 AromaticContact CZ-CZ 3.96Å; F23-F121 HydrophobicContact CZ-CZ 3.96Å; F23-L236 HydrophobicContact CE2-CD2 4.19Å; F23-L236 HydrophobicContact CZ-CB 4.18Å; F23-L236 HydrophobicContact CZ-CD2 3.88Å; F23-I239 HydrophobicContact CB-CG2 4.21Å; F23-I239 HydrophobicContact CD1-CB 3.96Å; F23-I239 HydrophobicContact CD1-CG2 3.53Å; F23-I239 HydrophobicContact CE1-CB 4.1Å; F23-I239 HydrophobicContact CE1-CG2 4.17Å; F23-I239 HydrophobicContact CG-CG2 4.07Å |
| 24 | Q | 94.6 | Very high | 87.4 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.009 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -54.8 | -49 | 173.5 | -76.7 | -174.8 | -39.7 | 0 | 0 | 112.3 | V20 C27 G28 V29 I181 Y240 | V20-Q24 WeakPolarHBondContact O-CB 3.2Å; V20-Q24 WeakPolarHBondContact O-CG 3.46Å; V20-Q24 PolarHBondContact O-N 3.14Å; Q24-C27 CarbonylContact O-C 3.44Å; Q24-C27 PolarHBondContact O-N 3.21Å; Q24-G28 PolarHBondContact O-N 3.36Å; Q24-G28 VanDerWaalsContact O-N 3.11Å; Q24-V29 HydrophobicContact CB-CB 4.17Å; Q24-V29 PolarHBondContact O-N 2.93Å; Q24-I181 PolarHBondContact NE2-O 3.29Å; Q24-Y240 WeakPolarHBondContact CG-O 3.48Å; Q24-Y240 PolarHBondContact NE2-O 2.95Å |
| 25 | R | 93.6 | Very high | 85.1 | Confident | 138 Ų | 138 | 63.3 Ų | 63.3 | 52% | 0.521 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 175.4 | -76.8 | 176.1 | -71.7 | 165 | -5.2 | 113 | A21 F23 C27 G28 V29 | A21-R25 WeakPolarHBondContact O-CG 3.08Å; A21-R25 PolarHBondContact O-N 2.87Å; A21-R25 PolarHBondContact O-NE 3.39Å; F23-R25 PolarHBondContact O-N 2.98Å; R25-C27 PolarHBondContact O-N 3.24Å; R25-G28 PolarHBondContact O-N 2.89Å; R25-V29 WeakPolarHBondContact CA-O 3.35Å |
| 26 | L | 94.4 | Very high | 82.4 | Confident | 145 Ų | 145 | 65.1 Ų | 65.1 | 76% | 0.759 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -59.7 | -35.3 | 174.6 | -180 | 65.1 | 0 | 0 | 0 | 111.9 | S22 F23 G28 | S22-L26 WeakPolarHBondContact O-CB 3.17Å; S22-L26 PolarHBondContact O-N 3.4Å; F23-L26 WeakPolarHBondContact O-CB 3.13Å; F23-L26 PolarHBondContact O-N 2.9Å; L26-G28 VanDerWaalsContact C-N 3.29Å; L26-G28 PolarHBondContact O-N 3.46Å |
| 27 | C | 94 | Very high | 79.8 | Confident | 9 Ų | 9 | 68.6 Ų | 68.6 | 6% | 0.061 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 11.6 | 175 | -60.6 | 0 | 0 | 0 | 0 | 113.8 | F23 Q24 R25 L117 F121 Y240 | F23-C27 WeakPolarHBondContact O-CB 3.34Å; F23-C27 PolarHBondContact O-N 2.94Å; F23-C27 PolarHBondContact O-SG 3.47Å; Q24-C27 CarbonylContact O-C 3.44Å; Q24-C27 PolarHBondContact O-N 3.21Å; R25-C27 PolarHBondContact O-N 3.24Å; C27-L117 HydrophobicContact CB-CD2 3.59Å; C27-L117 HydrophobicContact CB-CG 4.4Å; C27-F121 HydrophobicContact CB-CE2 4.33Å; C27-Y240 HydrophobicContact CB-CD2 3.57Å; C27-Y240 HydrophobicContact CB-CE2 3.48Å; C27-Y240 VanDerWaalsContact CB-CE2 3.48Å |
| 28 | G | 91.6 | Very high | 77.1 | Confident | 7 Ų | 7 | 72.1 Ų | 72.1 | 7% | 0.072 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 31.1 | 172 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q24 R25 L26 V112 S113 | Q24-G28 PolarHBondContact O-N 3.36Å; Q24-G28 VanDerWaalsContact O-N 3.11Å; R25-G28 PolarHBondContact O-N 2.89Å; L26-G28 VanDerWaalsContact C-N 3.29Å; L26-G28 PolarHBondContact O-N 3.46Å; G28-V112 CarbonylContact O-C 3.51Å; G28-V112 WeakPolarHBondContact O-CA 3.48Å; G28-S113 VanDerWaalsContact CA-OG 3.23Å; G28-S113 WeakPolarHBondContact CA-OG 3.48Å; G28-S113 PolarHBondContact O-N 2.05Å; G28-S113 PolarHBondContact O-OG 3.21Å |
| 29 | V | 90.4 | Very high | 74.3 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 124.7 | 173.2 | -169.2 | 0 | 0 | 0 | 0 | 109.8 | Q24 R25 A110 K111 I181 L183 Y240 | Q24-V29 HydrophobicContact CB-CB 4.17Å; Q24-V29 PolarHBondContact O-N 2.93Å; R25-V29 WeakPolarHBondContact CA-O 3.35Å; V29-A110 HydrophobicContact CG1-CB 4.32Å; V29-K111 WeakPolarHBondContact CA-O 3.36Å; V29-I181 HydrophobicContact CG1-CB 4.47Å; V29-I181 HydrophobicContact CG1-CD1 3.96Å; V29-I181 HydrophobicContact CG1-CG2 4.43Å; V29-L183 HydrophobicContact CG1-CD1 4.32Å; V29-L183 HydrophobicContact CG1-CD2 4.15Å; V29-L183 HydrophobicContact CG2-CD1 4.25Å; V29-Y240 HydrophobicContact CG2-CD2 4.25Å; V29-Y240 HydrophobicContact CG2-CE1 4.37Å; V29-Y240 HydrophobicContact CG2-CE2 3.36Å; V29-Y240 VanDerWaalsContact CG2-CZ 3.44Å; V29-Y240 VanDerWaalsContact CG2-OH 3.3Å; V29-Y240 WeakPolarHBondContact CG2-OH 3.5Å |
| 30 | E | 86.8 | Confident | 71.5 | Confident | 73 Ų | 73 | 70.2 Ų | 70.2 | 34% | 0.341 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 152.8 | -174.7 | -63.2 | 177 | 155.1 | 0 | 0 | 111.3 | K111 I181 | E30-K111 HydrophobicContact CB-CB 4.37Å; E30-K111 HydrophobicContact CB-CD 4.44Å; E30-K111 PolarHBondContact N-O 3.05Å; E30-K111 WeakPolarHBondContact O-CB 3.39Å; E30-K111 PolarHBondContact O-N 3.4Å; E30-K111 WeakPolarHBondContact OE2-CD 3.3Å; E30-K111 WeakPolarHBondContact OE2-CE 3.41Å; E30-K111 IonicContact OE2-NZ 3.58Å; E30-K111 PolarHBondContact OE2-NZ 2.92Å; E30-I181 VanDerWaalsContact C-CD1 3.49Å |
| 31 | V | 77.2 | Confident | 68.5 | Low | 83 Ų | 83 | 76.8 Ų | 76.8 | 50% | 0.503 | 46% | 0.459 | S | S | . | . | trans | -71.6 | 134.1 | 166.5 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | L33 I181 | V31-L33 PolarHBondContact O-N 3.33Å; V31-I181 HydrophobicContact CG2-CD1 3.8Å; V31-I181 HydrophobicContact CG2-CG1 4.07Å | ||
| 32 | P | 69.6 | Low | 65.7 | Low | 45 Ų | 45 | 81.1 Ų | 81.1 | 29% | 0.292 | 50% | 0.495 | S | S | . | . | trans | -58.6 | 127.1 | 173.2 | -24.5 | 34.1 | 0 | 0 | 0 | 111.9 | G34 S35 L109 K111 | P32-G34 PolarHBondContact O-N 2.8Å; P32-G34 VanDerWaalsContact O-N 3.12Å; P32-S35 PolarHBondContact O-N 3.2Å; P32-L109 WeakPolarHBondContact CD-O 3.13Å; P32-L109 HydrophobicContact CG-CB 4.25Å; P32-L109 VanDerWaalsContact CG-O 3.25Å; P32-L109 WeakPolarHBondContact CG-O 2.98Å; P32-K111 HydrophobicContact CG-CB 4.46Å | ||
| 33 | L | 55 | Low | 62.8 | Low | 166 Ų | 166 | 87.1 Ų | 87.1 | 87% | 0.869 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 115.7 | 168.4 | -73.1 | 80.9 | 0 | 0 | 0 | 108 | V31 | V31-L33 PolarHBondContact O-N 3.33Š|
| 34 | G | 53.6 | Low | 59.8 | Low | 77 Ų | 77 | 91 Ų | 91 | 79% | 0.794 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 129.2 | -11.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | P32 | P32-G34 PolarHBondContact O-N 2.8Å; P32-G34 VanDerWaalsContact O-N 3.12Å |
| 35 | S | 43.8 | Very low | 56.8 | Low | 77 Ų | 77 | 100.2 Ų | 100.2 | 54% | 0.538 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -65.2 | 133 | 161.5 | -168.4 | 0 | 0 | 0 | 0 | 109.5 | P32 | P32-S35 PolarHBondContact O-N 3.2Š|
| 36 | P | 35.9 | Very low | 54 | Low | 101 Ų | 101 | 100.4 Ų | 100.4 | 66% | 0.656 | 60% | 0.603 | S | S | * | * | trans | -62.1 | 138.6 | 174.1 | 26.9 | -33.8 | 0 | 0 | 0 | 109.9 | A38 | P36-A38 PolarHBondContact O-N 3.15Å; P36-A38 VanDerWaalsContact O-N 3.14Å | ||
| 37 | K | 36.4 | Very low | 51 | Low | 132 Ų | 132 | 105.9 Ų | 105.9 | 57% | 0.574 | 61% | 0.613 | S | S | * | * | trans | -66.6 | 113.6 | 170.6 | -74.2 | 170.7 | 174 | 178.3 | 0 | 108.1 | G39 E40 | K37-G39 VanDerWaalsContact C-N 3.27Å; K37-G39 PolarHBondContact O-N 3.38Å; K37-E40 HydrophobicContact CD-CG 4.35Å; K37-E40 WeakPolarHBondContact CD-OE2 3.39Å; K37-E40 WeakPolarHBondContact CE-OE2 3.24Å; K37-E40 IonicContact NZ-OE1 3.18Å; K37-E40 PolarHBondContact NZ-OE1 2.81Å; K37-E40 IonicContact NZ-OE2 2.71Å; K37-E40 PolarHBondContact NZ-OE2 3.2Å | ||
| 38 | A | 36.1 | Very low | 48 | Very low | 113 Ų | 113 | 109.4 Ų | 109.4 | 93% | 0.934 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | 89.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | P36 | P36-A38 PolarHBondContact O-N 3.15Å; P36-A38 VanDerWaalsContact O-N 3.14Å |
| 39 | G | 36.4 | Very low | 45.4 | Very low | 71 Ų | 71 | 113.8 Ų | 113.8 | 73% | 0.732 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 160.2 | -13.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | K37 | K37-G39 VanDerWaalsContact C-N 3.27Å; K37-G39 PolarHBondContact O-N 3.38Å |
| 40 | E | 34.6 | Very low | 42.7 | Very low | 124 Ų | 124 | 120.4 Ų | 120.4 | 58% | 0.579 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -112 | -20.8 | -173.5 | -74.4 | 176.7 | 176.8 | 0 | 0 | 115.6 | K37 | K37-E40 HydrophobicContact CD-CG 4.35Å; K37-E40 WeakPolarHBondContact CD-OE2 3.39Å; K37-E40 WeakPolarHBondContact CE-OE2 3.24Å; K37-E40 IonicContact NZ-OE1 3.18Å; K37-E40 PolarHBondContact NZ-OE1 2.81Å; K37-E40 IonicContact NZ-OE2 2.71Å; K37-E40 PolarHBondContact NZ-OE2 3.2Å |
| 41 | D | 32.2 | Very low | 40.3 | Very low | 139 Ų | 139 | 120.7 Ų | 120.7 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -96.5 | 12.7 | -171 | -59.3 | -48.7 | 0 | 0 | 0 | 115.3 | ||
| 42 | A | 33.9 | Very low | 38.3 | Very low | 95 Ų | 95 | 123.3 Ų | 123.3 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -98.7 | -9.9 | -169.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 43 | E | 34.5 | Very low | 36.6 | Very low | 190 Ų | 190 | 126.7 Ų | 126.7 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -114.4 | 2.5 | -169.7 | -64.9 | -164.5 | 121.9 | 0 | 0 | 115.4 | ||
| 44 | T | 32.2 | Very low | 35.7 | Very low | 124 Ų | 124 | 129.4 Ų | 129.4 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -120.6 | 22 | -164.8 | -33.7 | 0 | 0 | 0 | 0 | 116.3 | ||
| 45 | E | 31.5 | Very low | 34.9 | Very low | 195 Ų | 195 | 138 Ų | 138 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -125.2 | 38.8 | 173.9 | -77.4 | -148.4 | 130.4 | 0 | 0 | 115.1 | ||
| 46 | V | 33.3 | Very low | 34.5 | Very low | 143 Ų | 143 | 146.2 Ų | 146.2 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | trans | -130.5 | 55 | 170.6 | -162.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 47 | R | 31.7 | Very low | 34.7 | Very low | 260 Ų | 260 | 146.8 Ų | 146.8 | 98% | 0.981 | 82% | 0.816 | S | S | * | * | trans | -154 | 94.1 | 171.4 | -109.2 | -179 | -173.6 | -163.2 | 2.3 | 113.8 | ||||
| 48 | G | 32.2 | Very low | 34.7 | Very low | 83 Ų | 83 | 152.3 Ų | 152.3 | 86% | 0.856 | 83% | 0.833 | S | S | * | * | trans | 145 | 94.3 | 155.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 49 | A | 35.4 | Very low | 34.5 | Very low | 99 Ų | 99 | 156.2 Ų | 156.2 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | trans | 168.5 | 116.8 | 137.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 50 | P | 33.5 | Very low | 34.6 | Very low | 139 Ų | 139 | 158.8 Ų | 158.8 | 90% | 0.903 | 84% | 0.838 | S | S | * | * | trans | -88.8 | 129.7 | 165.5 | 32.9 | -29.3 | 0 | 0 | 0 | 111.1 | ||||
| 51 | G | 36.8 | Very low | 34.6 | Very low | 79 Ų | 79 | 156.3 Ų | 156.3 | 81% | 0.814 | 85% | 0.846 | S | S | * | * | trans | -155.9 | 92.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 52 | D | 35.7 | Very low | 34.9 | Very low | 137 Ų | 137 | 154.1 Ų | 154.1 | 73% | 0.733 | 85% | 0.847 | S | S | * | * | trans | 35.7 | 116.9 | 158.8 | -161.4 | 26.7 | 0 | 0 | 0 | 121.6 | ||||
| 53 | P | 33.5 | Very low | 35 | Very low | 116 Ų | 116 | 157.3 Ų | 157.3 | 75% | 0.753 | 85% | 0.851 | S | S | * | * | trans | -100.3 | 108.1 | 178.3 | 35.9 | -30.3 | 0 | 0 | 0 | 114.7 | ||||
| 54 | R | 36.9 | Very low | 35 | Very low | 223 Ų | 223 | 151 Ų | 151 | 84% | 0.842 | 84% | 0.838 | S | S | * | * | trans | -158.5 | 97.5 | 167.5 | -104 | 147.8 | -162.2 | -136.7 | 6.3 | 115.9 | ||||
| 55 | R | 37.2 | Very low | 35.3 | Very low | 258 Ų | 258 | 151.1 Ų | 151.1 | 97% | 0.974 | 84% | 0.843 | S | S | * | * | 176.5 | 150.3 | 127.7 | -94.7 | 160.7 | -169.5 | -143.9 | 1 | 111.8 | |||||
| 56 | R | 35.8 | Very low | 35.5 | Very low | 249 Ų | 249 | 147.6 Ų | 147.6 | 94% | 0.94 | 84% | 0.837 | S | S | * | * | trans | -116.3 | 167.6 | -177.8 | -105.2 | -169 | 173.6 | -176.7 | -1 | 111.6 | ||||
| 57 | P | 39.6 | Very low | 35.3 | Very low | 114 Ų | 114 | 145.2 Ų | 145.2 | 74% | 0.74 | 83% | 0.833 | S | S | * | * | trans | -101.3 | -173.5 | -153.7 | 41.1 | -40.1 | 0 | 0 | 0 | 115.4 | ||||
| 58 | R | 35 | Very low | 35.3 | Very low | 248 Ų | 248 | 142.8 Ų | 142.8 | 94% | 0.936 | 83% | 0.829 | S | S | * | * | trans | -138.3 | 156.2 | 163 | -93.8 | -175.7 | 168 | 174.7 | -4.2 | 111.8 | ||||
| 59 | Q | 33.5 | Very low | 35.2 | Very low | 194 Ų | 194 | 144 Ų | 144 | 91% | 0.907 | 82% | 0.822 | S | S | * | * | trans | -128.3 | 150.1 | -176.1 | -61.3 | 165.9 | -67.1 | 0 | 0 | 111.9 | ||||
| 60 | S | 38 | Very low | 34.8 | Very low | 125 Ų | 125 | 146.3 Ų | 146.3 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | trans | 178.1 | 150.8 | 144.6 | -128.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 61 | G | 33.5 | Very low | 34.5 | Very low | 72 Ų | 72 | 146.2 Ų | 146.2 | 74% | 0.742 | 82% | 0.821 | S | S | * | * | cis | 102.3 | 118.4 | 21.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 62 | A | 38.4 | Very low | 34 | Very low | 93 Ų | 93 | 149 Ų | 149 | 77% | 0.769 | 83% | 0.827 | S | S | * | * | cis | -154.3 | -164.3 | 1.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 63 | D | 37 | Very low | 33.6 | Very low | 163 Ų | 163 | 145.9 Ų | 145.9 | 87% | 0.872 | 83% | 0.827 | S | S | * | * | cis | -164.1 | -173.1 | 3.2 | -149.1 | -69 | 0 | 0 | 0 | 109.3 | ||||
| 64 | G | 35 | Very low | 33.3 | Very low | 58 Ų | 58 | 144.5 Ų | 144.5 | 60% | 0.598 | 83% | 0.826 | S | S | * | * | trans | 124.2 | 85.3 | 143 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 65 | S | 37 | Very low | 33.1 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | trans | 71.2 | 158.2 | 147.9 | -68.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 66 | P | 35.5 | Very low | 32.7 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | trans | -135.8 | 170.6 | -145 | 43.2 | -26.2 | 0 | 0 | 0 | 119.9 | ||||
| 67 | A | 30.3 | Very low | 32.3 | Very low | 94 Ų | 94 | 127 Ų | 127 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | trans | 73.2 | 106 | 145.9 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 68 | K | 30.6 | Very low | 32 | Very low | 209 Ų | 209 | 128 Ų | 128 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | -155.6 | 151.2 | 130 | -108.5 | 174.9 | -175.9 | 178.9 | 0 | 109.8 | |||||
| 69 | P | 31.5 | Very low | 31.6 | Very low | 108 Ų | 108 | 125.9 Ų | 125.9 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | -95.1 | 149.6 | -162.6 | 36 | -36 | 0 | 0 | 0 | 116 | ||||
| 70 | D | 26.3 | Very low | 31.3 | Very low | 147 Ų | 147 | 123.3 Ų | 123.3 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | 38.8 | 107.6 | 141.4 | -52.5 | -25.6 | 0 | 0 | 0 | 121.2 | ||||
| 71 | C | 27.2 | Very low | 30.9 | Very low | 137 Ų | 137 | 121 Ų | 121 | 93% | 0.926 | 80% | 0.795 | S | S | * | * | trans | -139.6 | 108.6 | 141.8 | -112.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 72 | C | 25.9 | Very low | 30.6 | Very low | 137 Ų | 137 | 126.1 Ų | 126.1 | 93% | 0.926 | 81% | 0.805 | S | S | * | * | trans | -77.3 | 132.7 | 179.5 | -61.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 73 | G | 28.2 | Very low | 30 | Very low | 72 Ų | 72 | 126.7 Ų | 126.7 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | trans | 176.5 | 58.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 74 | A | 27.6 | Very low | 29.6 | Very low | 87 Ų | 87 | 123.7 Ų | 123.7 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | trans | -70.7 | 126.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N76 | A74-N76 PolarHBondContact O-N 3.08Š| ||
| 75 | P | 31.1 | Very low | 29.3 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 79% | 0.792 | 82% | 0.819 | S | S | * | * | trans | -88.5 | 104 | -177.6 | 33.2 | -33.2 | 0 | 0 | 0 | 112.4 | G77 | P75-G77 PolarHBondContact O-N 3.37Š| ||
| 76 | N | 30.3 | Very low | 29.1 | Very low | 167 Ų | 167 | 129.4 Ų | 129.4 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | trans | -89.4 | 85.9 | 174.9 | -79.1 | -12.7 | 0 | 0 | 0 | 111.8 | A74 | A74-N76 PolarHBondContact O-N 3.08Š| ||
| 77 | G | 26.9 | Very low | 29 | Very low | 73 Ų | 73 | 126.7 Ų | 126.7 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | trans | -127.6 | 71.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P75 | P75-G77 PolarHBondContact O-N 3.37Š| ||
| 78 | V | 33.5 | Very low | 29.1 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | trans | -147.5 | 133.6 | -171.4 | 175.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 79 | R | 26.9 | Very low | 29.1 | Very low | 203 Ų | 203 | 125.1 Ų | 125.1 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | cis | -174.3 | 156.5 | -9.3 | -178.8 | -160.7 | 165.8 | 174.6 | 1.1 | 109.1 | ||||
| 80 | N | 26.6 | Very low | 29.5 | Very low | 140 Ų | 140 | 122.8 Ų | 122.8 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | trans | 73.1 | 143.9 | 164 | -66 | -21.1 | 0 | 0 | 0 | 119.3 | ||||
| 81 | G | 29.5 | Very low | 30.1 | Very low | 77 Ų | 77 | 122 Ų | 122 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | 170 | 117 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 82 | L | 26.3 | Very low | 30.5 | Very low | 179 Ų | 179 | 127.2 Ų | 127.2 | 94% | 0.937 | 81% | 0.808 | S | S | * | * | trans | -80.1 | 153.6 | -176.7 | -78.9 | 122.8 | 0 | 0 | 0 | 112.7 | ||||
| 83 | A | 26 | Very low | 31.2 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | trans | -68.3 | 145.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 84 | A | 30 | Very low | 31.7 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | -112.2 | 140 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 85 | E | 27.7 | Very low | 32.3 | Very low | 181 Ų | 181 | 128.7 Ų | 128.7 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | -61.6 | 148.7 | 179.3 | -75.6 | -82.9 | 105.4 | 0 | 0 | 113.4 | G87 | E85-G87 PolarHBondContact O-N 3.35Å; E85-G87 VanDerWaalsContact O-N 3.1Å | ||
| 86 | P | 33.8 | Very low | 32.9 | Very low | 121 Ų | 121 | 128 Ų | 128 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | trans | -78.6 | 93.6 | 179.5 | 32 | -34.4 | 0 | 0 | 0 | 112.6 | ||||
| 87 | G | 33.3 | Very low | 33.9 | Very low | 64 Ų | 64 | 124.3 Ų | 124.3 | 66% | 0.66 | 75% | 0.752 | S | S | * | * | trans | -61.1 | 158.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114 | E85 | E85-G87 PolarHBondContact O-N 3.35Å; E85-G87 VanDerWaalsContact O-N 3.1Å | ||
| 88 | P | 32.3 | Very low | 35.3 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 81% | 0.812 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -70.1 | 134.9 | -163.5 | 26.5 | -35.3 | 0 | 0 | 0 | 115.1 | G90 | P88-G90 PolarHBondContact O-N 2.93Š|
| 89 | T | 31.3 | Very low | 36.4 | Very low | 146 Ų | 146 | 129.2 Ų | 129.2 | 90% | 0.896 | 73% | 0.733 | S | S | * | * | trans | 11.6 | 71.4 | 159.8 | 57 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 90 | G | 39.1 | Very low | 38.2 | Very low | 58 Ų | 58 | 119.8 Ų | 119.8 | 60% | 0.598 | 70% | 0.698 | S | S | * | * | trans | -80.8 | 171.1 | 156.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P88 R92 | P88-G90 PolarHBondContact O-N 2.93Å; G90-R92 PolarHBondContact O-N 3.35Å | ||
| 91 | P | 38.2 | Very low | 39.9 | Very low | 130 Ų | 130 | 118 Ų | 118 | 84% | 0.844 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -57.8 | 138 | 174.5 | 24.9 | -33.8 | 0 | 0 | 0 | 111.1 | R93 | P91-R93 PolarHBondContact O-N 3.41Š|
| 92 | R | 36.3 | Very low | 41.4 | Very low | 247 Ų | 247 | 116.1 Ų | 116.1 | 93% | 0.932 | 67% | 0.668 | S | S | * | * | trans | -49.5 | 111.6 | -169.2 | -78.7 | -179.6 | 168.4 | 174.3 | -4.1 | 112.4 | G90 A94 | G90-R92 PolarHBondContact O-N 3.35Å; R92-A94 VanDerWaalsContact C-N 3.31Å; R92-A94 PolarHBondContact O-N 3.09Å | ||
| 93 | R | 40 | Very low | 43.3 | Very low | 243 Ų | 243 | 109.8 Ų | 109.8 | 92% | 0.917 | 64% | 0.636 | S | S | * | * | trans | -67.9 | 83.7 | 170.7 | -70.3 | -177.3 | 177.2 | 176.4 | -1.1 | 110.5 | P91 G95 | P91-R93 PolarHBondContact O-N 3.41Å; R93-G95 PolarHBondContact O-N 2.79Å | ||
| 94 | A | 38.4 | Very low | 45.2 | Very low | 58 Ų | 58 | 106 Ų | 106 | 48% | 0.479 | 61% | 0.608 | S | S | . | * | trans | -74.7 | 63.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | R92 L115 | R92-A94 VanDerWaalsContact C-N 3.31Å; R92-A94 PolarHBondContact O-N 3.09Å; A94-L115 HydrophobicContact CB-CD2 4.41Å | ||
| 95 | G | 42.1 | Very low | 47 | Very low | 27 Ų | 27 | 104.3 Ų | 104.3 | 28% | 0.278 | 58% | 0.583 | S | S | . | * | trans | -165.2 | 58.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 111 | R93 L109 | R93-G95 PolarHBondContact O-N 2.79Å; G95-L109 WeakPolarHBondContact O-CD2 3.31Å | ||
| 96 | S | 41.6 | Very low | 49 | Very low | 107 Ų | 107 | 101.4 Ų | 101.4 | 75% | 0.748 | 57% | 0.569 | S | S | * | * | trans | -65.8 | 133.6 | 164.8 | 174.8 | 0 | 0 | 0 | 0 | 108.4 | R98 | S96-R98 VanDerWaalsContact C-N 3.28Å; S96-R98 PolarHBondContact O-N 3.19Å | ||
| 97 | L | 52.7 | Low | 50.5 | Low | 90 Ų | 90 | 96.3 Ų | 96.3 | 47% | 0.471 | 54% | 0.539 | S | S | . | . | trans | -59.3 | 92.3 | 170.3 | -67.7 | 169.9 | 0 | 0 | 0 | 108.7 | G107 L109 | L97-G107 WeakPolarHBondContact CD2-O 3.22Å; L97-L109 HydrophobicContact CD2-CD2 3.78Å; L97-L109 HydrophobicContact CD2-CG 3.96Å; L97-L109 HydrophobicContact CG-CD2 4.1Å | ||
| 98 | R | 56.4 | Low | 52.3 | Low | 152 Ų | 152 | 97.2 Ų | 97.2 | 57% | 0.574 | 53% | 0.526 | S | S | * | . | trans | -61.3 | 142.4 | 165.3 | -77.3 | -176.6 | 168.4 | -164.3 | -5.9 | 107.1 | S96 G107 I185 | S96-R98 VanDerWaalsContact C-N 3.28Å; S96-R98 PolarHBondContact O-N 3.19Å; R98-G107 PolarHBondContact O-N 2.82Å; R98-I185 HydrophobicContact CB-CD1 3.61Å; R98-I185 WeakPolarHBondContact O-CD1 3.47Å | ||
| 99 | R | 55.9 | Low | 54.1 | Low | 160 Ų | 160 | 96.1 Ų | 96.1 | 60% | 0.604 | 51% | 0.513 | S | S | * | . | B | Isolated β-bridge | trans | -125.1 | 130.5 | 177 | -171.6 | 169.6 | -175.8 | 178.8 | -5.7 | 109.1 | S101 G104 E105 E106 | R99-S101 PolarHBondContact O-N 3.2Å; R99-G104 PolarHBondContact NE-O 3Å; R99-G104 PolarHBondContact NH2-O 2.86Å; R99-E105 CarbonylContact C-O 3.29Å; R99-E105 VanDerWaalsContact CA-O 3.28Å; R99-E105 WeakPolarHBondContact CA-O 3.45Å; R99-E105 WeakPolarHBondContact CG-O 3.23Å; R99-E106 HydrophobicContact CB-CG 4.37Å; R99-E106 WeakPolarHBondContact CD-OE1 3.43Å; R99-E106 HydrophobicContact CG-CG 3.86Å; R99-E106 IonicContact CZ-OE1 2.69Å; R99-E106 IonicContact NE-OE1 3.47Å; R99-E106 IonicContact NH1-OE1 2.67Å; R99-E106 PolarHBondContact NH1-OE1 2.94Å |
| 100 | N | 64.5 | Low | 56.4 | Low | 6 Ų | 6 | 90 Ų | 90 | 3% | 0.032 | 48% | 0.476 | C | S | . | . | trans | -65.4 | 123 | 175.4 | -174.7 | -30.1 | 0 | 0 | 0 | 108.7 | L102 T103 G104 E105 I185 F186 | N100-L102 VanDerWaalsContact C-N 3.29Å; N100-L102 PolarHBondContact O-N 2.9Å; N100-L102 PolarHBondContact OD1-N 3.25Å; N100-T103 VanDerWaalsContact CB-OG1 3.23Å; N100-T103 WeakPolarHBondContact CB-OG1 3.41Å; N100-T103 PolarHBondContact ND2-OG1 3.49Å; N100-T103 VanDerWaalsContact ND2-OG1 3.08Å; N100-T103 PolarHBondContact OD1-N 3.42Å; N100-G104 WeakPolarHBondContact O-CA 3.4Å; N100-G104 PolarHBondContact O-N 3.31Å; N100-E105 HydrophobicContact CB-CB 4.22Å; N100-E105 PolarHBondContact N-O 3Å; N100-I185 HydrophobicContact CB-CG2 4.15Å; N100-I185 PolarHBondContact ND2-O 2.87Å; N100-I185 VanDerWaalsContact ND2-O 3.09Å; N100-F186 WeakPolarHBondContact ND2-CA 3.44Å; N100-F186 PolarHBondContact ND2-O 2.66Å; N100-F186 VanDerWaalsContact ND2-O 3.17Å | ||
| 101 | S | 63.8 | Low | 58.6 | Low | 103 Ų | 103 | 91.8 Ų | 91.8 | 72% | 0.72 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -12.3 | -175.3 | 53.3 | 0 | 0 | 0 | 0 | 114.1 | R99 | R99-S101 PolarHBondContact O-N 3.2Š|
| 102 | L | 59.3 | Low | 61 | Low | 37 Ų | 37 | 86.8 Ų | 86.8 | 19% | 0.194 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -48.4 | 177.6 | -65.8 | 174.1 | 0 | 0 | 0 | 112.2 | N100 F186 T303 Q396 | N100-L102 VanDerWaalsContact C-N 3.29Å; N100-L102 PolarHBondContact O-N 2.9Å; N100-L102 PolarHBondContact OD1-N 3.25Å; L102-F186 HydrophobicContact CD1-CE2 3.72Å; L102-F186 HydrophobicContact CD1-CZ 3.68Å; L102-F186 HydrophobicContact CG-CE2 4.26Å; L102-T303 HydrophobicContact CD1-CG2 4.19Å; L102-Q396 PolarHBondContact O-NE2 3.03Å |
| 103 | T | 66.5 | Low | 63.5 | Low | 45 Ų | 45 | 78.8 Ų | 78.8 | 28% | 0.276 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -21.3 | -178.4 | 66.1 | 0 | 0 | 0 | 0 | 113.4 | N100 E105 | N100-T103 VanDerWaalsContact CB-OG1 3.23Å; N100-T103 WeakPolarHBondContact CB-OG1 3.41Å; N100-T103 PolarHBondContact ND2-OG1 3.49Å; N100-T103 VanDerWaalsContact ND2-OG1 3.08Å; N100-T103 PolarHBondContact OD1-N 3.42Å; T103-E105 VanDerWaalsContact C-N 3.28Å; T103-E105 PolarHBondContact O-N 2.91Å; T103-E105 VanDerWaalsContact OG1-CG 3.31Å; T103-E105 WeakPolarHBondContact OG1-CG 3.47Å; T103-E105 PolarHBondContact OG1-N 3.03Å; T103-E105 PolarHBondContact OG1-OE2 2.81Å |
| 104 | G | 66.3 | Low | 66 | Low | 26 Ų | 26 | 70.2 Ų | 70.2 | 27% | 0.268 | 39% | 0.389 | S | S | . | . | trans | 79.5 | 0.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R99 N100 | R99-G104 PolarHBondContact NE-O 3Å; R99-G104 PolarHBondContact NH2-O 2.86Å; N100-G104 WeakPolarHBondContact O-CA 3.4Å; N100-G104 PolarHBondContact O-N 3.31Å | ||
| 105 | E | 67 | Low | 68.5 | Low | 65 Ų | 65 | 71.1 Ų | 71.1 | 30% | 0.304 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 139.9 | 178.4 | -69.2 | 169.4 | 130 | 0 | 0 | 112.7 | R99 N100 T103 I185 N188 | R99-E105 CarbonylContact C-O 3.29Å; R99-E105 VanDerWaalsContact CA-O 3.28Å; R99-E105 WeakPolarHBondContact CA-O 3.45Å; R99-E105 WeakPolarHBondContact CG-O 3.23Å; N100-E105 HydrophobicContact CB-CB 4.22Å; N100-E105 PolarHBondContact N-O 3Å; T103-E105 VanDerWaalsContact C-N 3.28Å; T103-E105 PolarHBondContact O-N 2.91Å; T103-E105 VanDerWaalsContact OG1-CG 3.31Å; T103-E105 WeakPolarHBondContact OG1-CG 3.47Å; T103-E105 PolarHBondContact OG1-N 3.03Å; T103-E105 PolarHBondContact OG1-OE2 2.81Å; E105-I185 HydrophobicContact CB-CG2 3.79Å; E105-N188 PolarHBondContact OE1-ND2 3.32Å |
| 106 | E | 69.9 | Low | 71 | Confident | 119 Ų | 119 | 74.6 Ų | 74.6 | 56% | 0.556 | 40% | 0.403 | S | S | * | . | B | Isolated β-bridge | trans | -103.9 | 143.7 | 178 | -63.2 | -172.4 | 171.4 | 0 | 0 | 111 | R99 | R99-E106 HydrophobicContact CB-CG 4.37Å; R99-E106 WeakPolarHBondContact CD-OE1 3.43Å; R99-E106 HydrophobicContact CG-CG 3.86Å; R99-E106 IonicContact CZ-OE1 2.69Å; R99-E106 IonicContact NE-OE1 3.47Å; R99-E106 IonicContact NH1-OE1 2.67Å; R99-E106 PolarHBondContact NH1-OE1 2.94Å |
| 107 | G | 66.7 | Low | 73.5 | Confident | 15 Ų | 15 | 71.3 Ų | 71.3 | 16% | 0.155 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 161.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115 | L97 R98 | L97-G107 WeakPolarHBondContact CD2-O 3.22Å; R98-G107 PolarHBondContact O-N 2.82Å |
| 108 | E | 69.4 | Low | 75.4 | Confident | 82 Ų | 82 | 69.4 Ų | 69.4 | 38% | 0.383 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 139.7 | 171.9 | -68.9 | 162.5 | -174.6 | 0 | 0 | 110.9 | A110 S177 I181 K182 | E108-A110 PolarHBondContact O-N 3.47Å; E108-S177 VanDerWaalsContact CD-OG 3.26Å; E108-S177 WeakPolarHBondContact OE1-CB 3.31Å; E108-S177 PolarHBondContact OE1-OG 3.36Å; E108-S177 PolarHBondContact OE2-OG 3Å; E108-I181 VanDerWaalsContact OE2-CA 3.31Å; E108-I181 WeakPolarHBondContact OE2-CA 3.42Å; E108-K182 PolarHBondContact OE2-N 2.77Å |
| 109 | L | 70.4 | Confident | 77.3 | Confident | 103 Ų | 103 | 69.2 Ų | 69.2 | 54% | 0.539 | 36% | 0.364 | S | S | . | . | trans | -71.9 | 112 | 171.2 | -70.2 | 173.7 | 0 | 0 | 0 | 109.4 | P32 G95 L97 | P32-L109 WeakPolarHBondContact CD-O 3.13Å; P32-L109 HydrophobicContact CG-CB 4.25Å; P32-L109 VanDerWaalsContact CG-O 3.25Å; P32-L109 WeakPolarHBondContact CG-O 2.98Å; G95-L109 WeakPolarHBondContact O-CD2 3.31Å; L97-L109 HydrophobicContact CD2-CD2 3.78Å; L97-L109 HydrophobicContact CD2-CG 3.96Å; L97-L109 HydrophobicContact CG-CD2 4.1Å | ||
| 110 | A | 79.2 | Confident | 79.2 | Confident | 16 Ų | 16 | 65.6 Ų | 65.6 | 13% | 0.132 | 36% | 0.356 | C | S | . | . | trans | -104.3 | 145.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V29 E108 I181 L183 | V29-A110 HydrophobicContact CG1-CB 4.32Å; E108-A110 PolarHBondContact O-N 3.47Å; A110-I181 HydrophobicContact CB-CG2 3.78Å; A110-L183 HydrophobicContact CB-CD2 3.52Å | ||
| 111 | K | 85.9 | Confident | 80.7 | Confident | 97 Ų | 97 | 65.9 Ų | 65.9 | 42% | 0.422 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 117.4 | 165.7 | 177.4 | -169.4 | 167 | -153.7 | 0 | 108.4 | V29 E30 P32 | V29-K111 WeakPolarHBondContact CA-O 3.36Å; E30-K111 HydrophobicContact CB-CB 4.37Å; E30-K111 HydrophobicContact CB-CD 4.44Å; E30-K111 PolarHBondContact N-O 3.05Å; E30-K111 WeakPolarHBondContact O-CB 3.39Å; E30-K111 PolarHBondContact O-N 3.4Å; E30-K111 WeakPolarHBondContact OE2-CD 3.3Å; E30-K111 WeakPolarHBondContact OE2-CE 3.41Å; E30-K111 IonicContact OE2-NZ 3.58Å; E30-K111 PolarHBondContact OE2-NZ 2.92Å; P32-K111 HydrophobicContact CG-CB 4.46Å |
| 112 | V | 88.6 | Confident | 82.1 | Confident | 25 Ų | 25 | 62.3 Ų | 62.3 | 15% | 0.152 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 118.2 | 176.8 | 177.9 | 0 | 0 | 0 | 0 | 109.4 | G28 L115 Y118 | G28-V112 CarbonylContact O-C 3.51Å; G28-V112 WeakPolarHBondContact O-CA 3.48Å; V112-L115 HydrophobicContact CG1-CD2 4.27Å; V112-Y118 HydrophobicContact CG1-CD2 4.09Å; V112-Y118 HydrophobicContact CG1-CG 4.03Å; V112-Y118 HydrophobicContact CG2-CD2 4.04Å; V112-Y118 HydrophobicContact CG2-CE2 4.42Å |
| 113 | S | 89 | Confident | 83.9 | Confident | 79 Ų | 79 | 66.3 Ų | 66.3 | 55% | 0.552 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -93.2 | -33.4 | 176.5 | 62.6 | 0 | 0 | 0 | 0 | 113.1 | G28 L115 | G28-S113 VanDerWaalsContact CA-OG 3.23Å; G28-S113 WeakPolarHBondContact CA-OG 3.48Å; G28-S113 PolarHBondContact O-N 2.05Å; G28-S113 PolarHBondContact O-OG 3.21Å; S113-L115 PolarHBondContact O-N 3.29Å |
| 114 | N | 91.8 | Very high | 85.3 | Confident | 63 Ų | 63 | 64.2 Ų | 64.2 | 34% | 0.337 | 34% | 0.335 | S | S | . | . | trans | -100.2 | 80.5 | -177.9 | -167.5 | -19.1 | 0 | 0 | 0 | 111.7 | P116 L117 Y118 | N114-P116 WeakPolarHBondContact OD1-CD 3.31Å; N114-L117 HydrophobicContact CB-CB 4.16Å; N114-L117 VanDerWaalsContact CG-CB 3.42Å; N114-L117 PolarHBondContact O-N 3.14Å; N114-L117 WeakPolarHBondContact OD1-CB 3.25Å; N114-L117 PolarHBondContact OD1-N 3.47Å; N114-Y118 PolarHBondContact O-N 2.84Å | ||
| 115 | L | 92 | Very high | 86.6 | Confident | 76 Ų | 76 | 63.1 Ų | 63.1 | 40% | 0.398 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.5 | -42.5 | -177.8 | -68.6 | 173.7 | 0 | 0 | 0 | 114.8 | A94 V112 S113 L117 Y118 Y119 | A94-L115 HydrophobicContact CB-CD2 4.41Å; V112-L115 HydrophobicContact CG1-CD2 4.27Å; S113-L115 PolarHBondContact O-N 3.29Å; L115-L117 VanDerWaalsContact C-N 3.3Å; L115-L117 PolarHBondContact O-N 2.69Å; L115-Y118 WeakPolarHBondContact O-CB 3.3Å; L115-Y118 PolarHBondContact O-N 3.02Å; L115-Y119 HydrophobicContact CB-CE2 4.33Å; L115-Y119 WeakPolarHBondContact O-CD2 3.48Å; L115-Y119 PolarHBondContact O-N 3.32Å |
| 116 | P | 94.2 | Very high | 88 | Confident | 100 Ų | 100 | 63.5 Ų | 63.5 | 65% | 0.649 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -58.7 | -41.2 | 176.1 | -26 | 35.4 | 0 | 0 | 0 | 112.9 | N114 Y119 L120 | N114-P116 WeakPolarHBondContact OD1-CD 3.31Å; P116-Y119 PolarHBondContact O-N 2.95Å; P116-L120 WeakPolarHBondContact O-CB 3.41Å; P116-L120 PolarHBondContact O-N 3.39Å |
| 117 | L | 94 | Very high | 89.2 | Confident | 39 Ų | 39 | 58.4 Ų | 58.4 | 20% | 0.204 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -71.7 | -36.8 | 179.6 | -171.7 | 56.4 | 0 | 0 | 0 | 112.2 | C27 N114 L115 L120 F121 | C27-L117 HydrophobicContact CB-CD2 3.59Å; C27-L117 HydrophobicContact CB-CG 4.4Å; N114-L117 HydrophobicContact CB-CB 4.16Å; N114-L117 VanDerWaalsContact CG-CB 3.42Å; N114-L117 PolarHBondContact O-N 3.14Å; N114-L117 WeakPolarHBondContact OD1-CB 3.25Å; N114-L117 PolarHBondContact OD1-N 3.47Å; L115-L117 VanDerWaalsContact C-N 3.3Å; L115-L117 PolarHBondContact O-N 2.69Å; L117-L120 HydrophobicContact CD1-CD2 4.23Å; L117-L120 PolarHBondContact O-N 2.75Å; L117-F121 HydrophobicContact CD1-CD2 3.88Å; L117-F121 HydrophobicContact CD1-CE2 3.36Å; L117-F121 HydrophobicContact CD1-CZ 3.73Å; L117-F121 HydrophobicContact CD2-CE2 4.09Å; L117-F121 HydrophobicContact CG-CD2 3.85Å; L117-F121 HydrophobicContact CG-CE2 3.5Å; L117-F121 VanDerWaalsContact CG-CE2 3.5Å; L117-F121 HydrophobicContact CG-CZ 4.35Å; L117-F121 VanDerWaalsContact O-CD2 3.28Å; L117-F121 WeakPolarHBondContact O-CD2 3.26Å; L117-F121 PolarHBondContact O-N 3.34Å |
| 118 | Y | 93.5 | Very high | 90.4 | Very high | 49 Ų | 49 | 57.9 Ų | 57.9 | 19% | 0.192 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57 | -52.2 | 170 | 172.3 | -94.5 | 0 | 0 | 0 | 111.6 | V112 N114 L115 L120 F121 C122 Y240 | V112-Y118 HydrophobicContact CG1-CD2 4.09Å; V112-Y118 HydrophobicContact CG1-CG 4.03Å; V112-Y118 HydrophobicContact CG2-CD2 4.04Å; V112-Y118 HydrophobicContact CG2-CE2 4.42Å; N114-Y118 PolarHBondContact O-N 2.84Å; L115-Y118 WeakPolarHBondContact O-CB 3.3Å; L115-Y118 PolarHBondContact O-N 3.02Å; Y118-L120 VanDerWaalsContact C-N 3.32Å; Y118-L120 PolarHBondContact O-N 3.05Å; Y118-F121 PolarHBondContact O-N 2.56Å; Y118-C122 VanDerWaalsContact CE1-SG 3.59Å; Y118-C122 VanDerWaalsContact CZ-SG 3.55Å; Y118-C122 PolarHBondContact O-N 2.97Å; Y118-C122 PolarHBondContact O-SG 3.21Å; Y118-C122 VanDerWaalsContact O-SG 3.34Å; Y118-Y240 WeakPolarHBondContact CA-OH 3.49Å; Y118-Y240 WeakPolarHBondContact CB-OH 3.35Å; Y118-Y240 AromaticContact CD2-CE1 3.98Å; Y118-Y240 HydrophobicContact CD2-CE1 3.98Å |
| 119 | Y | 94.8 | Very high | 91.5 | Very high | 149 Ų | 149 | 54.7 Ų | 54.7 | 58% | 0.584 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -64.4 | -35.7 | 179.1 | -71 | -60.5 | 0 | 0 | 0 | 112.6 | L115 P116 C122 F123 | L115-Y119 HydrophobicContact CB-CE2 4.33Å; L115-Y119 WeakPolarHBondContact O-CD2 3.48Å; L115-Y119 PolarHBondContact O-N 3.32Å; P116-Y119 PolarHBondContact O-N 2.95Å; Y119-C122 PolarHBondContact O-N 2.92Å; Y119-F123 WeakPolarHBondContact O-CB 3.39Å; Y119-F123 PolarHBondContact O-N 2.74Å |
| 120 | L | 96.5 | Very high | 92.5 | Very high | 83 Ų | 83 | 53.1 Ų | 53.1 | 44% | 0.435 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 173.7 | -179.5 | 61.2 | 0 | 0 | 0 | 111.8 | P116 L117 Y118 F123 G124 L233 | P116-L120 WeakPolarHBondContact O-CB 3.41Å; P116-L120 PolarHBondContact O-N 3.39Å; L117-L120 HydrophobicContact CD1-CD2 4.23Å; L117-L120 PolarHBondContact O-N 2.75Å; Y118-L120 VanDerWaalsContact C-N 3.32Å; Y118-L120 PolarHBondContact O-N 3.05Å; L120-F123 PolarHBondContact O-N 3.26Å; L120-G124 PolarHBondContact O-N 2.83Å; L120-L233 HydrophobicContact CD1-CD1 3.67Å; L120-L233 HydrophobicContact CD1-CD2 4.4Å; L120-L233 HydrophobicContact CG-CD1 3.74Å |
| 121 | F | 95.9 | Very high | 93.2 | Very high | 12 Ų | 12 | 57.4 Ų | 57.4 | 5% | 0.053 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -77 | -25.5 | 177 | -68 | -47.2 | 0 | 0 | 0 | 114 | F23 C27 L117 Y118 G124 T125 L236 S237 Y240 M241 | F23-F121 HydrophobicContact CE1-CZ 4.39Å; F23-F121 HydrophobicContact CZ-CE2 4.43Å; F23-F121 AromaticContact CZ-CZ 3.96Å; F23-F121 HydrophobicContact CZ-CZ 3.96Å; C27-F121 HydrophobicContact CB-CE2 4.33Å; L117-F121 HydrophobicContact CD1-CD2 3.88Å; L117-F121 HydrophobicContact CD1-CE2 3.36Å; L117-F121 HydrophobicContact CD1-CZ 3.73Å; L117-F121 HydrophobicContact CD2-CE2 4.09Å; L117-F121 HydrophobicContact CG-CD2 3.85Å; L117-F121 HydrophobicContact CG-CE2 3.5Å; L117-F121 VanDerWaalsContact CG-CE2 3.5Å; L117-F121 HydrophobicContact CG-CZ 4.35Å; L117-F121 VanDerWaalsContact O-CD2 3.28Å; L117-F121 WeakPolarHBondContact O-CD2 3.26Å; L117-F121 PolarHBondContact O-N 3.34Å; Y118-F121 PolarHBondContact O-N 2.56Å; F121-G124 CarbonylContact O-C 3.6Å; F121-T125 WeakPolarHBondContact O-CB 3.24Å; F121-T125 PolarHBondContact O-N 3.27Å; F121-T125 PolarHBondContact O-OG1 3.09Å; F121-L236 HydrophobicContact CD1-CB 4.49Å; F121-L236 HydrophobicContact CE1-CB 3.61Å; F121-L236 HydrophobicContact CZ-CB 4.18Å; F121-S237 WeakPolarHBondContact O-CB 3.15Å; F121-Y240 HydrophobicContact CB-CD1 3.46Å; F121-Y240 VanDerWaalsContact CB-CD1 3.46Å; F121-Y240 HydrophobicContact CB-CE1 4.01Å; F121-Y240 HydrophobicContact CB-CG 3.87Å; F121-Y240 AromaticContact CD2-CD1 3.58Å; F121-Y240 HydrophobicContact CD2-CD1 3.58Å; F121-Y240 AromaticContact CD2-CD2 3.3Å; F121-Y240 HydrophobicContact CD2-CD2 3.3Å; F121-Y240 HydrophobicContact CD2-CE1 4.02Å; F121-Y240 AromaticContact CD2-CE2 3.77Å; F121-Y240 HydrophobicContact CD2-CE2 3.77Å; F121-Y240 AromaticContact CD2-CG 3.18Å; F121-Y240 HydrophobicContact CD2-CG 3.18Å; F121-Y240 AromaticContact CE2-CD2 3.55Å; F121-Y240 HydrophobicContact CE2-CD2 3.55Å; F121-Y240 HydrophobicContact CE2-CE2 4.15Å; F121-Y240 AromaticContact CE2-CG 3.79Å; F121-Y240 HydrophobicContact CE2-CG 3.79Å; F121-Y240 AromaticContact CG-CD1 3.87Å; F121-Y240 HydrophobicContact CG-CD1 3.87Å; F121-Y240 HydrophobicContact CG-CD2 4.29Å; F121-Y240 AromaticContact CG-CG 3.73Å; F121-Y240 HydrophobicContact CG-CG 3.73Å; F121-M241 VanDerWaalsContact C-CE 3.43Å; F121-M241 HydrophobicContact CB-CE 4.18Å; F121-M241 VanDerWaalsContact O-CE 3.32Å; F121-M241 WeakPolarHBondContact O-CE 3.45Å |
| 122 | C | 94.2 | Very high | 93.6 | Very high | 28 Ų | 28 | 54.3 Ų | 54.3 | 19% | 0.189 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.3 | -53.9 | 165 | -71.3 | 0 | 0 | 0 | 0 | 110 | Y118 Y119 G124 T125 E126 M241 | Y118-C122 VanDerWaalsContact CE1-SG 3.59Å; Y118-C122 VanDerWaalsContact CZ-SG 3.55Å; Y118-C122 PolarHBondContact O-N 2.97Å; Y118-C122 PolarHBondContact O-SG 3.21Å; Y118-C122 VanDerWaalsContact O-SG 3.34Å; Y119-C122 PolarHBondContact O-N 2.92Å; C122-G124 VanDerWaalsContact C-N 3.33Å; C122-G124 PolarHBondContact O-N 3.38Å; C122-T125 WeakPolarHBondContact O-CA 3.45Å; C122-T125 WeakPolarHBondContact O-CB 3.1Å; C122-T125 PolarHBondContact O-N 3.16Å; C122-E126 PolarHBondContact O-N 2.87Å; C122-M241 HydrophobicContact CB-CE 4.34Å |
| 123 | F | 95.6 | Very high | 94 | Very high | 122 Ų | 122 | 53.9 Ų | 53.9 | 54% | 0.535 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -56.9 | -46 | 176.3 | 176.2 | -108.2 | 0 | 0 | 0 | 111.8 | Y119 L120 T125 E126 L127 L233 | Y119-F123 WeakPolarHBondContact O-CB 3.39Å; Y119-F123 PolarHBondContact O-N 2.74Å; L120-F123 PolarHBondContact O-N 3.26Å; F123-T125 PolarHBondContact O-N 3.17Å; F123-T125 VanDerWaalsContact O-N 3.17Å; F123-E126 PolarHBondContact O-N 3.06Å; F123-L127 HydrophobicContact CE1-CD1 4.06Å; F123-L127 HydrophobicContact CE1-CG 4.43Å; F123-L127 HydrophobicContact CE2-CD2 4.32Å; F123-L127 HydrophobicContact CZ-CD1 4.37Å; F123-L127 HydrophobicContact CZ-CD2 4.04Å; F123-L127 HydrophobicContact CZ-CG 4.37Å; F123-L127 WeakPolarHBondContact O-CG 3.1Å; F123-L127 PolarHBondContact O-N 3.08Å; F123-L233 HydrophobicContact CD1-CD2 4.05Å; F123-L233 HydrophobicContact CE1-CD2 4.19Å |
| 124 | G | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.7 | -12 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L120 F121 C122 V234 S237 | L120-G124 PolarHBondContact O-N 2.83Å; F121-G124 CarbonylContact O-C 3.6Å; C122-G124 VanDerWaalsContact C-N 3.33Å; C122-G124 PolarHBondContact O-N 3.38Å; G124-V234 WeakPolarHBondContact O-CA 3.42Å; G124-S237 VanDerWaalsContact C-OG 3.23Å; G124-S237 PolarHBondContact O-OG 3.21Å |
| 125 | T | 94.4 | Very high | 94.5 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -90.4 | -43.4 | 169.8 | -63.9 | 0 | 0 | 0 | 0 | 110.5 | F121 C122 F123 L127 G128 E184 S237 R238 M241 | F121-T125 WeakPolarHBondContact O-CB 3.24Å; F121-T125 PolarHBondContact O-N 3.27Å; F121-T125 PolarHBondContact O-OG1 3.09Å; C122-T125 WeakPolarHBondContact O-CA 3.45Å; C122-T125 WeakPolarHBondContact O-CB 3.1Å; C122-T125 PolarHBondContact O-N 3.16Å; F123-T125 PolarHBondContact O-N 3.17Å; F123-T125 VanDerWaalsContact O-N 3.17Å; T125-L127 PolarHBondContact O-N 3.34Å; T125-G128 PolarHBondContact O-N 2.95Å; T125-E184 WeakPolarHBondContact CG2-OE1 3.48Å; T125-S237 WeakPolarHBondContact OG1-CB 3.32Å; T125-S237 PolarHBondContact OG1-OG 2.83Å; T125-R238 VanDerWaalsContact CG2-NH1 3.26Å; T125-M241 WeakPolarHBondContact OG1-CG 3.46Å |
| 126 | E | 95 | Very high | 94.7 | Very high | 74 Ų | 74 | 49.2 Ų | 49.2 | 35% | 0.346 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.1 | -30.5 | 179.2 | -62.6 | -58.6 | 166.4 | 0 | 0 | 112.7 | C122 F123 G128 N129 F132 | C122-E126 PolarHBondContact O-N 2.87Å; F123-E126 PolarHBondContact O-N 3.06Å; E126-G128 PolarHBondContact O-N 3.45Å; E126-N129 PolarHBondContact O-N 3.33Å; E126-N129 PolarHBondContact OE2-ND2 2.93Å; E126-F132 WeakPolarHBondContact O-CB 3.49Å |
| 127 | L | 95.7 | Very high | 94.9 | Very high | 12 Ų | 12 | 44.7 Ų | 44.7 | 6% | 0.063 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -7.7 | 171.2 | -67.2 | -179.9 | 0 | 0 | 0 | 114.8 | F123 T125 F132 W230 L233 V234 | F123-L127 HydrophobicContact CE1-CD1 4.06Å; F123-L127 HydrophobicContact CE1-CG 4.43Å; F123-L127 HydrophobicContact CE2-CD2 4.32Å; F123-L127 HydrophobicContact CZ-CD1 4.37Å; F123-L127 HydrophobicContact CZ-CD2 4.04Å; F123-L127 HydrophobicContact CZ-CG 4.37Å; F123-L127 WeakPolarHBondContact O-CG 3.1Å; F123-L127 PolarHBondContact O-N 3.08Å; T125-L127 PolarHBondContact O-N 3.34Å; L127-F132 HydrophobicContact CD2-CD2 3.68Å; L127-F132 HydrophobicContact CD2-CE2 3.76Å; L127-F132 HydrophobicContact CD2-CG 4.32Å; L127-F132 HydrophobicContact CD2-CZ 4.47Å; L127-F132 WeakPolarHBondContact O-CD1 3.34Å; L127-W230 HydrophobicContact CB-CZ2 4.41Å; L127-W230 HydrophobicContact CD1-CD2 4.38Å; L127-W230 HydrophobicContact CD1-CZ2 4.24Å; L127-W230 HydrophobicContact CD2-CH2 4.06Å; L127-W230 HydrophobicContact CD2-CZ2 3.87Å; L127-W230 HydrophobicContact CG-CZ2 4.4Å; L127-L233 HydrophobicContact CD1-CD2 4.14Å; L127-V234 HydrophobicContact CB-CG2 3.9Å; L127-V234 HydrophobicContact CD1-CG2 4.12Å |
| 128 | G | 92.7 | Very high | 95 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | 4.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | T125 E126 Y133 | T125-G128 PolarHBondContact O-N 2.95Å; E126-G128 PolarHBondContact O-N 3.45Å; G128-Y133 VanDerWaalsContact C-OH 3.26Å; G128-Y133 VanDerWaalsContact CA-OH 3.3Å; G128-Y133 WeakPolarHBondContact CA-OH 3.5Å; G128-Y133 WeakPolarHBondContact O-CE2 3.47Å; G128-Y133 VanDerWaalsContact O-CZ 3.32Å; G128-Y133 PolarHBondContact O-OH 3.3Å |
| 129 | N | 91.9 | Very high | 95.2 | Very high | 14 Ų | 14 | 44.5 Ų | 44.5 | 8% | 0.075 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -102.2 | 165.5 | -173.9 | -69.1 | -11.5 | 0 | 0 | 0 | 113.2 | E126 L131 F132 Y133 Y187 H197 | E126-N129 PolarHBondContact O-N 3.33Å; E126-N129 PolarHBondContact OE2-ND2 2.93Å; N129-L131 PolarHBondContact O-N 2.81Å; N129-L131 VanDerWaalsContact O-N 3.13Å; N129-F132 PolarHBondContact O-N 3.44Å; N129-Y133 VanDerWaalsContact O-CD2 3.22Å; N129-Y133 WeakPolarHBondContact O-CD2 3.42Å; N129-Y133 PolarHBondContact O-N 2.94Å; N129-Y187 PolarHBondContact OD1-OH 3.02Å; N129-H197 PolarHBondContact OD1-NE2 3.09Å |
| 130 | E | 91.9 | Very high | 95.2 | Very high | 71 Ų | 71 | 38.4 Ų | 38.4 | 33% | 0.332 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -44.9 | -46.7 | 176.4 | -175.4 | -160.9 | 176.5 | 0 | 0 | 112 | F132 Y133 I134 R369 Y409 | E130-F132 VanDerWaalsContact C-N 3.29Å; E130-F132 PolarHBondContact O-N 2.86Å; E130-Y133 PolarHBondContact O-N 3.48Å; E130-I134 WeakPolarHBondContact O-CB 3.2Å; E130-I134 WeakPolarHBondContact O-CG2 3.25Å; E130-I134 PolarHBondContact O-N 3.38Å; E130-R369 IonicContact OE1-CZ 3.15Å; E130-R369 IonicContact OE1-NH1 2.75Å; E130-R369 PolarHBondContact OE1-NH1 3.26Å; E130-R369 IonicContact OE2-NH1 2.76Å; E130-Y409 WeakPolarHBondContact OE1-CE1 3.12Å; E130-Y409 VanDerWaalsContact OE1-CZ 3.31Å; E130-Y409 PolarHBondContact OE1-OH 3.16Å |
| 131 | L | 92.3 | Very high | 95.1 | Very high | 106 Ų | 106 | 35.1 Ų | 35.1 | 56% | 0.555 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -62.3 | -32.8 | -174.7 | -176.5 | 60.7 | 0 | 0 | 0 | 113.2 | N129 I135 | N129-L131 PolarHBondContact O-N 2.81Å; N129-L131 VanDerWaalsContact O-N 3.13Å; L131-I135 HydrophobicContact CD1-CD1 3.97Å; L131-I135 HydrophobicContact CG-CD1 4.4Å; L131-I135 WeakPolarHBondContact O-CD1 3.25Å; L131-I135 WeakPolarHBondContact O-CG1 3.21Å |
| 132 | F | 96 | Very high | 95.1 | Very high | 31 Ų | 31 | 35.3 Ų | 35.3 | 14% | 0.136 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -72.5 | -51 | 172.9 | 168.3 | -104.6 | 0 | 0 | 0 | 110.8 | E126 L127 N129 E130 I134 I135 F136 I204 W230 | E126-F132 WeakPolarHBondContact O-CB 3.49Å; L127-F132 HydrophobicContact CD2-CD2 3.68Å; L127-F132 HydrophobicContact CD2-CE2 3.76Å; L127-F132 HydrophobicContact CD2-CG 4.32Å; L127-F132 HydrophobicContact CD2-CZ 4.47Å; L127-F132 WeakPolarHBondContact O-CD1 3.34Å; N129-F132 PolarHBondContact O-N 3.44Å; E130-F132 VanDerWaalsContact C-N 3.29Å; E130-F132 PolarHBondContact O-N 2.86Å; F132-I134 VanDerWaalsContact C-N 3.34Å; F132-I134 PolarHBondContact O-N 2.88Å; F132-I135 PolarHBondContact O-N 2.81Å; F132-I135 VanDerWaalsContact O-N 3.1Å; F132-F136 HydrophobicContact CD1-CB 4.42Å; F132-F136 HydrophobicContact CD2-CB 4.03Å; F132-F136 HydrophobicContact CE1-CB 4.01Å; F132-F136 HydrophobicContact CE1-CD1 4.06Å; F132-F136 AromaticContact CE1-CG 3.95Å; F132-F136 HydrophobicContact CE1-CG 3.95Å; F132-F136 HydrophobicContact CE2-CB 3.58Å; F132-F136 AromaticContact CE2-CD2 3.69Å; F132-F136 HydrophobicContact CE2-CD2 3.69Å; F132-F136 AromaticContact CE2-CG 3.7Å; F132-F136 HydrophobicContact CE2-CG 3.7Å; F132-F136 HydrophobicContact CG-CB 4.42Å; F132-F136 HydrophobicContact CZ-CB 3.54Å; F132-F136 AromaticContact CZ-CD1 3.75Å; F132-F136 HydrophobicContact CZ-CD1 3.75Å; F132-F136 AromaticContact CZ-CD2 3.48Å; F132-F136 HydrophobicContact CZ-CD2 3.48Å; F132-F136 VanDerWaalsContact CZ-CD2 3.48Å; F132-F136 HydrophobicContact CZ-CE1 4.33Å; F132-F136 HydrophobicContact CZ-CE2 4.1Å; F132-F136 AromaticContact CZ-CG 3.28Å; F132-F136 HydrophobicContact CZ-CG 3.28Å; F132-F136 HydrophobicContact CZ-CZ 4.49Å; F132-F136 WeakPolarHBondContact O-CB 3.26Å; F132-F136 PolarHBondContact O-N 3.07Å; F132-I204 HydrophobicContact CE1-CD1 4.03Å; F132-W230 HydrophobicContact CE1-CZ2 4.04Å; F132-W230 AromaticContact CE2-CH2 3.72Å; F132-W230 HydrophobicContact CE2-CH2 3.72Å; F132-W230 AromaticContact CE2-CZ2 3.89Å; F132-W230 HydrophobicContact CE2-CZ2 3.89Å; F132-W230 AromaticContact CZ-CH2 3.52Å; F132-W230 HydrophobicContact CZ-CH2 3.52Å; F132-W230 AromaticContact CZ-CZ2 3.4Å; F132-W230 HydrophobicContact CZ-CZ2 3.4Å; F132-W230 VanDerWaalsContact CZ-CZ2 3.4Å |
| 133 | Y | 96.4 | Very high | 95.1 | Very high | 17 Ų | 17 | 35.4 Ų | 35.4 | 7% | 0.067 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.5 | -41.5 | -176.5 | -55.6 | -49.4 | 0 | 0 | 0 | 112.7 | G128 N129 E130 I135 F137 W156 S200 I204 | G128-Y133 VanDerWaalsContact C-OH 3.26Å; G128-Y133 VanDerWaalsContact CA-OH 3.3Å; G128-Y133 WeakPolarHBondContact CA-OH 3.5Å; G128-Y133 WeakPolarHBondContact O-CE2 3.47Å; G128-Y133 VanDerWaalsContact O-CZ 3.32Å; G128-Y133 PolarHBondContact O-OH 3.3Å; N129-Y133 VanDerWaalsContact O-CD2 3.22Å; N129-Y133 WeakPolarHBondContact O-CD2 3.42Å; N129-Y133 PolarHBondContact O-N 2.94Å; E130-Y133 PolarHBondContact O-N 3.48Å; Y133-I135 PolarHBondContact O-N 3.3Å; Y133-F137 AromaticContact CD1-CE2 3.75Å; Y133-F137 HydrophobicContact CD1-CE2 3.75Å; Y133-F137 HydrophobicContact CD1-CZ 4.13Å; Y133-F137 HydrophobicContact CG-CE2 4.05Å; Y133-F137 WeakPolarHBondContact O-CD2 3.49Å; Y133-F137 PolarHBondContact O-N 3.33Å; Y133-W156 HydrophobicContact CD1-CZ2 4.47Å; Y133-W156 AromaticContact CD1-NE1 3.45Å; Y133-W156 AromaticContact CD2-CE2 4Å; Y133-W156 AromaticContact CD2-CZ2 3.7Å; Y133-W156 HydrophobicContact CD2-CZ2 3.7Å; Y133-W156 AromaticContact CD2-NE1 3.8Å; Y133-W156 AromaticContact CE1-CD1 3.7Å; Y133-W156 AromaticContact CE1-NE1 3.2Å; Y133-W156 HydrophobicContact CE2-CZ2 4.09Å; Y133-W156 AromaticContact CE2-NE1 3.57Å; Y133-W156 AromaticContact CG-CE2 3.96Å; Y133-W156 AromaticContact CG-CZ2 3.92Å; Y133-W156 HydrophobicContact CG-CZ2 3.92Å; Y133-W156 AromaticContact CG-NE1 3.76Å; Y133-W156 AromaticContact CZ-NE1 3.27Å; Y133-W156 VanDerWaalsContact CZ-NE1 3.27Å; Y133-S200 WeakPolarHBondContact OH-CB 3.41Å; Y133-S200 PolarHBondContact OH-OG 2.96Å; Y133-I204 HydrophobicContact CD1-CD1 4.26Å; Y133-I204 HydrophobicContact CE1-CD1 3.79Å |
| 134 | I | 94.5 | Very high | 94.9 | Very high | 18 Ų | 18 | 33.5 Ų | 33.5 | 9% | 0.092 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -70.4 | -11.8 | 179.8 | -155.9 | 173.1 | 0 | 0 | 0 | 113.5 | E130 F132 P138 M362 V365 | E130-I134 WeakPolarHBondContact O-CB 3.2Å; E130-I134 WeakPolarHBondContact O-CG2 3.25Å; E130-I134 PolarHBondContact O-N 3.38Å; F132-I134 VanDerWaalsContact C-N 3.34Å; F132-I134 PolarHBondContact O-N 2.88Å; I134-P138 WeakPolarHBondContact O-CG 3.23Å; I134-M362 HydrophobicContact CG1-CE 4.45Å; I134-M362 HydrophobicContact CG2-CE 4.43Å; I134-M362 WeakPolarHBondContact O-CE 3.49Å; I134-M362 VanDerWaalsContact O-SD 3.37Å; I134-V365 HydrophobicContact CD1-CG1 3.8Å; I134-V365 HydrophobicContact CG1-CG1 3.89Å |
| 135 | I | 95.8 | Very high | 94.7 | Very high | 78 Ų | 78 | 33.7 Ų | 33.7 | 40% | 0.4 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -104.1 | -43.9 | 173.1 | -64.3 | 173.5 | 0 | 0 | 0 | 110.5 | L131 F132 Y133 F139 M362 | L131-I135 HydrophobicContact CD1-CD1 3.97Å; L131-I135 HydrophobicContact CG-CD1 4.4Å; L131-I135 WeakPolarHBondContact O-CD1 3.25Å; L131-I135 WeakPolarHBondContact O-CG1 3.21Å; F132-I135 PolarHBondContact O-N 2.81Å; F132-I135 VanDerWaalsContact O-N 3.1Å; Y133-I135 PolarHBondContact O-N 3.3Å; I135-F139 WeakPolarHBondContact O-CB 3.35Å; I135-F139 PolarHBondContact O-N 3.47Å; I135-M362 HydrophobicContact CG1-CE 4Å; I135-M362 HydrophobicContact CG1-SD 4.5Å |
| 136 | F | 97.1 | Very high | 94.7 | Very high | 23 Ų | 23 | 35.6 Ų | 35.6 | 10% | 0.101 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.1 | -51.7 | -172.3 | 176.3 | -102 | 0 | 0 | 0 | 113.5 | F132 F139 W140 L152 I204 M208 | F132-F136 HydrophobicContact CD1-CB 4.42Å; F132-F136 HydrophobicContact CD2-CB 4.03Å; F132-F136 HydrophobicContact CE1-CB 4.01Å; F132-F136 HydrophobicContact CE1-CD1 4.06Å; F132-F136 AromaticContact CE1-CG 3.95Å; F132-F136 HydrophobicContact CE1-CG 3.95Å; F132-F136 HydrophobicContact CE2-CB 3.58Å; F132-F136 AromaticContact CE2-CD2 3.69Å; F132-F136 HydrophobicContact CE2-CD2 3.69Å; F132-F136 AromaticContact CE2-CG 3.7Å; F132-F136 HydrophobicContact CE2-CG 3.7Å; F132-F136 HydrophobicContact CG-CB 4.42Å; F132-F136 HydrophobicContact CZ-CB 3.54Å; F132-F136 AromaticContact CZ-CD1 3.75Å; F132-F136 HydrophobicContact CZ-CD1 3.75Å; F132-F136 AromaticContact CZ-CD2 3.48Å; F132-F136 HydrophobicContact CZ-CD2 3.48Å; F132-F136 VanDerWaalsContact CZ-CD2 3.48Å; F132-F136 HydrophobicContact CZ-CE1 4.33Å; F132-F136 HydrophobicContact CZ-CE2 4.1Å; F132-F136 AromaticContact CZ-CG 3.28Å; F132-F136 HydrophobicContact CZ-CG 3.28Å; F132-F136 HydrophobicContact CZ-CZ 4.49Å; F132-F136 WeakPolarHBondContact O-CB 3.26Å; F132-F136 PolarHBondContact O-N 3.07Å; F136-F139 PolarHBondContact O-N 3.06Å; F136-W140 HydrophobicContact CE1-CE3 4.41Å; F136-W140 AromaticContact CE2-CE3 3.85Å; F136-W140 HydrophobicContact CE2-CE3 3.85Å; F136-W140 HydrophobicContact CE2-CZ3 4.15Å; F136-W140 AromaticContact CZ-CE3 3.6Å; F136-W140 HydrophobicContact CZ-CE3 3.6Å; F136-W140 AromaticContact CZ-CZ3 3.9Å; F136-W140 HydrophobicContact CZ-CZ3 3.9Å; F136-W140 WeakPolarHBondContact O-CB 3.28Å; F136-W140 PolarHBondContact O-N 2.94Å; F136-L152 HydrophobicContact CE1-CD1 4.31Å; F136-L152 HydrophobicContact CZ-CD1 4.42Å; F136-I204 HydrophobicContact CE1-CG2 3.7Å; F136-I204 HydrophobicContact CZ-CG2 3.82Å; F136-M208 HydrophobicContact CE2-SD 4.26Å; F136-M208 HydrophobicContact CZ-CG 4.35Å; F136-M208 HydrophobicContact CZ-SD 3.71Å |
| 137 | F | 97.4 | Very high | 94.7 | Very high | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65 | -43.8 | -179.5 | -59.4 | -57.6 | 0 | 0 | 0 | 111.9 | Y133 W140 I141 L152 V153 W156 I204 | Y133-F137 AromaticContact CD1-CE2 3.75Å; Y133-F137 HydrophobicContact CD1-CE2 3.75Å; Y133-F137 HydrophobicContact CD1-CZ 4.13Å; Y133-F137 HydrophobicContact CG-CE2 4.05Å; Y133-F137 WeakPolarHBondContact O-CD2 3.49Å; Y133-F137 PolarHBondContact O-N 3.33Å; F137-W140 PolarHBondContact O-N 3.28Å; F137-I141 WeakPolarHBondContact O-CD1 3.09Å; F137-I141 VanDerWaalsContact O-CG1 3.25Å; F137-I141 WeakPolarHBondContact O-CG1 3.37Å; F137-I141 PolarHBondContact O-N 3.31Å; F137-L152 HydrophobicContact CD1-CB 4.38Å; F137-L152 HydrophobicContact CE1-CB 4.09Å; F137-V153 HydrophobicContact CB-CG2 3.93Å; F137-V153 HydrophobicContact CD1-CG2 3.6Å; F137-V153 HydrophobicContact CD2-CG2 4.09Å; F137-V153 HydrophobicContact CE1-CG2 4.09Å; F137-V153 HydrophobicContact CG-CG2 3.61Å; F137-W156 HydrophobicContact CE1-CB 4.42Å; F137-W156 HydrophobicContact CE2-CB 4.42Å; F137-W156 AromaticContact CE2-CD2 3.7Å; F137-W156 HydrophobicContact CE2-CD2 3.7Å; F137-W156 HydrophobicContact CE2-CE3 4.01Å; F137-W156 AromaticContact CE2-CG 3.89Å; F137-W156 HydrophobicContact CE2-CG 3.89Å; F137-W156 HydrophobicContact CZ-CB 3.68Å; F137-W156 AromaticContact CZ-CD1 3.9Å; F137-W156 AromaticContact CZ-CD2 3.87Å; F137-W156 HydrophobicContact CZ-CD2 3.87Å; F137-W156 HydrophobicContact CZ-CE3 4.39Å; F137-W156 AromaticContact CZ-CG 3.53Å; F137-W156 HydrophobicContact CZ-CG 3.53Å; F137-I204 HydrophobicContact CZ-CD1 4.23Å |
| 138 | P | 97 | Very high | 94.7 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64 | -41.5 | 173.7 | -24.7 | 37.4 | 0 | 0 | 0 | 113.4 | I134 W140 I141 W142 I416 | I134-P138 WeakPolarHBondContact O-CG 3.23Å; P138-W140 VanDerWaalsContact C-N 3.27Å; P138-W140 PolarHBondContact O-N 3.21Å; P138-I141 PolarHBondContact O-N 3.09Å; P138-W142 HydrophobicContact CB-CD2 3.96Å; P138-W142 HydrophobicContact CB-CE3 3.82Å; P138-W142 HydrophobicContact CB-CH2 3.48Å; P138-W142 VanDerWaalsContact CB-CH2 3.48Å; P138-W142 HydrophobicContact CB-CZ2 3.63Å; P138-W142 HydrophobicContact CB-CZ3 3.57Å; P138-W142 HydrophobicContact CG-CH2 4.43Å; P138-W142 VanDerWaalsContact O-CB 3.28Å; P138-W142 WeakPolarHBondContact O-CB 3.42Å; P138-W142 VanDerWaalsContact O-CD2 3.24Å; P138-W142 PolarHBondContact O-N 3.34Å; P138-I416 HydrophobicContact CB-CG1 4.39Å; P138-I416 HydrophobicContact CB-CG2 3.98Å; P138-I416 HydrophobicContact CG-CD1 3.7Å; P138-I416 HydrophobicContact CG-CG1 3.86Å; P138-I416 HydrophobicContact CG-CG2 3.85Å |
| 139 | F | 96.6 | Very high | 94.9 | Very high | 83 Ų | 83 | 33.2 Ų | 33.2 | 36% | 0.364 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -55.8 | -44.7 | 174.5 | 176 | -94.3 | 0 | 0 | 0 | 111.6 | I135 F136 N143 L144 V358 | I135-F139 WeakPolarHBondContact O-CB 3.35Å; I135-F139 PolarHBondContact O-N 3.47Å; F136-F139 PolarHBondContact O-N 3.06Å; F139-N143 HydrophobicContact CE2-CB 4.33Å; F139-N143 WeakPolarHBondContact O-CB 3.43Å; F139-N143 PolarHBondContact O-N 3.05Å; F139-N143 PolarHBondContact O-ND2 2.79Å; F139-L144 HydrophobicContact CD1-CD1 4.36Å; F139-L144 HydrophobicContact CE1-CD1 3.95Å; F139-L144 HydrophobicContact CE1-CG 4.13Å; F139-V358 HydrophobicContact CD2-CG2 3.71Å; F139-V358 HydrophobicContact CE2-CG2 4.32Å |
| 140 | W | 95.5 | Very high | 95.1 | Very high | 20 Ų | 20 | 33.1 Ų | 33.1 | 8% | 0.076 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.4 | -47.5 | 178.9 | -161.1 | -66 | 0 | 0 | 0 | 112.4 | F136 F137 P138 L144 D145 V148 L152 M208 T212 | F136-W140 HydrophobicContact CE1-CE3 4.41Å; F136-W140 AromaticContact CE2-CE3 3.85Å; F136-W140 HydrophobicContact CE2-CE3 3.85Å; F136-W140 HydrophobicContact CE2-CZ3 4.15Å; F136-W140 AromaticContact CZ-CE3 3.6Å; F136-W140 HydrophobicContact CZ-CE3 3.6Å; F136-W140 AromaticContact CZ-CZ3 3.9Å; F136-W140 HydrophobicContact CZ-CZ3 3.9Å; F136-W140 WeakPolarHBondContact O-CB 3.28Å; F136-W140 PolarHBondContact O-N 2.94Å; F137-W140 PolarHBondContact O-N 3.28Å; P138-W140 VanDerWaalsContact C-N 3.27Å; P138-W140 PolarHBondContact O-N 3.21Å; W140-L144 HydrophobicContact CD2-CB 4.47Å; W140-L144 HydrophobicContact CD2-CD1 3.74Å; W140-L144 HydrophobicContact CE3-CD1 3.75Å; W140-L144 HydrophobicContact CG-CB 4.36Å; W140-L144 HydrophobicContact CG-CD1 4.21Å; W140-L144 HydrophobicContact CH2-CD1 4.3Å; W140-L144 HydrophobicContact CZ2-CD1 4.3Å; W140-L144 HydrophobicContact CZ3-CD1 4.04Å; W140-L144 PolarHBondContact O-N 3.47Å; W140-L144 VanDerWaalsContact O-N 3.08Å; W140-D145 VanDerWaalsContact CD1-O 3.22Å; W140-D145 PolarHBondContact NE1-O 2.89Å; W140-D145 PolarHBondContact O-N 2.74Å; W140-V148 HydrophobicContact CZ2-CB 4.39Å; W140-V148 HydrophobicContact CZ2-CG1 3.62Å; W140-L152 HydrophobicContact CD2-CD1 3.72Å; W140-L152 HydrophobicContact CE3-CD1 3.91Å; W140-L152 HydrophobicContact CG-CD1 4.21Å; W140-L152 HydrophobicContact CH2-CD1 4.38Å; W140-L152 HydrophobicContact CZ2-CD1 4.2Å; W140-L152 HydrophobicContact CZ3-CD1 4.24Å; W140-M208 HydrophobicContact CH2-CB 4.26Å; W140-M208 HydrophobicContact CH2-CE 3.93Å; W140-M208 HydrophobicContact CH2-CG 3.78Å; W140-M208 HydrophobicContact CH2-SD 4.37Å; W140-M208 HydrophobicContact CZ3-CE 3.69Å; W140-M208 HydrophobicContact CZ3-CG 3.76Å; W140-M208 HydrophobicContact CZ3-SD 3.88Å; W140-T212 HydrophobicContact CH2-CG2 4.31Å; W140-T212 HydrophobicContact CZ2-CG2 3.76Å |
| 141 | I | 95.4 | Very high | 95.3 | Very high | 14 Ų | 14 | 30.1 Ų | 30.1 | 7% | 0.072 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.2 | -38.4 | -178.7 | -67.5 | 163.7 | 0 | 0 | 0 | 111 | F137 P138 I416 T417 | F137-I141 WeakPolarHBondContact O-CD1 3.09Å; F137-I141 VanDerWaalsContact O-CG1 3.25Å; F137-I141 WeakPolarHBondContact O-CG1 3.37Å; F137-I141 PolarHBondContact O-N 3.31Å; P138-I141 PolarHBondContact O-N 3.09Å; I141-I416 HydrophobicContact CD1-CG2 3.94Å; I141-T417 HydrophobicContact CD1-CG2 3.99Å; I141-T417 HydrophobicContact CG2-CG2 4.47Å |
| 142 | W | 95.2 | Very high | 95.6 | Very high | 17 Ų | 17 | 25.1 Ų | 25.1 | 6% | 0.064 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -87.9 | -21.1 | -174.6 | -57.8 | -25.1 | 0 | 0 | 0 | 114.8 | P138 R357 G361 M362 V365 I416 I420 F424 | P138-W142 HydrophobicContact CB-CD2 3.96Å; P138-W142 HydrophobicContact CB-CE3 3.82Å; P138-W142 HydrophobicContact CB-CH2 3.48Å; P138-W142 VanDerWaalsContact CB-CH2 3.48Å; P138-W142 HydrophobicContact CB-CZ2 3.63Å; P138-W142 HydrophobicContact CB-CZ3 3.57Å; P138-W142 HydrophobicContact CG-CH2 4.43Å; P138-W142 VanDerWaalsContact O-CB 3.28Å; P138-W142 WeakPolarHBondContact O-CB 3.42Å; P138-W142 VanDerWaalsContact O-CD2 3.24Å; P138-W142 PolarHBondContact O-N 3.34Å; W142-R357 HydrophobicContact CB-CB 4.47Å; W142-R357 WeakPolarHBondContact O-CD 3.28Å; W142-R357 PolarHBondContact O-NH1 2.87Å; W142-G361 VanDerWaalsContact CH2-CA 3.44Å; W142-M362 HydrophobicContact CH2-SD 4.39Å; W142-M362 HydrophobicContact CZ3-CG 4.46Å; W142-M362 HydrophobicContact CZ3-SD 4.27Å; W142-V365 HydrophobicContact CH2-CG2 3.99Å; W142-V365 HydrophobicContact CZ2-CG2 4.35Å; W142-I416 HydrophobicContact CZ2-CB 4.43Å; W142-I416 HydrophobicContact CZ2-CG1 4.19Å; W142-I416 HydrophobicContact CZ2-CG2 4.32Å; W142-I416 PolarHBondContact NE1-O 3.37Å; W142-I420 HydrophobicContact CH2-CD1 4.26Å; W142-I420 HydrophobicContact CH2-CG2 4.22Å; W142-I420 HydrophobicContact CZ2-CB 4.09Å; W142-I420 HydrophobicContact CZ2-CD1 3.83Å; W142-I420 HydrophobicContact CZ2-CG2 3.57Å; W142-F424 HydrophobicContact CB-CE2 3.99Å; W142-F424 AromaticContact CD1-CE2 3.9Å; W142-F424 AromaticContact CD2-CE2 3.76Å; W142-F424 HydrophobicContact CD2-CE2 3.76Å; W142-F424 HydrophobicContact CD2-CZ 4.13Å; W142-F424 HydrophobicContact CE3-CE2 4.29Å; W142-F424 HydrophobicContact CE3-CZ 4.27Å; W142-F424 AromaticContact CG-CE2 3.62Å; W142-F424 HydrophobicContact CG-CE2 3.62Å; W142-F424 HydrophobicContact CG-CZ 4.44Å |
| 143 | N | 93.8 | Very high | 95.7 | Very high | 30 Ų | 30 | 23.8 Ų | 23.8 | 16% | 0.16 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -131.8 | -14.3 | -169.7 | -55.6 | -64.2 | 0 | 0 | 0 | 115.9 | F139 A354 R357 | F139-N143 HydrophobicContact CE2-CB 4.33Å; F139-N143 WeakPolarHBondContact O-CB 3.43Å; F139-N143 PolarHBondContact O-N 3.05Å; F139-N143 PolarHBondContact O-ND2 2.79Å; N143-A354 HydrophobicContact CB-CB 4.44Å; N143-A354 VanDerWaalsContact OD1-CA 3.26Å; N143-A354 WeakPolarHBondContact OD1-CA 3.39Å; N143-R357 PolarHBondContact OD1-NH1 2.94Å |
| 144 | L | 92.2 | Very high | 95.8 | Very high | 81 Ų | 81 | 24 Ų | 24 | 42% | 0.424 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | -75.3 | -178.5 | -60.9 | 179.5 | 0 | 0 | 0 | 111.2 | F139 W140 | F139-L144 HydrophobicContact CD1-CD1 4.36Å; F139-L144 HydrophobicContact CE1-CD1 3.95Å; F139-L144 HydrophobicContact CE1-CG 4.13Å; W140-L144 HydrophobicContact CD2-CB 4.47Å; W140-L144 HydrophobicContact CD2-CD1 3.74Å; W140-L144 HydrophobicContact CE3-CD1 3.75Å; W140-L144 HydrophobicContact CG-CB 4.36Å; W140-L144 HydrophobicContact CG-CD1 4.21Å; W140-L144 HydrophobicContact CH2-CD1 4.3Å; W140-L144 HydrophobicContact CZ2-CD1 4.3Å; W140-L144 HydrophobicContact CZ3-CD1 4.04Å; W140-L144 PolarHBondContact O-N 3.47Å; W140-L144 VanDerWaalsContact O-N 3.08Å |
| 145 | D | 92.8 | Very high | 96 | Very high | 5 Ų | 5 | 23.5 Ų | 23.5 | 3% | 0.027 | 12% | 0.115 | C | C | . | . | trans | -162.4 | 99.9 | -167.3 | -166.1 | -13.5 | 0 | 0 | 0 | 111.3 | W140 F147 V148 G149 R215 W216 | W140-D145 VanDerWaalsContact CD1-O 3.22Å; W140-D145 PolarHBondContact NE1-O 2.89Å; W140-D145 PolarHBondContact O-N 2.74Å; D145-F147 PolarHBondContact O-N 3.11Å; D145-F147 WeakPolarHBondContact OD1-CB 3.37Å; D145-F147 PolarHBondContact OD1-N 3.39Å; D145-V148 HydrophobicContact CB-CB 4.23Å; D145-V148 HydrophobicContact CB-CG2 4.28Å; D145-V148 PolarHBondContact O-N 2.83Å; D145-V148 VanDerWaalsContact O-N 3.16Å; D145-V148 WeakPolarHBondContact OD2-CG2 3.45Å; D145-G149 PolarHBondContact O-N 3.22Å; D145-R215 IonicContact OD1-CZ 3.44Å; D145-R215 IonicContact OD1-NE 3.09Å; D145-R215 IonicContact OD1-NH2 2.77Å; D145-R215 PolarHBondContact OD1-NH2 2.93Å; D145-R215 IonicContact OD2-CZ 3.68Å; D145-R215 IonicContact OD2-NE 3.87Å; D145-R215 PolarHBondContact OD2-NE 3.03Å; D145-R215 IonicContact OD2-NH2 2.77Å; D145-R215 PolarHBondContact OD2-NH2 3.36Å; D145-W216 HydrophobicContact CB-CZ2 4.15Å; D145-W216 PolarHBondContact OD2-NE1 3.2Å | ||
| 146 | P | 93.7 | Very high | 96.1 | Very high | 43 Ų | 43 | 20.5 Ų | 20.5 | 28% | 0.279 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -52.7 | -40.6 | 178.8 | -26.4 | 32.7 | 0 | 0 | 0 | 113.4 | V148 G149 R150 | P146-V148 VanDerWaalsContact C-N 3.3Å; P146-V148 PolarHBondContact O-N 2.67Å; P146-G149 PolarHBondContact O-N 3.37Å; P146-R150 WeakPolarHBondContact O-CG 3.2Å; P146-R150 PolarHBondContact O-N 3.34Å |
| 147 | F | 94.3 | Very high | 96.2 | Very high | 40 Ų | 40 | 20 Ų | 20 | 18% | 0.175 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -55.7 | -44.2 | 179.5 | 176.7 | -85.8 | 0 | 0 | 0 | 112.3 | D145 R151 R215 D333 | D145-F147 PolarHBondContact O-N 3.11Å; D145-F147 WeakPolarHBondContact OD1-CB 3.37Å; D145-F147 PolarHBondContact OD1-N 3.39Å; F147-R151 VanDerWaalsContact CD2-NH1 3.29Å; F147-R151 VanDerWaalsContact CE2-NH2 3.3Å; F147-R151 WeakPolarHBondContact O-CD 3.44Å; F147-R151 VanDerWaalsContact O-CG 3.26Å; F147-R151 WeakPolarHBondContact O-CG 3.33Å; F147-R151 PolarHBondContact O-NH1 2.57Å; F147-R215 VanDerWaalsContact CB-NH2 3.3Å; F147-R215 VanDerWaalsContact CD1-CZ 3.49Å; F147-D333 HydrophobicContact CD2-CB 4.15Å |
| 148 | V | 95.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -78.6 | -38.6 | 178.3 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | W140 D145 P146 R150 R151 L152 L211 T212 | W140-V148 HydrophobicContact CZ2-CB 4.39Å; W140-V148 HydrophobicContact CZ2-CG1 3.62Å; D145-V148 HydrophobicContact CB-CB 4.23Å; D145-V148 HydrophobicContact CB-CG2 4.28Å; D145-V148 PolarHBondContact O-N 2.83Å; D145-V148 VanDerWaalsContact O-N 3.16Å; D145-V148 WeakPolarHBondContact OD2-CG2 3.45Å; P146-V148 VanDerWaalsContact C-N 3.3Å; P146-V148 PolarHBondContact O-N 2.67Å; V148-R150 PolarHBondContact O-N 2.93Å; V148-R151 PolarHBondContact O-N 3.14Å; V148-R151 VanDerWaalsContact O-N 3.17Å; V148-L152 HydrophobicContact CG1-CD1 3.88Å; V148-L152 HydrophobicContact CG1-CG 4.03Å; V148-L152 WeakPolarHBondContact O-CG 3.43Å; V148-L152 PolarHBondContact O-N 2.76Å; V148-L211 HydrophobicContact CB-CB 4.49Å; V148-L211 HydrophobicContact CG1-CB 3.76Å; V148-L211 HydrophobicContact CG1-CD1 4.12Å; V148-L211 HydrophobicContact CG2-CB 4.16Å; V148-T212 HydrophobicContact CG1-CG2 4.07Å; V148-T212 HydrophobicContact CG2-CG2 4.18Å |
| 149 | G | 96.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.1 | -46.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | D145 P146 R151 L152 V153 | D145-G149 PolarHBondContact O-N 3.22Å; P146-G149 PolarHBondContact O-N 3.37Å; G149-R151 PolarHBondContact O-N 3.3Å; G149-L152 PolarHBondContact O-N 3.17Å; G149-V153 WeakPolarHBondContact O-CG2 3.37Å; G149-V153 PolarHBondContact O-N 3.25Å |
| 150 | R | 96.5 | Very high | 96.2 | Very high | 11 Ų | 11 | 18.2 Ų | 18.2 | 4% | 0.042 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.2 | -42.8 | 175.2 | -63.5 | -176.2 | -45.2 | -100 | -0.2 | 112.1 | P146 V148 V153 I154 D271 S322 D333 | P146-R150 WeakPolarHBondContact O-CG 3.2Å; P146-R150 PolarHBondContact O-N 3.34Å; V148-R150 PolarHBondContact O-N 2.93Å; R150-V153 PolarHBondContact O-N 3.48Å; R150-I154 WeakPolarHBondContact O-CG1 3.43Å; R150-I154 PolarHBondContact O-N 2.87Å; R150-D271 WeakPolarHBondContact CB-OD1 3.29Å; R150-D271 IonicContact CZ-OD1 3.57Å; R150-D271 IonicContact CZ-OD2 3.66Å; R150-D271 IonicContact NE-OD1 3.07Å; R150-D271 PolarHBondContact NE-OD1 2.9Å; R150-D271 IonicContact NE-OD2 3.29Å; R150-D271 IonicContact NH2-OD1 3.56Å; R150-D271 PolarHBondContact NH2-OD1 3.29Å; R150-D271 IonicContact NH2-OD2 3.44Å; R150-D271 PolarHBondContact NH2-OD2 3.38Å; R150-S322 VanDerWaalsContact CD-CB 3.47Å; R150-S322 WeakPolarHBondContact CD-OG 2.98Å; R150-D333 IonicContact CZ-OD1 2.72Å; R150-D333 IonicContact CZ-OD2 3.27Å; R150-D333 IonicContact NH1-OD1 3.65Å; R150-D333 PolarHBondContact NH1-OD1 3.17Å; R150-D333 IonicContact NH1-OD2 3.21Å; R150-D333 IonicContact NH2-OD1 3.43Å; R150-D333 PolarHBondContact NH2-OD1 2.98Å; R150-D333 IonicContact NH2-OD2 3.59Å; R150-D333 PolarHBondContact NH2-OD2 2.85Å |
| 151 | R | 97.7 | Very high | 96.2 | Very high | 8 Ų | 8 | 18 Ų | 18 | 3% | 0.03 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -68.3 | -39.3 | -179.7 | -70.3 | 176 | 173.5 | 51.1 | 13.3 | 113 | F147 V148 G149 V153 I154 I155 L211 V267 D268 D271 | F147-R151 VanDerWaalsContact CD2-NH1 3.29Å; F147-R151 VanDerWaalsContact CE2-NH2 3.3Å; F147-R151 WeakPolarHBondContact O-CD 3.44Å; F147-R151 VanDerWaalsContact O-CG 3.26Å; F147-R151 WeakPolarHBondContact O-CG 3.33Å; F147-R151 PolarHBondContact O-NH1 2.57Å; V148-R151 PolarHBondContact O-N 3.14Å; V148-R151 VanDerWaalsContact O-N 3.17Å; G149-R151 PolarHBondContact O-N 3.3Å; R151-V153 VanDerWaalsContact C-N 3.28Å; R151-V153 PolarHBondContact O-N 2.81Å; R151-I154 PolarHBondContact O-N 3.08Å; R151-I155 WeakPolarHBondContact O-CG1 3.49Å; R151-I155 PolarHBondContact O-N 2.92Å; R151-L211 HydrophobicContact CB-CD1 3.58Å; R151-L211 HydrophobicContact CB-CD2 4.03Å; R151-L211 HydrophobicContact CB-CG 4.46Å; R151-L211 HydrophobicContact CG-CD2 4.46Å; R151-V267 HydrophobicContact CB-CG1 3.59Å; R151-V267 HydrophobicContact CG-CG1 3.53Å; R151-D268 IonicContact CZ-OD1 2.75Å; R151-D268 IonicContact NE-OD1 2.83Å; R151-D268 PolarHBondContact NE-OD1 3.36Å; R151-D268 IonicContact NH2-OD1 3.66Å; R151-D268 PolarHBondContact NH2-OD1 2.87Å; R151-D271 HydrophobicContact CG-CB 4.33Å; R151-D271 IonicContact CZ-OD2 2.82Å; R151-D271 VanDerWaalsContact CZ-OD2 3.27Å; R151-D271 IonicContact NH1-OD1 2.73Å; R151-D271 IonicContact NH1-OD2 2.77Å; R151-D271 PolarHBondContact NH1-OD2 2.99Å; R151-D271 IonicContact NH2-OD2 3.45Å; R151-D271 PolarHBondContact NH2-OD2 3.42Å; R151-D271 VanDerWaalsContact NH2-OD2 3.07Å |
| 152 | L | 97.9 | Very high | 96.3 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.6 | -39.6 | 171.7 | -73.4 | 173.1 | 0 | 0 | 0 | 111.5 | F136 F137 W140 V148 G149 W156 A207 M208 L211 | F136-L152 HydrophobicContact CE1-CD1 4.31Å; F136-L152 HydrophobicContact CZ-CD1 4.42Å; F137-L152 HydrophobicContact CD1-CB 4.38Å; F137-L152 HydrophobicContact CE1-CB 4.09Å; W140-L152 HydrophobicContact CD2-CD1 3.72Å; W140-L152 HydrophobicContact CE3-CD1 3.91Å; W140-L152 HydrophobicContact CG-CD1 4.21Å; W140-L152 HydrophobicContact CH2-CD1 4.38Å; W140-L152 HydrophobicContact CZ2-CD1 4.2Å; W140-L152 HydrophobicContact CZ3-CD1 4.24Å; V148-L152 HydrophobicContact CG1-CD1 3.88Å; V148-L152 HydrophobicContact CG1-CG 4.03Å; V148-L152 WeakPolarHBondContact O-CG 3.43Å; V148-L152 PolarHBondContact O-N 2.76Å; G149-L152 PolarHBondContact O-N 3.17Å; L152-W156 VanDerWaalsContact O-CB 3.27Å; L152-W156 WeakPolarHBondContact O-CB 3.46Å; L152-W156 PolarHBondContact O-N 3.47Å; L152-A207 HydrophobicContact CD2-CB 3.74Å; L152-M208 HydrophobicContact CD1-CG 3.98Å; L152-M208 HydrophobicContact CD2-CB 4.47Å; L152-M208 HydrophobicContact CD2-CG 3.83Å; L152-L211 HydrophobicContact CD2-CD1 4.03Å; L152-L211 HydrophobicContact CG-CD1 4.1Å |
| 153 | V | 98.1 | Very high | 96.3 | Very high | 3 Ų | 3 | 18.4 Ų | 18.4 | 2% | 0.018 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.7 | -44.1 | 175.4 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | F137 G149 R150 R151 I155 W156 V157 I318 | F137-V153 HydrophobicContact CB-CG2 3.93Å; F137-V153 HydrophobicContact CD1-CG2 3.6Å; F137-V153 HydrophobicContact CD2-CG2 4.09Å; F137-V153 HydrophobicContact CE1-CG2 4.09Å; F137-V153 HydrophobicContact CG-CG2 3.61Å; G149-V153 WeakPolarHBondContact O-CG2 3.37Å; G149-V153 PolarHBondContact O-N 3.25Å; R150-V153 PolarHBondContact O-N 3.48Å; R151-V153 VanDerWaalsContact C-N 3.28Å; R151-V153 PolarHBondContact O-N 2.81Å; V153-I155 VanDerWaalsContact C-N 3.31Å; V153-I155 PolarHBondContact O-N 2.98Å; V153-W156 HydrophobicContact CG1-CE3 4.43Å; V153-W156 PolarHBondContact O-N 2.84Å; V153-V157 HydrophobicContact CG1-CG2 4.14Å; V153-V157 VanDerWaalsContact O-CG2 3.29Å; V153-V157 WeakPolarHBondContact O-CG2 3.36Å; V153-V157 PolarHBondContact O-N 3.44Å; V153-I318 HydrophobicContact CB-CD1 4.43Å; V153-I318 HydrophobicContact CB-CG2 4.18Å; V153-I318 HydrophobicContact CG1-CB 4.19Å; V153-I318 HydrophobicContact CG1-CD1 3.85Å; V153-I318 HydrophobicContact CG1-CG2 3.93Å; V153-I318 HydrophobicContact CG2-CD1 3.82Å; V153-I318 HydrophobicContact CG2-CG2 4.26Å |
| 154 | I | 98.2 | Very high | 96.3 | Very high | 21 Ų | 21 | 17.1 Ų | 17.1 | 11% | 0.108 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -55.9 | -47.4 | 175.7 | -69.3 | 161.5 | 0 | 0 | 0 | 110.6 | R150 R151 L158 V267 I270 D271 | R150-I154 WeakPolarHBondContact O-CG1 3.43Å; R150-I154 PolarHBondContact O-N 2.87Å; R151-I154 PolarHBondContact O-N 3.08Å; I154-L158 HydrophobicContact CG2-CD1 4.07Å; I154-L158 WeakPolarHBondContact O-CG 3.4Å; I154-L158 PolarHBondContact O-N 3.4Å; I154-L158 VanDerWaalsContact O-N 3.11Å; I154-V267 HydrophobicContact CG2-CG2 4.4Å; I154-I270 HydrophobicContact CD1-CB 4.47Å; I154-I270 HydrophobicContact CD1-CG2 3.92Å; I154-I270 HydrophobicContact CG1-CG2 4.21Å; I154-I270 HydrophobicContact CG2-CB 4.38Å; I154-I270 HydrophobicContact CG2-CD1 4.27Å; I154-I270 HydrophobicContact CG2-CG2 3.93Å; I154-D271 HydrophobicContact CD1-CB 3.89Å |
| 155 | I | 98.3 | Very high | 96.3 | Very high | 8 Ų | 8 | 13.7 Ų | 13.7 | 4% | 0.041 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.7 | -43.5 | 177.9 | -66.8 | 166.5 | 0 | 0 | 0 | 111.1 | R151 V153 L158 V159 A203 A207 L211 L260 Y264 V267 | R151-I155 WeakPolarHBondContact O-CG1 3.49Å; R151-I155 PolarHBondContact O-N 2.92Å; V153-I155 VanDerWaalsContact C-N 3.31Å; V153-I155 PolarHBondContact O-N 2.98Å; I155-L158 PolarHBondContact O-N 2.95Å; I155-V159 HydrophobicContact CG2-CG2 4.19Å; I155-V159 WeakPolarHBondContact O-CB 3.41Å; I155-V159 VanDerWaalsContact O-CG2 3.26Å; I155-V159 WeakPolarHBondContact O-CG2 3.47Å; I155-V159 PolarHBondContact O-N 3.36Å; I155-A203 HydrophobicContact CG2-CB 4.5Å; I155-A207 HydrophobicContact CD1-CB 3.61Å; I155-A207 HydrophobicContact CG2-CB 4.11Å; I155-L211 HydrophobicContact CD1-CD1 4.12Å; I155-L260 HydrophobicContact CG2-CD2 3.7Å; I155-Y264 HydrophobicContact CD1-CD2 4.08Å; I155-V267 HydrophobicContact CD1-CG1 4.46Å; I155-V267 HydrophobicContact CD1-CG2 3.98Å; I155-V267 HydrophobicContact CG1-CG2 3.6Å |
| 156 | W | 98.4 | Very high | 96.3 | Very high | 15 Ų | 15 | 14.6 Ų | 14.6 | 6% | 0.057 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.4 | -44.6 | 177.9 | 170.8 | 80.8 | 0 | 0 | 0 | 112.6 | Y133 F137 L152 V153 V159 M160 I311 | Y133-W156 HydrophobicContact CD1-CZ2 4.47Å; Y133-W156 AromaticContact CD1-NE1 3.45Å; Y133-W156 AromaticContact CD2-CE2 4Å; Y133-W156 AromaticContact CD2-CZ2 3.7Å; Y133-W156 HydrophobicContact CD2-CZ2 3.7Å; Y133-W156 AromaticContact CD2-NE1 3.8Å; Y133-W156 AromaticContact CE1-CD1 3.7Å; Y133-W156 AromaticContact CE1-NE1 3.2Å; Y133-W156 HydrophobicContact CE2-CZ2 4.09Å; Y133-W156 AromaticContact CE2-NE1 3.57Å; Y133-W156 AromaticContact CG-CE2 3.96Å; Y133-W156 AromaticContact CG-CZ2 3.92Å; Y133-W156 HydrophobicContact CG-CZ2 3.92Å; Y133-W156 AromaticContact CG-NE1 3.76Å; Y133-W156 AromaticContact CZ-NE1 3.27Å; Y133-W156 VanDerWaalsContact CZ-NE1 3.27Å; F137-W156 HydrophobicContact CE1-CB 4.42Å; F137-W156 HydrophobicContact CE2-CB 4.42Å; F137-W156 AromaticContact CE2-CD2 3.7Å; F137-W156 HydrophobicContact CE2-CD2 3.7Å; F137-W156 HydrophobicContact CE2-CE3 4.01Å; F137-W156 AromaticContact CE2-CG 3.89Å; F137-W156 HydrophobicContact CE2-CG 3.89Å; F137-W156 HydrophobicContact CZ-CB 3.68Å; F137-W156 AromaticContact CZ-CD1 3.9Å; F137-W156 AromaticContact CZ-CD2 3.87Å; F137-W156 HydrophobicContact CZ-CD2 3.87Å; F137-W156 HydrophobicContact CZ-CE3 4.39Å; F137-W156 AromaticContact CZ-CG 3.53Å; F137-W156 HydrophobicContact CZ-CG 3.53Å; L152-W156 VanDerWaalsContact O-CB 3.27Å; L152-W156 WeakPolarHBondContact O-CB 3.46Å; L152-W156 PolarHBondContact O-N 3.47Å; V153-W156 HydrophobicContact CG1-CE3 4.43Å; V153-W156 PolarHBondContact O-N 2.84Å; W156-V159 PolarHBondContact O-N 2.92Å; W156-M160 HydrophobicContact CD2-CG 4.48Å; W156-M160 HydrophobicContact CG-CG 4.3Å; W156-M160 VanDerWaalsContact O-CB 3.27Å; W156-M160 WeakPolarHBondContact O-CB 3.2Å; W156-M160 VanDerWaalsContact O-CG 3.25Å; W156-M160 WeakPolarHBondContact O-CG 3.34Å; W156-M160 PolarHBondContact O-N 3.02Å; W156-I311 HydrophobicContact CH2-CB 4.2Å; W156-I311 HydrophobicContact CH2-CG1 3.89Å; W156-I311 HydrophobicContact CH2-CG2 4.2Å; W156-I311 HydrophobicContact CZ2-CG1 3.98Å; W156-I311 HydrophobicContact CZ3-CG2 4.16Å |
| 157 | V | 98.1 | Very high | 96.3 | Very high | 11 Ų | 11 | 12.6 Ų | 12.6 | 7% | 0.067 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -59 | -49.5 | 175.5 | 172.8 | 0 | 0 | 0 | 0 | 110.3 | V153 Y161 I311 L312 | V153-V157 HydrophobicContact CG1-CG2 4.14Å; V153-V157 VanDerWaalsContact O-CG2 3.29Å; V153-V157 WeakPolarHBondContact O-CG2 3.36Å; V153-V157 PolarHBondContact O-N 3.44Å; V157-Y161 WeakPolarHBondContact O-CB 3.29Å; V157-Y161 PolarHBondContact O-N 3.43Å; V157-I311 HydrophobicContact CB-CG2 4.45Å; V157-I311 HydrophobicContact CG1-CG2 4.34Å; V157-I311 HydrophobicContact CG2-CG2 4.39Å; V157-L312 HydrophobicContact CG1-CD2 4.27Å |
| 158 | L | 97.5 | Very high | 96.1 | Very high | 40 Ų | 40 | 10.7 Ų | 10.7 | 21% | 0.209 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -61 | -49.5 | 179.6 | -71.8 | 169 | 0 | 0 | 0 | 112 | I154 I155 L162 F263 | I154-L158 HydrophobicContact CG2-CD1 4.07Å; I154-L158 WeakPolarHBondContact O-CG 3.4Å; I154-L158 PolarHBondContact O-N 3.4Å; I154-L158 VanDerWaalsContact O-N 3.11Å; I155-L158 PolarHBondContact O-N 2.95Å; L158-L162 VanDerWaalsContact O-CB 3.27Å; L158-L162 WeakPolarHBondContact O-CB 3.12Å; L158-L162 WeakPolarHBondContact O-CG 3.43Å; L158-L162 PolarHBondContact O-N 2.98Å; L158-F263 HydrophobicContact CD1-CB 4.07Å; L158-F263 HydrophobicContact CD1-CD1 4.14Å; L158-F263 HydrophobicContact CD1-CG 4.28Å; L158-F263 HydrophobicContact CD2-CD1 4.42Å |
| 159 | V | 98.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.006 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63 | -45.6 | -179.4 | 168.6 | 0 | 0 | 0 | 0 | 111.4 | I155 W156 G163 M199 A203 I259 | I155-V159 HydrophobicContact CG2-CG2 4.19Å; I155-V159 WeakPolarHBondContact O-CB 3.41Å; I155-V159 VanDerWaalsContact O-CG2 3.26Å; I155-V159 WeakPolarHBondContact O-CG2 3.47Å; I155-V159 PolarHBondContact O-N 3.36Å; W156-V159 PolarHBondContact O-N 2.92Å; V159-G163 PolarHBondContact O-N 3.3Å; V159-M199 HydrophobicContact CG1-CB 3.81Å; V159-M199 HydrophobicContact CG1-CE 4.04Å; V159-M199 VanDerWaalsContact O-CE 3.26Å; V159-M199 WeakPolarHBondContact O-CE 3.41Å; V159-A203 HydrophobicContact CB-CB 4.33Å; V159-A203 HydrophobicContact CG1-CB 3.97Å; V159-A203 HydrophobicContact CG2-CB 3.87Å; V159-I259 HydrophobicContact CG2-CB 4.42Å; V159-I259 HydrophobicContact CG2-CG2 3.71Å |
| 160 | M | 96.8 | Very high | 95.6 | Very high | 13 Ų | 13 | 19.2 Ų | 19.2 | 6% | 0.064 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -72.2 | -43 | -178.5 | -68.2 | -66.5 | -69.5 | 0 | 0 | 112.1 | W156 G163 Q164 I311 | W156-M160 HydrophobicContact CD2-CG 4.48Å; W156-M160 HydrophobicContact CG-CG 4.3Å; W156-M160 VanDerWaalsContact O-CB 3.27Å; W156-M160 WeakPolarHBondContact O-CB 3.2Å; W156-M160 VanDerWaalsContact O-CG 3.25Å; W156-M160 WeakPolarHBondContact O-CG 3.34Å; W156-M160 PolarHBondContact O-N 3.02Å; M160-G163 PolarHBondContact O-N 3.03Å; M160-Q164 WeakPolarHBondContact O-CG 3.49Å; M160-Q164 PolarHBondContact O-N 2.84Å; M160-I311 HydrophobicContact CB-CD1 3.72Å; M160-I311 HydrophobicContact CB-CG1 4.29Å; M160-I311 HydrophobicContact CB-CG2 4.12Å; M160-I311 HydrophobicContact CE-CD1 4.09Å |
| 161 | Y | 96.1 | Very high | 95.3 | Very high | 16 Ų | 16 | 24.5 Ų | 24.5 | 6% | 0.063 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.5 | -50 | 176.9 | 174.2 | -101.3 | 0 | 0 | 0 | 111.9 | V157 G163 Q164 C165 L291 T308 L312 | V157-Y161 WeakPolarHBondContact O-CB 3.29Å; V157-Y161 PolarHBondContact O-N 3.43Å; Y161-G163 VanDerWaalsContact C-N 3.28Å; Y161-G163 PolarHBondContact O-N 3.17Å; Y161-Q164 PolarHBondContact O-N 3.22Å; Y161-C165 VanDerWaalsContact CE2-SG 3.6Å; Y161-C165 WeakPolarHBondContact O-CB 3.33Å; Y161-C165 PolarHBondContact O-N 3.35Å; Y161-C165 PolarHBondContact O-SG 2.92Å; Y161-C165 VanDerWaalsContact O-SG 3.34Å; Y161-L291 HydrophobicContact CE1-CB 4.38Å; Y161-L291 HydrophobicContact CE1-CD2 3.82Å; Y161-L291 HydrophobicContact CE1-CG 4.49Å; Y161-L291 HydrophobicContact CE2-CB 3.83Å; Y161-L291 VanDerWaalsContact CE2-O 3.31Å; Y161-L291 WeakPolarHBondContact CE2-O 3.39Å; Y161-L291 WeakPolarHBondContact OH-CA 3.35Å; Y161-L291 WeakPolarHBondContact OH-CD2 3.04Å; Y161-L291 PolarHBondContact OH-O 2.73Å; Y161-T308 HydrophobicContact CD2-CG2 3.95Å; Y161-T308 HydrophobicContact CE2-CG2 4.28Å; Y161-L312 HydrophobicContact CD2-CD1 3.86Å; Y161-L312 HydrophobicContact CD2-CD2 3.84Å; Y161-L312 HydrophobicContact CD2-CG 4.09Å; Y161-L312 HydrophobicContact CE2-CD1 3.94Å; Y161-L312 HydrophobicContact CE2-CD2 4.4Å; Y161-L312 HydrophobicContact CG-CD2 4.28Å |
| 162 | L | 96.1 | Very high | 95 | Very high | 39 Ų | 39 | 27.9 Ų | 27.9 | 20% | 0.204 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64 | -35.6 | 176.9 | -68 | 174.4 | 0 | 0 | 0 | 111.4 | L158 T166 I259 F263 | L158-L162 VanDerWaalsContact O-CB 3.27Å; L158-L162 WeakPolarHBondContact O-CB 3.12Å; L158-L162 WeakPolarHBondContact O-CG 3.43Å; L158-L162 PolarHBondContact O-N 2.98Å; L162-T166 WeakPolarHBondContact O-CB 3.26Å; L162-T166 PolarHBondContact O-N 3.4Å; L162-T166 PolarHBondContact O-OG1 2.91Å; L162-I259 HydrophobicContact CB-CD1 4Å; L162-I259 HydrophobicContact CD1-CD1 4.03Å; L162-I259 HydrophobicContact CD1-CG1 3.99Å; L162-I259 HydrophobicContact CD1-CG2 4.17Å; L162-F263 HydrophobicContact CD1-CD2 4.46Å; L162-F263 HydrophobicContact CD1-CE2 3.89Å; L162-F263 HydrophobicContact CD1-CZ 4.37Å |
| 163 | G | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62 | -48.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V159 M160 Y161 T166 K167 | V159-G163 PolarHBondContact O-N 3.3Å; M160-G163 PolarHBondContact O-N 3.03Å; Y161-G163 VanDerWaalsContact C-N 3.28Å; Y161-G163 PolarHBondContact O-N 3.17Å; G163-T166 PolarHBondContact O-N 2.99Å; G163-K167 PolarHBondContact O-N 3.2Å |
| 164 | Q | 92.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 1% | 0.014 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.9 | -46.9 | 177.6 | -61.1 | -72.2 | 58.4 | 0 | 0 | 111.1 | M160 Y161 T166 K167 D168 T196 T308 | M160-Q164 WeakPolarHBondContact O-CG 3.49Å; M160-Q164 PolarHBondContact O-N 2.84Å; Y161-Q164 PolarHBondContact O-N 3.22Å; Q164-T166 PolarHBondContact O-N 3Å; Q164-K167 WeakPolarHBondContact O-CB 3.32Å; Q164-K167 PolarHBondContact O-N 2.96Å; Q164-K167 VanDerWaalsContact O-N 3.14Å; Q164-D168 VanDerWaalsContact O-CG 3.3Å; Q164-D168 PolarHBondContact O-N 2.84Å; Q164-D168 VanDerWaalsContact O-N 3.09Å; Q164-T196 HydrophobicContact CG-CG2 4.4Å; Q164-T308 WeakPolarHBondContact CB-OG1 3.35Å; Q164-T308 WeakPolarHBondContact CG-OG1 3.4Å |
| 165 | C | 92.9 | Very high | 94 | Very high | 8 Ų | 8 | 32.6 Ų | 32.6 | 5% | 0.054 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.3 | -38 | 174.5 | -69.6 | 0 | 0 | 0 | 0 | 112.3 | Y161 D168 I169 S295 L298 | Y161-C165 VanDerWaalsContact CE2-SG 3.6Å; Y161-C165 WeakPolarHBondContact O-CB 3.33Å; Y161-C165 PolarHBondContact O-N 3.35Å; Y161-C165 PolarHBondContact O-SG 2.92Å; Y161-C165 VanDerWaalsContact O-SG 3.34Å; C165-D168 PolarHBondContact O-N 2.78Å; C165-I169 WeakPolarHBondContact O-CD1 3.34Å; C165-I169 VanDerWaalsContact O-CG1 3.24Å; C165-I169 WeakPolarHBondContact O-CG1 3.5Å; C165-I169 PolarHBondContact O-N 3.32Å; C165-I169 VanDerWaalsContact O-N 3.08Å; C165-S295 PolarHBondContact SG-OG 3.18Å; C165-L298 HydrophobicContact CB-CD1 3.88Å |
| 166 | T | 93.8 | Very high | 93.6 | Very high | 25 Ų | 25 | 34.7 Ų | 34.7 | 15% | 0.153 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -72.6 | -34.9 | 179.4 | -57.9 | 0 | 0 | 0 | 0 | 112.2 | L162 G163 Q164 D168 I169 I170 P194 Y255 | L162-T166 WeakPolarHBondContact O-CB 3.26Å; L162-T166 PolarHBondContact O-N 3.4Å; L162-T166 PolarHBondContact O-OG1 2.91Å; G163-T166 PolarHBondContact O-N 2.99Å; Q164-T166 PolarHBondContact O-N 3Å; T166-D168 VanDerWaalsContact C-N 3.34Å; T166-I169 PolarHBondContact O-N 3.43Å; T166-I170 HydrophobicContact CG2-CD1 3.54Å; T166-I170 HydrophobicContact CG2-CG1 4.07Å; T166-I170 WeakPolarHBondContact O-CB 3.44Å; T166-I170 VanDerWaalsContact O-CG1 3.3Å; T166-I170 WeakPolarHBondContact O-CG1 3.38Å; T166-I170 PolarHBondContact O-N 3.42Å; T166-P194 HydrophobicContact CG2-CG 4.19Å; T166-Y255 HydrophobicContact CG2-CE1 4.13Å; T166-Y255 WeakPolarHBondContact OG1-CE1 3.33Å; T166-Y255 PolarHBondContact OG1-OH 2.91Å; T166-Y255 VanDerWaalsContact OG1-OH 3.09Å |
| 167 | K | 92.9 | Very high | 93 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -55.5 | -49.9 | 168.1 | -87.6 | -178.3 | -172 | 161 | 0 | 111 | G163 Q164 I169 I170 R171 E190 Y191 T196 | G163-K167 PolarHBondContact O-N 3.2Å; Q164-K167 WeakPolarHBondContact O-CB 3.32Å; Q164-K167 PolarHBondContact O-N 2.96Å; Q164-K167 VanDerWaalsContact O-N 3.14Å; K167-I169 VanDerWaalsContact C-N 3.26Å; K167-I169 PolarHBondContact O-N 2.95Å; K167-I170 PolarHBondContact O-N 3.42Å; K167-R171 WeakPolarHBondContact O-CA 3.44Å; K167-R171 PolarHBondContact O-N 3.46Å; K167-E190 IonicContact NZ-OE2 2.74Å; K167-E190 PolarHBondContact NZ-OE2 3.41Å; K167-Y191 WeakPolarHBondContact CD-O 3.1Å; K167-Y191 WeakPolarHBondContact CE-O 3.19Å; K167-Y191 WeakPolarHBondContact O-CD2 3.42Å; K167-T196 PolarHBondContact NZ-OG1 3.35Å |
| 168 | D | 89.2 | Confident | 92.4 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.6 | -23 | -174.4 | -57.6 | -16.8 | 0 | 0 | 0 | 112.6 | Q164 C165 T166 R171 L298 D299 S304 | Q164-D168 VanDerWaalsContact O-CG 3.3Å; Q164-D168 PolarHBondContact O-N 2.84Å; Q164-D168 VanDerWaalsContact O-N 3.09Å; C165-D168 PolarHBondContact O-N 2.78Å; T166-D168 VanDerWaalsContact C-N 3.34Å; D168-R171 WeakPolarHBondContact O-CG 3.23Å; D168-R171 PolarHBondContact O-NE 3.06Å; D168-L298 HydrophobicContact CB-CB 3.86Å; D168-D299 HydrophobicContact CB-CB 4.12Å; D168-S304 PolarHBondContact OD1-OG 3.23Å |
| 169 | I | 91 | Very high | 92 | Very high | 112 Ų | 112 | 41.2 Ų | 41.2 | 57% | 0.574 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -80.6 | -46.9 | 171.7 | -70 | 163.8 | 0 | 0 | 0 | 112.1 | C165 T166 K167 L298 | C165-I169 WeakPolarHBondContact O-CD1 3.34Å; C165-I169 VanDerWaalsContact O-CG1 3.24Å; C165-I169 WeakPolarHBondContact O-CG1 3.5Å; C165-I169 PolarHBondContact O-N 3.32Å; C165-I169 VanDerWaalsContact O-N 3.08Å; T166-I169 PolarHBondContact O-N 3.43Å; K167-I169 VanDerWaalsContact C-N 3.26Å; K167-I169 PolarHBondContact O-N 2.95Å; I169-L298 HydrophobicContact CD1-CD1 4.27Å; I169-L298 HydrophobicContact CG1-CD1 4.23Å; I169-L298 HydrophobicContact CG1-CD2 4.32Å |
| 170 | I | 91.5 | Very high | 91.6 | Very high | 67 Ų | 67 | 41.1 Ų | 41.1 | 34% | 0.344 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -78.3 | -32.5 | -175.6 | -63.7 | 179.7 | 0 | 0 | 0 | 111.6 | T166 K167 W172 M193 | T166-I170 HydrophobicContact CG2-CD1 3.54Å; T166-I170 HydrophobicContact CG2-CG1 4.07Å; T166-I170 WeakPolarHBondContact O-CB 3.44Å; T166-I170 VanDerWaalsContact O-CG1 3.3Å; T166-I170 WeakPolarHBondContact O-CG1 3.38Å; T166-I170 PolarHBondContact O-N 3.42Å; K167-I170 PolarHBondContact O-N 3.42Å; I170-W172 HydrophobicContact CG2-CB 4Å; I170-W172 HydrophobicContact CG2-CD2 4.42Å; I170-W172 HydrophobicContact CG2-CE3 3.84Å; I170-W172 PolarHBondContact O-N 3.36Å; I170-M193 HydrophobicContact CD1-CE 4.33Å; I170-M193 HydrophobicContact CG2-CE 3.77Å |
| 171 | R | 90.3 | Very high | 91.2 | Very high | 121 Ų | 121 | 41.1 Ų | 41.1 | 46% | 0.457 | 23% | 0.226 | S | C | . | . | trans | 54.1 | 32.1 | 178.2 | -55.9 | -170.3 | -179.8 | -179 | -0.9 | 114.9 | K167 D168 Y191 L298 | K167-R171 WeakPolarHBondContact O-CA 3.44Å; K167-R171 PolarHBondContact O-N 3.46Å; D168-R171 WeakPolarHBondContact O-CG 3.23Å; D168-R171 PolarHBondContact O-NE 3.06Å; R171-Y191 VanDerWaalsContact C-CD1 3.41Å; R171-Y191 VanDerWaalsContact CA-CD1 3.43Å; R171-Y191 HydrophobicContact CB-CD1 3.97Å; R171-Y191 HydrophobicContact CB-CE1 3.66Å; R171-Y191 HydrophobicContact CB-CE2 4.3Å; R171-Y191 HydrophobicContact CB-CG 4.41Å; R171-Y191 HydrophobicContact CG-CD2 4.4Å; R171-Y191 HydrophobicContact CG-CE1 4.1Å; R171-Y191 HydrophobicContact CG-CE2 3.88Å; R171-L298 PolarHBondContact NH2-O 2.74Å | ||
| 172 | W | 90.7 | Very high | 90.8 | Very high | 80 Ų | 80 | 42 Ų | 42 | 30% | 0.303 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -68.9 | 130.7 | -176.1 | -145.7 | -107.2 | 0 | 0 | 0 | 111.3 | Q15 I170 Y191 S192 M193 | Q15-W172 VanDerWaalsContact NE2-NE1 3.16Å; I170-W172 HydrophobicContact CG2-CB 4Å; I170-W172 HydrophobicContact CG2-CD2 4.42Å; I170-W172 HydrophobicContact CG2-CE3 3.84Å; I170-W172 PolarHBondContact O-N 3.36Å; W172-Y191 CarbonylContact O-C 3.32Å; W172-Y191 VanDerWaalsContact O-CA 3.31Å; W172-Y191 WeakPolarHBondContact O-CA 3.31Å; W172-Y191 WeakPolarHBondContact O-CB 3.07Å; W172-S192 PolarHBondContact O-N 2.87Å; W172-M193 HydrophobicContact CB-CB 3.71Å; W172-M193 HydrophobicContact CD2-CE 4.01Å; W172-M193 HydrophobicContact CE3-CE 4.15Å; W172-M193 HydrophobicContact CG-CB 3.96Å; W172-M193 HydrophobicContact CG-CE 4.3Å |
| 173 | P | 91.2 | Very high | 90.2 | Very high | 88 Ų | 88 | 41.5 Ų | 41.5 | 57% | 0.571 | 23% | 0.227 | S | C | * | . | P | Polyproline II helix | trans | -70.8 | 153.5 | 179.4 | 29 | -34.9 | 0 | 0 | 0 | 112.4 | S192 | P173-S192 VanDerWaalsContact O-CB 3.3Å; P173-S192 WeakPolarHBondContact O-CB 3.37Å |
| 174 | R | 91.9 | Very high | 89.5 | Confident | 28 Ų | 28 | 42.4 Ų | 42.4 | 11% | 0.106 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -62.5 | 157.3 | 169.2 | -64.8 | -75.4 | 174.5 | 171.6 | 1 | 111 | A176 Y187 E190 Y191 M243 H244 | R174-A176 PolarHBondContact O-N 2.93Å; R174-Y187 PolarHBondContact NE-O 3.31Å; R174-Y187 PolarHBondContact NH2-O 2.98Å; R174-E190 VanDerWaalsContact CG-O 3.25Å; R174-E190 WeakPolarHBondContact CG-O 3.28Å; R174-E190 PolarHBondContact NE-O 3.36Å; R174-E190 IonicContact NH2-OE2 3.59Å; R174-E190 PolarHBondContact NH2-OE2 3.41Å; R174-Y191 PolarHBondContact NH2-O 3.19Å; R174-M243 WeakPolarHBondContact CD-O 3.26Å; R174-M243 PolarHBondContact NH1-O 2.9Å; R174-H244 PolarHBondContact NH1-CD2 3.43Å; R174-H244 PolarHBondContact NH1-CE1 2.93Å; R174-H244 PolarHBondContact NH1-NE2 2.87Å |
| 175 | P | 91.7 | Very high | 88.8 | Confident | 8 Ų | 8 | 43 Ų | 43 | 5% | 0.052 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -52.8 | 139.6 | 170.4 | -24.8 | 34.3 | 0 | 0 | 0 | 111.9 | V180 | P175-V180 HydrophobicContact CB-CB 4.32Å; P175-V180 HydrophobicContact CB-CG1 4.29Å; P175-V180 HydrophobicContact CB-CG2 4Å |
| 176 | A | 88.9 | Confident | 87.7 | Confident | 53 Ų | 53 | 45.7 Ų | 45.7 | 44% | 0.438 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -69.3 | 132.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | P17 R174 P178 P179 V180 | P17-A176 HydrophobicContact CG-CB 4.31Å; R174-A176 PolarHBondContact O-N 2.93Å; A176-P178 CarbonylContact C-O 3.54Å; A176-P178 CarbonylContact O-C 3.57Å; A176-P178 VanDerWaalsContact O-C 3.29Å; A176-P179 WeakPolarHBondContact O-CD 3.21Å; A176-V180 WeakPolarHBondContact O-CB 3.36Å; A176-V180 PolarHBondContact O-N 2.93Å |
| 177 | S | 85.4 | Confident | 86.7 | Confident | 42 Ų | 42 | 45.5 Ų | 45.5 | 29% | 0.294 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 131.8 | 161.5 | -175.8 | 0 | 0 | 0 | 0 | 109.3 | E108 V180 | E108-S177 VanDerWaalsContact CD-OG 3.26Å; E108-S177 WeakPolarHBondContact OE1-CB 3.31Å; E108-S177 PolarHBondContact OE1-OG 3.36Å; E108-S177 PolarHBondContact OE2-OG 3Å; S177-V180 WeakPolarHBondContact CB-O 3.29Å; S177-V180 PolarHBondContact OG-O 2.77Å; S177-V180 VanDerWaalsContact OG-O 3.05Å |
| 178 | P | 85.6 | Confident | 85.7 | Confident | 112 Ų | 112 | 47.2 Ų | 47.2 | 73% | 0.727 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -62.3 | 162.6 | -17.2 | 28.8 | -35.2 | 0 | 0 | 0 | 111.3 | A176 | A176-P178 CarbonylContact C-O 3.54Å; A176-P178 CarbonylContact O-C 3.57Å; A176-P178 VanDerWaalsContact O-C 3.29Å |
| 179 | P | 89.6 | Confident | 85 | Confident | 48 Ų | 48 | 49.4 Ų | 49.4 | 31% | 0.312 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -95.7 | -2 | 9.3 | 39 | -38 | 0 | 0 | 0 | 115.1 | P17 A21 A176 | P17-P179 HydrophobicContact CB-CG 4.27Å; A21-P179 HydrophobicContact CB-CB 3.95Å; A21-P179 HydrophobicContact CB-CG 3.97Å; A21-P179 WeakPolarHBondContact CB-O 3.25Å; A176-P179 WeakPolarHBondContact O-CD 3.21Å |
| 180 | V | 89.4 | Confident | 84.6 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -86.1 | 122.2 | -175.9 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | P17 V20 A21 P175 A176 S177 G242 | P17-V180 HydrophobicContact CB-CG2 3.75Å; P17-V180 WeakPolarHBondContact O-CG2 3.5Å; V20-V180 HydrophobicContact CB-CG1 4.31Å; V20-V180 HydrophobicContact CB-CG2 3.75Å; V20-V180 HydrophobicContact CG1-CB 4.49Å; V20-V180 HydrophobicContact CG1-CG1 3.62Å; V20-V180 HydrophobicContact CG1-CG2 4.01Å; A21-V180 HydrophobicContact CB-CG2 4.25Å; P175-V180 HydrophobicContact CB-CB 4.32Å; P175-V180 HydrophobicContact CB-CG1 4.29Å; P175-V180 HydrophobicContact CB-CG2 4Å; A176-V180 WeakPolarHBondContact O-CB 3.36Å; A176-V180 PolarHBondContact O-N 2.93Å; S177-V180 WeakPolarHBondContact CB-O 3.29Å; S177-V180 PolarHBondContact OG-O 2.77Å; S177-V180 VanDerWaalsContact OG-O 3.05Å; V180-G242 WeakPolarHBondContact CG1-O 3.19Å |
| 181 | I | 88 | Confident | 84.5 | Confident | 13 Ų | 13 | 43.4 Ų | 43.4 | 7% | 0.067 | 23% | 0.233 | C | C | . | . | trans | -81.3 | 125.1 | -178.4 | -60.7 | 164.5 | 0 | 0 | 0 | 109.3 | Q24 V29 E30 V31 E108 A110 L183 | Q24-I181 PolarHBondContact NE2-O 3.29Å; V29-I181 HydrophobicContact CG1-CB 4.47Å; V29-I181 HydrophobicContact CG1-CD1 3.96Å; V29-I181 HydrophobicContact CG1-CG2 4.43Å; E30-I181 VanDerWaalsContact C-CD1 3.49Å; V31-I181 HydrophobicContact CG2-CD1 3.8Å; V31-I181 HydrophobicContact CG2-CG1 4.07Å; E108-I181 VanDerWaalsContact OE2-CA 3.31Å; E108-I181 WeakPolarHBondContact OE2-CA 3.42Å; A110-I181 HydrophobicContact CB-CG2 3.78Å; I181-L183 HydrophobicContact CG2-CD2 4.02Å; I181-L183 PolarHBondContact O-N 3.35Å | ||
| 182 | K | 87.7 | Confident | 84.6 | Confident | 35 Ų | 35 | 37.6 Ų | 37.6 | 15% | 0.152 | 21% | 0.211 | C | C | . | . | trans | -91 | 97.3 | -177.5 | -69.6 | -179.4 | 177.2 | 178.8 | 0 | 111.5 | E108 E184 N188 | E108-K182 PolarHBondContact OE2-N 2.77Å; K182-E184 VanDerWaalsContact C-N 3.32Å; K182-N188 WeakPolarHBondContact CD-OD1 3.48Å; K182-N188 WeakPolarHBondContact CE-OD1 3Å; K182-N188 PolarHBondContact NZ-OD1 3.21Å | ||
| 183 | L | 85 | Confident | 84.7 | Confident | 27 Ų | 27 | 35.1 Ų | 35.1 | 14% | 0.141 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -78.9 | -17.8 | 178.8 | -58.5 | -179.3 | 0 | 0 | 0 | 112.9 | V29 A110 I181 Y240 M241 | V29-L183 HydrophobicContact CG1-CD1 4.32Å; V29-L183 HydrophobicContact CG1-CD2 4.15Å; V29-L183 HydrophobicContact CG2-CD1 4.25Å; A110-L183 HydrophobicContact CB-CD2 3.52Å; I181-L183 HydrophobicContact CG2-CD2 4.02Å; I181-L183 PolarHBondContact O-N 3.35Å; L183-Y240 HydrophobicContact CD1-CD1 3.96Å; L183-Y240 HydrophobicContact CD1-CE1 3.6Å; L183-M241 HydrophobicContact CB-SD 3.71Å; L183-M241 HydrophobicContact CD1-SD 4.08Å; L183-M241 PolarHBondContact N-O 3.06Å |
| 184 | E | 80.7 | Confident | 84.9 | Confident | 20 Ų | 20 | 31.1 Ų | 31.1 | 9% | 0.093 | 18% | 0.177 | C | C | . | . | trans | -123.3 | 138.4 | 173.9 | -176.5 | 173.1 | -122.3 | 0 | 0 | 109.3 | T125 K182 Y187 R238 M241 M243 | T125-E184 WeakPolarHBondContact CG2-OE1 3.48Å; K182-E184 VanDerWaalsContact C-N 3.32Å; E184-Y187 HydrophobicContact CG-CD2 4.33Å; E184-R238 IonicContact OE2-CZ 2.89Å; E184-R238 IonicContact OE2-NH1 2.73Å; E184-R238 PolarHBondContact OE2-NH1 2.71Å; E184-R238 IonicContact OE2-NH2 3.77Å; E184-R238 PolarHBondContact OE2-NH2 3.39Å; E184-M241 HydrophobicContact CB-CB 4.33Å; E184-M243 HydrophobicContact CB-CG 4.03Å; E184-M243 HydrophobicContact CB-SD 4.06Å | ||
| 185 | I | 76.4 | Confident | 85.2 | Confident | 16 Ų | 16 | 29.8 Ų | 29.8 | 8% | 0.082 | 17% | 0.172 | C | C | . | . | trans | -121.8 | -18.5 | -170.3 | -43.1 | 148.7 | 0 | 0 | 0 | 111 | R98 N100 E105 Y187 N188 | R98-I185 HydrophobicContact CB-CD1 3.61Å; R98-I185 WeakPolarHBondContact O-CD1 3.47Å; N100-I185 HydrophobicContact CB-CG2 4.15Å; N100-I185 PolarHBondContact ND2-O 2.87Å; N100-I185 VanDerWaalsContact ND2-O 3.09Å; E105-I185 HydrophobicContact CB-CG2 3.79Å; I185-Y187 VanDerWaalsContact C-N 3.35Å; I185-Y187 PolarHBondContact O-N 3.33Å; I185-N188 HydrophobicContact CG2-CB 4.45Å; I185-N188 WeakPolarHBondContact O-CB 3.33Å; I185-N188 PolarHBondContact O-N 2.71Å; I185-N188 VanDerWaalsContact O-N 3.16Å | ||
| 186 | F | 69.9 | Low | 85.4 | Confident | 63 Ų | 63 | 29.6 Ų | 29.6 | 28% | 0.276 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -44.4 | -173.1 | -171.4 | -96.1 | 0 | 0 | 0 | 112.3 | N100 L102 | N100-F186 WeakPolarHBondContact ND2-CA 3.44Å; N100-F186 PolarHBondContact ND2-O 2.66Å; N100-F186 VanDerWaalsContact ND2-O 3.17Å; L102-F186 HydrophobicContact CD1-CE2 3.72Å; L102-F186 HydrophobicContact CD1-CZ 3.68Å; L102-F186 HydrophobicContact CG-CE2 4.26Å |
| 187 | Y | 72.8 | Confident | 85.7 | Confident | 22 Ų | 22 | 27.4 Ų | 27.4 | 9% | 0.086 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 16.4 | 179.9 | -50.2 | -76.3 | 0 | 0 | 0 | 113.8 | N129 R174 E184 I185 S189 E190 H197 | N129-Y187 PolarHBondContact OD1-OH 3.02Å; R174-Y187 PolarHBondContact NE-O 3.31Å; R174-Y187 PolarHBondContact NH2-O 2.98Å; E184-Y187 HydrophobicContact CG-CD2 4.33Å; I185-Y187 VanDerWaalsContact C-N 3.35Å; I185-Y187 PolarHBondContact O-N 3.33Å; Y187-S189 VanDerWaalsContact C-N 3.3Å; Y187-S189 PolarHBondContact O-N 3.12Å; Y187-E190 PolarHBondContact O-N 3.45Å; Y187-H197 AromaticContact CE2-CE1 3.7Å; Y187-H197 AromaticContact CE2-NE2 3.94Å; Y187-H197 AromaticContact CZ-CE1 3.88Å |
| 188 | N | 73.8 | Confident | 86.3 | Confident | 36 Ų | 36 | 25.4 Ų | 25.4 | 19% | 0.193 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -31.7 | -174.5 | -178.4 | 52.8 | 0 | 0 | 0 | 113.3 | E105 K182 I185 | E105-N188 PolarHBondContact OE1-ND2 3.32Å; K182-N188 WeakPolarHBondContact CD-OD1 3.48Å; K182-N188 WeakPolarHBondContact CE-OD1 3Å; K182-N188 PolarHBondContact NZ-OD1 3.21Å; I185-N188 HydrophobicContact CG2-CB 4.45Å; I185-N188 WeakPolarHBondContact O-CB 3.33Å; I185-N188 PolarHBondContact O-N 2.71Å; I185-N188 VanDerWaalsContact O-N 3.16Å |
| 189 | S | 74.4 | Confident | 86.9 | Confident | 47 Ų | 47 | 20.1 Ų | 20.1 | 33% | 0.329 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -3.8 | 179.8 | 49.4 | 0 | 0 | 0 | 0 | 114.6 | Y187 | Y187-S189 VanDerWaalsContact C-N 3.3Å; Y187-S189 PolarHBondContact O-N 3.12Å |
| 190 | E | 81.5 | Confident | 87.3 | Confident | 6 Ų | 6 | 17.9 Ų | 17.9 | 3% | 0.028 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -91.4 | 155 | 178.6 | -63.6 | -173.1 | 173.7 | 0 | 0 | 113.1 | K167 R174 Y187 T303 | K167-E190 IonicContact NZ-OE2 2.74Å; K167-E190 PolarHBondContact NZ-OE2 3.41Å; R174-E190 VanDerWaalsContact CG-O 3.25Å; R174-E190 WeakPolarHBondContact CG-O 3.28Å; R174-E190 PolarHBondContact NE-O 3.36Å; R174-E190 IonicContact NH2-OE2 3.59Å; R174-E190 PolarHBondContact NH2-OE2 3.41Å; Y187-E190 PolarHBondContact O-N 3.45Å; E190-T303 WeakPolarHBondContact CG-OG1 3.42Å; E190-T303 PolarHBondContact OE1-OG1 3.07Å |
| 191 | Y | 89.6 | Confident | 87.7 | Confident | 46 Ų | 46 | 17.9 Ų | 17.9 | 18% | 0.18 | 9% | 0.089 | C | C | . | . | trans | -61.3 | 154.2 | 166.3 | -52.5 | -60.5 | 0 | 0 | 0 | 113.1 | K167 R171 W172 R174 | K167-Y191 WeakPolarHBondContact CD-O 3.1Å; K167-Y191 WeakPolarHBondContact CE-O 3.19Å; K167-Y191 WeakPolarHBondContact O-CD2 3.42Å; R171-Y191 VanDerWaalsContact C-CD1 3.41Å; R171-Y191 VanDerWaalsContact CA-CD1 3.43Å; R171-Y191 HydrophobicContact CB-CD1 3.97Å; R171-Y191 HydrophobicContact CB-CE1 3.66Å; R171-Y191 HydrophobicContact CB-CE2 4.3Å; R171-Y191 HydrophobicContact CB-CG 4.41Å; R171-Y191 HydrophobicContact CG-CD2 4.4Å; R171-Y191 HydrophobicContact CG-CE1 4.1Å; R171-Y191 HydrophobicContact CG-CE2 3.88Å; W172-Y191 CarbonylContact O-C 3.32Å; W172-Y191 VanDerWaalsContact O-CA 3.31Å; W172-Y191 WeakPolarHBondContact O-CA 3.31Å; W172-Y191 WeakPolarHBondContact O-CB 3.07Å; R174-Y191 PolarHBondContact NH2-O 3.19Å | ||
| 192 | S | 92 | Very high | 88.2 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | trans | -98.1 | -37.1 | -167.4 | -152.4 | 0 | 0 | 0 | 0 | 114.7 | W172 P173 P194 M243 H244 D248 | W172-S192 PolarHBondContact O-N 2.87Å; P173-S192 VanDerWaalsContact O-CB 3.3Å; P173-S192 WeakPolarHBondContact O-CB 3.37Å; S192-P194 CarbonylContact O-C 3.35Å; S192-P194 VanDerWaalsContact O-C 3.32Å; S192-M243 PolarHBondContact OG-O 3.38Å; S192-H244 PolarHBondContact O-CE1 3.36Å; S192-H244 PolarHBondContact O-ND1 3.45Å; S192-H244 PolarHBondContact OG-ND1 2.8Å; S192-D248 WeakPolarHBondContact CB-OD2 3.42Å; S192-D248 PolarHBondContact OG-OD2 3.27Å | ||
| 193 | M | 92.6 | Very high | 88.7 | Confident | 27 Ų | 27 | 15.7 Ų | 15.7 | 13% | 0.133 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -108.7 | 128.1 | -175.6 | -171.7 | 168.9 | 69.1 | 0 | 0 | 110.6 | I170 W172 L247 D248 A251 | I170-M193 HydrophobicContact CD1-CE 4.33Å; I170-M193 HydrophobicContact CG2-CE 3.77Å; W172-M193 HydrophobicContact CB-CB 3.71Å; W172-M193 HydrophobicContact CD2-CE 4.01Å; W172-M193 HydrophobicContact CE3-CE 4.15Å; W172-M193 HydrophobicContact CG-CB 3.96Å; W172-M193 HydrophobicContact CG-CE 4.3Å; M193-L247 HydrophobicContact SD-CD2 4.43Å; M193-L247 HydrophobicContact SD-CG 4.24Å; M193-D248 HydrophobicContact CB-CB 4.32Å; M193-A251 HydrophobicContact CG-CB 3.83Å; M193-A251 HydrophobicContact SD-CB 3.79Å |
| 194 | P | 96.6 | Very high | 89.3 | Confident | 4 Ų | 4 | 14.6 Ų | 14.6 | 3% | 0.026 | 7% | 0.073 | C | C | . | . | S | Bend | cis | -78.3 | 157.5 | -4.2 | 33.2 | -36.4 | 0 | 0 | 0 | 113.2 | T166 S192 T196 M199 Y255 | T166-P194 HydrophobicContact CG2-CG 4.19Å; S192-P194 CarbonylContact O-C 3.35Å; S192-P194 VanDerWaalsContact O-C 3.32Å; P194-T196 PolarHBondContact O-N 3.11Å; P194-T196 VanDerWaalsContact O-N 3.17Å; P194-M199 HydrophobicContact CB-CG 4.48Å; P194-M199 HydrophobicContact CB-SD 3.7Å; P194-M199 HydrophobicContact CG-SD 3.53Å; P194-M199 VanDerWaalsContact CG-SD 3.53Å; P194-Y255 HydrophobicContact CB-CD1 4.45Å; P194-Y255 HydrophobicContact CG-CD1 4.08Å; P194-Y255 HydrophobicContact CG-CE1 4.47Å |
| 195 | S | 96.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.069 | C | C | . | . | trans | -74.4 | 105.2 | 173.1 | -174.9 | 0 | 0 | 0 | 0 | 111.5 | H197 A198 M199 H244 D248 | S195-H197 VanDerWaalsContact C-N 3.32Å; S195-H197 PolarHBondContact O-N 2.85Å; S195-A198 WeakPolarHBondContact O-CB 3.33Å; S195-A198 PolarHBondContact O-N 2.97Å; S195-A198 VanDerWaalsContact O-N 3.08Å; S195-M199 WeakPolarHBondContact O-CG 3.28Å; S195-M199 PolarHBondContact O-N 3.09Å; S195-H244 VanDerWaalsContact CA-CE1 3.42Å; S195-H244 WeakPolarHBondContact CA-CE1 3.26Å; S195-H244 VanDerWaalsContact CB-CE1 3.44Å; S195-H244 WeakPolarHBondContact CB-CE1 3.45Å; S195-H244 WeakPolarHBondContact CB-ND1 3.37Å; S195-H244 PolarHBondContact OG-CD2 3.1Å; S195-H244 PolarHBondContact OG-CE1 2.88Å; S195-H244 VanDerWaalsContact OG-CE1 3.3Å; S195-H244 PolarHBondContact OG-NE2 2.97Å; S195-D248 PolarHBondContact N-O 2.86Å; S195-D248 VanDerWaalsContact N-O 3.07Å | ||
| 196 | T | 95.8 | Very high | 91.1 | Very high | 5 Ų | 5 | 14.2 Ų | 14.2 | 3% | 0.031 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -60.7 | -35.7 | 179.9 | 41.8 | 0 | 0 | 0 | 0 | 113.4 | Q164 K167 P194 M199 S200 | Q164-T196 HydrophobicContact CG-CG2 4.4Å; K167-T196 PolarHBondContact NZ-OG1 3.35Å; P194-T196 PolarHBondContact O-N 3.11Å; P194-T196 VanDerWaalsContact O-N 3.17Å; T196-M199 WeakPolarHBondContact O-CB 3.03Å; T196-M199 PolarHBondContact O-N 3.12Å; T196-S200 PolarHBondContact O-N 2.94Å; T196-S200 PolarHBondContact O-OG 3Å |
| 197 | H | 96.3 | Very high | 92.5 | Very high | 7 Ų | 7 | 11.2 Ų | 11.2 | 3% | 0.032 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -63.7 | -43.1 | 171.5 | -68.3 | 73.7 | 0 | 0 | 0 | 112.1 | N129 Y187 S195 M199 S200 G201 V234 R238 | N129-H197 PolarHBondContact OD1-NE2 3.09Å; Y187-H197 AromaticContact CE2-CE1 3.7Å; Y187-H197 AromaticContact CE2-NE2 3.94Å; Y187-H197 AromaticContact CZ-CE1 3.88Å; S195-H197 VanDerWaalsContact C-N 3.32Å; S195-H197 PolarHBondContact O-N 2.85Å; H197-M199 VanDerWaalsContact C-N 3.3Å; H197-M199 PolarHBondContact O-N 2.81Å; H197-S200 PolarHBondContact O-OG 3.11Å; H197-G201 WeakPolarHBondContact O-CA 2.92Å; H197-G201 PolarHBondContact O-N 3.41Å; H197-V234 HydrophobicContact CB-CG1 4.21Å; H197-V234 WeakPolarHBondContact O-CG1 3.25Å; H197-R238 VanDerWaalsContact CB-CD 3.42Å; H197-R238 HydrophobicContact CB-CG 3.71Å; H197-R238 PolarHBondContact CE1-NH2 2.83Å; H197-R238 VanDerWaalsContact CE1-NH2 3.28Å; H197-R238 PolarHBondContact ND1-NE 2.92Å; H197-R238 PolarHBondContact ND1-NH2 3.33Å |
| 198 | A | 97.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -65.6 | -36.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S195 T202 V249 | S195-A198 WeakPolarHBondContact O-CB 3.33Å; S195-A198 PolarHBondContact O-N 2.97Å; S195-A198 VanDerWaalsContact O-N 3.08Å; A198-T202 VanDerWaalsContact O-CB 3.28Å; A198-T202 WeakPolarHBondContact O-CB 3.48Å; A198-T202 PolarHBondContact O-N 2.89Å; A198-T202 PolarHBondContact O-OG1 3.07Å; A198-V249 HydrophobicContact CB-CG1 4.09Å |
| 199 | M | 98.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -61.6 | -52.5 | 175.6 | -72.1 | 175.8 | 70.8 | 0 | 0 | 112.1 | V159 P194 S195 T196 H197 T202 A203 G252 Y255 T256 I259 | V159-M199 HydrophobicContact CG1-CB 3.81Å; V159-M199 HydrophobicContact CG1-CE 4.04Å; V159-M199 VanDerWaalsContact O-CE 3.26Å; V159-M199 WeakPolarHBondContact O-CE 3.41Å; P194-M199 HydrophobicContact CB-CG 4.48Å; P194-M199 HydrophobicContact CB-SD 3.7Å; P194-M199 HydrophobicContact CG-SD 3.53Å; P194-M199 VanDerWaalsContact CG-SD 3.53Å; S195-M199 WeakPolarHBondContact O-CG 3.28Å; S195-M199 PolarHBondContact O-N 3.09Å; T196-M199 WeakPolarHBondContact O-CB 3.03Å; T196-M199 PolarHBondContact O-N 3.12Å; H197-M199 VanDerWaalsContact C-N 3.3Å; H197-M199 PolarHBondContact O-N 2.81Å; M199-T202 PolarHBondContact O-N 2.97Å; M199-A203 VanDerWaalsContact O-CB 3.26Å; M199-A203 WeakPolarHBondContact O-CB 3.29Å; M199-A203 PolarHBondContact O-N 3.26Å; M199-G252 VanDerWaalsContact CG-O 3.31Å; M199-G252 WeakPolarHBondContact CG-O 3.41Å; M199-Y255 HydrophobicContact CE-CD1 3.41Å; M199-Y255 VanDerWaalsContact CE-CD1 3.41Å; M199-Y255 HydrophobicContact CE-CE1 3.79Å; M199-Y255 HydrophobicContact CE-CG 4.32Å; M199-Y255 HydrophobicContact SD-CD1 3.97Å; M199-T256 VanDerWaalsContact C-OG1 3.31Å; M199-T256 WeakPolarHBondContact CA-OG1 3.46Å; M199-T256 VanDerWaalsContact CB-OG1 3.28Å; M199-T256 WeakPolarHBondContact CB-OG1 3.33Å; M199-T256 PolarHBondContact O-OG1 2.91Å; M199-I259 HydrophobicContact CE-CD1 3.65Å |
| 200 | S | 97.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.007 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -71.1 | -39.3 | 179.9 | 64.7 | 0 | 0 | 0 | 0 | 112.6 | Y133 T196 H197 T202 A203 I204 | Y133-S200 WeakPolarHBondContact OH-CB 3.41Å; Y133-S200 PolarHBondContact OH-OG 2.96Å; T196-S200 PolarHBondContact O-N 2.94Å; T196-S200 PolarHBondContact O-OG 3Å; H197-S200 PolarHBondContact O-OG 3.11Å; S200-T202 PolarHBondContact O-N 2.99Å; S200-A203 PolarHBondContact O-N 3.32Å; S200-A203 VanDerWaalsContact O-N 3.13Å; S200-I204 WeakPolarHBondContact O-CB 3.09Å; S200-I204 WeakPolarHBondContact O-CG1 3.45Å; S200-I204 PolarHBondContact O-N 3.3Å |
| 201 | G | 97.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 12.2 Ų | 12.2 | 1% | 0.01 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.7 | -20.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | H197 P205 S231 | H197-G201 WeakPolarHBondContact O-CA 2.92Å; H197-G201 PolarHBondContact O-N 3.41Å; G201-P205 VanDerWaalsContact O-CD 3.28Å; G201-P205 WeakPolarHBondContact O-CD 3.46Å; G201-P205 WeakPolarHBondContact O-CG 3.46Å; G201-S231 PolarHBondContact O-OG 3.02Å |
| 202 | T | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -88.8 | -43 | 168.2 | -55.8 | 0 | 0 | 0 | 0 | 111.1 | A198 M199 S200 I206 F253 T256 I257 | A198-T202 VanDerWaalsContact O-CB 3.28Å; A198-T202 WeakPolarHBondContact O-CB 3.48Å; A198-T202 PolarHBondContact O-N 2.89Å; A198-T202 PolarHBondContact O-OG1 3.07Å; M199-T202 PolarHBondContact O-N 2.97Å; S200-T202 PolarHBondContact O-N 2.99Å; T202-I206 HydrophobicContact CG2-CD1 3.71Å; T202-I206 WeakPolarHBondContact O-CD1 3.45Å; T202-I206 VanDerWaalsContact O-CG1 3.27Å; T202-I206 WeakPolarHBondContact O-CG1 3.35Å; T202-I206 PolarHBondContact O-N 3.31Å; T202-F253 HydrophobicContact CG2-CD2 3.54Å; T202-F253 HydrophobicContact CG2-CE2 3.65Å; T202-F253 HydrophobicContact CG2-CG 4.35Å; T202-F253 WeakPolarHBondContact OG1-CD2 3.4Å; T202-T256 HydrophobicContact CG2-CG2 3.71Å; T202-I257 HydrophobicContact CG2-CD1 4.27Å |
| 203 | A | 98.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.008 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -68.4 | -47.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I155 V159 M199 S200 I206 A207 T256 | I155-A203 HydrophobicContact CG2-CB 4.5Å; V159-A203 HydrophobicContact CB-CB 4.33Å; V159-A203 HydrophobicContact CG1-CB 3.97Å; V159-A203 HydrophobicContact CG2-CB 3.87Å; M199-A203 VanDerWaalsContact O-CB 3.26Å; M199-A203 WeakPolarHBondContact O-CB 3.29Å; M199-A203 PolarHBondContact O-N 3.26Å; S200-A203 PolarHBondContact O-N 3.32Å; S200-A203 VanDerWaalsContact O-N 3.13Å; A203-I206 PolarHBondContact O-N 3.4Å; A203-A207 WeakPolarHBondContact O-CB 3.31Å; A203-A207 PolarHBondContact O-N 3.24Å; A203-T256 HydrophobicContact CB-CG2 3.66Å |
| 204 | I | 97.9 | Very high | 96.7 | Very high | 4 Ų | 4 | 17.8 Ų | 17.8 | 2% | 0.021 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.8 | -54.4 | -174.7 | -67.6 | 174.7 | 0 | 0 | 0 | 111.9 | F132 Y133 F136 F137 S200 I206 A207 M208 | F132-I204 HydrophobicContact CE1-CD1 4.03Å; Y133-I204 HydrophobicContact CD1-CD1 4.26Å; Y133-I204 HydrophobicContact CE1-CD1 3.79Å; F136-I204 HydrophobicContact CE1-CG2 3.7Å; F136-I204 HydrophobicContact CZ-CG2 3.82Å; F137-I204 HydrophobicContact CZ-CD1 4.23Å; S200-I204 WeakPolarHBondContact O-CB 3.09Å; S200-I204 WeakPolarHBondContact O-CG1 3.45Å; S200-I204 PolarHBondContact O-N 3.3Å; I204-I206 VanDerWaalsContact C-N 3.33Å; I204-I206 PolarHBondContact O-N 3.28Å; I204-A207 PolarHBondContact O-N 2.83Å; I204-M208 HydrophobicContact CG2-CG 4.36Å; I204-M208 HydrophobicContact CG2-SD 3.88Å; I204-M208 WeakPolarHBondContact O-CB 3.14Å; I204-M208 WeakPolarHBondContact O-CG 3.27Å; I204-M208 PolarHBondContact O-N 3.29Å |
| 205 | P | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.5 | -31.1 | -178.7 | 27.6 | -36.4 | 0 | 0 | 0 | 113.1 | G201 I209 I227 W230 | G201-P205 VanDerWaalsContact O-CD 3.28Å; G201-P205 WeakPolarHBondContact O-CD 3.46Å; G201-P205 WeakPolarHBondContact O-CG 3.46Å; P205-I209 WeakPolarHBondContact O-CG1 3.41Å; P205-I209 PolarHBondContact O-N 3.38Å; P205-I227 HydrophobicContact CB-CG1 4.25Å; P205-W230 HydrophobicContact CB-CB 4.13Å; P205-W230 HydrophobicContact CB-CD2 4.48Å; P205-W230 HydrophobicContact CB-CG 4.15Å; P205-W230 HydrophobicContact CG-CB 4.05Å; P205-W230 HydrophobicContact CG-CG 3.9Å |
| 206 | I | 98.1 | Very high | 96.4 | Very high | 28 Ų | 28 | 21.1 Ų | 21.1 | 14% | 0.144 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -69.1 | -50.1 | 174 | -65 | 176 | 0 | 0 | 0 | 110.2 | T202 A203 I204 M208 I209 L210 I227 I257 L260 | T202-I206 HydrophobicContact CG2-CD1 3.71Å; T202-I206 WeakPolarHBondContact O-CD1 3.45Å; T202-I206 VanDerWaalsContact O-CG1 3.27Å; T202-I206 WeakPolarHBondContact O-CG1 3.35Å; T202-I206 PolarHBondContact O-N 3.31Å; A203-I206 PolarHBondContact O-N 3.4Å; I204-I206 VanDerWaalsContact C-N 3.33Å; I204-I206 PolarHBondContact O-N 3.28Å; I206-M208 VanDerWaalsContact C-N 3.32Å; I206-M208 PolarHBondContact O-N 3.22Å; I206-I209 PolarHBondContact O-N 3.07Å; I206-L210 HydrophobicContact CG2-CD1 3.77Å; I206-L210 HydrophobicContact CG2-CG 4.19Å; I206-L210 WeakPolarHBondContact O-CG 3.32Å; I206-L210 PolarHBondContact O-N 3.15Å; I206-I227 HydrophobicContact CD1-CG2 4.3Å; I206-I227 HydrophobicContact CG1-CD1 4.19Å; I206-I227 HydrophobicContact CG1-CG1 4.19Å; I206-I227 HydrophobicContact CG1-CG2 3.68Å; I206-I257 HydrophobicContact CD1-CD1 3.57Å; I206-L260 HydrophobicContact CB-CD1 4.06Å; I206-L260 HydrophobicContact CD1-CD1 4.4Å; I206-L260 HydrophobicContact CG2-CD1 3.75Å |
| 207 | A | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.3 | -39.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L152 I155 A203 I204 I209 L210 L211 | L152-A207 HydrophobicContact CD2-CB 3.74Å; I155-A207 HydrophobicContact CD1-CB 3.61Å; I155-A207 HydrophobicContact CG2-CB 4.11Å; A203-A207 WeakPolarHBondContact O-CB 3.31Å; A203-A207 PolarHBondContact O-N 3.24Å; I204-A207 PolarHBondContact O-N 2.83Å; A207-I209 PolarHBondContact O-N 3.24Å; A207-L210 PolarHBondContact O-N 2.96Å; A207-L211 VanDerWaalsContact O-CB 3.25Å; A207-L211 WeakPolarHBondContact O-CB 3.47Å; A207-L211 WeakPolarHBondContact O-CD1 3.27Å; A207-L211 WeakPolarHBondContact O-CG 3.21Å; A207-L211 PolarHBondContact O-N 2.75Å |
| 208 | M | 97 | Very high | 96.1 | Very high | 19 Ų | 19 | 27.6 Ų | 27.6 | 9% | 0.094 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -52.7 | -54.2 | 172.9 | -78.8 | 167.9 | 50.6 | 0 | 0 | 110.9 | F136 W140 L152 I204 I206 L211 T212 L226 | F136-M208 HydrophobicContact CE2-SD 4.26Å; F136-M208 HydrophobicContact CZ-CG 4.35Å; F136-M208 HydrophobicContact CZ-SD 3.71Å; W140-M208 HydrophobicContact CH2-CB 4.26Å; W140-M208 HydrophobicContact CH2-CE 3.93Å; W140-M208 HydrophobicContact CH2-CG 3.78Å; W140-M208 HydrophobicContact CH2-SD 4.37Å; W140-M208 HydrophobicContact CZ3-CE 3.69Å; W140-M208 HydrophobicContact CZ3-CG 3.76Å; W140-M208 HydrophobicContact CZ3-SD 3.88Å; L152-M208 HydrophobicContact CD1-CG 3.98Å; L152-M208 HydrophobicContact CD2-CB 4.47Å; L152-M208 HydrophobicContact CD2-CG 3.83Å; I204-M208 HydrophobicContact CG2-CG 4.36Å; I204-M208 HydrophobicContact CG2-SD 3.88Å; I204-M208 WeakPolarHBondContact O-CB 3.14Å; I204-M208 WeakPolarHBondContact O-CG 3.27Å; I204-M208 PolarHBondContact O-N 3.29Å; I206-M208 VanDerWaalsContact C-N 3.32Å; I206-M208 PolarHBondContact O-N 3.22Å; M208-L211 PolarHBondContact O-N 3.06Å; M208-T212 PolarHBondContact O-N 2.78Å; M208-T212 PolarHBondContact O-OG1 3.22Å; M208-L226 HydrophobicContact CE-CD2 3.58Å |
| 209 | I | 97.1 | Very high | 95.9 | Very high | 20 Ų | 20 | 30.8 Ų | 30.8 | 10% | 0.103 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -70 | -36.9 | -176.3 | -61.4 | -59.2 | 0 | 0 | 0 | 111.9 | P205 I206 A207 L211 Y213 Y218 L220 I227 | P205-I209 WeakPolarHBondContact O-CG1 3.41Å; P205-I209 PolarHBondContact O-N 3.38Å; I206-I209 PolarHBondContact O-N 3.07Å; A207-I209 PolarHBondContact O-N 3.24Å; I209-L211 VanDerWaalsContact C-N 3.29Å; I209-L211 PolarHBondContact O-N 3.22Å; I209-Y213 WeakPolarHBondContact O-CB 3.48Å; I209-Y213 PolarHBondContact O-N 3.11Å; I209-Y218 HydrophobicContact CD1-CE2 4.14Å; I209-L220 HydrophobicContact CG2-CD1 4.28Å; I209-I227 HydrophobicContact CB-CD1 4.11Å; I209-I227 HydrophobicContact CG1-CD1 3.99Å; I209-I227 HydrophobicContact CG1-CG1 4.23Å; I209-I227 HydrophobicContact CG2-CD1 4.41Å |
| 210 | L | 96.6 | Very high | 95.7 | Very high | 82 Ų | 82 | 34 Ų | 34 | 43% | 0.429 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.4 | -36.5 | 173.9 | -70.2 | 174.7 | 0 | 0 | 0 | 112.5 | I206 A207 Y264 | I206-L210 HydrophobicContact CG2-CD1 3.77Å; I206-L210 HydrophobicContact CG2-CG 4.19Å; I206-L210 WeakPolarHBondContact O-CG 3.32Å; I206-L210 PolarHBondContact O-N 3.15Å; A207-L210 PolarHBondContact O-N 2.96Å; L210-Y264 HydrophobicContact CB-CD2 4.49Å; L210-Y264 HydrophobicContact CB-CE2 3.7Å; L210-Y264 HydrophobicContact CD1-CD2 4.06Å; L210-Y264 HydrophobicContact CD1-CE2 4.08Å; L210-Y264 HydrophobicContact CD1-CG 4.32Å; L210-Y264 PolarHBondContact O-OH 3.36Å; L210-Y264 VanDerWaalsContact O-OH 3.1Å |
| 211 | L | 95.6 | Very high | 95.6 | Very high | 11 Ų | 11 | 38.3 Ų | 38.3 | 6% | 0.058 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -87.6 | -24.4 | -176.7 | -67.4 | 170.7 | 0 | 0 | 0 | 114.4 | V148 R151 L152 I155 A207 M208 I209 Y264 | V148-L211 HydrophobicContact CB-CB 4.49Å; V148-L211 HydrophobicContact CG1-CB 3.76Å; V148-L211 HydrophobicContact CG1-CD1 4.12Å; V148-L211 HydrophobicContact CG2-CB 4.16Å; R151-L211 HydrophobicContact CB-CD1 3.58Å; R151-L211 HydrophobicContact CB-CD2 4.03Å; R151-L211 HydrophobicContact CB-CG 4.46Å; R151-L211 HydrophobicContact CG-CD2 4.46Å; L152-L211 HydrophobicContact CD2-CD1 4.03Å; L152-L211 HydrophobicContact CG-CD1 4.1Å; I155-L211 HydrophobicContact CD1-CD1 4.12Å; A207-L211 VanDerWaalsContact O-CB 3.25Å; A207-L211 WeakPolarHBondContact O-CB 3.47Å; A207-L211 WeakPolarHBondContact O-CD1 3.27Å; A207-L211 WeakPolarHBondContact O-CG 3.21Å; A207-L211 PolarHBondContact O-N 2.75Å; M208-L211 PolarHBondContact O-N 3.06Å; I209-L211 VanDerWaalsContact C-N 3.29Å; I209-L211 PolarHBondContact O-N 3.22Å; L211-Y264 HydrophobicContact CD2-CE2 3.81Å; L211-Y264 HydrophobicContact CG-CE2 4.09Å |
| 212 | T | 95.2 | Very high | 95.4 | Very high | 13 Ų | 13 | 45.1 Ų | 45.1 | 8% | 0.08 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -101.2 | -24.8 | 178.6 | 59.9 | 0 | 0 | 0 | 0 | 114.2 | W140 V148 M208 G214 R215 W216 Y218 | W140-T212 HydrophobicContact CH2-CG2 4.31Å; W140-T212 HydrophobicContact CZ2-CG2 3.76Å; V148-T212 HydrophobicContact CG1-CG2 4.07Å; V148-T212 HydrophobicContact CG2-CG2 4.18Å; M208-T212 PolarHBondContact O-N 2.78Å; M208-T212 PolarHBondContact O-OG1 3.22Å; T212-G214 PolarHBondContact O-N 2.88Å; T212-R215 PolarHBondContact O-N 2.92Å; T212-W216 PolarHBondContact O-N 3.15Å; T212-Y218 PolarHBondContact OG1-OH 3.4Å |
| 213 | Y | 93.3 | Very high | 95.3 | Very high | 126 Ų | 126 | 45.1 Ų | 45.1 | 49% | 0.494 | 23% | 0.225 | S | C | . | . | B | Isolated β-bridge | trans | -66.8 | 128.9 | -179.4 | -173.4 | -117.1 | 0 | 0 | 0 | 110.9 | I209 R215 Y218 L220 | I209-Y213 WeakPolarHBondContact O-CB 3.48Å; I209-Y213 PolarHBondContact O-N 3.11Å; Y213-R215 PolarHBondContact O-N 3.29Å; Y213-R215 VanDerWaalsContact O-N 3.13Å; Y213-Y218 WeakPolarHBondContact CA-OH 3.26Å; Y213-Y218 PolarHBondContact N-OH 2.87Å; Y213-L220 HydrophobicContact CD1-CD1 4.39Å; Y213-L220 HydrophobicContact CD2-CB 4.4Å; Y213-L220 HydrophobicContact CD2-CD1 4Å; Y213-L220 HydrophobicContact CE1-CD1 4.4Å; Y213-L220 HydrophobicContact CE2-CB 3.76Å; Y213-L220 HydrophobicContact CE2-CD1 4.04Å; Y213-L220 HydrophobicContact CE2-CG 4.34Å; Y213-L220 HydrophobicContact CG-CD1 4.2Å |
| 214 | G | 91.1 | Very high | 95.1 | Very high | 52 Ų | 52 | 50.1 Ų | 50.1 | 54% | 0.536 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | -19.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | T212 P340 | T212-G214 PolarHBondContact O-N 2.88Å; G214-P340 WeakPolarHBondContact O-CB 3.31Å |
| 215 | R | 93.1 | Very high | 95.1 | Very high | 17 Ų | 17 | 54.4 Ų | 54.4 | 6% | 0.064 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -34.8 | 169 | -177.1 | 173.1 | 169 | 84.4 | 3.6 | 112.2 | D145 F147 T212 Y213 L339 P340 L341 | D145-R215 IonicContact OD1-CZ 3.44Å; D145-R215 IonicContact OD1-NE 3.09Å; D145-R215 IonicContact OD1-NH2 2.77Å; D145-R215 PolarHBondContact OD1-NH2 2.93Å; D145-R215 IonicContact OD2-CZ 3.68Å; D145-R215 IonicContact OD2-NE 3.87Å; D145-R215 PolarHBondContact OD2-NE 3.03Å; D145-R215 IonicContact OD2-NH2 2.77Å; D145-R215 PolarHBondContact OD2-NH2 3.36Å; F147-R215 VanDerWaalsContact CB-NH2 3.3Å; F147-R215 VanDerWaalsContact CD1-CZ 3.49Å; T212-R215 PolarHBondContact O-N 2.92Å; Y213-R215 PolarHBondContact O-N 3.29Å; Y213-R215 VanDerWaalsContact O-N 3.13Å; R215-L339 HydrophobicContact CG-CD2 4.1Å; R215-P340 WeakPolarHBondContact O-CA 3.37Å; R215-L341 WeakPolarHBondContact O-CB 3.39Å; R215-L341 PolarHBondContact O-N 3.31Å |
| 216 | W | 93.3 | Very high | 95 | Very high | 57 Ų | 57 | 57 Ų | 57 | 22% | 0.216 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -120.4 | 146.1 | 176.4 | -73.9 | 86.5 | 0 | 0 | 0 | 111.5 | D145 T212 Y218 L341 | D145-W216 HydrophobicContact CB-CZ2 4.15Å; D145-W216 PolarHBondContact OD2-NE1 3.2Å; T212-W216 PolarHBondContact O-N 3.15Å; W216-Y218 HydrophobicContact CB-CD1 3.96Å; W216-Y218 HydrophobicContact CB-CE1 4.19Å; W216-Y218 PolarHBondContact O-N 3.08Å; W216-Y218 VanDerWaalsContact O-N 3.16Å; W216-L341 CarbonylContact C-O 3.6Å; W216-L341 WeakPolarHBondContact CA-O 3.33Å; W216-L341 HydrophobicContact CD2-CB 3.75Å; W216-L341 HydrophobicContact CD2-CD1 4.12Å; W216-L341 HydrophobicContact CE3-CB 3.63Å; W216-L341 HydrophobicContact CG-CB 4.32Å; W216-L341 HydrophobicContact CH2-CB 4.27Å; W216-L341 HydrophobicContact CH2-CD1 4.19Å; W216-L341 HydrophobicContact CZ2-CB 4.37Å; W216-L341 HydrophobicContact CZ2-CD1 3.65Å; W216-L341 HydrophobicContact CZ3-CB 3.9Å |
| 217 | Q | 92.4 | Very high | 95 | Very high | 108 Ų | 108 | 57.6 Ų | 57.6 | 51% | 0.505 | 29% | 0.29 | S | S | . | . | trans | -80.9 | 90 | 179.3 | -62.5 | -177.1 | 26.3 | 0 | 0 | 111.6 | P340 L341 | Q217-P340 HydrophobicContact CG-CB 3.75Å; Q217-P340 HydrophobicContact CG-CG 3.75Å; Q217-P340 PolarHBondContact NE2-O 3.21Å; Q217-L341 PolarHBondContact N-O 3.25Å | ||
| 218 | Y | 93.2 | Very high | 95 | Very high | 39 Ų | 39 | 60.6 Ų | 60.6 | 15% | 0.153 | 31% | 0.309 | C | S | . | . | trans | -147 | 152.8 | 170.1 | 70.1 | -83.5 | 0 | 0 | 0 | 112.7 | I209 T212 Y213 W216 Y222 | I209-Y218 HydrophobicContact CD1-CE2 4.14Å; T212-Y218 PolarHBondContact OG1-OH 3.4Å; Y213-Y218 WeakPolarHBondContact CA-OH 3.26Å; Y213-Y218 PolarHBondContact N-OH 2.87Å; W216-Y218 HydrophobicContact CB-CD1 3.96Å; W216-Y218 HydrophobicContact CB-CE1 4.19Å; W216-Y218 PolarHBondContact O-N 3.08Å; W216-Y218 VanDerWaalsContact O-N 3.16Å; Y218-Y222 HydrophobicContact CD2-CD2 4.16Å | ||
| 219 | P | 93.6 | Very high | 95 | Very high | 67 Ų | 67 | 63.5 Ų | 63.5 | 44% | 0.435 | 33% | 0.331 | S | S | . | . | trans | -63.1 | 130.3 | 175.4 | -26.2 | 36.1 | 0 | 0 | 0 | 114.2 | I221 Y222 | P219-I221 HydrophobicContact CB-CG2 3.72Å; P219-I221 PolarHBondContact O-N 3.27Å; P219-Y222 HydrophobicContact CG-CE2 4.22Å; P219-Y222 PolarHBondContact O-N 3.27Å | ||
| 220 | L | 93.8 | Very high | 95 | Very high | 68 Ų | 68 | 64.4 Ų | 64.4 | 36% | 0.356 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -29.4 | 178.8 | -177.7 | 59.6 | 0 | 0 | 0 | 113.7 | I209 Y213 Y222 G223 L224 | I209-L220 HydrophobicContact CG2-CD1 4.28Å; Y213-L220 HydrophobicContact CD1-CD1 4.39Å; Y213-L220 HydrophobicContact CD2-CB 4.4Å; Y213-L220 HydrophobicContact CD2-CD1 4Å; Y213-L220 HydrophobicContact CE1-CD1 4.4Å; Y213-L220 HydrophobicContact CE2-CB 3.76Å; Y213-L220 HydrophobicContact CE2-CD1 4.04Å; Y213-L220 HydrophobicContact CE2-CG 4.34Å; Y213-L220 HydrophobicContact CG-CD1 4.2Å; L220-Y222 PolarHBondContact O-N 2.87Å; L220-Y222 VanDerWaalsContact O-N 3.15Å; L220-G223 WeakPolarHBondContact O-CA 3.16Å; L220-G223 PolarHBondContact O-N 3.41Å; L220-L224 HydrophobicContact CG-CD1 4.31Å; L220-L224 HydrophobicContact CG-CG 4.28Å; L220-L224 PolarHBondContact O-N 2.88Å; L220-L224 VanDerWaalsContact O-N 3.08Å |
| 221 | I | 96.2 | Very high | 95.1 | Very high | 91 Ų | 91 | 60.7 Ų | 60.7 | 47% | 0.467 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -55.2 | -30 | 176.6 | -175 | 59.4 | 0 | 0 | 0 | 113 | P219 G223 L224 I225 | P219-I221 HydrophobicContact CB-CG2 3.72Å; P219-I221 PolarHBondContact O-N 3.27Å; I221-G223 VanDerWaalsContact C-N 3.32Å; I221-G223 PolarHBondContact O-N 2.86Å; I221-L224 HydrophobicContact CD1-CB 4.32Å; I221-L224 PolarHBondContact O-N 3.11Å; I221-I225 HydrophobicContact CD1-CD1 4.26Å; I221-I225 HydrophobicContact CD1-CG1 4.27Å; I221-I225 HydrophobicContact CG1-CD1 4.01Å; I221-I225 HydrophobicContact CG1-CG1 4.48Å; I221-I225 WeakPolarHBondContact O-CG1 3.49Å; I221-I225 PolarHBondContact O-N 2.93Å |
| 222 | Y | 94.5 | Very high | 95.2 | Very high | 145 Ų | 145 | 63 Ų | 63 | 57% | 0.569 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64.2 | -38.4 | 174.4 | -60.8 | -16.6 | 0 | 0 | 0 | 111.7 | Y218 P219 L220 I225 L226 | Y218-Y222 HydrophobicContact CD2-CD2 4.16Å; P219-Y222 HydrophobicContact CG-CE2 4.22Å; P219-Y222 PolarHBondContact O-N 3.27Å; L220-Y222 PolarHBondContact O-N 2.87Å; L220-Y222 VanDerWaalsContact O-N 3.15Å; Y222-I225 PolarHBondContact O-N 3.4Å; Y222-L226 WeakPolarHBondContact O-CB 3.1Å; Y222-L226 PolarHBondContact O-N 3.14Å |
| 223 | G | 94.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -69.7 | -40.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | L220 I221 I225 L226 I227 | L220-G223 WeakPolarHBondContact O-CA 3.16Å; L220-G223 PolarHBondContact O-N 3.41Å; I221-G223 VanDerWaalsContact C-N 3.32Å; I221-G223 PolarHBondContact O-N 2.86Å; G223-I225 PolarHBondContact O-N 3.3Å; G223-L226 PolarHBondContact O-N 2.9Å; G223-I227 WeakPolarHBondContact O-CB 3.25Å; G223-I227 WeakPolarHBondContact O-CG1 3.27Å; G223-I227 PolarHBondContact O-N 3.24Å |
| 224 | L | 95 | Very high | 95.5 | Very high | 105 Ų | 105 | 57.9 Ų | 57.9 | 55% | 0.55 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66 | -20.5 | 176.8 | -62.4 | 175.8 | 0 | 0 | 0 | 113.5 | L220 I221 P228 | L220-L224 HydrophobicContact CG-CD1 4.31Å; L220-L224 HydrophobicContact CG-CG 4.28Å; L220-L224 PolarHBondContact O-N 2.88Å; L220-L224 VanDerWaalsContact O-N 3.08Å; I221-L224 HydrophobicContact CD1-CB 4.32Å; I221-L224 PolarHBondContact O-N 3.11Å; L224-P228 WeakPolarHBondContact O-CD 3.43Å; L224-P228 WeakPolarHBondContact O-CG 3.43Å |
| 225 | I | 97.4 | Very high | 95.8 | Very high | 94 Ų | 94 | 56.2 Ų | 56.2 | 48% | 0.482 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -88.3 | -48 | 169.4 | -66.2 | 165.9 | 0 | 0 | 0 | 110.4 | I221 Y222 G223 I227 P228 C229 | I221-I225 HydrophobicContact CD1-CD1 4.26Å; I221-I225 HydrophobicContact CD1-CG1 4.27Å; I221-I225 HydrophobicContact CG1-CD1 4.01Å; I221-I225 HydrophobicContact CG1-CG1 4.48Å; I221-I225 WeakPolarHBondContact O-CG1 3.49Å; I221-I225 PolarHBondContact O-N 2.93Å; Y222-I225 PolarHBondContact O-N 3.4Å; G223-I225 PolarHBondContact O-N 3.3Å; I225-I227 PolarHBondContact O-N 3.28Å; I225-P228 WeakPolarHBondContact O-CD 3.3Å; I225-P228 WeakPolarHBondContact O-CG 3.48Å; I225-C229 VanDerWaalsContact O-CB 3.29Å; I225-C229 WeakPolarHBondContact O-CB 3.41Å; I225-C229 PolarHBondContact O-N 3.48Å; I225-C229 VanDerWaalsContact O-N 3.14Å; I225-C229 PolarHBondContact O-SG 2.96Å |
| 226 | L | 96.7 | Very high | 96 | Very high | 56 Ų | 56 | 58.7 Ų | 58.7 | 29% | 0.293 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.2 | -47.1 | -175 | -177.1 | 66 | 0 | 0 | 0 | 112.7 | M208 Y222 G223 C229 W230 | M208-L226 HydrophobicContact CE-CD2 3.58Å; Y222-L226 WeakPolarHBondContact O-CB 3.1Å; Y222-L226 PolarHBondContact O-N 3.14Å; G223-L226 PolarHBondContact O-N 2.9Å; L226-C229 PolarHBondContact O-N 3.33Å; L226-W230 HydrophobicContact CD1-CE3 4.03Å; L226-W230 WeakPolarHBondContact O-CB 3.49Å; L226-W230 PolarHBondContact O-N 2.93Å |
| 227 | I | 97.5 | Very high | 96.2 | Very high | 40 Ų | 40 | 56 Ų | 56 | 21% | 0.205 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.2 | -57.9 | -177 | -68.7 | 164.7 | 0 | 0 | 0 | 111.8 | P205 I206 I209 G223 I225 S231 | P205-I227 HydrophobicContact CB-CG1 4.25Å; I206-I227 HydrophobicContact CD1-CG2 4.3Å; I206-I227 HydrophobicContact CG1-CD1 4.19Å; I206-I227 HydrophobicContact CG1-CG1 4.19Å; I206-I227 HydrophobicContact CG1-CG2 3.68Å; I209-I227 HydrophobicContact CB-CD1 4.11Å; I209-I227 HydrophobicContact CG1-CD1 3.99Å; I209-I227 HydrophobicContact CG1-CG1 4.23Å; I209-I227 HydrophobicContact CG2-CD1 4.41Å; G223-I227 WeakPolarHBondContact O-CB 3.25Å; G223-I227 WeakPolarHBondContact O-CG1 3.27Å; G223-I227 PolarHBondContact O-N 3.24Å; I225-I227 PolarHBondContact O-N 3.28Å; I227-S231 WeakPolarHBondContact O-CB 3.24Å; I227-S231 PolarHBondContact O-N 2.71Å; I227-S231 PolarHBondContact O-OG 3.16Å |
| 228 | P | 97.5 | Very high | 96.4 | Very high | 63 Ų | 63 | 50.8 Ų | 50.8 | 41% | 0.409 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.5 | -36.8 | -179.8 | 25.7 | -34.2 | 0 | 0 | 0 | 112.7 | L224 I225 S232 | L224-P228 WeakPolarHBondContact O-CD 3.43Å; L224-P228 WeakPolarHBondContact O-CG 3.43Å; I225-P228 WeakPolarHBondContact O-CD 3.3Å; I225-P228 WeakPolarHBondContact O-CG 3.48Å; P228-S232 WeakPolarHBondContact O-CB 3.32Å; P228-S232 PolarHBondContact O-N 2.74Å; P228-S232 PolarHBondContact O-OG 3.18Å |
| 229 | C | 97.6 | Very high | 96.5 | Very high | 80 Ų | 80 | 49.5 Ų | 49.5 | 54% | 0.541 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.3 | -48.6 | 178.2 | -72.7 | 0 | 0 | 0 | 0 | 112 | I225 L226 L233 | I225-C229 VanDerWaalsContact O-CB 3.29Å; I225-C229 WeakPolarHBondContact O-CB 3.41Å; I225-C229 PolarHBondContact O-N 3.48Å; I225-C229 VanDerWaalsContact O-N 3.14Å; I225-C229 PolarHBondContact O-SG 2.96Å; L226-C229 PolarHBondContact O-N 3.33Å; C229-L233 WeakPolarHBondContact O-CB 3.38Å; C229-L233 PolarHBondContact O-N 3.46Å |
| 230 | W | 97.9 | Very high | 96.6 | Very high | 38 Ų | 38 | 46.3 Ų | 46.3 | 14% | 0.144 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.3 | -52.2 | 177.8 | -170.4 | -58.5 | 0 | 0 | 0 | 111.3 | L127 F132 P205 L226 S232 L233 V234 | L127-W230 HydrophobicContact CB-CZ2 4.41Å; L127-W230 HydrophobicContact CD1-CD2 4.38Å; L127-W230 HydrophobicContact CD1-CZ2 4.24Å; L127-W230 HydrophobicContact CD2-CH2 4.06Å; L127-W230 HydrophobicContact CD2-CZ2 3.87Å; L127-W230 HydrophobicContact CG-CZ2 4.4Å; F132-W230 HydrophobicContact CE1-CZ2 4.04Å; F132-W230 AromaticContact CE2-CH2 3.72Å; F132-W230 HydrophobicContact CE2-CH2 3.72Å; F132-W230 AromaticContact CE2-CZ2 3.89Å; F132-W230 HydrophobicContact CE2-CZ2 3.89Å; F132-W230 AromaticContact CZ-CH2 3.52Å; F132-W230 HydrophobicContact CZ-CH2 3.52Å; F132-W230 AromaticContact CZ-CZ2 3.4Å; F132-W230 HydrophobicContact CZ-CZ2 3.4Å; F132-W230 VanDerWaalsContact CZ-CZ2 3.4Å; P205-W230 HydrophobicContact CB-CB 4.13Å; P205-W230 HydrophobicContact CB-CD2 4.48Å; P205-W230 HydrophobicContact CB-CG 4.15Å; P205-W230 HydrophobicContact CG-CB 4.05Å; P205-W230 HydrophobicContact CG-CG 3.9Å; L226-W230 HydrophobicContact CD1-CE3 4.03Å; L226-W230 WeakPolarHBondContact O-CB 3.49Å; L226-W230 PolarHBondContact O-N 2.93Å; W230-S232 VanDerWaalsContact C-N 3.33Å; W230-S232 PolarHBondContact O-N 3.33Å; W230-L233 PolarHBondContact O-N 3.28Å; W230-V234 WeakPolarHBondContact O-CG2 3.17Å; W230-V234 PolarHBondContact O-N 3.39Å |
| 231 | S | 97.6 | Very high | 96.5 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 3% | 0.028 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.4 | -44.3 | -176.8 | -51.7 | 0 | 0 | 0 | 0 | 111 | G201 I227 V234 C235 | G201-S231 PolarHBondContact O-OG 3.02Å; I227-S231 WeakPolarHBondContact O-CB 3.24Å; I227-S231 PolarHBondContact O-N 2.71Å; I227-S231 PolarHBondContact O-OG 3.16Å; S231-V234 PolarHBondContact O-N 3.41Å; S231-C235 WeakPolarHBondContact O-CB 3.39Å; S231-C235 PolarHBondContact O-N 2.81Å; S231-C235 PolarHBondContact O-SG 2.85Å |
| 232 | S | 97.2 | Very high | 96.4 | Very high | 59 Ų | 59 | 39.1 Ų | 39.1 | 41% | 0.413 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.4 | -40.8 | 178.3 | -55.2 | 0 | 0 | 0 | 0 | 112.2 | P228 W230 V234 C235 L236 | P228-S232 WeakPolarHBondContact O-CB 3.32Å; P228-S232 PolarHBondContact O-N 2.74Å; P228-S232 PolarHBondContact O-OG 3.18Å; W230-S232 VanDerWaalsContact C-N 3.33Å; W230-S232 PolarHBondContact O-N 3.33Å; S232-V234 PolarHBondContact O-N 3.19Å; S232-C235 PolarHBondContact O-N 2.87Å; S232-L236 VanDerWaalsContact O-CB 3.25Å; S232-L236 WeakPolarHBondContact O-CB 3.37Å; S232-L236 WeakPolarHBondContact O-CG 3.46Å; S232-L236 PolarHBondContact O-N 2.75Å |
| 233 | L | 97.8 | Very high | 96.3 | Very high | 32 Ų | 32 | 32.2 Ų | 32.2 | 17% | 0.168 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.4 | -45.3 | 178.1 | 176.1 | 59.8 | 0 | 0 | 0 | 111.6 | L120 F123 L127 C229 W230 S237 | L120-L233 HydrophobicContact CD1-CD1 3.67Å; L120-L233 HydrophobicContact CD1-CD2 4.4Å; L120-L233 HydrophobicContact CG-CD1 3.74Å; F123-L233 HydrophobicContact CD1-CD2 4.05Å; F123-L233 HydrophobicContact CE1-CD2 4.19Å; L127-L233 HydrophobicContact CD1-CD2 4.14Å; C229-L233 WeakPolarHBondContact O-CB 3.38Å; C229-L233 PolarHBondContact O-N 3.46Å; W230-L233 PolarHBondContact O-N 3.28Å; L233-S237 WeakPolarHBondContact O-CB 3.08Å; L233-S237 PolarHBondContact O-N 3.24Å; L233-S237 VanDerWaalsContact O-N 3.09Å |
| 234 | V | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -72.6 | -41 | 177.5 | -175.4 | 0 | 0 | 0 | 0 | 111.6 | G124 L127 H197 W230 S231 S232 L236 S237 R238 | G124-V234 WeakPolarHBondContact O-CA 3.42Å; L127-V234 HydrophobicContact CB-CG2 3.9Å; L127-V234 HydrophobicContact CD1-CG2 4.12Å; H197-V234 HydrophobicContact CB-CG1 4.21Å; H197-V234 WeakPolarHBondContact O-CG1 3.25Å; W230-V234 WeakPolarHBondContact O-CG2 3.17Å; W230-V234 PolarHBondContact O-N 3.39Å; S231-V234 PolarHBondContact O-N 3.41Å; S232-V234 PolarHBondContact O-N 3.19Å; V234-L236 PolarHBondContact O-N 2.88Å; V234-S237 PolarHBondContact O-N 3.37Å; V234-S237 PolarHBondContact O-OG 3.44Å; V234-R238 WeakPolarHBondContact O-CG 3.21Å; V234-R238 PolarHBondContact O-N 2.86Å |
| 235 | C | 97.3 | Very high | 96.3 | Very high | 17 Ų | 17 | 27.4 Ų | 27.4 | 12% | 0.115 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.4 | -44.6 | 177.9 | -73.7 | 0 | 0 | 0 | 0 | 112.5 | S231 S232 V249 | S231-C235 WeakPolarHBondContact O-CB 3.39Å; S231-C235 PolarHBondContact O-N 2.81Å; S231-C235 PolarHBondContact O-SG 2.85Å; S232-C235 PolarHBondContact O-N 2.87Å; C235-V249 HydrophobicContact CB-CG1 3.47Å; C235-V249 VanDerWaalsContact CB-CG1 3.47Å |
| 236 | L | 97.1 | Very high | 96.3 | Very high | 69 Ų | 69 | 25.2 Ų | 25.2 | 36% | 0.361 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -73.4 | -32.1 | -179.9 | -66.7 | 172.8 | 0 | 0 | 0 | 112.4 | F23 F121 S232 V234 R238 I239 Y240 | F23-L236 HydrophobicContact CE2-CD2 4.19Å; F23-L236 HydrophobicContact CZ-CB 4.18Å; F23-L236 HydrophobicContact CZ-CD2 3.88Å; F121-L236 HydrophobicContact CD1-CB 4.49Å; F121-L236 HydrophobicContact CE1-CB 3.61Å; F121-L236 HydrophobicContact CZ-CB 4.18Å; S232-L236 VanDerWaalsContact O-CB 3.25Å; S232-L236 WeakPolarHBondContact O-CB 3.37Å; S232-L236 WeakPolarHBondContact O-CG 3.46Å; S232-L236 PolarHBondContact O-N 2.75Å; V234-L236 PolarHBondContact O-N 2.88Å; L236-R238 VanDerWaalsContact C-N 3.29Å; L236-R238 PolarHBondContact O-N 3.44Å; L236-I239 PolarHBondContact O-N 2.86Å; L236-Y240 WeakPolarHBondContact O-CB 3.44Å; L236-Y240 PolarHBondContact O-N 2.66Å |
| 237 | S | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.8 | -38.5 | 176.2 | 75.7 | 0 | 0 | 0 | 0 | 112.1 | F121 G124 T125 L233 V234 I239 Y240 M241 | F121-S237 WeakPolarHBondContact O-CB 3.15Å; G124-S237 VanDerWaalsContact C-OG 3.23Å; G124-S237 PolarHBondContact O-OG 3.21Å; T125-S237 WeakPolarHBondContact OG1-CB 3.32Å; T125-S237 PolarHBondContact OG1-OG 2.83Å; L233-S237 WeakPolarHBondContact O-CB 3.08Å; L233-S237 PolarHBondContact O-N 3.24Å; L233-S237 VanDerWaalsContact O-N 3.09Å; V234-S237 PolarHBondContact O-N 3.37Å; V234-S237 PolarHBondContact O-OG 3.44Å; S237-I239 VanDerWaalsContact C-N 3.32Å; S237-I239 PolarHBondContact O-N 2.89Å; S237-Y240 PolarHBondContact O-N 2.89Å; S237-M241 VanDerWaalsContact O-CG 3.31Å; S237-M241 WeakPolarHBondContact O-CG 3.28Å; S237-M241 PolarHBondContact O-N 3.19Å |
| 238 | R | 96.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.8 | -31.5 | 179.6 | -60.2 | -31.4 | -82.4 | 138.7 | -8.9 | 113.6 | T125 E184 H197 V234 L236 M243 H244 V249 | T125-R238 VanDerWaalsContact CG2-NH1 3.26Å; E184-R238 IonicContact OE2-CZ 2.89Å; E184-R238 IonicContact OE2-NH1 2.73Å; E184-R238 PolarHBondContact OE2-NH1 2.71Å; E184-R238 IonicContact OE2-NH2 3.77Å; E184-R238 PolarHBondContact OE2-NH2 3.39Å; H197-R238 VanDerWaalsContact CB-CD 3.42Å; H197-R238 HydrophobicContact CB-CG 3.71Å; H197-R238 PolarHBondContact CE1-NH2 2.83Å; H197-R238 VanDerWaalsContact CE1-NH2 3.28Å; H197-R238 PolarHBondContact ND1-NE 2.92Å; H197-R238 PolarHBondContact ND1-NH2 3.33Å; V234-R238 WeakPolarHBondContact O-CG 3.21Å; V234-R238 PolarHBondContact O-N 2.86Å; L236-R238 VanDerWaalsContact C-N 3.29Å; L236-R238 PolarHBondContact O-N 3.44Å; R238-M243 PolarHBondContact O-N 3.49Å; R238-M243 VanDerWaalsContact O-N 3.16Å; R238-H244 HydrophobicContact CB-CB 4.18Å; R238-H244 PolarHBondContact O-N 3.5Å; R238-V249 HydrophobicContact CB-CG2 4.28Å |
| 239 | I | 96.2 | Very high | 96.3 | Very high | 11 Ų | 11 | 19.6 Ų | 19.6 | 6% | 0.056 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -75.8 | -42.6 | 173 | -52.5 | 170.1 | 0 | 0 | 0 | 109.4 | V20 F23 L236 S237 M241 G242 I246 V249 | V20-I239 HydrophobicContact CB-CG2 4.38Å; V20-I239 HydrophobicContact CG1-CG2 3.98Å; V20-I239 VanDerWaalsContact CG1-O 3.3Å; V20-I239 WeakPolarHBondContact CG1-O 3.17Å; V20-I239 HydrophobicContact CG2-CG2 4.32Å; F23-I239 HydrophobicContact CB-CG2 4.21Å; F23-I239 HydrophobicContact CD1-CB 3.96Å; F23-I239 HydrophobicContact CD1-CG2 3.53Å; F23-I239 HydrophobicContact CE1-CB 4.1Å; F23-I239 HydrophobicContact CE1-CG2 4.17Å; F23-I239 HydrophobicContact CG-CG2 4.07Å; L236-I239 PolarHBondContact O-N 2.86Å; S237-I239 VanDerWaalsContact C-N 3.32Å; S237-I239 PolarHBondContact O-N 2.89Å; I239-M241 PolarHBondContact O-N 2.61Å; I239-G242 PolarHBondContact O-N 2.81Å; I239-I246 HydrophobicContact CD1-CG1 4.27Å; I239-V249 HydrophobicContact CD1-CG2 4.47Å; I239-V249 HydrophobicContact CG1-CG2 4.05Å |
| 240 | Y | 95 | Very high | 96.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.5 | -43.1 | 177.3 | -178.5 | -99 | 0 | 0 | 0 | 113 | Q24 C27 V29 Y118 F121 L183 L236 S237 G242 | Q24-Y240 WeakPolarHBondContact CG-O 3.48Å; Q24-Y240 PolarHBondContact NE2-O 2.95Å; C27-Y240 HydrophobicContact CB-CD2 3.57Å; C27-Y240 HydrophobicContact CB-CE2 3.48Å; C27-Y240 VanDerWaalsContact CB-CE2 3.48Å; V29-Y240 HydrophobicContact CG2-CD2 4.25Å; V29-Y240 HydrophobicContact CG2-CE1 4.37Å; V29-Y240 HydrophobicContact CG2-CE2 3.36Å; V29-Y240 VanDerWaalsContact CG2-CZ 3.44Å; V29-Y240 VanDerWaalsContact CG2-OH 3.3Å; V29-Y240 WeakPolarHBondContact CG2-OH 3.5Å; Y118-Y240 WeakPolarHBondContact CA-OH 3.49Å; Y118-Y240 WeakPolarHBondContact CB-OH 3.35Å; Y118-Y240 AromaticContact CD2-CE1 3.98Å; Y118-Y240 HydrophobicContact CD2-CE1 3.98Å; F121-Y240 HydrophobicContact CB-CD1 3.46Å; F121-Y240 VanDerWaalsContact CB-CD1 3.46Å; F121-Y240 HydrophobicContact CB-CE1 4.01Å; F121-Y240 HydrophobicContact CB-CG 3.87Å; F121-Y240 AromaticContact CD2-CD1 3.58Å; F121-Y240 HydrophobicContact CD2-CD1 3.58Å; F121-Y240 AromaticContact CD2-CD2 3.3Å; F121-Y240 HydrophobicContact CD2-CD2 3.3Å; F121-Y240 HydrophobicContact CD2-CE1 4.02Å; F121-Y240 AromaticContact CD2-CE2 3.77Å; F121-Y240 HydrophobicContact CD2-CE2 3.77Å; F121-Y240 AromaticContact CD2-CG 3.18Å; F121-Y240 HydrophobicContact CD2-CG 3.18Å; F121-Y240 AromaticContact CE2-CD2 3.55Å; F121-Y240 HydrophobicContact CE2-CD2 3.55Å; F121-Y240 HydrophobicContact CE2-CE2 4.15Å; F121-Y240 AromaticContact CE2-CG 3.79Å; F121-Y240 HydrophobicContact CE2-CG 3.79Å; F121-Y240 AromaticContact CG-CD1 3.87Å; F121-Y240 HydrophobicContact CG-CD1 3.87Å; F121-Y240 HydrophobicContact CG-CD2 4.29Å; F121-Y240 AromaticContact CG-CG 3.73Å; F121-Y240 HydrophobicContact CG-CG 3.73Å; L183-Y240 HydrophobicContact CD1-CD1 3.96Å; L183-Y240 HydrophobicContact CD1-CE1 3.6Å; L236-Y240 WeakPolarHBondContact O-CB 3.44Å; L236-Y240 PolarHBondContact O-N 2.66Å; S237-Y240 PolarHBondContact O-N 2.89Å; Y240-G242 PolarHBondContact O-N 2.66Å |
| 241 | M | 93.1 | Very high | 96.2 | Very high | 8 Ų | 8 | 18.5 Ų | 18.5 | 4% | 0.039 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -7 | 179.2 | -64.7 | -57 | 170.8 | 0 | 0 | 114 | F121 C122 T125 L183 E184 S237 I239 M243 | F121-M241 VanDerWaalsContact C-CE 3.43Å; F121-M241 HydrophobicContact CB-CE 4.18Å; F121-M241 VanDerWaalsContact O-CE 3.32Å; F121-M241 WeakPolarHBondContact O-CE 3.45Å; C122-M241 HydrophobicContact CB-CE 4.34Å; T125-M241 WeakPolarHBondContact OG1-CG 3.46Å; L183-M241 HydrophobicContact CB-SD 3.71Å; L183-M241 HydrophobicContact CD1-SD 4.08Å; L183-M241 PolarHBondContact N-O 3.06Å; E184-M241 HydrophobicContact CB-CB 4.33Å; S237-M241 VanDerWaalsContact O-CG 3.31Å; S237-M241 WeakPolarHBondContact O-CG 3.28Å; S237-M241 PolarHBondContact O-N 3.19Å; I239-M241 PolarHBondContact O-N 2.61Å; M241-M243 VanDerWaalsContact C-N 3.3Å; M241-M243 HydrophobicContact CB-CG 3.94Å |
| 242 | G | 92.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 7.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | V180 I239 Y240 | V180-G242 WeakPolarHBondContact CG1-O 3.19Å; I239-G242 PolarHBondContact O-N 2.81Å; Y240-G242 PolarHBondContact O-N 2.66Å |
| 243 | M | 92.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -85.3 | -23.8 | -169.3 | -61 | -48.8 | -73.5 | 0 | 0 | 113.9 | R174 E184 S192 R238 M241 | R174-M243 WeakPolarHBondContact CD-O 3.26Å; R174-M243 PolarHBondContact NH1-O 2.9Å; E184-M243 HydrophobicContact CB-CG 4.03Å; E184-M243 HydrophobicContact CB-SD 4.06Å; S192-M243 PolarHBondContact OG-O 3.38Å; R238-M243 PolarHBondContact O-N 3.49Å; R238-M243 VanDerWaalsContact O-N 3.16Å; M241-M243 VanDerWaalsContact C-N 3.3Å; M241-M243 HydrophobicContact CB-CG 3.94Å |
| 244 | H | 95.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -141 | 146.1 | -174.3 | -72.5 | -79.6 | 0 | 0 | 0 | 112 | R174 S192 S195 R238 D248 V249 | R174-H244 PolarHBondContact NH1-CD2 3.43Å; R174-H244 PolarHBondContact NH1-CE1 2.93Å; R174-H244 PolarHBondContact NH1-NE2 2.87Å; S192-H244 PolarHBondContact O-CE1 3.36Å; S192-H244 PolarHBondContact O-ND1 3.45Å; S192-H244 PolarHBondContact OG-ND1 2.8Å; S195-H244 VanDerWaalsContact CA-CE1 3.42Å; S195-H244 WeakPolarHBondContact CA-CE1 3.26Å; S195-H244 VanDerWaalsContact CB-CE1 3.44Å; S195-H244 WeakPolarHBondContact CB-CE1 3.45Å; S195-H244 WeakPolarHBondContact CB-ND1 3.37Å; S195-H244 PolarHBondContact OG-CD2 3.1Å; S195-H244 PolarHBondContact OG-CE1 2.88Å; S195-H244 VanDerWaalsContact OG-CE1 3.3Å; S195-H244 PolarHBondContact OG-NE2 2.97Å; R238-H244 HydrophobicContact CB-CB 4.18Å; R238-H244 PolarHBondContact O-N 3.5Å; H244-D248 HydrophobicContact CB-CB 4.14Å; H244-D248 IonicContact ND1-OD2 2.67Å; H244-V249 HydrophobicContact CB-CG2 3.95Å | ||
| 245 | S | 96 | Very high | 96.3 | Very high | 3 Ų | 3 | 25.6 Ų | 25.6 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | trans | -73.9 | 166.5 | 167.8 | 86.1 | 0 | 0 | 0 | 0 | 111 | L247 D248 V249 | S245-L247 PolarHBondContact O-N 3.35Å; S245-L247 WeakPolarHBondContact OG-CB 3.39Å; S245-L247 PolarHBondContact OG-N 2.67Å; S245-D248 PolarHBondContact N-OD2 2.88Å; S245-D248 PolarHBondContact O-N 3.49Å; S245-D248 PolarHBondContact OG-N 3.05Å; S245-D248 PolarHBondContact OG-OD1 3.43Å; S245-D248 PolarHBondContact OG-OD2 3.35Å; S245-V249 PolarHBondContact O-N 3.41Å | ||
| 246 | I | 96.4 | Very high | 96.3 | Very high | 49 Ų | 49 | 24.8 Ų | 24.8 | 25% | 0.251 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -65.3 | -33.2 | 176 | -47.2 | -176.5 | 0 | 0 | 0 | 109.8 | L14 R19 I239 I250 | L14-I246 HydrophobicContact CB-CB 4.42Å; L14-I246 HydrophobicContact CD2-CB 4.09Å; L14-I246 HydrophobicContact CD2-CG2 3.87Å; L14-I246 PolarHBondContact O-N 3.01Å; L14-I246 VanDerWaalsContact O-N 3.15Å; R19-I246 HydrophobicContact CB-CD1 3.88Å; R19-I246 HydrophobicContact CB-CG1 4.5Å; I239-I246 HydrophobicContact CD1-CG1 4.27Å; I246-I250 HydrophobicContact CG2-CD1 3.91Å; I246-I250 WeakPolarHBondContact O-CG1 3.36Å; I246-I250 PolarHBondContact O-N 2.85Å; I246-I250 VanDerWaalsContact O-N 3.07Å |
| 247 | L | 96.7 | Very high | 96.4 | Very high | 29 Ų | 29 | 24.1 Ų | 24.1 | 15% | 0.152 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.5 | -45 | 175.4 | -175.5 | 63.2 | 0 | 0 | 0 | 112.1 | A11 L14 Q15 M193 S245 V249 I250 A251 | A11-L247 HydrophobicContact CB-CD1 4.22Å; A11-L247 HydrophobicContact CB-CD2 4.03Å; L14-L247 HydrophobicContact CB-CB 3.89Å; L14-L247 PolarHBondContact O-N 3.31Å; Q15-L247 HydrophobicContact CB-CD2 4.34Å; M193-L247 HydrophobicContact SD-CD2 4.43Å; M193-L247 HydrophobicContact SD-CG 4.24Å; S245-L247 PolarHBondContact O-N 3.35Å; S245-L247 WeakPolarHBondContact OG-CB 3.39Å; S245-L247 PolarHBondContact OG-N 2.67Å; L247-V249 VanDerWaalsContact C-N 3.26Å; L247-V249 PolarHBondContact O-N 3.23Å; L247-I250 PolarHBondContact O-N 3.11Å; L247-A251 VanDerWaalsContact O-CB 3.27Å; L247-A251 WeakPolarHBondContact O-CB 3.42Å; L247-A251 PolarHBondContact O-N 3.48Å |
| 248 | D | 97.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.1 | -34.2 | -176.3 | -46.5 | -18.8 | 0 | 0 | 0 | 112.1 | S192 M193 S195 H244 S245 G252 | S192-D248 WeakPolarHBondContact CB-OD2 3.42Å; S192-D248 PolarHBondContact OG-OD2 3.27Å; M193-D248 HydrophobicContact CB-CB 4.32Å; S195-D248 PolarHBondContact N-O 2.86Å; S195-D248 VanDerWaalsContact N-O 3.07Å; H244-D248 HydrophobicContact CB-CB 4.14Å; H244-D248 IonicContact ND1-OD2 2.67Å; S245-D248 PolarHBondContact N-OD2 2.88Å; S245-D248 PolarHBondContact O-N 3.49Å; S245-D248 PolarHBondContact OG-N 3.05Å; S245-D248 PolarHBondContact OG-OD1 3.43Å; S245-D248 PolarHBondContact OG-OD2 3.35Å; D248-G252 PolarHBondContact O-N 3.13Å |
| 249 | V | 97.3 | Very high | 96.5 | Very high | 10 Ų | 10 | 28.8 Ų | 28.8 | 6% | 0.061 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -74.4 | -44.6 | 177.6 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | A198 C235 R238 I239 H244 S245 L247 A251 G252 F253 | A198-V249 HydrophobicContact CB-CG1 4.09Å; C235-V249 HydrophobicContact CB-CG1 3.47Å; C235-V249 VanDerWaalsContact CB-CG1 3.47Å; R238-V249 HydrophobicContact CB-CG2 4.28Å; I239-V249 HydrophobicContact CD1-CG2 4.47Å; I239-V249 HydrophobicContact CG1-CG2 4.05Å; H244-V249 HydrophobicContact CB-CG2 3.95Å; S245-V249 PolarHBondContact O-N 3.41Å; L247-V249 VanDerWaalsContact C-N 3.26Å; L247-V249 PolarHBondContact O-N 3.23Å; V249-A251 VanDerWaalsContact C-N 3.35Å; V249-G252 PolarHBondContact O-N 3.41Å; V249-F253 PolarHBondContact O-N 3.44Å |
| 250 | I | 97.1 | Very high | 96.6 | Very high | 69 Ų | 69 | 28.8 Ų | 28.8 | 35% | 0.354 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -62.9 | -42.3 | 173.9 | -70.5 | 167.2 | 0 | 0 | 0 | 110.8 | L14 I246 L247 F253 L254 | L14-I250 HydrophobicContact CD1-CD1 4Å; L14-I250 HydrophobicContact CD2-CD1 4.34Å; I246-I250 HydrophobicContact CG2-CD1 3.91Å; I246-I250 WeakPolarHBondContact O-CG1 3.36Å; I246-I250 PolarHBondContact O-N 2.85Å; I246-I250 VanDerWaalsContact O-N 3.07Å; L247-I250 PolarHBondContact O-N 3.11Å; I250-F253 PolarHBondContact O-N 3.06Å; I250-L254 HydrophobicContact CG2-CD1 3.84Å; I250-L254 HydrophobicContact CG2-CG 4.4Å; I250-L254 WeakPolarHBondContact O-CB 3.46Å; I250-L254 WeakPolarHBondContact O-CG 3.35Å; I250-L254 PolarHBondContact O-N 2.98Å |
| 251 | A | 97.4 | Very high | 96.8 | Very high | 27 Ų | 27 | 34.5 Ų | 34.5 | 22% | 0.223 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.4 | -45.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | M193 L247 V249 Y255 | M193-A251 HydrophobicContact CG-CB 3.83Å; M193-A251 HydrophobicContact SD-CB 3.79Å; L247-A251 VanDerWaalsContact O-CB 3.27Å; L247-A251 WeakPolarHBondContact O-CB 3.42Å; L247-A251 PolarHBondContact O-N 3.48Å; V249-A251 VanDerWaalsContact C-N 3.35Å; A251-Y255 WeakPolarHBondContact O-CB 3.5Å; A251-Y255 PolarHBondContact O-N 3.3Å |
| 252 | G | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.6 | -47.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | M199 D248 V249 Y255 T256 | M199-G252 VanDerWaalsContact CG-O 3.31Å; M199-G252 WeakPolarHBondContact CG-O 3.41Å; D248-G252 PolarHBondContact O-N 3.13Å; V249-G252 PolarHBondContact O-N 3.41Å; G252-Y255 PolarHBondContact O-N 3.42Å; G252-T256 PolarHBondContact O-N 2.85Å |
| 253 | F | 97.7 | Very high | 97.2 | Very high | 80 Ų | 80 | 41.5 Ų | 41.5 | 35% | 0.351 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.2 | -54.6 | 176.2 | 178 | -89 | 0 | 0 | 0 | 111.6 | T202 V249 I250 Y255 T256 I257 | T202-F253 HydrophobicContact CG2-CD2 3.54Å; T202-F253 HydrophobicContact CG2-CE2 3.65Å; T202-F253 HydrophobicContact CG2-CG 4.35Å; T202-F253 WeakPolarHBondContact OG1-CD2 3.4Å; V249-F253 PolarHBondContact O-N 3.44Å; I250-F253 PolarHBondContact O-N 3.06Å; F253-Y255 VanDerWaalsContact C-N 3.34Å; F253-Y255 PolarHBondContact O-N 3.46Å; F253-T256 PolarHBondContact O-N 3.31Å; F253-I257 HydrophobicContact CD1-CG1 4.49Å; F253-I257 HydrophobicContact CE1-CG1 4.13Å; F253-I257 HydrophobicContact CZ-CG1 4.39Å; F253-I257 WeakPolarHBondContact O-CG1 3.45Å; F253-I257 PolarHBondContact O-N 3.41Å; F253-I257 VanDerWaalsContact O-N 3.13Å |
| 254 | L | 97.7 | Very high | 97.4 | Very high | 105 Ų | 105 | 44.7 Ų | 44.7 | 55% | 0.55 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.7 | -36.9 | -178.1 | -67.7 | 174.3 | 0 | 0 | 0 | 112.4 | I250 I257 L258 | I250-L254 HydrophobicContact CG2-CD1 3.84Å; I250-L254 HydrophobicContact CG2-CG 4.4Å; I250-L254 WeakPolarHBondContact O-CB 3.46Å; I250-L254 WeakPolarHBondContact O-CG 3.35Å; I250-L254 PolarHBondContact O-N 2.98Å; L254-I257 PolarHBondContact O-N 3.08Å; L254-L258 PolarHBondContact O-N 3Å |
| 255 | Y | 98.2 | Very high | 97.5 | Very high | 58 Ų | 58 | 49 Ų | 49 | 23% | 0.227 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.1 | -38 | 178.1 | -172.7 | -142.6 | 0 | 0 | 0 | 111.9 | T166 P194 M199 A251 G252 F253 I257 L258 I259 | T166-Y255 HydrophobicContact CG2-CE1 4.13Å; T166-Y255 WeakPolarHBondContact OG1-CE1 3.33Å; T166-Y255 PolarHBondContact OG1-OH 2.91Å; T166-Y255 VanDerWaalsContact OG1-OH 3.09Å; P194-Y255 HydrophobicContact CB-CD1 4.45Å; P194-Y255 HydrophobicContact CG-CD1 4.08Å; P194-Y255 HydrophobicContact CG-CE1 4.47Å; M199-Y255 HydrophobicContact CE-CD1 3.41Å; M199-Y255 VanDerWaalsContact CE-CD1 3.41Å; M199-Y255 HydrophobicContact CE-CE1 3.79Å; M199-Y255 HydrophobicContact CE-CG 4.32Å; M199-Y255 HydrophobicContact SD-CD1 3.97Å; A251-Y255 WeakPolarHBondContact O-CB 3.5Å; A251-Y255 PolarHBondContact O-N 3.3Å; G252-Y255 PolarHBondContact O-N 3.42Å; F253-Y255 VanDerWaalsContact C-N 3.34Å; F253-Y255 PolarHBondContact O-N 3.46Å; Y255-I257 PolarHBondContact O-N 3.05Å; Y255-L258 HydrophobicContact CD2-CD2 4.38Å; Y255-L258 WeakPolarHBondContact O-CB 3.23Å; Y255-L258 PolarHBondContact O-N 3.36Å; Y255-I259 HydrophobicContact CD1-CD1 4Å; Y255-I259 HydrophobicContact CD2-CD1 4.19Å; Y255-I259 HydrophobicContact CD2-CG1 4.19Å; Y255-I259 HydrophobicContact CE1-CD1 3.83Å; Y255-I259 HydrophobicContact CE2-CD1 4.02Å; Y255-I259 HydrophobicContact CE2-CG1 3.99Å; Y255-I259 HydrophobicContact CG-CD1 4.16Å; Y255-I259 VanDerWaalsContact O-CG1 3.31Å; Y255-I259 WeakPolarHBondContact O-CG1 3.27Å; Y255-I259 PolarHBondContact O-N 3.45Å |
| 256 | T | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60 | -42.9 | 169.8 | -83.5 | 0 | 0 | 0 | 0 | 112.2 | M199 T202 A203 G252 F253 L258 I259 L260 | M199-T256 VanDerWaalsContact C-OG1 3.31Å; M199-T256 WeakPolarHBondContact CA-OG1 3.46Å; M199-T256 VanDerWaalsContact CB-OG1 3.28Å; M199-T256 WeakPolarHBondContact CB-OG1 3.33Å; M199-T256 PolarHBondContact O-OG1 2.91Å; T202-T256 HydrophobicContact CG2-CG2 3.71Å; A203-T256 HydrophobicContact CB-CG2 3.66Å; G252-T256 PolarHBondContact O-N 2.85Å; F253-T256 PolarHBondContact O-N 3.31Å; T256-L258 VanDerWaalsContact C-N 3.29Å; T256-L258 PolarHBondContact O-N 2.98Å; T256-I259 PolarHBondContact O-N 3.38Å; T256-L260 HydrophobicContact CG2-CD1 3.88Å; T256-L260 HydrophobicContact CG2-CG 4.26Å; T256-L260 WeakPolarHBondContact O-CB 3.47Å; T256-L260 WeakPolarHBondContact O-CG 3.34Å; T256-L260 PolarHBondContact O-N 3.47Å |
| 257 | I | 98.2 | Very high | 97.6 | Very high | 56 Ų | 56 | 50.1 Ų | 50.1 | 29% | 0.287 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.7 | -41.3 | 176.6 | -61.8 | -58.4 | 0 | 0 | 0 | 110.8 | T202 I206 F253 L254 Y255 L260 I261 | T202-I257 HydrophobicContact CG2-CD1 4.27Å; I206-I257 HydrophobicContact CD1-CD1 3.57Å; F253-I257 HydrophobicContact CD1-CG1 4.49Å; F253-I257 HydrophobicContact CE1-CG1 4.13Å; F253-I257 HydrophobicContact CZ-CG1 4.39Å; F253-I257 WeakPolarHBondContact O-CG1 3.45Å; F253-I257 PolarHBondContact O-N 3.41Å; F253-I257 VanDerWaalsContact O-N 3.13Å; L254-I257 PolarHBondContact O-N 3.08Å; Y255-I257 PolarHBondContact O-N 3.05Å; I257-L260 PolarHBondContact O-N 3.25Å; I257-I261 HydrophobicContact CG2-CD1 3.83Å; I257-I261 VanDerWaalsContact O-CG1 3.26Å; I257-I261 WeakPolarHBondContact O-CG1 3.33Å; I257-I261 PolarHBondContact O-N 3.2Å |
| 258 | L | 98.2 | Very high | 97.5 | Very high | 91 Ų | 91 | 52.8 Ų | 52.8 | 48% | 0.476 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 174.9 | -177.7 | 62.5 | 0 | 0 | 0 | 112.6 | L254 Y255 T256 L260 I261 I262 | L254-L258 PolarHBondContact O-N 3Å; Y255-L258 HydrophobicContact CD2-CD2 4.38Å; Y255-L258 WeakPolarHBondContact O-CB 3.23Å; Y255-L258 PolarHBondContact O-N 3.36Å; T256-L258 VanDerWaalsContact C-N 3.29Å; T256-L258 PolarHBondContact O-N 2.98Å; L258-L260 VanDerWaalsContact C-N 3.35Å; L258-L260 PolarHBondContact O-N 2.84Å; L258-I261 PolarHBondContact O-N 2.9Å; L258-I262 HydrophobicContact CD1-CD1 3.87Å; L258-I262 HydrophobicContact CD1-CG1 4.41Å; L258-I262 HydrophobicContact CG-CD1 3.97Å; L258-I262 WeakPolarHBondContact O-CG1 3.26Å; L258-I262 PolarHBondContact O-N 2.9Å; L258-I262 VanDerWaalsContact O-N 3.11Å |
| 259 | I | 98.3 | Very high | 97.5 | Very high | 6 Ų | 6 | 58.4 Ų | 58.4 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 176.7 | -67.7 | 165.9 | 0 | 0 | 0 | 110.4 | V159 L162 M199 Y255 T256 I262 F263 | V159-I259 HydrophobicContact CG2-CB 4.42Å; V159-I259 HydrophobicContact CG2-CG2 3.71Å; L162-I259 HydrophobicContact CB-CD1 4Å; L162-I259 HydrophobicContact CD1-CD1 4.03Å; L162-I259 HydrophobicContact CD1-CG1 3.99Å; L162-I259 HydrophobicContact CD1-CG2 4.17Å; M199-I259 HydrophobicContact CE-CD1 3.65Å; Y255-I259 HydrophobicContact CD1-CD1 4Å; Y255-I259 HydrophobicContact CD2-CD1 4.19Å; Y255-I259 HydrophobicContact CD2-CG1 4.19Å; Y255-I259 HydrophobicContact CE1-CD1 3.83Å; Y255-I259 HydrophobicContact CE2-CD1 4.02Å; Y255-I259 HydrophobicContact CE2-CG1 3.99Å; Y255-I259 HydrophobicContact CG-CD1 4.16Å; Y255-I259 VanDerWaalsContact O-CG1 3.31Å; Y255-I259 WeakPolarHBondContact O-CG1 3.27Å; Y255-I259 PolarHBondContact O-N 3.45Å; T256-I259 PolarHBondContact O-N 3.38Å; I259-I262 PolarHBondContact O-N 3.38Å; I259-F263 HydrophobicContact CG2-CD2 3.96Å; I259-F263 WeakPolarHBondContact O-CB 3.28Å; I259-F263 WeakPolarHBondContact O-CD2 3.14Å; I259-F263 PolarHBondContact O-N 3.28Å |
| 260 | L | 98.4 | Very high | 97.5 | Very high | 12 Ų | 12 | 60.4 Ų | 60.4 | 6% | 0.063 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 177 | -72.4 | 173.8 | 0 | 0 | 0 | 111.7 | I155 I206 T256 I257 L258 I262 Y264 | I155-L260 HydrophobicContact CG2-CD2 3.7Å; I206-L260 HydrophobicContact CB-CD1 4.06Å; I206-L260 HydrophobicContact CD1-CD1 4.4Å; I206-L260 HydrophobicContact CG2-CD1 3.75Å; T256-L260 HydrophobicContact CG2-CD1 3.88Å; T256-L260 HydrophobicContact CG2-CG 4.26Å; T256-L260 WeakPolarHBondContact O-CB 3.47Å; T256-L260 WeakPolarHBondContact O-CG 3.34Å; T256-L260 PolarHBondContact O-N 3.47Å; I257-L260 PolarHBondContact O-N 3.25Å; L258-L260 VanDerWaalsContact C-N 3.35Å; L258-L260 PolarHBondContact O-N 2.84Å; L260-I262 VanDerWaalsContact C-N 3.27Å; L260-I262 PolarHBondContact O-N 3.02Å; L260-Y264 WeakPolarHBondContact O-CB 3.13Å; L260-Y264 PolarHBondContact O-N 2.87Å |
| 261 | I | 98 | Very high | 97.5 | Very high | 119 Ų | 119 | 57.3 Ų | 57.3 | 61% | 0.61 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -58 | -39.8 | 177.7 | -72.1 | 165.5 | 0 | 0 | 0 | 111.7 | I257 L258 | I257-I261 HydrophobicContact CG2-CD1 3.83Å; I257-I261 VanDerWaalsContact O-CG1 3.26Å; I257-I261 WeakPolarHBondContact O-CG1 3.33Å; I257-I261 PolarHBondContact O-N 3.2Å; L258-I261 PolarHBondContact O-N 2.9Å |
| 262 | I | 97.6 | Very high | 97.4 | Very high | 93 Ų | 93 | 60.3 Ų | 60.3 | 48% | 0.477 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -79.5 | -47.1 | -177.8 | -65.1 | 168.7 | 0 | 0 | 0 | 112 | L258 I259 L260 | L258-I262 HydrophobicContact CD1-CD1 3.87Å; L258-I262 HydrophobicContact CD1-CG1 4.41Å; L258-I262 HydrophobicContact CG-CD1 3.97Å; L258-I262 WeakPolarHBondContact O-CG1 3.26Å; L258-I262 PolarHBondContact O-N 2.9Å; L258-I262 VanDerWaalsContact O-N 3.11Å; I259-I262 PolarHBondContact O-N 3.38Å; L260-I262 VanDerWaalsContact C-N 3.27Å; L260-I262 PolarHBondContact O-N 3.02Å |
| 263 | F | 97.1 | Very high | 97.3 | Very high | 62 Ų | 62 | 63.6 Ų | 63.6 | 27% | 0.272 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -100.4 | -22.3 | -167.1 | -70.5 | -84.9 | 0 | 0 | 0 | 114.7 | L158 L162 I259 P265 L266 V267 | L158-F263 HydrophobicContact CD1-CB 4.07Å; L158-F263 HydrophobicContact CD1-CD1 4.14Å; L158-F263 HydrophobicContact CD1-CG 4.28Å; L158-F263 HydrophobicContact CD2-CD1 4.42Å; L162-F263 HydrophobicContact CD1-CD2 4.46Å; L162-F263 HydrophobicContact CD1-CE2 3.89Å; L162-F263 HydrophobicContact CD1-CZ 4.37Å; I259-F263 HydrophobicContact CG2-CD2 3.96Å; I259-F263 WeakPolarHBondContact O-CB 3.28Å; I259-F263 WeakPolarHBondContact O-CD2 3.14Å; I259-F263 PolarHBondContact O-N 3.28Å; F263-P265 VanDerWaalsContact C-CD 3.49Å; F263-L266 HydrophobicContact CD1-CD1 4.13Å; F263-L266 WeakPolarHBondContact O-CB 3.34Å; F263-L266 PolarHBondContact O-N 3.49Å; F263-V267 PolarHBondContact O-N 3Å |
| 264 | Y | 97.4 | Very high | 97.3 | Very high | 68 Ų | 68 | 60.5 Ų | 60.5 | 27% | 0.267 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -54.8 | -43.3 | 177.7 | -179.9 | -97.8 | 0 | 0 | 0 | 113.1 | I155 L210 L211 L260 L266 V267 | I155-Y264 HydrophobicContact CD1-CD2 4.08Å; L210-Y264 HydrophobicContact CB-CD2 4.49Å; L210-Y264 HydrophobicContact CB-CE2 3.7Å; L210-Y264 HydrophobicContact CD1-CD2 4.06Å; L210-Y264 HydrophobicContact CD1-CE2 4.08Å; L210-Y264 HydrophobicContact CD1-CG 4.32Å; L210-Y264 PolarHBondContact O-OH 3.36Å; L210-Y264 VanDerWaalsContact O-OH 3.1Å; L211-Y264 HydrophobicContact CD2-CE2 3.81Å; L211-Y264 HydrophobicContact CG-CE2 4.09Å; L260-Y264 WeakPolarHBondContact O-CB 3.13Å; L260-Y264 PolarHBondContact O-N 2.87Å; Y264-L266 PolarHBondContact O-N 3.07Å; Y264-L266 VanDerWaalsContact O-N 3.08Å; Y264-V267 WeakPolarHBondContact O-CB 3.37Å; Y264-V267 PolarHBondContact O-N 2.87Å; Y264-V267 VanDerWaalsContact O-N 3.1Å |
| 265 | P | 97.2 | Very high | 97.1 | Very high | 92 Ų | 92 | 56 Ų | 56 | 60% | 0.597 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -62.5 | -16.1 | 176.1 | -22.9 | 35.4 | 0 | 0 | 0 | 114.8 | F263 | F263-P265 VanDerWaalsContact C-CD 3.49Š|
| 266 | L | 97 | Very high | 96.9 | Very high | 73 Ų | 73 | 55.8 Ų | 55.8 | 38% | 0.382 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -93.8 | -11.4 | 179.2 | -54.3 | 179.2 | 0 | 0 | 0 | 112.8 | F263 Y264 D268 L269 I270 | F263-L266 HydrophobicContact CD1-CD1 4.13Å; F263-L266 WeakPolarHBondContact O-CB 3.34Å; F263-L266 PolarHBondContact O-N 3.49Å; Y264-L266 PolarHBondContact O-N 3.07Å; Y264-L266 VanDerWaalsContact O-N 3.08Å; L266-D268 PolarHBondContact O-N 2.99Å; L266-L269 WeakPolarHBondContact O-CB 3.27Å; L266-L269 PolarHBondContact O-N 3.49Å; L266-L269 VanDerWaalsContact O-N 3.16Å; L266-I270 HydrophobicContact CB-CD1 4.07Å; L266-I270 VanDerWaalsContact O-CG1 3.27Å; L266-I270 WeakPolarHBondContact O-CG1 3.44Å; L266-I270 PolarHBondContact O-N 2.98Å |
| 267 | V | 97.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.4 | -39.7 | -172.6 | 168.9 | 0 | 0 | 0 | 0 | 112.4 | R151 I154 I155 F263 Y264 I270 D271 | R151-V267 HydrophobicContact CB-CG1 3.59Å; R151-V267 HydrophobicContact CG-CG1 3.53Å; I154-V267 HydrophobicContact CG2-CG2 4.4Å; I155-V267 HydrophobicContact CD1-CG1 4.46Å; I155-V267 HydrophobicContact CD1-CG2 3.98Å; I155-V267 HydrophobicContact CG1-CG2 3.6Å; F263-V267 PolarHBondContact O-N 3Å; Y264-V267 WeakPolarHBondContact O-CB 3.37Å; Y264-V267 PolarHBondContact O-N 2.87Å; Y264-V267 VanDerWaalsContact O-N 3.1Å; V267-I270 PolarHBondContact O-N 2.94Å; V267-D271 WeakPolarHBondContact O-CB 3.46Å; V267-D271 PolarHBondContact O-N 3.23Å |
| 268 | D | 94.6 | Very high | 96.6 | Very high | 84 Ų | 84 | 65.6 Ų | 65.6 | 45% | 0.449 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68.2 | -37.7 | 175.6 | -81.3 | -47.9 | 0 | 0 | 0 | 112.9 | R151 L266 N272 | R151-D268 IonicContact CZ-OD1 2.75Å; R151-D268 IonicContact NE-OD1 2.83Å; R151-D268 PolarHBondContact NE-OD1 3.36Å; R151-D268 IonicContact NH2-OD1 3.66Å; R151-D268 PolarHBondContact NH2-OD1 2.87Å; L266-D268 PolarHBondContact O-N 2.99Å; D268-N272 WeakPolarHBondContact O-CB 3.27Å; D268-N272 PolarHBondContact O-N 3.01Å |
| 269 | L | 96.8 | Very high | 96.5 | Very high | 120 Ų | 120 | 66.9 Ų | 66.9 | 63% | 0.628 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65 | -42.3 | 175.2 | 179.5 | 63.1 | 0 | 0 | 0 | 111 | L266 F273 | L266-L269 WeakPolarHBondContact O-CB 3.27Å; L266-L269 PolarHBondContact O-N 3.49Å; L266-L269 VanDerWaalsContact O-N 3.16Å; L269-F273 VanDerWaalsContact O-CB 3.23Å; L269-F273 WeakPolarHBondContact O-CB 3.39Å; L269-F273 PolarHBondContact O-N 2.71Å |
| 270 | I | 97.3 | Very high | 96.4 | Very high | 51 Ų | 51 | 66.6 Ų | 66.6 | 26% | 0.262 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.2 | -46.8 | 178.5 | -65.3 | 162.8 | 0 | 0 | 0 | 110.8 | I154 L266 V267 F273 N274 | I154-I270 HydrophobicContact CD1-CB 4.47Å; I154-I270 HydrophobicContact CD1-CG2 3.92Å; I154-I270 HydrophobicContact CG1-CG2 4.21Å; I154-I270 HydrophobicContact CG2-CB 4.38Å; I154-I270 HydrophobicContact CG2-CD1 4.27Å; I154-I270 HydrophobicContact CG2-CG2 3.93Å; L266-I270 HydrophobicContact CB-CD1 4.07Å; L266-I270 VanDerWaalsContact O-CG1 3.27Å; L266-I270 WeakPolarHBondContact O-CG1 3.44Å; L266-I270 PolarHBondContact O-N 2.98Å; V267-I270 PolarHBondContact O-N 2.94Å; I270-F273 PolarHBondContact O-N 3.19Å; I270-N274 VanDerWaalsContact O-CB 3.27Å; I270-N274 WeakPolarHBondContact O-CB 3.26Å; I270-N274 PolarHBondContact O-N 3.37Å; I270-N274 PolarHBondContact O-ND2 2.95Å; I270-N274 PolarHBondContact O-OD1 2.94Å |
| 271 | D | 96.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 67.6 Ų | 67.6 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 177.2 | -176.9 | 79.9 | 0 | 0 | 0 | 112.2 | R150 R151 I154 V267 N274 Q275 | R150-D271 WeakPolarHBondContact CB-OD1 3.29Å; R150-D271 IonicContact CZ-OD1 3.57Å; R150-D271 IonicContact CZ-OD2 3.66Å; R150-D271 IonicContact NE-OD1 3.07Å; R150-D271 PolarHBondContact NE-OD1 2.9Å; R150-D271 IonicContact NE-OD2 3.29Å; R150-D271 IonicContact NH2-OD1 3.56Å; R150-D271 PolarHBondContact NH2-OD1 3.29Å; R150-D271 IonicContact NH2-OD2 3.44Å; R150-D271 PolarHBondContact NH2-OD2 3.38Å; R151-D271 HydrophobicContact CG-CB 4.33Å; R151-D271 IonicContact CZ-OD2 2.82Å; R151-D271 VanDerWaalsContact CZ-OD2 3.27Å; R151-D271 IonicContact NH1-OD1 2.73Å; R151-D271 IonicContact NH1-OD2 2.77Å; R151-D271 PolarHBondContact NH1-OD2 2.99Å; R151-D271 IonicContact NH2-OD2 3.45Å; R151-D271 PolarHBondContact NH2-OD2 3.42Å; R151-D271 VanDerWaalsContact NH2-OD2 3.07Å; I154-D271 HydrophobicContact CD1-CB 3.89Å; V267-D271 WeakPolarHBondContact O-CB 3.46Å; V267-D271 PolarHBondContact O-N 3.23Å; D271-N274 PolarHBondContact O-N 2.84Å; D271-Q275 WeakPolarHBondContact O-CB 3.18Å; D271-Q275 WeakPolarHBondContact O-CG 3.35Å; D271-Q275 PolarHBondContact O-N 2.81Å; D271-Q275 PolarHBondContact OD2-NE2 3.38Å |
| 272 | N | 95.1 | Very high | 96.3 | Very high | 90 Ų | 90 | 68 Ų | 68 | 48% | 0.481 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 177.6 | -178 | -92.3 | 0 | 0 | 0 | 111.8 | D268 Q275 T276 | D268-N272 WeakPolarHBondContact O-CB 3.27Å; D268-N272 PolarHBondContact O-N 3.01Å; N272-Q275 PolarHBondContact O-N 3.41Å; N272-T276 WeakPolarHBondContact O-CB 3.4Å; N272-T276 WeakPolarHBondContact O-CG2 3.49Å; N272-T276 PolarHBondContact O-N 2.86Å; N272-T276 PolarHBondContact O-OG1 3.38Å |
| 273 | F | 97 | Very high | 96.3 | Very high | 69 Ų | 69 | 67.2 Ų | 67.2 | 30% | 0.303 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60 | -49.7 | 174.1 | 174.5 | -94.5 | 0 | 0 | 0 | 111.5 | L269 I270 Q275 T276 Y277 A280 I283 | L269-F273 VanDerWaalsContact O-CB 3.23Å; L269-F273 WeakPolarHBondContact O-CB 3.39Å; L269-F273 PolarHBondContact O-N 2.71Å; I270-F273 PolarHBondContact O-N 3.19Å; F273-Q275 VanDerWaalsContact C-N 3.33Å; F273-Q275 PolarHBondContact O-N 2.97Å; F273-T276 PolarHBondContact O-N 3.37Å; F273-Y277 HydrophobicContact CD2-CD1 4.26Å; F273-Y277 HydrophobicContact CD2-CG 4.11Å; F273-Y277 AromaticContact CE2-CD1 3.41Å; F273-Y277 HydrophobicContact CE2-CD1 3.41Å; F273-Y277 VanDerWaalsContact CE2-CD1 3.41Å; F273-Y277 HydrophobicContact CE2-CE1 4.1Å; F273-Y277 AromaticContact CE2-CG 3.68Å; F273-Y277 HydrophobicContact CE2-CG 3.68Å; F273-Y277 AromaticContact CZ-CD1 3.67Å; F273-Y277 HydrophobicContact CZ-CD1 3.67Å; F273-Y277 HydrophobicContact CZ-CE1 4.32Å; F273-Y277 HydrophobicContact CZ-CG 4.33Å; F273-Y277 WeakPolarHBondContact O-CB 3.45Å; F273-Y277 PolarHBondContact O-N 3.21Å; F273-A280 HydrophobicContact CD1-CB 4.44Å; F273-A280 HydrophobicContact CE1-CB 4.12Å; F273-I283 HydrophobicContact CE1-CB 4.45Å; F273-I283 HydrophobicContact CE1-CG2 4.1Å; F273-I283 HydrophobicContact CZ-CB 4.28Å; F273-I283 HydrophobicContact CZ-CD1 3.88Å; F273-I283 HydrophobicContact CZ-CG2 4.01Å |
| 274 | N | 96.5 | Very high | 96.3 | Very high | 16 Ų | 16 | 64.4 Ų | 64.4 | 9% | 0.086 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.4 | -43.7 | -179.5 | -72.7 | -16.7 | 0 | 0 | 0 | 111.8 | I270 D271 I284 A319 H323 | I270-N274 VanDerWaalsContact O-CB 3.27Å; I270-N274 WeakPolarHBondContact O-CB 3.26Å; I270-N274 PolarHBondContact O-N 3.37Å; I270-N274 PolarHBondContact O-ND2 2.95Å; I270-N274 PolarHBondContact O-OD1 2.94Å; D271-N274 PolarHBondContact O-N 2.84Å; N274-I284 HydrophobicContact CB-CD1 4.13Å; N274-I284 WeakPolarHBondContact OD1-CD1 3.5Å; N274-I284 WeakPolarHBondContact OD1-CG1 3.38Å; N274-A319 HydrophobicContact CB-CB 4.3Å; N274-H323 WeakPolarHBondContact O-CB 3.19Å; N274-H323 PolarHBondContact O-ND1 2.85Å |
| 275 | Q | 94.5 | Very high | 96.3 | Very high | 9 Ų | 9 | 64.7 Ų | 64.7 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -71.8 | -49.7 | 178.1 | -70.4 | -165.3 | 100.2 | 0 | 0 | 112.8 | D271 N272 F273 H323 Y326 D333 | D271-Q275 WeakPolarHBondContact O-CB 3.18Å; D271-Q275 WeakPolarHBondContact O-CG 3.35Å; D271-Q275 PolarHBondContact O-N 2.81Å; D271-Q275 PolarHBondContact OD2-NE2 3.38Å; N272-Q275 PolarHBondContact O-N 3.41Å; F273-Q275 VanDerWaalsContact C-N 3.33Å; F273-Q275 PolarHBondContact O-N 2.97Å; Q275-H323 PolarHBondContact O-ND1 3.06Å; Q275-Y326 HydrophobicContact CB-CD2 4.24Å; Q275-Y326 HydrophobicContact CB-CG 4.1Å; Q275-Y326 WeakPolarHBondContact O-CD1 3.28Å; Q275-D333 PolarHBondContact NE2-OD2 3.25Å |
| 276 | T | 94.2 | Very high | 96.2 | Very high | 55 Ų | 55 | 61.6 Ų | 61.6 | 34% | 0.337 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -97.5 | -26.3 | -161.2 | 66.3 | 0 | 0 | 0 | 0 | 115.2 | N272 F273 K278 Y326 | N272-T276 WeakPolarHBondContact O-CB 3.4Å; N272-T276 WeakPolarHBondContact O-CG2 3.49Å; N272-T276 PolarHBondContact O-N 2.86Å; N272-T276 PolarHBondContact O-OG1 3.38Å; F273-T276 PolarHBondContact O-N 3.37Å; T276-K278 PolarHBondContact O-N 3.09Å; T276-Y326 HydrophobicContact CG2-CE1 4.02Å; T276-Y326 HydrophobicContact CG2-CE2 4.44Å |
| 277 | Y | 96 | Very high | 96.2 | Very high | 108 Ų | 108 | 62.3 Ų | 62.3 | 42% | 0.424 | 31% | 0.314 | S | S | . | . | trans | -80.9 | 121.9 | -171.3 | -177.1 | -110.1 | 0 | 0 | 0 | 111.7 | F273 Y279 A280 I283 H323 | F273-Y277 HydrophobicContact CD2-CD1 4.26Å; F273-Y277 HydrophobicContact CD2-CG 4.11Å; F273-Y277 AromaticContact CE2-CD1 3.41Å; F273-Y277 HydrophobicContact CE2-CD1 3.41Å; F273-Y277 VanDerWaalsContact CE2-CD1 3.41Å; F273-Y277 HydrophobicContact CE2-CE1 4.1Å; F273-Y277 AromaticContact CE2-CG 3.68Å; F273-Y277 HydrophobicContact CE2-CG 3.68Å; F273-Y277 AromaticContact CZ-CD1 3.67Å; F273-Y277 HydrophobicContact CZ-CD1 3.67Å; F273-Y277 HydrophobicContact CZ-CE1 4.32Å; F273-Y277 HydrophobicContact CZ-CG 4.33Å; F273-Y277 WeakPolarHBondContact O-CB 3.45Å; F273-Y277 PolarHBondContact O-N 3.21Å; Y277-Y279 HydrophobicContact CE1-CD2 4.33Å; Y277-Y279 PolarHBondContact O-N 2.93Å; Y277-A280 HydrophobicContact CD1-CB 4.49Å; Y277-A280 WeakPolarHBondContact O-CB 3.43Å; Y277-A280 PolarHBondContact O-N 3.2Å; Y277-I283 HydrophobicContact CD1-CD1 4.26Å; Y277-I283 HydrophobicContact CE1-CD1 3.75Å; Y277-H323 PolarHBondContact O-CE1 3.44Å | ||
| 278 | K | 94.8 | Very high | 96.2 | Very high | 153 Ų | 153 | 63.4 Ų | 63.4 | 67% | 0.665 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | -31.3 | -172.7 | -177 | -179.9 | 177.5 | -171.4 | 0 | 115.8 | T276 | T276-K278 PolarHBondContact O-N 3.09Š|
| 279 | Y | 95.8 | Very high | 96.2 | Very high | 118 Ų | 118 | 63 Ų | 63 | 46% | 0.463 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | 12.6 | -179.6 | -57.4 | -78.6 | 0 | 0 | 0 | 113.2 | Y277 L282 I283 | Y277-Y279 HydrophobicContact CE1-CD2 4.33Å; Y277-Y279 PolarHBondContact O-N 2.93Å; Y279-L282 HydrophobicContact CD1-CD1 4.38Å; Y279-L282 PolarHBondContact O-N 2.86Å; Y279-I283 PolarHBondContact O-N 3.11Å |
| 280 | A | 96.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -53.2 | -45.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | F273 Y277 L282 I283 I284 | F273-A280 HydrophobicContact CD1-CB 4.44Å; F273-A280 HydrophobicContact CE1-CB 4.12Å; Y277-A280 HydrophobicContact CD1-CB 4.49Å; Y277-A280 WeakPolarHBondContact O-CB 3.43Å; Y277-A280 PolarHBondContact O-N 3.2Å; A280-L282 VanDerWaalsContact C-N 3.3Å; A280-L282 PolarHBondContact O-N 3.31Å; A280-I283 CarbonylContact O-C 3.57Å; A280-I283 PolarHBondContact O-N 3.22Å; A280-I284 HydrophobicContact CB-CD1 3.99Å; A280-I284 WeakPolarHBondContact O-CB 3.35Å; A280-I284 WeakPolarHBondContact O-CD1 3.2Å; A280-I284 WeakPolarHBondContact O-CG1 3.43Å; A280-I284 PolarHBondContact O-N 3.43Å |
| 281 | P | 96.8 | Very high | 96 | Very high | 33 Ų | 33 | 62.6 Ų | 62.6 | 21% | 0.214 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.4 | -38.8 | -179.3 | -27.9 | 36.6 | 0 | 0 | 0 | 114.2 | I285 H323 | P281-I285 WeakPolarHBondContact O-CB 3.31Å; P281-I285 WeakPolarHBondContact O-CD1 3.47Å; P281-I285 VanDerWaalsContact O-CG1 3.23Å; P281-I285 WeakPolarHBondContact O-CG1 3.35Å; P281-I285 PolarHBondContact O-N 2.98Å; P281-H323 HydrophobicContact CG-CB 4.24Å; P281-H323 WeakPolarHBondContact CG-CD2 3.3Å |
| 282 | L | 96.6 | Very high | 95.7 | Very high | 127 Ų | 127 | 62.6 Ų | 62.6 | 67% | 0.665 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -68.1 | -40.7 | 177.3 | -63.4 | 177.5 | 0 | 0 | 0 | 111.5 | Y279 A280 G286 | Y279-L282 HydrophobicContact CD1-CD1 4.38Å; Y279-L282 PolarHBondContact O-N 2.86Å; A280-L282 VanDerWaalsContact C-N 3.3Å; A280-L282 PolarHBondContact O-N 3.31Å; L282-G286 PolarHBondContact O-N 2.87Å |
| 283 | I | 97.3 | Very high | 95.5 | Very high | 77 Ų | 77 | 63.6 Ų | 63.6 | 40% | 0.395 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -72.2 | -40.9 | 179.6 | -65.8 | 169.3 | 0 | 0 | 0 | 110.9 | F273 Y277 Y279 A280 L287 | F273-I283 HydrophobicContact CE1-CB 4.45Å; F273-I283 HydrophobicContact CE1-CG2 4.1Å; F273-I283 HydrophobicContact CZ-CB 4.28Å; F273-I283 HydrophobicContact CZ-CD1 3.88Å; F273-I283 HydrophobicContact CZ-CG2 4.01Å; Y277-I283 HydrophobicContact CD1-CD1 4.26Å; Y277-I283 HydrophobicContact CE1-CD1 3.75Å; Y279-I283 PolarHBondContact O-N 3.11Å; A280-I283 CarbonylContact O-C 3.57Å; A280-I283 PolarHBondContact O-N 3.22Å; I283-L287 WeakPolarHBondContact O-CB 3.32Å; I283-L287 PolarHBondContact O-N 3.45Å |
| 284 | I | 97.2 | Very high | 95.1 | Very high | 4 Ų | 4 | 65.7 Ų | 65.7 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.8 | -54.6 | 174 | -70.7 | 160.4 | 0 | 0 | 0 | 109.7 | N274 A280 L287 H288 A316 A319 | N274-I284 HydrophobicContact CB-CD1 4.13Å; N274-I284 WeakPolarHBondContact OD1-CD1 3.5Å; N274-I284 WeakPolarHBondContact OD1-CG1 3.38Å; A280-I284 HydrophobicContact CB-CD1 3.99Å; A280-I284 WeakPolarHBondContact O-CB 3.35Å; A280-I284 WeakPolarHBondContact O-CD1 3.2Å; A280-I284 WeakPolarHBondContact O-CG1 3.43Å; A280-I284 PolarHBondContact O-N 3.43Å; I284-L287 PolarHBondContact O-N 2.85Å; I284-H288 WeakPolarHBondContact O-CB 3.42Å; I284-H288 PolarHBondContact O-N 3.05Å; I284-H288 PolarHBondContact O-ND1 3.33Å; I284-A316 HydrophobicContact CG2-CB 3.88Å; I284-A319 HydrophobicContact CD1-CB 3.8Å; I284-A319 HydrophobicContact CG1-CB 4.38Å; I284-A319 HydrophobicContact CG2-CB 4.06Å |
| 285 | I | 97.1 | Very high | 94.6 | Very high | 73 Ų | 73 | 64.9 Ų | 64.9 | 37% | 0.374 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.5 | -45 | -178.2 | -68.2 | 166.9 | 0 | 0 | 0 | 110.5 | P281 H288 L289 Y406 | P281-I285 WeakPolarHBondContact O-CB 3.31Å; P281-I285 WeakPolarHBondContact O-CD1 3.47Å; P281-I285 VanDerWaalsContact O-CG1 3.23Å; P281-I285 WeakPolarHBondContact O-CG1 3.35Å; P281-I285 PolarHBondContact O-N 2.98Å; I285-H288 PolarHBondContact O-N 3.36Å; I285-L289 HydrophobicContact CG2-CD1 3.82Å; I285-L289 HydrophobicContact CG2-CG 4.4Å; I285-L289 WeakPolarHBondContact O-CB 3.5Å; I285-L289 VanDerWaalsContact O-CG 3.26Å; I285-L289 WeakPolarHBondContact O-CG 3.42Å; I285-L289 PolarHBondContact O-N 3.07Å; I285-Y406 PolarHBondContact O-OH 3.44Å |
| 286 | G | 96.7 | Very high | 93.9 | Very high | 28 Ų | 28 | 66.4 Ų | 66.4 | 29% | 0.289 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.7 | -47.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | L282 L289 I290 | L282-G286 PolarHBondContact O-N 2.87Å; G286-L289 PolarHBondContact O-N 3.32Å; G286-I290 WeakPolarHBondContact O-CB 3.45Å; G286-I290 WeakPolarHBondContact O-CD1 3.28Å; G286-I290 VanDerWaalsContact O-CG1 3.23Å; G286-I290 WeakPolarHBondContact O-CG1 3.24Å; G286-I290 PolarHBondContact O-N 3.35Å |
| 287 | L | 96.7 | Very high | 93.3 | Very high | 88 Ų | 88 | 68.7 Ų | 68.7 | 46% | 0.461 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61 | -50.3 | 177.7 | 177.5 | 61.8 | 0 | 0 | 0 | 111.7 | I283 I284 L289 I290 L291 | I283-L287 WeakPolarHBondContact O-CB 3.32Å; I283-L287 PolarHBondContact O-N 3.45Å; I284-L287 PolarHBondContact O-N 2.85Å; L287-L289 VanDerWaalsContact C-N 3.31Å; L287-L289 PolarHBondContact O-N 3.37Å; L287-I290 PolarHBondContact O-N 2.93Å; L287-L291 HydrophobicContact CD1-CD1 4.05Å; L287-L291 HydrophobicContact CD1-CG 4.07Å; L287-L291 HydrophobicContact CG-CD1 3.95Å; L287-L291 HydrophobicContact CG-CG 4.37Å; L287-L291 WeakPolarHBondContact O-CB 3.4Å; L287-L291 VanDerWaalsContact O-CG 3.26Å; L287-L291 WeakPolarHBondContact O-CG 3.22Å; L287-L291 PolarHBondContact O-N 3.19Å |
| 288 | H | 96.8 | Very high | 92.5 | Very high | 24 Ų | 24 | 65 Ų | 65 | 11% | 0.111 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67 | -32 | -178.1 | -72.4 | 77 | 0 | 0 | 0 | 112.3 | I284 I285 G292 L312 A316 Y406 | I284-H288 WeakPolarHBondContact O-CB 3.42Å; I284-H288 PolarHBondContact O-N 3.05Å; I284-H288 PolarHBondContact O-ND1 3.33Å; I285-H288 PolarHBondContact O-N 3.36Å; H288-G292 PolarHBondContact O-N 3.35Å; H288-L312 HydrophobicContact CB-CB 4.36Å; H288-L312 PolarHBondContact CD2-O 2.94Å; H288-A316 HydrophobicContact CB-CB 3.99Å; H288-Y406 HydrophobicContact CB-CE2 4.06Å; H288-Y406 WeakPolarHBondContact CB-OH 3.32Å |
| 289 | L | 94.5 | Very high | 91.1 | Very high | 77 Ų | 77 | 58.2 Ų | 58.2 | 40% | 0.403 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.9 | -43.5 | 170.5 | -72 | 173 | 0 | 0 | 0 | 112.4 | I285 G286 L287 G292 I293 Y406 | I285-L289 HydrophobicContact CG2-CD1 3.82Å; I285-L289 HydrophobicContact CG2-CG 4.4Å; I285-L289 WeakPolarHBondContact O-CB 3.5Å; I285-L289 VanDerWaalsContact O-CG 3.26Å; I285-L289 WeakPolarHBondContact O-CG 3.42Å; I285-L289 PolarHBondContact O-N 3.07Å; G286-L289 PolarHBondContact O-N 3.32Å; L287-L289 VanDerWaalsContact C-N 3.31Å; L287-L289 PolarHBondContact O-N 3.37Å; L289-G292 PolarHBondContact O-N 3.06Å; L289-I293 VanDerWaalsContact O-CG1 3.28Å; L289-I293 WeakPolarHBondContact O-CG1 3.47Å; L289-I293 PolarHBondContact O-N 3.13Å; L289-Y406 HydrophobicContact CD2-CD1 3.94Å; L289-Y406 HydrophobicContact CD2-CD2 4.49Å; L289-Y406 HydrophobicContact CD2-CE1 3.59Å; L289-Y406 HydrophobicContact CD2-CE2 4.18Å; L289-Y406 HydrophobicContact CD2-CG 4.38Å; L289-Y406 HydrophobicContact CG-CE1 4.04Å |
| 290 | I | 94.8 | Very high | 89.5 | Confident | 112 Ų | 112 | 57.3 Ų | 57.3 | 57% | 0.574 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.6 | -44.3 | 176.5 | -70.8 | 164.1 | 0 | 0 | 0 | 110.9 | G286 L287 G292 I293 F294 | G286-I290 WeakPolarHBondContact O-CB 3.45Å; G286-I290 WeakPolarHBondContact O-CD1 3.28Å; G286-I290 VanDerWaalsContact O-CG1 3.23Å; G286-I290 WeakPolarHBondContact O-CG1 3.24Å; G286-I290 PolarHBondContact O-N 3.35Å; L287-I290 PolarHBondContact O-N 2.93Å; I290-G292 VanDerWaalsContact C-N 3.34Å; I290-G292 PolarHBondContact O-N 3.3Å; I290-I293 PolarHBondContact O-N 2.95Å; I290-F294 WeakPolarHBondContact O-CB 3.3Å; I290-F294 PolarHBondContact O-N 3.17Å |
| 291 | L | 94.3 | Very high | 87.9 | Confident | 49 Ų | 49 | 63.2 Ų | 63.2 | 26% | 0.257 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 175.9 | -70.6 | 175.3 | 0 | 0 | 0 | 111.9 | Y161 L287 S295 L312 | Y161-L291 HydrophobicContact CE1-CB 4.38Å; Y161-L291 HydrophobicContact CE1-CD2 3.82Å; Y161-L291 HydrophobicContact CE1-CG 4.49Å; Y161-L291 HydrophobicContact CE2-CB 3.83Å; Y161-L291 VanDerWaalsContact CE2-O 3.31Å; Y161-L291 WeakPolarHBondContact CE2-O 3.39Å; Y161-L291 WeakPolarHBondContact OH-CA 3.35Å; Y161-L291 WeakPolarHBondContact OH-CD2 3.04Å; Y161-L291 PolarHBondContact OH-O 2.73Å; L287-L291 HydrophobicContact CD1-CD1 4.05Å; L287-L291 HydrophobicContact CD1-CG 4.07Å; L287-L291 HydrophobicContact CG-CD1 3.95Å; L287-L291 HydrophobicContact CG-CG 4.37Å; L287-L291 WeakPolarHBondContact O-CB 3.4Å; L287-L291 VanDerWaalsContact O-CG 3.26Å; L287-L291 WeakPolarHBondContact O-CG 3.22Å; L287-L291 PolarHBondContact O-N 3.19Å; L291-S295 PolarHBondContact O-N 2.93Å; L291-L312 HydrophobicContact CB-CD1 4.25Å; L291-L312 HydrophobicContact CB-CD2 4.23Å; L291-L312 HydrophobicContact CD1-CD2 4.36Å |
| 292 | G | 91.8 | Very high | 86.6 | Confident | 4 Ų | 4 | 61.9 Ų | 61.9 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.4 | -57.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | H288 L289 I290 F294 S295 F296 | H288-G292 PolarHBondContact O-N 3.35Å; L289-G292 PolarHBondContact O-N 3.06Å; I290-G292 VanDerWaalsContact C-N 3.34Å; I290-G292 PolarHBondContact O-N 3.3Å; G292-F294 VanDerWaalsContact C-N 3.26Å; G292-F294 PolarHBondContact O-N 2.98Å; G292-S295 WeakPolarHBondContact O-CB 3.44Å; G292-S295 PolarHBondContact O-N 2.97Å; G292-F296 WeakPolarHBondContact O-CD2 3.32Å; G292-F296 WeakPolarHBondContact O-CE2 3.4Å; G292-F296 WeakPolarHBondContact O-CG 3.46Å; G292-F296 PolarHBondContact O-N 3.17Å |
| 293 | I | 89.1 | Confident | 85.5 | Confident | 112 Ų | 112 | 56.1 Ų | 56.1 | 57% | 0.574 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -51.6 | -46.4 | 177.8 | -68.6 | 163.9 | 0 | 0 | 0 | 111 | L289 I290 F296 T297 | L289-I293 VanDerWaalsContact O-CG1 3.28Å; L289-I293 WeakPolarHBondContact O-CG1 3.47Å; L289-I293 PolarHBondContact O-N 3.13Å; I290-I293 PolarHBondContact O-N 2.95Å; I293-F296 PolarHBondContact O-N 3.38Å; I293-T297 PolarHBondContact O-N 3.4Å |
| 294 | F | 89.5 | Confident | 84.6 | Confident | 112 Ų | 112 | 52.5 Ų | 52.5 | 49% | 0.491 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.2 | -50.5 | 176.1 | 178.6 | -97.3 | 0 | 0 | 0 | 112.1 | I290 G292 F296 T297 L298 | I290-F294 WeakPolarHBondContact O-CB 3.3Å; I290-F294 PolarHBondContact O-N 3.17Å; G292-F294 VanDerWaalsContact C-N 3.26Å; G292-F294 PolarHBondContact O-N 2.98Å; F294-F296 PolarHBondContact O-N 3.21Å; F294-T297 PolarHBondContact O-N 2.9Å; F294-T297 PolarHBondContact O-OG1 3.16Å; F294-L298 HydrophobicContact CD1-CD1 4.43Å; F294-L298 HydrophobicContact CE1-CD1 4.02Å; F294-L298 HydrophobicContact CE1-CD2 4.35Å; F294-L298 HydrophobicContact CE1-CG 4.45Å; F294-L298 HydrophobicContact CZ-CD2 4.27Å |
| 295 | S | 86.6 | Confident | 84 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57 | -39.1 | 177.4 | -165.2 | 0 | 0 | 0 | 0 | 111.9 | C165 L291 G292 T297 L298 | C165-S295 PolarHBondContact SG-OG 3.18Å; L291-S295 PolarHBondContact O-N 2.93Å; G292-S295 WeakPolarHBondContact O-CB 3.44Å; G292-S295 PolarHBondContact O-N 2.97Å; S295-T297 PolarHBondContact O-N 2.83Å; S295-L298 WeakPolarHBondContact O-CB 3.23Å; S295-L298 PolarHBondContact O-N 2.82Å |
| 296 | F | 80 | Confident | 83.5 | Confident | 40 Ų | 40 | 50 Ų | 50 | 18% | 0.175 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71.3 | -13.7 | -179.5 | -48.2 | -38 | 0 | 0 | 0 | 113.6 | G292 I293 F294 R305 A309 L402 | G292-F296 WeakPolarHBondContact O-CD2 3.32Å; G292-F296 WeakPolarHBondContact O-CE2 3.4Å; G292-F296 WeakPolarHBondContact O-CG 3.46Å; G292-F296 PolarHBondContact O-N 3.17Å; I293-F296 PolarHBondContact O-N 3.38Å; F294-F296 PolarHBondContact O-N 3.21Å; F296-R305 HydrophobicContact CD1-CB 4.02Å; F296-R305 HydrophobicContact CD1-CG 4.19Å; F296-R305 HydrophobicContact CE1-CB 4.13Å; F296-R305 WeakPolarHBondContact CE1-O 3.38Å; F296-A309 HydrophobicContact CZ-CB 4.08Å; F296-L402 HydrophobicContact CD1-CD1 4.08Å; F296-L402 HydrophobicContact CD1-CD2 4.43Å; F296-L402 HydrophobicContact CD2-CD1 3.58Å; F296-L402 HydrophobicContact CE1-CD1 4.13Å; F296-L402 HydrophobicContact CE1-CD2 3.88Å; F296-L402 HydrophobicContact CE2-CB 4.37Å; F296-L402 HydrophobicContact CE2-CD1 3.63Å; F296-L402 HydrophobicContact CE2-CD2 4.44Å; F296-L402 HydrophobicContact CE2-CG 4.37Å; F296-L402 HydrophobicContact CG-CD1 3.85Å; F296-L402 HydrophobicContact CZ-CB 4.45Å; F296-L402 HydrophobicContact CZ-CD1 3.92Å; F296-L402 HydrophobicContact CZ-CD2 3.89Å; F296-L402 HydrophobicContact CZ-CG 4.31Å |
| 297 | T | 80.8 | Confident | 83.2 | Confident | 104 Ų | 104 | 49.8 Ų | 49.8 | 64% | 0.638 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -14.9 | 168.8 | 69.3 | 0 | 0 | 0 | 0 | 114 | I293 F294 S295 | I293-T297 PolarHBondContact O-N 3.4Å; F294-T297 PolarHBondContact O-N 2.9Å; F294-T297 PolarHBondContact O-OG1 3.16Å; S295-T297 PolarHBondContact O-N 2.83Å |
| 298 | L | 78.7 | Confident | 83 | Confident | 30 Ų | 30 | 45.6 Ų | 45.6 | 16% | 0.157 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -84.8 | -20.7 | -174 | -59.7 | 177 | 0 | 0 | 0 | 114.1 | C165 D168 I169 R171 F294 S295 | C165-L298 HydrophobicContact CB-CD1 3.88Å; D168-L298 HydrophobicContact CB-CB 3.86Å; I169-L298 HydrophobicContact CD1-CD1 4.27Å; I169-L298 HydrophobicContact CG1-CD1 4.23Å; I169-L298 HydrophobicContact CG1-CD2 4.32Å; R171-L298 PolarHBondContact NH2-O 2.74Å; F294-L298 HydrophobicContact CD1-CD1 4.43Å; F294-L298 HydrophobicContact CE1-CD1 4.02Å; F294-L298 HydrophobicContact CE1-CD2 4.35Å; F294-L298 HydrophobicContact CE1-CG 4.45Å; F294-L298 HydrophobicContact CZ-CD2 4.27Å; S295-L298 WeakPolarHBondContact O-CB 3.23Å; S295-L298 PolarHBondContact O-N 2.82Å |
| 299 | D | 66.7 | Low | 82.9 | Confident | 10 Ų | 10 | 44.6 Ų | 44.6 | 5% | 0.053 | 23% | 0.227 | C | C | . | . | trans | -120.4 | 163.4 | -164.4 | 179 | 43.1 | 0 | 0 | 0 | 113.6 | D168 S302 R305 | D168-D299 HydrophobicContact CB-CB 4.12Å; D299-S302 PolarHBondContact OD2-N 2.91Å; D299-S302 PolarHBondContact OD2-OG 3.08Å; D299-R305 PolarHBondContact O-NH2 2.96Å; D299-R305 IonicContact OD2-CZ 3.9Å; D299-R305 IonicContact OD2-NE 2.92Å; D299-R305 PolarHBondContact OD2-NE 2.93Å | ||
| 300 | T | 60.5 | Low | 83 | Confident | 100 Ų | 100 | 41.9 Ų | 41.9 | 61% | 0.613 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -114.2 | 102.7 | 163.7 | 48.1 | 0 | 0 | 0 | 0 | 109.8 | ||
| 301 | W | 62.8 | Low | 83 | Confident | 124 Ų | 124 | 37 Ų | 37 | 47% | 0.47 | 19% | 0.187 | S | C | . | . | S | Bend | trans | 18.8 | 99 | -175.9 | -167.8 | 89.5 | 0 | 0 | 0 | 116.3 | ||
| 302 | S | 69.9 | Low | 83.2 | Confident | 5 Ų | 5 | 34.7 Ų | 34.7 | 4% | 0.035 | 18% | 0.175 | C | C | . | . | trans | -136.6 | 170.5 | 164 | 70.1 | 0 | 0 | 0 | 0 | 111.4 | D299 S304 R305 | D299-S302 PolarHBondContact OD2-N 2.91Å; D299-S302 PolarHBondContact OD2-OG 3.08Å; S302-S304 PolarHBondContact O-N 2.92Å; S302-S304 PolarHBondContact OG-OG 2.83Å; S302-R305 PolarHBondContact O-N 3.35Å | ||
| 303 | T | 73.1 | Confident | 83.5 | Confident | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -18.6 | 178.9 | 52.1 | 0 | 0 | 0 | 0 | 113.5 | L102 E190 R305 G306 D307 | L102-T303 HydrophobicContact CD1-CG2 4.19Å; E190-T303 WeakPolarHBondContact CG-OG1 3.42Å; E190-T303 PolarHBondContact OE1-OG1 3.07Å; T303-R305 PolarHBondContact O-N 3.48Å; T303-R305 VanDerWaalsContact O-N 3.14Å; T303-G306 PolarHBondContact O-N 3.48Å; T303-D307 PolarHBondContact O-N 3.45Å |
| 304 | S | 79 | Confident | 83.9 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.4 | -33.2 | -179.8 | 74.6 | 0 | 0 | 0 | 0 | 112.1 | D168 S302 T308 | D168-S304 PolarHBondContact OD1-OG 3.23Å; S302-S304 PolarHBondContact O-N 2.92Å; S302-S304 PolarHBondContact OG-OG 2.83Å; S304-T308 VanDerWaalsContact O-CB 3.24Å; S304-T308 WeakPolarHBondContact O-CB 3.4Å; S304-T308 PolarHBondContact O-N 2.88Å; S304-T308 PolarHBondContact O-OG1 3.43Å |
| 305 | R | 84.2 | Confident | 84.3 | Confident | 24 Ų | 24 | 25 Ų | 25 | 9% | 0.091 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.9 | -48.1 | -179.3 | -60.2 | 171.5 | 165 | -142.2 | -9.9 | 112.2 | F296 D299 S302 T303 T308 A309 M398 L402 | F296-R305 HydrophobicContact CD1-CB 4.02Å; F296-R305 HydrophobicContact CD1-CG 4.19Å; F296-R305 HydrophobicContact CE1-CB 4.13Å; F296-R305 WeakPolarHBondContact CE1-O 3.38Å; D299-R305 PolarHBondContact O-NH2 2.96Å; D299-R305 IonicContact OD2-CZ 3.9Å; D299-R305 IonicContact OD2-NE 2.92Å; D299-R305 PolarHBondContact OD2-NE 2.93Å; S302-R305 PolarHBondContact O-N 3.35Å; T303-R305 PolarHBondContact O-N 3.48Å; T303-R305 VanDerWaalsContact O-N 3.14Å; R305-T308 PolarHBondContact O-N 2.94Å; R305-A309 PolarHBondContact O-N 3.41Å; R305-M398 PolarHBondContact NH1-SD 2.95Å; R305-L402 HydrophobicContact CB-CD2 4.02Å; R305-L402 WeakPolarHBondContact O-CD2 3.35Å |
| 306 | G | 88 | Confident | 84.8 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.5 | -49.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | T303 T308 A309 E310 R405 | T303-G306 PolarHBondContact O-N 3.48Å; G306-T308 VanDerWaalsContact C-N 3.28Å; G306-T308 PolarHBondContact O-N 3.1Å; G306-A309 WeakPolarHBondContact O-CB 3.33Å; G306-A309 PolarHBondContact O-N 3.48Å; G306-E310 WeakPolarHBondContact O-CB 3.37Å; G306-E310 PolarHBondContact O-N 2.94Å; G306-R405 VanDerWaalsContact C-CZ 3.5Å; G306-R405 WeakPolarHBondContact O-CD 3.36Å |
| 307 | D | 89.5 | Confident | 85.7 | Confident | 25 Ų | 25 | 23.5 Ų | 23.5 | 13% | 0.134 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.9 | -35.6 | 177.9 | -74.3 | 17.8 | 0 | 0 | 0 | 111.4 | T303 E310 I311 R405 | T303-D307 PolarHBondContact O-N 3.45Å; D307-E310 WeakPolarHBondContact O-CB 3.42Å; D307-E310 PolarHBondContact O-N 3.08Å; D307-I311 WeakPolarHBondContact O-CB 3.5Å; D307-I311 VanDerWaalsContact O-CD1 3.29Å; D307-I311 WeakPolarHBondContact O-CD1 3.45Å; D307-I311 WeakPolarHBondContact O-CG1 3.37Å; D307-I311 PolarHBondContact O-N 2.96Å; D307-R405 IonicContact OD1-CZ 3.2Å; D307-R405 IonicContact OD1-NH1 2.74Å; D307-R405 PolarHBondContact OD1-NH1 2.92Å; D307-R405 IonicContact OD1-NH2 3.51Å; D307-R405 PolarHBondContact OD1-NH2 2.96Å |
| 308 | T | 93.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.4 | -41.4 | 174.8 | -61 | 0 | 0 | 0 | 0 | 112.4 | Y161 Q164 S304 R305 G306 E310 I311 L312 | Y161-T308 HydrophobicContact CD2-CG2 3.95Å; Y161-T308 HydrophobicContact CE2-CG2 4.28Å; Q164-T308 WeakPolarHBondContact CB-OG1 3.35Å; Q164-T308 WeakPolarHBondContact CG-OG1 3.4Å; S304-T308 VanDerWaalsContact O-CB 3.24Å; S304-T308 WeakPolarHBondContact O-CB 3.4Å; S304-T308 PolarHBondContact O-N 2.88Å; S304-T308 PolarHBondContact O-OG1 3.43Å; R305-T308 PolarHBondContact O-N 2.94Å; G306-T308 VanDerWaalsContact C-N 3.28Å; G306-T308 PolarHBondContact O-N 3.1Å; T308-E310 VanDerWaalsContact C-N 3.26Å; T308-E310 PolarHBondContact O-N 2.91Å; T308-I311 PolarHBondContact O-N 3.43Å; T308-L312 HydrophobicContact CG2-CD1 3.83Å; T308-L312 HydrophobicContact CG2-CG 4.38Å; T308-L312 WeakPolarHBondContact O-CB 3.4Å; T308-L312 VanDerWaalsContact O-CG 3.31Å; T308-L312 WeakPolarHBondContact O-CG 3.36Å; T308-L312 PolarHBondContact O-N 2.97Å |
| 309 | A | 94.4 | Very high | 87.4 | Confident | 2 Ų | 2 | 18 Ų | 18 | 2% | 0.017 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.4 | -34.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F296 R305 G306 G313 L402 R405 Y406 | F296-A309 HydrophobicContact CZ-CB 4.08Å; R305-A309 PolarHBondContact O-N 3.41Å; G306-A309 WeakPolarHBondContact O-CB 3.33Å; G306-A309 PolarHBondContact O-N 3.48Å; A309-G313 PolarHBondContact O-N 3.45Å; A309-L402 HydrophobicContact CB-CB 4.23Å; A309-L402 HydrophobicContact CB-CD2 3.96Å; A309-R405 HydrophobicContact CB-CB 4.25Å; A309-Y406 WeakPolarHBondContact O-CA 3.49Å |
| 310 | E | 95.3 | Very high | 88.9 | Confident | 20 Ų | 20 | 18.2 Ų | 18.2 | 9% | 0.093 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -72.8 | -42.4 | 177.6 | -176.7 | 159.3 | 151.2 | 0 | 0 | 113 | G306 D307 T308 S314 R405 Y409 | G306-E310 WeakPolarHBondContact O-CB 3.37Å; G306-E310 PolarHBondContact O-N 2.94Å; D307-E310 WeakPolarHBondContact O-CB 3.42Å; D307-E310 PolarHBondContact O-N 3.08Å; T308-E310 VanDerWaalsContact C-N 3.26Å; T308-E310 PolarHBondContact O-N 2.91Å; E310-S314 VanDerWaalsContact O-CB 3.28Å; E310-S314 WeakPolarHBondContact O-CB 3.47Å; E310-S314 PolarHBondContact O-N 2.93Å; E310-S314 PolarHBondContact O-OG 3.16Å; E310-R405 HydrophobicContact CB-CB 4.32Å; E310-R405 IonicContact OE2-CZ 3.26Å; E310-R405 IonicContact OE2-NE 3.26Å; E310-R405 IonicContact OE2-NH1 2.83Å; E310-R405 PolarHBondContact OE2-NH1 2.91Å; E310-Y409 HydrophobicContact CB-CD2 4.44Å; E310-Y409 VanDerWaalsContact CD-CE2 3.4Å; E310-Y409 HydrophobicContact CG-CD1 3.78Å; E310-Y409 HydrophobicContact CG-CD2 3.68Å; E310-Y409 HydrophobicContact CG-CE1 4.02Å; E310-Y409 HydrophobicContact CG-CE2 3.95Å; E310-Y409 HydrophobicContact CG-CG 3.59Å; E310-Y409 WeakPolarHBondContact OE1-CE1 3.35Å; E310-Y409 PolarHBondContact OE1-OH 2.92Å; E310-Y409 VanDerWaalsContact OE2-CE2 3.28Å; E310-Y409 WeakPolarHBondContact OE2-CE2 3.46Å |
| 311 | I | 96.4 | Very high | 90.7 | Very high | 9 Ų | 9 | 13.4 Ų | 13.4 | 5% | 0.046 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61.2 | -52.8 | 172.8 | -69.4 | 153.9 | 0 | 0 | 0 | 110.4 | W156 V157 M160 D307 T308 S314 G315 | W156-I311 HydrophobicContact CH2-CB 4.2Å; W156-I311 HydrophobicContact CH2-CG1 3.89Å; W156-I311 HydrophobicContact CH2-CG2 4.2Å; W156-I311 HydrophobicContact CZ2-CG1 3.98Å; W156-I311 HydrophobicContact CZ3-CG2 4.16Å; V157-I311 HydrophobicContact CB-CG2 4.45Å; V157-I311 HydrophobicContact CG1-CG2 4.34Å; V157-I311 HydrophobicContact CG2-CG2 4.39Å; M160-I311 HydrophobicContact CB-CD1 3.72Å; M160-I311 HydrophobicContact CB-CG1 4.29Å; M160-I311 HydrophobicContact CB-CG2 4.12Å; M160-I311 HydrophobicContact CE-CD1 4.09Å; D307-I311 WeakPolarHBondContact O-CB 3.5Å; D307-I311 VanDerWaalsContact O-CD1 3.29Å; D307-I311 WeakPolarHBondContact O-CD1 3.45Å; D307-I311 WeakPolarHBondContact O-CG1 3.37Å; D307-I311 PolarHBondContact O-N 2.96Å; T308-I311 PolarHBondContact O-N 3.43Å; I311-S314 PolarHBondContact O-N 2.93Å; I311-G315 PolarHBondContact O-N 3.37Å |
| 312 | L | 97.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 7.9 Ų | 7.9 | 1% | 0.005 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -66.7 | -38.7 | -177.8 | -70.2 | 170.9 | 0 | 0 | 0 | 111.9 | V157 Y161 H288 L291 T308 G315 A316 Y406 | V157-L312 HydrophobicContact CG1-CD2 4.27Å; Y161-L312 HydrophobicContact CD2-CD1 3.86Å; Y161-L312 HydrophobicContact CD2-CD2 3.84Å; Y161-L312 HydrophobicContact CD2-CG 4.09Å; Y161-L312 HydrophobicContact CE2-CD1 3.94Å; Y161-L312 HydrophobicContact CE2-CD2 4.4Å; Y161-L312 HydrophobicContact CG-CD2 4.28Å; H288-L312 HydrophobicContact CB-CB 4.36Å; H288-L312 PolarHBondContact CD2-O 2.94Å; L291-L312 HydrophobicContact CB-CD1 4.25Å; L291-L312 HydrophobicContact CB-CD2 4.23Å; L291-L312 HydrophobicContact CD1-CD2 4.36Å; T308-L312 HydrophobicContact CG2-CD1 3.83Å; T308-L312 HydrophobicContact CG2-CG 4.38Å; T308-L312 WeakPolarHBondContact O-CB 3.4Å; T308-L312 VanDerWaalsContact O-CG 3.31Å; T308-L312 WeakPolarHBondContact O-CG 3.36Å; T308-L312 PolarHBondContact O-N 2.97Å; L312-G315 PolarHBondContact O-N 3.47Å; L312-A316 WeakPolarHBondContact O-CB 3.33Å; L312-A316 PolarHBondContact O-N 3.48Å; L312-Y406 HydrophobicContact CB-CD2 4.39Å; L312-Y406 HydrophobicContact CB-CE2 4.15Å |
| 313 | G | 97.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -59 | -53.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A309 G315 A316 G317 G410 | A309-G313 PolarHBondContact O-N 3.45Å; G313-G315 VanDerWaalsContact C-N 3.31Å; G313-G315 PolarHBondContact O-N 2.69Å; G313-A316 PolarHBondContact O-N 2.93Å; G313-G317 PolarHBondContact O-N 2.76Å; G313-G410 WeakPolarHBondContact O-CA 3.33Å |
| 314 | S | 97.8 | Very high | 94.6 | Very high | 18 Ų | 18 | 8.9 Ų | 8.9 | 13% | 0.126 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -55.1 | -44.6 | 178.3 | -59.8 | 0 | 0 | 0 | 0 | 112.6 | E310 I311 G317 I318 | E310-S314 VanDerWaalsContact O-CB 3.28Å; E310-S314 WeakPolarHBondContact O-CB 3.47Å; E310-S314 PolarHBondContact O-N 2.93Å; E310-S314 PolarHBondContact O-OG 3.16Å; I311-S314 PolarHBondContact O-N 2.93Å; S314-G317 PolarHBondContact O-N 3.17Å; S314-I318 WeakPolarHBondContact O-CB 3.49Å; S314-I318 WeakPolarHBondContact O-CG1 3.26Å; S314-I318 PolarHBondContact O-N 3.48Å |
| 315 | G | 98.1 | Very high | 95.4 | Very high | 6 Ų | 6 | 9 Ų | 9 | 6% | 0.062 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -60.7 | -53.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I311 L312 G313 G317 I318 A319 | I311-G315 PolarHBondContact O-N 3.37Å; L312-G315 PolarHBondContact O-N 3.47Å; G313-G315 VanDerWaalsContact C-N 3.31Å; G313-G315 PolarHBondContact O-N 2.69Å; G315-G317 VanDerWaalsContact C-N 3.28Å; G315-G317 PolarHBondContact O-N 2.7Å; G315-I318 PolarHBondContact O-N 2.9Å; G315-A319 WeakPolarHBondContact O-CB 3.48Å; G315-A319 PolarHBondContact O-N 3.43Å |
| 316 | A | 98.4 | Very high | 95.9 | Very high | 4 Ų | 4 | 12.3 Ų | 12.3 | 3% | 0.033 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -58.9 | -41.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I284 H288 L312 G313 C320 | I284-A316 HydrophobicContact CG2-CB 3.88Å; H288-A316 HydrophobicContact CB-CB 3.99Å; L312-A316 WeakPolarHBondContact O-CB 3.33Å; L312-A316 PolarHBondContact O-N 3.48Å; G313-A316 PolarHBondContact O-N 2.93Å; A316-C320 WeakPolarHBondContact O-CB 3.46Å; A316-C320 PolarHBondContact O-N 3.48Å; A316-C320 PolarHBondContact O-SG 2.69Å |
| 317 | G | 98.3 | Very high | 96.1 | Very high | 5 Ų | 5 | 16.8 Ų | 16.8 | 5% | 0.052 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.4 | -54.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G313 S314 G315 A319 C320 G321 G410 F414 | G313-G317 PolarHBondContact O-N 2.76Å; S314-G317 PolarHBondContact O-N 3.17Å; G315-G317 VanDerWaalsContact C-N 3.28Å; G315-G317 PolarHBondContact O-N 2.7Å; G317-A319 VanDerWaalsContact C-N 3.32Å; G317-A319 PolarHBondContact O-N 2.92Å; G317-C320 PolarHBondContact O-N 3.26Å; G317-G321 PolarHBondContact O-N 3.48Å; G317-G410 WeakPolarHBondContact CA-O 3.22Å; G317-F414 VanDerWaalsContact C-N 3.33Å; G317-F414 VanDerWaalsContact O-CA 3.24Å; G317-F414 WeakPolarHBondContact O-CA 3.2Å; G317-F414 PolarHBondContact O-N 3.21Å |
| 318 | I | 97.7 | Very high | 96.2 | Very high | 10 Ų | 10 | 21.2 Ų | 21.2 | 5% | 0.051 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.8 | -41.4 | -179.5 | -75.8 | 175.1 | 0 | 0 | 0 | 111.1 | V153 S314 G315 S322 G413 T417 | V153-I318 HydrophobicContact CB-CD1 4.43Å; V153-I318 HydrophobicContact CB-CG2 4.18Å; V153-I318 HydrophobicContact CG1-CB 4.19Å; V153-I318 HydrophobicContact CG1-CD1 3.85Å; V153-I318 HydrophobicContact CG1-CG2 3.93Å; V153-I318 HydrophobicContact CG2-CD1 3.82Å; V153-I318 HydrophobicContact CG2-CG2 4.26Å; S314-I318 WeakPolarHBondContact O-CB 3.49Å; S314-I318 WeakPolarHBondContact O-CG1 3.26Å; S314-I318 PolarHBondContact O-N 3.48Å; G315-I318 PolarHBondContact O-N 2.9Å; I318-S322 WeakPolarHBondContact O-CB 3.28Å; I318-S322 PolarHBondContact O-N 3.25Å; I318-S322 PolarHBondContact O-OG 2.85Å; I318-G413 WeakPolarHBondContact CG1-O 3.42Å; I318-T417 HydrophobicContact CB-CG2 4.36Å; I318-T417 HydrophobicContact CG1-CG2 4.41Å; I318-T417 HydrophobicContact CG2-CG2 3.83Å; I318-T417 PolarHBondContact O-OG1 3.48Å |
| 319 | A | 97.9 | Very high | 96 | Very high | 10 Ų | 10 | 23.3 Ų | 23.3 | 8% | 0.083 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.3 | -43.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N274 I284 G315 G317 S322 H323 | N274-A319 HydrophobicContact CB-CB 4.3Å; I284-A319 HydrophobicContact CD1-CB 3.8Å; I284-A319 HydrophobicContact CG1-CB 4.38Å; I284-A319 HydrophobicContact CG2-CB 4.06Å; G315-A319 WeakPolarHBondContact O-CB 3.48Å; G315-A319 PolarHBondContact O-N 3.43Å; G317-A319 VanDerWaalsContact C-N 3.32Å; G317-A319 PolarHBondContact O-N 2.92Å; A319-S322 PolarHBondContact O-N 3.48Å; A319-H323 PolarHBondContact O-N 3.13Å |
| 320 | C | 98 | Very high | 95.4 | Very high | 13 Ų | 13 | 24.9 Ų | 24.9 | 9% | 0.088 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.1 | -35.3 | 177.1 | -67 | 0 | 0 | 0 | 0 | 113.1 | A316 G317 H323 A324 F414 | A316-C320 WeakPolarHBondContact O-CB 3.46Å; A316-C320 PolarHBondContact O-N 3.48Å; A316-C320 PolarHBondContact O-SG 2.69Å; G317-C320 PolarHBondContact O-N 3.26Å; C320-H323 WeakPolarHBondContact O-CB 3.16Å; C320-H323 PolarHBondContact O-N 3.37Å; C320-A324 PolarHBondContact O-N 3.48Å; C320-A324 VanDerWaalsContact O-N 3.07Å; C320-F414 HydrophobicContact CB-CD2 4.13Å |
| 321 | G | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70.7 | -36.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | G317 A324 A325 F414 T417 | G317-G321 PolarHBondContact O-N 3.48Å; G321-A324 PolarHBondContact O-N 2.94Å; G321-A325 WeakPolarHBondContact O-CB 3.38Å; G321-A325 PolarHBondContact O-N 3.27Å; G321-F414 VanDerWaalsContact N-CD2 3.34Å; G321-T417 VanDerWaalsContact CA-OG1 3.28Å; G321-T417 WeakPolarHBondContact CA-OG1 3.38Å |
| 322 | S | 96.3 | Very high | 93.3 | Very high | 8 Ų | 8 | 31 Ų | 31 | 6% | 0.056 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.4 | -40.9 | 171.4 | -57.3 | 0 | 0 | 0 | 0 | 112.2 | R150 I318 A319 A324 A325 Y326 T417 | R150-S322 VanDerWaalsContact CD-CB 3.47Å; R150-S322 WeakPolarHBondContact CD-OG 2.98Å; I318-S322 WeakPolarHBondContact O-CB 3.28Å; I318-S322 PolarHBondContact O-N 3.25Å; I318-S322 PolarHBondContact O-OG 2.85Å; A319-S322 PolarHBondContact O-N 3.48Å; S322-A324 PolarHBondContact O-N 2.86Å; S322-A325 PolarHBondContact O-N 3.04Å; S322-Y326 WeakPolarHBondContact O-CB 3.27Å; S322-Y326 PolarHBondContact O-N 3.22Å; S322-T417 PolarHBondContact N-OG1 3.15Å |
| 323 | H | 96.8 | Very high | 92.5 | Very high | 13 Ų | 13 | 33.2 Ų | 33.2 | 6% | 0.06 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.6 | -45.2 | 172.1 | -172.2 | 75 | 0 | 0 | 0 | 112 | N274 Q275 Y277 P281 A319 C320 N327 | N274-H323 WeakPolarHBondContact O-CB 3.19Å; N274-H323 PolarHBondContact O-ND1 2.85Å; Q275-H323 PolarHBondContact O-ND1 3.06Å; Y277-H323 PolarHBondContact O-CE1 3.44Å; P281-H323 HydrophobicContact CG-CB 4.24Å; P281-H323 WeakPolarHBondContact CG-CD2 3.3Å; A319-H323 PolarHBondContact O-N 3.13Å; C320-H323 WeakPolarHBondContact O-CB 3.16Å; C320-H323 PolarHBondContact O-N 3.37Å; H323-N327 PolarHBondContact CD2-ND2 3.4Å; H323-N327 PolarHBondContact NE2-ND2 3.48Å; H323-N327 WeakPolarHBondContact O-CB 3.48Å; H323-N327 VanDerWaalsContact O-CG 3.25Å; H323-N327 PolarHBondContact O-N 2.89Å; H323-N327 PolarHBondContact O-ND2 3.32Å |
| 324 | A | 96 | Very high | 91.7 | Very high | 18 Ų | 18 | 35.8 Ų | 35.8 | 15% | 0.149 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.5 | -40.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | C320 G321 S322 L328 F414 F418 | C320-A324 PolarHBondContact O-N 3.48Å; C320-A324 VanDerWaalsContact O-N 3.07Å; G321-A324 PolarHBondContact O-N 2.94Å; S322-A324 PolarHBondContact O-N 2.86Å; A324-L328 WeakPolarHBondContact O-CB 3.37Å; A324-L328 PolarHBondContact O-N 3.48Å; A324-L328 VanDerWaalsContact O-N 3.17Å; A324-F414 HydrophobicContact CB-CE2 4.01Å; A324-F414 HydrophobicContact CB-CZ 4.11Å; A324-F418 HydrophobicContact CB-CB 4.45Å; A324-F418 HydrophobicContact CB-CD2 3.58Å; A324-F418 HydrophobicContact CB-CE2 3.87Å; A324-F418 HydrophobicContact CB-CG 3.93Å; A324-F418 HydrophobicContact CB-CZ 4.47Å |
| 325 | A | 94.8 | Very high | 90.7 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 3% | 0.025 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.2 | -36.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G321 S322 G329 I330 T417 F418 | G321-A325 WeakPolarHBondContact O-CB 3.38Å; G321-A325 PolarHBondContact O-N 3.27Å; S322-A325 PolarHBondContact O-N 3.04Å; A325-G329 PolarHBondContact O-N 3.18Å; A325-G329 VanDerWaalsContact O-N 3.17Å; A325-I330 HydrophobicContact CB-CB 4.41Å; A325-I330 PolarHBondContact O-N 3.49Å; A325-T417 WeakPolarHBondContact CB-O 3.47Å; A325-F418 HydrophobicContact CB-CD2 4.22Å |
| 326 | Y | 94 | Very high | 90.1 | Very high | 93 Ų | 93 | 44.5 Ų | 44.5 | 37% | 0.365 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.7 | -53.7 | 173.2 | -179 | -95.6 | 0 | 0 | 0 | 111.3 | Q275 T276 S322 L328 G329 | Q275-Y326 HydrophobicContact CB-CD2 4.24Å; Q275-Y326 HydrophobicContact CB-CG 4.1Å; Q275-Y326 WeakPolarHBondContact O-CD1 3.28Å; T276-Y326 HydrophobicContact CG2-CE1 4.02Å; T276-Y326 HydrophobicContact CG2-CE2 4.44Å; S322-Y326 WeakPolarHBondContact O-CB 3.27Å; S322-Y326 PolarHBondContact O-N 3.22Å; Y326-L328 PolarHBondContact O-N 3.03Å; Y326-L328 VanDerWaalsContact O-N 3.16Å; Y326-G329 PolarHBondContact O-N 3.44Å |
| 327 | N | 92.6 | Very high | 89.4 | Confident | 95 Ų | 95 | 53.1 Ų | 53.1 | 51% | 0.508 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.2 | -25.5 | -178.8 | -72.1 | -22.7 | 0 | 0 | 0 | 114.1 | H323 | H323-N327 PolarHBondContact CD2-ND2 3.4Å; H323-N327 PolarHBondContact NE2-ND2 3.48Å; H323-N327 WeakPolarHBondContact O-CB 3.48Å; H323-N327 VanDerWaalsContact O-CG 3.25Å; H323-N327 PolarHBondContact O-N 2.89Å; H323-N327 PolarHBondContact O-ND2 3.32Å |
| 328 | L | 91.5 | Very high | 88.9 | Confident | 118 Ų | 118 | 56.2 Ų | 56.2 | 62% | 0.618 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | 6.6 | 177.8 | -72.4 | 164.7 | 0 | 0 | 0 | 113.5 | A324 Y326 I330 F418 | A324-L328 WeakPolarHBondContact O-CB 3.37Å; A324-L328 PolarHBondContact O-N 3.48Å; A324-L328 VanDerWaalsContact O-N 3.17Å; Y326-L328 PolarHBondContact O-N 3.03Å; Y326-L328 VanDerWaalsContact O-N 3.16Å; L328-I330 HydrophobicContact CB-CD1 3.85Å; L328-I330 HydrophobicContact CB-CG1 4.11Å; L328-I330 PolarHBondContact O-N 2.97Å; L328-F418 HydrophobicContact CD1-CE2 3.54Å; L328-F418 HydrophobicContact CD1-CZ 3.64Å |
| 329 | G | 88.6 | Confident | 88.4 | Confident | 43 Ų | 43 | 58.3 Ų | 58.3 | 44% | 0.443 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67 | 15.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | A325 Y326 | A325-G329 PolarHBondContact O-N 3.18Å; A325-G329 VanDerWaalsContact O-N 3.17Å; Y326-G329 PolarHBondContact O-N 3.44Å |
| 330 | I | 83 | Confident | 88 | Confident | 36 Ų | 36 | 60.9 Ų | 60.9 | 19% | 0.185 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -74.4 | -28.5 | -175.1 | -62.2 | 162.6 | 0 | 0 | 0 | 111.3 | A325 L328 F418 P421 Y422 | A325-I330 HydrophobicContact CB-CB 4.41Å; A325-I330 PolarHBondContact O-N 3.49Å; L328-I330 HydrophobicContact CB-CD1 3.85Å; L328-I330 HydrophobicContact CB-CG1 4.11Å; L328-I330 PolarHBondContact O-N 2.97Å; I330-F418 HydrophobicContact CD1-CD2 3.93Å; I330-F418 HydrophobicContact CD1-CE2 3.44Å; I330-F418 VanDerWaalsContact CD1-CE2 3.44Å; I330-F418 HydrophobicContact CD1-CZ 4.3Å; I330-P421 HydrophobicContact CG2-CB 4.27Å; I330-Y422 HydrophobicContact CD1-CD2 3.75Å; I330-Y422 HydrophobicContact CD1-CG 4.44Å; I330-Y422 HydrophobicContact CG1-CD2 4.29Å |
| 331 | S | 71.5 | Confident | 87.6 | Confident | 30 Ų | 30 | 61.5 Ų | 61.5 | 21% | 0.21 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -143.2 | 91.9 | -179.1 | -64 | 0 | 0 | 0 | 0 | 109.8 | ||
| 332 | L | 76.1 | Confident | 87.3 | Confident | 126 Ų | 126 | 64.4 Ų | 64.4 | 66% | 0.66 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -93.3 | 127.1 | 173.4 | -62.4 | 174.8 | 0 | 0 | 0 | 109.1 | ||
| 333 | D | 81 | Confident | 86.9 | Confident | 49 Ų | 49 | 69.3 Ų | 69.3 | 26% | 0.262 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 139 | 176.9 | -64.4 | -41.6 | 0 | 0 | 0 | 110.5 | F147 R150 Q275 S335 | F147-D333 HydrophobicContact CD2-CB 4.15Å; R150-D333 IonicContact CZ-OD1 2.72Å; R150-D333 IonicContact CZ-OD2 3.27Å; R150-D333 IonicContact NH1-OD1 3.65Å; R150-D333 PolarHBondContact NH1-OD1 3.17Å; R150-D333 IonicContact NH1-OD2 3.21Å; R150-D333 IonicContact NH2-OD1 3.43Å; R150-D333 PolarHBondContact NH2-OD1 2.98Å; R150-D333 IonicContact NH2-OD2 3.59Å; R150-D333 PolarHBondContact NH2-OD2 2.85Å; Q275-D333 PolarHBondContact NE2-OD2 3.25Å; D333-S335 PolarHBondContact O-N 3.41Å |
| 334 | P | 79.1 | Confident | 86.4 | Confident | 54 Ų | 54 | 71.7 Ų | 71.7 | 35% | 0.351 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 137.1 | 177.5 | -27.2 | 34.1 | 0 | 0 | 0 | 113 | T338 | P334-T338 WeakPolarHBondContact CB-OG1 3.37Š|
| 335 | S | 78.3 | Confident | 86.1 | Confident | 68 Ų | 68 | 75.7 Ų | 75.7 | 48% | 0.476 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 148.7 | -178.8 | 70.7 | 0 | 0 | 0 | 0 | 111.5 | D333 H337 T338 | D333-S335 PolarHBondContact O-N 3.41Å; S335-H337 PolarHBondContact O-N 2.99Å; S335-T338 PolarHBondContact O-N 3.47Å; S335-T338 PolarHBondContact O-OG1 3.31Å |
| 336 | L | 84.7 | Confident | 85.8 | Confident | 139 Ų | 139 | 83.1 Ų | 83.1 | 73% | 0.728 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -56.7 | -26.5 | -175.5 | -63.1 | 176.8 | 0 | 0 | 0 | 113.5 | T338 L339 | L336-T338 PolarHBondContact O-N 3.45Å; L336-L339 HydrophobicContact CD2-CD1 3.96Å; L336-L339 PolarHBondContact O-N 3.36Å |
| 337 | H | 84.8 | Confident | 85.7 | Confident | 184 Ų | 184 | 82 Ų | 82 | 85% | 0.852 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -70.1 | -10.7 | 175.9 | -55.4 | -61.6 | 0 | 0 | 0 | 114.6 | S335 | S335-H337 PolarHBondContact O-N 2.99Š|
| 338 | T | 86.3 | Confident | 85.7 | Confident | 70 Ų | 70 | 83.6 Ų | 83.6 | 43% | 0.429 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -93.7 | 0.1 | 175.5 | 62.9 | 0 | 0 | 0 | 0 | 113.5 | P334 S335 L336 | P334-T338 WeakPolarHBondContact CB-OG1 3.37Å; S335-T338 PolarHBondContact O-N 3.47Å; S335-T338 PolarHBondContact O-OG1 3.31Å; L336-T338 PolarHBondContact O-N 3.45Å |
| 339 | L | 88.3 | Confident | 85.8 | Confident | 54 Ų | 54 | 83 Ų | 83 | 28% | 0.283 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -92 | 146.3 | -179.4 | -53.1 | -175.4 | 0 | 0 | 0 | 111.4 | R215 L336 L341 | R215-L339 HydrophobicContact CG-CD2 4.1Å; L336-L339 HydrophobicContact CD2-CD1 3.96Å; L336-L339 PolarHBondContact O-N 3.36Å; L339-L341 HydrophobicContact CD2-CD1 4.19Å; L339-L341 HydrophobicContact CD2-CD2 4.15Å; L339-L341 HydrophobicContact CD2-CG 3.75Å |
| 340 | P | 89.4 | Confident | 86 | Confident | 64 Ų | 64 | 83.7 Ų | 83.7 | 42% | 0.416 | 48% | 0.482 | S | S | . | . | S | Bend | cis | -79 | 136.7 | -2.4 | 31.8 | -34.6 | 0 | 0 | 0 | 112.5 | G214 R215 Q217 A342 | G214-P340 WeakPolarHBondContact O-CB 3.31Å; R215-P340 WeakPolarHBondContact O-CA 3.37Å; Q217-P340 HydrophobicContact CG-CB 3.75Å; Q217-P340 HydrophobicContact CG-CG 3.75Å; Q217-P340 PolarHBondContact NE2-O 3.21Å; P340-A342 PolarHBondContact O-N 2.79Å |
| 341 | L | 90.2 | Very high | 86.5 | Confident | 27 Ų | 27 | 88.5 Ų | 88.5 | 14% | 0.141 | 50% | 0.502 | C | S | . | . | B | Isolated β-bridge | trans | -64.3 | 123.8 | 179.7 | -62.1 | 171 | 0 | 0 | 0 | 110.9 | R215 W216 Q217 L339 | R215-L341 WeakPolarHBondContact O-CB 3.39Å; R215-L341 PolarHBondContact O-N 3.31Å; W216-L341 CarbonylContact C-O 3.6Å; W216-L341 WeakPolarHBondContact CA-O 3.33Å; W216-L341 HydrophobicContact CD2-CB 3.75Å; W216-L341 HydrophobicContact CD2-CD1 4.12Å; W216-L341 HydrophobicContact CE3-CB 3.63Å; W216-L341 HydrophobicContact CG-CB 4.32Å; W216-L341 HydrophobicContact CH2-CB 4.27Å; W216-L341 HydrophobicContact CH2-CD1 4.19Å; W216-L341 HydrophobicContact CZ2-CB 4.37Å; W216-L341 HydrophobicContact CZ2-CD1 3.65Å; W216-L341 HydrophobicContact CZ3-CB 3.9Å; Q217-L341 PolarHBondContact N-O 3.25Å; L339-L341 HydrophobicContact CD2-CD1 4.19Å; L339-L341 HydrophobicContact CD2-CD2 4.15Å; L339-L341 HydrophobicContact CD2-CG 3.75Å |
| 342 | A | 90.2 | Very high | 87.6 | Confident | 61 Ų | 61 | 88.7 Ų | 88.7 | 50% | 0.504 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 142 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | P340 P344 | P340-A342 PolarHBondContact O-N 2.79Å; A342-P344 WeakPolarHBondContact O-CD 3.41Å |
| 343 | I | 88.6 | Confident | 88.5 | Confident | 110 Ų | 110 | 85.9 Ų | 85.9 | 56% | 0.564 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 121.7 | 173.8 | -59.2 | 176.1 | 0 | 0 | 0 | 108.2 | ||
| 344 | P | 86.4 | Confident | 89.1 | Confident | 63 Ų | 63 | 84.5 Ų | 84.5 | 41% | 0.409 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 148.3 | -179.9 | 28.4 | -35.3 | 0 | 0 | 0 | 111.2 | A342 L346 L350 | A342-P344 WeakPolarHBondContact O-CD 3.41Å; P344-L346 PolarHBondContact O-N 3.1Å; P344-L350 HydrophobicContact CB-CD2 4.1Å; P344-L350 HydrophobicContact CG-CD2 3.83Å |
| 345 | P | 88.2 | Confident | 89.9 | Confident | 103 Ų | 103 | 86 Ų | 86 | 67% | 0.669 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 138.7 | 176.2 | 26.2 | -34 | 0 | 0 | 0 | 110.9 | T347 | P345-T347 PolarHBondContact O-N 3.17Š|
| 346 | L | 88.2 | Confident | 90.8 | Very high | 158 Ų | 158 | 86.4 Ų | 86.4 | 83% | 0.827 | 49% | 0.487 | S | S | * | . | trans | -71.3 | 75.8 | -179.9 | -68 | 175.1 | 0 | 0 | 0 | 111.5 | P344 | P344-L346 PolarHBondContact O-N 3.1Š| ||
| 347 | T | 93.3 | Very high | 91.4 | Very high | 69 Ų | 69 | 80.7 Ų | 80.7 | 42% | 0.423 | 46% | 0.456 | S | S | . | . | trans | -77.5 | 150 | 173.2 | 63.1 | 0 | 0 | 0 | 0 | 111.2 | P345 T349 L350 F351 | P345-T347 PolarHBondContact O-N 3.17Å; T347-T349 PolarHBondContact O-N 3.45Å; T347-L350 PolarHBondContact O-N 2.96Å; T347-L350 VanDerWaalsContact O-N 3.12Å; T347-L350 VanDerWaalsContact OG1-CB 3.29Å; T347-L350 WeakPolarHBondContact OG1-CB 3.49Å; T347-L350 PolarHBondContact OG1-N 2.87Å; T347-L350 VanDerWaalsContact OG1-N 3.14Å; T347-F351 PolarHBondContact O-N 3.21Å | ||
| 348 | V | 92.9 | Very high | 91.9 | Very high | 130 Ų | 130 | 73.8 Ų | 73.8 | 79% | 0.788 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -56.1 | -37 | 173.9 | -176.4 | 0 | 0 | 0 | 0 | 110.7 | G352 | V348-G352 PolarHBondContact O-N 2.98Å |
| 349 | T | 93.1 | Very high | 92.4 | Very high | 105 Ų | 105 | 74.1 Ų | 74.1 | 64% | 0.644 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.2 | -44.6 | 176.2 | -47.4 | 0 | 0 | 0 | 0 | 112.8 | T347 K353 | T347-T349 PolarHBondContact O-N 3.45Å; T349-K353 WeakPolarHBondContact O-CB 3.41Å; T349-K353 PolarHBondContact O-N 3.39Å |
| 350 | L | 91.9 | Very high | 92.8 | Very high | 58 Ų | 58 | 73.8 Ų | 73.8 | 30% | 0.304 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.2 | -46 | 177.5 | 177.7 | 61.6 | 0 | 0 | 0 | 111.3 | P344 T347 K353 A354 | P344-L350 HydrophobicContact CB-CD2 4.1Å; P344-L350 HydrophobicContact CG-CD2 3.83Å; T347-L350 PolarHBondContact O-N 2.96Å; T347-L350 VanDerWaalsContact O-N 3.12Å; T347-L350 VanDerWaalsContact OG1-CB 3.29Å; T347-L350 WeakPolarHBondContact OG1-CB 3.49Å; T347-L350 PolarHBondContact OG1-N 2.87Å; T347-L350 VanDerWaalsContact OG1-N 3.14Å; L350-K353 PolarHBondContact O-N 3.38Å; L350-A354 WeakPolarHBondContact O-CB 3.11Å; L350-A354 PolarHBondContact O-N 3.01Å |
| 351 | F | 93.3 | Very high | 93.2 | Very high | 136 Ų | 136 | 70.8 Ų | 70.8 | 60% | 0.596 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -65.1 | -42.1 | 178.3 | -173.8 | -112.6 | 0 | 0 | 0 | 112.1 | T347 A354 I355 | T347-F351 PolarHBondContact O-N 3.21Å; F351-A354 PolarHBondContact O-N 3.34Å; F351-I355 HydrophobicContact CD1-CD1 3.9Å; F351-I355 HydrophobicContact CE1-CD1 3.46Å; F351-I355 VanDerWaalsContact CE1-CD1 3.46Å; F351-I355 HydrophobicContact CE2-CD1 4.37Å; F351-I355 HydrophobicContact CZ-CD1 3.73Å; F351-I355 HydrophobicContact CZ-CG1 4.48Å; F351-I355 PolarHBondContact O-N 3Å |
| 352 | G | 94.9 | Very high | 93.5 | Very high | 34 Ų | 34 | 70.9 Ų | 70.9 | 35% | 0.351 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V348 A354 I355 L356 | V348-G352 PolarHBondContact O-N 2.98Å; G352-A354 VanDerWaalsContact C-N 3.32Å; G352-A354 PolarHBondContact O-N 3.32Å; G352-I355 PolarHBondContact O-N 3.47Å; G352-L356 VanDerWaalsContact O-CB 3.26Å; G352-L356 WeakPolarHBondContact O-CB 3.35Å; G352-L356 PolarHBondContact O-N 3.3Å |
| 353 | K | 94.8 | Very high | 93.9 | Very high | 68 Ų | 68 | 73.3 Ų | 73.3 | 30% | 0.296 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -57.4 | -45.2 | 170.7 | -85.9 | -164.6 | 167 | -158.1 | 0 | 111.3 | T349 L350 L356 R357 G428 S430 | T349-K353 WeakPolarHBondContact O-CB 3.41Å; T349-K353 PolarHBondContact O-N 3.39Å; L350-K353 PolarHBondContact O-N 3.38Å; K353-L356 PolarHBondContact O-N 3.33Å; K353-R357 WeakPolarHBondContact O-CG 3.5Å; K353-R357 PolarHBondContact O-N 3.38Å; K353-G428 WeakPolarHBondContact CE-O 3.29Å; K353-G428 PolarHBondContact NZ-O 3.37Å; K353-S430 PolarHBondContact NZ-O 2.79Å |
| 354 | A | 94.9 | Very high | 94.3 | Very high | 20 Ų | 20 | 70.1 Ų | 70.1 | 17% | 0.165 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.1 | -45.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N143 L350 F351 G352 L356 R357 V358 | N143-A354 HydrophobicContact CB-CB 4.44Å; N143-A354 VanDerWaalsContact OD1-CA 3.26Å; N143-A354 WeakPolarHBondContact OD1-CA 3.39Å; L350-A354 WeakPolarHBondContact O-CB 3.11Å; L350-A354 PolarHBondContact O-N 3.01Å; F351-A354 PolarHBondContact O-N 3.34Å; G352-A354 VanDerWaalsContact C-N 3.32Å; G352-A354 PolarHBondContact O-N 3.32Å; A354-L356 VanDerWaalsContact C-N 3.33Å; A354-L356 PolarHBondContact O-N 3.38Å; A354-R357 PolarHBondContact O-N 2.88Å; A354-V358 VanDerWaalsContact O-CG2 3.31Å; A354-V358 WeakPolarHBondContact O-CG2 3.19Å; A354-V358 PolarHBondContact O-N 3.47Å |
| 355 | I | 95.6 | Very high | 94.8 | Very high | 86 Ų | 86 | 67.1 Ų | 67.1 | 44% | 0.441 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.3 | -45.6 | 172.7 | -70.5 | 172.8 | 0 | 0 | 0 | 110.6 | F351 G352 R357 V358 V359 | F351-I355 HydrophobicContact CD1-CD1 3.9Å; F351-I355 HydrophobicContact CE1-CD1 3.46Å; F351-I355 VanDerWaalsContact CE1-CD1 3.46Å; F351-I355 HydrophobicContact CE2-CD1 4.37Å; F351-I355 HydrophobicContact CZ-CD1 3.73Å; F351-I355 HydrophobicContact CZ-CG1 4.48Å; F351-I355 PolarHBondContact O-N 3Å; G352-I355 PolarHBondContact O-N 3.47Å; I355-R357 PolarHBondContact O-N 3.28Å; I355-V358 PolarHBondContact O-N 3.05Å; I355-V359 HydrophobicContact CG2-CG2 4.16Å; I355-V359 WeakPolarHBondContact O-CG2 3.46Å; I355-V359 PolarHBondContact O-N 2.87Å |
| 356 | L | 96.4 | Very high | 95.2 | Very high | 76 Ų | 76 | 66 Ų | 66 | 40% | 0.398 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.5 | -40.6 | -176.6 | -169.8 | 58.8 | 0 | 0 | 0 | 112.3 | G352 K353 A354 I360 I429 | G352-L356 VanDerWaalsContact O-CB 3.26Å; G352-L356 WeakPolarHBondContact O-CB 3.35Å; G352-L356 PolarHBondContact O-N 3.3Å; K353-L356 PolarHBondContact O-N 3.33Å; A354-L356 VanDerWaalsContact C-N 3.33Å; A354-L356 PolarHBondContact O-N 3.38Å; L356-I360 HydrophobicContact CD1-CD1 3.65Å; L356-I360 HydrophobicContact CD1-CG1 4.06Å; L356-I360 HydrophobicContact CG-CD1 3.88Å; L356-I360 WeakPolarHBondContact O-CB 3.2Å; L356-I360 WeakPolarHBondContact O-CG1 3.48Å; L356-I360 PolarHBondContact O-N 3.5Å; L356-I429 HydrophobicContact CB-CD1 4.38Å; L356-I429 HydrophobicContact CD2-CD1 4.25Å; L356-I429 HydrophobicContact CD2-CG2 3.73Å; L356-I429 HydrophobicContact CG-CD1 3.88Å |
| 357 | R | 97.2 | Very high | 95.6 | Very high | 18 Ų | 18 | 64.6 Ų | 64.6 | 7% | 0.068 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 170.6 | -70.5 | -172.7 | -147.9 | 118.8 | -11 | 111.3 | W142 N143 K353 A354 I355 G361 F424 I429 S430 | W142-R357 HydrophobicContact CB-CB 4.47Å; W142-R357 WeakPolarHBondContact O-CD 3.28Å; W142-R357 PolarHBondContact O-NH1 2.87Å; N143-R357 PolarHBondContact OD1-NH1 2.94Å; K353-R357 WeakPolarHBondContact O-CG 3.5Å; K353-R357 PolarHBondContact O-N 3.38Å; A354-R357 PolarHBondContact O-N 2.88Å; I355-R357 PolarHBondContact O-N 3.28Å; R357-G361 WeakPolarHBondContact O-CA 3.21Å; R357-G361 PolarHBondContact O-N 2.94Å; R357-F424 HydrophobicContact CB-CD2 4.25Å; R357-F424 HydrophobicContact CB-CE1 4.4Å; R357-F424 HydrophobicContact CB-CE2 3.69Å; R357-F424 HydrophobicContact CB-CZ 3.78Å; R357-F424 HydrophobicContact CG-CD2 3.82Å; R357-F424 HydrophobicContact CG-CE2 3.79Å; R357-F424 HydrophobicContact CG-CG 4.21Å; R357-F424 HydrophobicContact CG-CZ 4.16Å; R357-F424 WeakPolarHBondContact O-CZ 3.44Å; R357-I429 HydrophobicContact CG-CD1 3.99Å; R357-I429 HydrophobicContact CG-CG1 4.14Å; R357-I429 PolarHBondContact NE-O 2.97Å; R357-I429 PolarHBondContact NH2-O 3.01Å; R357-S430 PolarHBondContact NH2-O 3.12Å; R357-S430 PolarHBondContact NH2-OXT 3.25Å |
| 358 | V | 96 | Very high | 95.8 | Very high | 39 Ų | 39 | 62.2 Ų | 62.2 | 24% | 0.236 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.1 | -47.9 | 178.4 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | F139 A354 I355 M362 | F139-V358 HydrophobicContact CD2-CG2 3.71Å; F139-V358 HydrophobicContact CE2-CG2 4.32Å; A354-V358 VanDerWaalsContact O-CG2 3.31Å; A354-V358 WeakPolarHBondContact O-CG2 3.19Å; A354-V358 PolarHBondContact O-N 3.47Å; I355-V358 PolarHBondContact O-N 3.05Å; V358-M362 HydrophobicContact CG1-CG 4.24Å; V358-M362 VanDerWaalsContact O-CB 3.22Å; V358-M362 WeakPolarHBondContact O-CB 3.25Å; V358-M362 WeakPolarHBondContact O-CG 3.33Å; V358-M362 PolarHBondContact O-N 3.08Å |
| 359 | V | 96.7 | Very high | 96 | Very high | 77 Ų | 77 | 58.8 Ų | 58.8 | 47% | 0.467 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.9 | -51.8 | -177.4 | 173 | 0 | 0 | 0 | 0 | 111.3 | I355 L363 | I355-V359 HydrophobicContact CG2-CG2 4.16Å; I355-V359 WeakPolarHBondContact O-CG2 3.46Å; I355-V359 PolarHBondContact O-N 2.87Å; V359-L363 HydrophobicContact CG1-CD1 4.11Å; V359-L363 WeakPolarHBondContact O-CB 3.43Å; V359-L363 VanDerWaalsContact O-CG 3.25Å; V359-L363 WeakPolarHBondContact O-CG 3.08Å; V359-L363 PolarHBondContact O-N 2.73Å; V359-L363 VanDerWaalsContact O-N 3.08Å |
| 360 | I | 97.1 | Very high | 96.1 | Very high | 48 Ų | 48 | 57.2 Ų | 57.2 | 25% | 0.246 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.2 | -45.7 | 179.3 | -65.6 | 177.8 | 0 | 0 | 0 | 110.5 | L356 M362 L363 L364 F424 I427 I429 | L356-I360 HydrophobicContact CD1-CD1 3.65Å; L356-I360 HydrophobicContact CD1-CG1 4.06Å; L356-I360 HydrophobicContact CG-CD1 3.88Å; L356-I360 WeakPolarHBondContact O-CB 3.2Å; L356-I360 WeakPolarHBondContact O-CG1 3.48Å; L356-I360 PolarHBondContact O-N 3.5Å; I360-M362 PolarHBondContact O-N 2.75Å; I360-L363 PolarHBondContact O-N 3.3Å; I360-L364 HydrophobicContact CG2-CD1 3.83Å; I360-L364 HydrophobicContact CG2-CG 4.38Å; I360-L364 VanDerWaalsContact O-CG 3.32Å; I360-L364 WeakPolarHBondContact O-CG 3.37Å; I360-L364 PolarHBondContact O-N 3.1Å; I360-F424 HydrophobicContact CB-CE1 4.28Å; I360-F424 HydrophobicContact CG2-CE1 4.13Å; I360-I427 HydrophobicContact CD1-CD1 3.96Å; I360-I429 HydrophobicContact CD1-CD1 4.11Å |
| 361 | G | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | W142 R357 L364 V365 | W142-G361 VanDerWaalsContact CH2-CA 3.44Å; R357-G361 WeakPolarHBondContact O-CA 3.21Å; R357-G361 PolarHBondContact O-N 2.94Å; G361-L364 PolarHBondContact O-N 3.32Å; G361-V365 WeakPolarHBondContact O-CB 3.37Å; G361-V365 WeakPolarHBondContact O-CG2 3.18Å; G361-V365 PolarHBondContact O-N 2.93Å |
| 362 | M | 96.8 | Very high | 96.5 | Very high | 30 Ų | 30 | 53.2 Ų | 53.2 | 15% | 0.148 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.5 | -35.2 | 176.9 | -69.6 | -52.3 | -57.5 | 0 | 0 | 112.5 | I134 I135 W142 V358 I360 V365 L366 | I134-M362 HydrophobicContact CG1-CE 4.45Å; I134-M362 HydrophobicContact CG2-CE 4.43Å; I134-M362 WeakPolarHBondContact O-CE 3.49Å; I134-M362 VanDerWaalsContact O-SD 3.37Å; I135-M362 HydrophobicContact CG1-CE 4Å; I135-M362 HydrophobicContact CG1-SD 4.5Å; W142-M362 HydrophobicContact CH2-SD 4.39Å; W142-M362 HydrophobicContact CZ3-CG 4.46Å; W142-M362 HydrophobicContact CZ3-SD 4.27Å; V358-M362 HydrophobicContact CG1-CG 4.24Å; V358-M362 VanDerWaalsContact O-CB 3.22Å; V358-M362 WeakPolarHBondContact O-CB 3.25Å; V358-M362 WeakPolarHBondContact O-CG 3.33Å; V358-M362 PolarHBondContact O-N 3.08Å; I360-M362 PolarHBondContact O-N 2.75Å; M362-V365 HydrophobicContact CE-CG1 4.28Å; M362-V365 PolarHBondContact O-N 3.19Å; M362-L366 WeakPolarHBondContact O-CB 3.38Å; M362-L366 VanDerWaalsContact O-CG 3.22Å; M362-L366 WeakPolarHBondContact O-CG 3.28Å; M362-L366 PolarHBondContact O-N 3.39Å |
| 363 | L | 97.2 | Very high | 96.5 | Very high | 111 Ų | 111 | 53.9 Ų | 53.9 | 58% | 0.581 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -61.9 | -43.4 | 171.1 | -72.6 | 169.5 | 0 | 0 | 0 | 111.4 | V359 I360 L366 F367 | V359-L363 HydrophobicContact CG1-CD1 4.11Å; V359-L363 WeakPolarHBondContact O-CB 3.43Å; V359-L363 VanDerWaalsContact O-CG 3.25Å; V359-L363 WeakPolarHBondContact O-CG 3.08Å; V359-L363 PolarHBondContact O-N 2.73Å; V359-L363 VanDerWaalsContact O-N 3.08Å; I360-L363 PolarHBondContact O-N 3.3Å; L363-L366 PolarHBondContact O-N 3.21Å; L363-F367 VanDerWaalsContact O-CB 3.28Å; L363-F367 WeakPolarHBondContact O-CB 3.46Å; L363-F367 PolarHBondContact O-N 2.73Å |
| 364 | L | 97.5 | Very high | 96.4 | Very high | 44 Ų | 44 | 57 Ų | 57 | 23% | 0.23 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 175.5 | -69.9 | 170.5 | 0 | 0 | 0 | 112.4 | I360 G361 L366 F367 V368 I420 I423 | I360-L364 HydrophobicContact CG2-CD1 3.83Å; I360-L364 HydrophobicContact CG2-CG 4.38Å; I360-L364 VanDerWaalsContact O-CG 3.32Å; I360-L364 WeakPolarHBondContact O-CG 3.37Å; I360-L364 PolarHBondContact O-N 3.1Å; G361-L364 PolarHBondContact O-N 3.32Å; L364-L366 PolarHBondContact O-N 3.36Å; L364-F367 PolarHBondContact O-N 2.83Å; L364-V368 WeakPolarHBondContact O-CB 3.38Å; L364-V368 WeakPolarHBondContact O-CG2 3.5Å; L364-V368 PolarHBondContact O-N 2.97Å; L364-I420 HydrophobicContact CB-CD1 3.81Å; L364-I420 HydrophobicContact CB-CG1 3.9Å; L364-I420 HydrophobicContact CD1-CG1 4.02Å; L364-I420 HydrophobicContact CD1-CG2 4.42Å; L364-I423 HydrophobicContact CD1-CD1 3.86Å; L364-I423 HydrophobicContact CD1-CG2 4.23Å |
| 365 | V | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.3 | -46.6 | 173.5 | 161.5 | 0 | 0 | 0 | 0 | 111.2 | I134 W142 G361 M362 R369 V412 I416 I420 | I134-V365 HydrophobicContact CD1-CG1 3.8Å; I134-V365 HydrophobicContact CG1-CG1 3.89Å; W142-V365 HydrophobicContact CH2-CG2 3.99Å; W142-V365 HydrophobicContact CZ2-CG2 4.35Å; G361-V365 WeakPolarHBondContact O-CB 3.37Å; G361-V365 WeakPolarHBondContact O-CG2 3.18Å; G361-V365 PolarHBondContact O-N 2.93Å; M362-V365 HydrophobicContact CE-CG1 4.28Å; M362-V365 PolarHBondContact O-N 3.19Å; V365-R369 VanDerWaalsContact O-CB 3.26Å; V365-R369 WeakPolarHBondContact O-CB 3.43Å; V365-R369 PolarHBondContact O-N 2.83Å; V365-V412 HydrophobicContact CG1-CG1 3.89Å; V365-I416 HydrophobicContact CG2-CD1 4.23Å; V365-I416 HydrophobicContact CG2-CG1 3.7Å; V365-I420 HydrophobicContact CG2-CD1 3.64Å |
| 366 | L | 96.1 | Very high | 96.4 | Very high | 79 Ų | 79 | 56 Ų | 56 | 41% | 0.414 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.4 | -40 | 179.2 | -70.9 | 171.5 | 0 | 0 | 0 | 112 | M362 L363 L364 R369 D370 | M362-L366 WeakPolarHBondContact O-CB 3.38Å; M362-L366 VanDerWaalsContact O-CG 3.22Å; M362-L366 WeakPolarHBondContact O-CG 3.28Å; M362-L366 PolarHBondContact O-N 3.39Å; L363-L366 PolarHBondContact O-N 3.21Å; L364-L366 PolarHBondContact O-N 3.36Å; L366-R369 VanDerWaalsContact CD2-NH2 3.27Å; L366-R369 PolarHBondContact O-N 2.91Å; L366-D370 WeakPolarHBondContact O-CB 3.34Å; L366-D370 PolarHBondContact O-N 3.42Å |
| 367 | F | 97.3 | Very high | 96.2 | Very high | 129 Ų | 129 | 52.5 Ų | 52.5 | 57% | 0.566 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63.7 | -47.8 | 175.9 | -178.7 | -108.8 | 0 | 0 | 0 | 112.1 | L363 L364 R369 D370 I371 | L363-F367 VanDerWaalsContact O-CB 3.28Å; L363-F367 WeakPolarHBondContact O-CB 3.46Å; L363-F367 PolarHBondContact O-N 2.73Å; L364-F367 PolarHBondContact O-N 2.83Å; F367-R369 PolarHBondContact O-N 3.21Å; F367-D370 PolarHBondContact O-N 2.85Å; F367-I371 HydrophobicContact CD1-CD1 3.91Å; F367-I371 HydrophobicContact CD2-CD1 4.23Å; F367-I371 HydrophobicContact CE1-CD1 3.49Å; F367-I371 VanDerWaalsContact CE1-CD1 3.49Å; F367-I371 HydrophobicContact CE2-CD1 3.84Å; F367-I371 HydrophobicContact CG-CD1 4.28Å; F367-I371 HydrophobicContact CZ-CD1 3.46Å; F367-I371 VanDerWaalsContact CZ-CD1 3.46Å; F367-I371 WeakPolarHBondContact O-CG1 3.5Å; F367-I371 PolarHBondContact O-N 3.36Å |
| 368 | V | 97.4 | Very high | 95.9 | Very high | 19 Ų | 19 | 54.5 Ų | 54.5 | 12% | 0.115 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 173.3 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | L364 D370 I371 M372 T411 V412 | L364-V368 WeakPolarHBondContact O-CB 3.38Å; L364-V368 WeakPolarHBondContact O-CG2 3.5Å; L364-V368 PolarHBondContact O-N 2.97Å; V368-D370 PolarHBondContact O-N 3.07Å; V368-I371 PolarHBondContact O-N 2.75Å; V368-M372 HydrophobicContact CG1-CG 4.17Å; V368-M372 VanDerWaalsContact O-CB 3.29Å; V368-M372 WeakPolarHBondContact O-CB 3.43Å; V368-M372 VanDerWaalsContact O-CG 3.26Å; V368-M372 WeakPolarHBondContact O-CG 3.33Å; V368-M372 PolarHBondContact O-N 2.93Å; V368-T411 HydrophobicContact CG1-CG2 3.93Å; V368-V412 HydrophobicContact CG1-CG2 4.05Å |
| 369 | R | 96.5 | Very high | 95.8 | Very high | 57 Ų | 57 | 57.6 Ų | 57.6 | 22% | 0.215 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.9 | -38.7 | 179.4 | -167.5 | 175.6 | 67.3 | 154.8 | -1.7 | 112.4 | E130 V365 L366 F367 K373 T408 V412 | E130-R369 IonicContact OE1-CZ 3.15Å; E130-R369 IonicContact OE1-NH1 2.75Å; E130-R369 PolarHBondContact OE1-NH1 3.26Å; E130-R369 IonicContact OE2-NH1 2.76Å; V365-R369 VanDerWaalsContact O-CB 3.26Å; V365-R369 WeakPolarHBondContact O-CB 3.43Å; V365-R369 PolarHBondContact O-N 2.83Å; L366-R369 VanDerWaalsContact CD2-NH2 3.27Å; L366-R369 PolarHBondContact O-N 2.91Å; F367-R369 PolarHBondContact O-N 3.21Å; R369-K373 HydrophobicContact CG-CD 4.39Å; R369-K373 WeakPolarHBondContact O-CB 3.46Å; R369-K373 VanDerWaalsContact O-CG 3.28Å; R369-K373 WeakPolarHBondContact O-CG 3.47Å; R369-K373 PolarHBondContact O-N 2.68Å; R369-K373 VanDerWaalsContact O-N 3.07Å; R369-T408 HydrophobicContact CG-CG2 3.96Å; R369-V412 HydrophobicContact CB-CG2 3.8Å; R369-V412 HydrophobicContact CG-CG2 4.25Å |
| 370 | D | 95.6 | Very high | 95.5 | Very high | 73 Ų | 73 | 54.2 Ų | 54.2 | 39% | 0.39 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -71 | -48.7 | 177.2 | 175.2 | 65.1 | 0 | 0 | 0 | 112.3 | L366 F367 V368 M372 K373 K374 | L366-D370 WeakPolarHBondContact O-CB 3.34Å; L366-D370 PolarHBondContact O-N 3.42Å; F367-D370 PolarHBondContact O-N 2.85Å; V368-D370 PolarHBondContact O-N 3.07Å; D370-M372 PolarHBondContact O-N 2.88Å; D370-K373 PolarHBondContact O-N 3.02Å; D370-K374 VanDerWaalsContact CG-NZ 3.26Å; D370-K374 WeakPolarHBondContact O-CB 3.25Å; D370-K374 WeakPolarHBondContact O-CG 3.25Å; D370-K374 PolarHBondContact O-N 2.77Å; D370-K374 WeakPolarHBondContact OD1-CE 3.2Å; D370-K374 IonicContact OD1-NZ 3.48Å; D370-K374 PolarHBondContact OD1-NZ 3.45Å; D370-K374 VanDerWaalsContact OD1-NZ 3.09Å; D370-K374 WeakPolarHBondContact OD2-CE 3.48Å; D370-K374 IonicContact OD2-NZ 2.73Å; D370-K374 PolarHBondContact OD2-NZ 3.39Å |
| 371 | I | 97.1 | Very high | 95.3 | Very high | 73 Ų | 73 | 52.2 Ų | 52.2 | 37% | 0.374 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -57.7 | -49.3 | 175 | -72.3 | 175.1 | 0 | 0 | 0 | 110.4 | F367 V368 K373 K374 V375 | F367-I371 HydrophobicContact CD1-CD1 3.91Å; F367-I371 HydrophobicContact CD2-CD1 4.23Å; F367-I371 HydrophobicContact CE1-CD1 3.49Å; F367-I371 VanDerWaalsContact CE1-CD1 3.49Å; F367-I371 HydrophobicContact CE2-CD1 3.84Å; F367-I371 HydrophobicContact CG-CD1 4.28Å; F367-I371 HydrophobicContact CZ-CD1 3.46Å; F367-I371 VanDerWaalsContact CZ-CD1 3.46Å; F367-I371 WeakPolarHBondContact O-CG1 3.5Å; F367-I371 PolarHBondContact O-N 3.36Å; V368-I371 PolarHBondContact O-N 2.75Å; I371-K373 PolarHBondContact O-N 3.16Å; I371-K374 CarbonylContact O-C 3.6Å; I371-K374 WeakPolarHBondContact O-CB 3.37Å; I371-K374 PolarHBondContact O-N 3.18Å; I371-K374 VanDerWaalsContact O-N 3.11Å; I371-V375 HydrophobicContact CG2-CG2 4.39Å; I371-V375 WeakPolarHBondContact O-CG2 3.36Å; I371-V375 PolarHBondContact O-N 2.92Å |
| 372 | M | 96.8 | Very high | 95 | Very high | 37 Ų | 37 | 60.8 Ų | 60.8 | 18% | 0.182 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.9 | -39 | -177.7 | -68.3 | -53.6 | -66.7 | 0 | 0 | 112 | V368 D370 K374 V375 T376 I407 T408 T411 | V368-M372 HydrophobicContact CG1-CG 4.17Å; V368-M372 VanDerWaalsContact O-CB 3.29Å; V368-M372 WeakPolarHBondContact O-CB 3.43Å; V368-M372 VanDerWaalsContact O-CG 3.26Å; V368-M372 WeakPolarHBondContact O-CG 3.33Å; V368-M372 PolarHBondContact O-N 2.93Å; D370-M372 PolarHBondContact O-N 2.88Å; M372-K374 VanDerWaalsContact C-N 3.31Å; M372-K374 PolarHBondContact O-N 3.48Å; M372-V375 PolarHBondContact O-N 3.14Å; M372-T376 HydrophobicContact CE-CG2 3.95Å; M372-T376 WeakPolarHBondContact O-CB 3.31Å; M372-T376 WeakPolarHBondContact O-CG2 3.4Å; M372-T376 PolarHBondContact O-N 3.33Å; M372-T376 PolarHBondContact O-OG1 3.16Å; M372-I407 HydrophobicContact CE-CG2 3.86Å; M372-T408 HydrophobicContact CB-CG2 4.08Å; M372-T411 HydrophobicContact CE-CG2 4.24Å; M372-T411 HydrophobicContact CG-CG2 3.8Å; M372-T411 HydrophobicContact SD-CG2 4.05Å |
| 373 | K | 94.1 | Very high | 94.8 | Very high | 47 Ų | 47 | 65.5 Ų | 65.5 | 20% | 0.204 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.3 | -35.4 | 172.3 | -73.3 | -179.7 | -176.9 | -172.5 | 0 | 112.3 | R369 D370 I371 V375 I377 Y404 T408 Y409 | R369-K373 HydrophobicContact CG-CD 4.39Å; R369-K373 WeakPolarHBondContact O-CB 3.46Å; R369-K373 VanDerWaalsContact O-CG 3.28Å; R369-K373 WeakPolarHBondContact O-CG 3.47Å; R369-K373 PolarHBondContact O-N 2.68Å; R369-K373 VanDerWaalsContact O-N 3.07Å; D370-K373 PolarHBondContact O-N 3.02Å; I371-K373 PolarHBondContact O-N 3.16Å; K373-V375 VanDerWaalsContact C-N 3.35Å; K373-I377 HydrophobicContact CB-CD1 4.2Å; K373-I377 WeakPolarHBondContact O-CB 3.33Å; K373-I377 WeakPolarHBondContact O-CD1 3.15Å; K373-I377 WeakPolarHBondContact O-CG1 3.34Å; K373-I377 PolarHBondContact O-N 3.24Å; K373-Y404 HydrophobicContact CG-CD2 4.46Å; K373-T408 HydrophobicContact CD-CG2 4.39Å; K373-T408 HydrophobicContact CG-CG2 3.73Å; K373-Y409 PolarHBondContact NZ-OH 3.14Å |
| 374 | K | 93.7 | Very high | 94.4 | Very high | 135 Ų | 135 | 65 Ų | 65 | 59% | 0.587 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -70.2 | -25.9 | 174.7 | -74.1 | 167.8 | 177.8 | 167.3 | 0 | 113.7 | D370 I371 M372 P378 | D370-K374 VanDerWaalsContact CG-NZ 3.26Å; D370-K374 WeakPolarHBondContact O-CB 3.25Å; D370-K374 WeakPolarHBondContact O-CG 3.25Å; D370-K374 PolarHBondContact O-N 2.77Å; D370-K374 WeakPolarHBondContact OD1-CE 3.2Å; D370-K374 IonicContact OD1-NZ 3.48Å; D370-K374 PolarHBondContact OD1-NZ 3.45Å; D370-K374 VanDerWaalsContact OD1-NZ 3.09Å; D370-K374 WeakPolarHBondContact OD2-CE 3.48Å; D370-K374 IonicContact OD2-NZ 2.73Å; D370-K374 PolarHBondContact OD2-NZ 3.39Å; I371-K374 CarbonylContact O-C 3.6Å; I371-K374 WeakPolarHBondContact O-CB 3.37Å; I371-K374 PolarHBondContact O-N 3.18Å; I371-K374 VanDerWaalsContact O-N 3.11Å; M372-K374 VanDerWaalsContact C-N 3.31Å; M372-K374 PolarHBondContact O-N 3.48Å; K374-P378 WeakPolarHBondContact O-CD 3.47Å; K374-P378 WeakPolarHBondContact O-CG 3.1Å |
| 375 | V | 95 | Very high | 94 | Very high | 79 Ų | 79 | 66 Ų | 66 | 48% | 0.479 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -89.6 | -49.2 | 177.6 | 172.2 | 0 | 0 | 0 | 0 | 112 | I371 M372 K373 L379 | I371-V375 HydrophobicContact CG2-CG2 4.39Å; I371-V375 WeakPolarHBondContact O-CG2 3.36Å; I371-V375 PolarHBondContact O-N 2.92Å; M372-V375 PolarHBondContact O-N 3.14Å; K373-V375 VanDerWaalsContact C-N 3.35Å; V375-L379 VanDerWaalsContact O-CB 3.25Å; V375-L379 WeakPolarHBondContact O-CB 3.28Å; V375-L379 PolarHBondContact O-N 3.37Å |
| 376 | T | 94.4 | Very high | 93.4 | Very high | 5 Ų | 5 | 67 Ų | 67 | 3% | 0.031 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -74.6 | -34.5 | -169.5 | 59.4 | 0 | 0 | 0 | 0 | 113.3 | M372 L379 A380 Y404 I407 T408 | M372-T376 HydrophobicContact CE-CG2 3.95Å; M372-T376 WeakPolarHBondContact O-CB 3.31Å; M372-T376 WeakPolarHBondContact O-CG2 3.4Å; M372-T376 PolarHBondContact O-N 3.33Å; M372-T376 PolarHBondContact O-OG1 3.16Å; T376-L379 PolarHBondContact O-N 3.38Å; T376-A380 WeakPolarHBondContact O-CB 3.33Å; T376-A380 PolarHBondContact O-N 3.21Å; T376-Y404 WeakPolarHBondContact OG1-CB 3.48Å; T376-I407 HydrophobicContact CG2-CB 3.9Å; T376-I407 HydrophobicContact CG2-CG2 3.58Å; T376-T408 PolarHBondContact OG1-OG1 3.25Å |
| 377 | I | 92.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.01 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.2 | -51.1 | -178.9 | -62.8 | 167.3 | 0 | 0 | 0 | 111.3 | K373 L379 A380 C381 L391 R395 V400 Y404 | K373-I377 HydrophobicContact CB-CD1 4.2Å; K373-I377 WeakPolarHBondContact O-CB 3.33Å; K373-I377 WeakPolarHBondContact O-CD1 3.15Å; K373-I377 WeakPolarHBondContact O-CG1 3.34Å; K373-I377 PolarHBondContact O-N 3.24Å; I377-L379 VanDerWaalsContact C-N 3.29Å; I377-L379 PolarHBondContact O-N 3.17Å; I377-A380 PolarHBondContact O-N 2.93Å; I377-C381 PolarHBondContact O-N 3.08Å; I377-L391 HydrophobicContact CG2-CD2 4.01Å; I377-R395 HydrophobicContact CD1-CG 4.29Å; I377-V400 HydrophobicContact CG2-CG1 4.09Å; I377-Y404 HydrophobicContact CD1-CD1 4.19Å; I377-Y404 HydrophobicContact CD1-CD2 4.15Å; I377-Y404 HydrophobicContact CD1-CG 4.06Å; I377-Y404 HydrophobicContact CG1-CD1 3.78Å; I377-Y404 HydrophobicContact CG1-CD2 4.06Å; I377-Y404 HydrophobicContact CG1-CG 3.55Å |
| 378 | P | 91.9 | Very high | 91.7 | Very high | 61 Ų | 61 | 63.9 Ų | 63.9 | 40% | 0.396 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.6 | -32.5 | 174.8 | -23.2 | 36.3 | 0 | 0 | 0 | 113.2 | K374 K382 | K374-P378 WeakPolarHBondContact O-CD 3.47Å; K374-P378 WeakPolarHBondContact O-CG 3.1Å; P378-K382 WeakPolarHBondContact O-CB 3.22Å; P378-K382 PolarHBondContact O-N 2.98Å |
| 379 | L | 93 | Very high | 90.7 | Very high | 104 Ų | 104 | 71.9 Ų | 71.9 | 55% | 0.545 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 174.8 | -179.2 | 60.8 | 0 | 0 | 0 | 111.6 | V375 T376 I377 K382 L383 | V375-L379 VanDerWaalsContact O-CB 3.25Å; V375-L379 WeakPolarHBondContact O-CB 3.28Å; V375-L379 PolarHBondContact O-N 3.37Å; T376-L379 PolarHBondContact O-N 3.38Å; I377-L379 VanDerWaalsContact C-N 3.29Å; I377-L379 PolarHBondContact O-N 3.17Å; L379-K382 PolarHBondContact O-N 3.23Å; L379-L383 WeakPolarHBondContact O-CB 3.32Å; L379-L383 PolarHBondContact O-N 3.04Å |
| 380 | A | 92.1 | Very high | 89.9 | Confident | 6 Ų | 6 | 72.9 Ų | 72.9 | 5% | 0.05 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -67.4 | -44.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T376 I377 K382 L383 F384 V400 | T376-A380 WeakPolarHBondContact O-CB 3.33Å; T376-A380 PolarHBondContact O-N 3.21Å; I377-A380 PolarHBondContact O-N 2.93Å; A380-K382 VanDerWaalsContact C-N 3.26Å; A380-K382 PolarHBondContact O-N 2.87Å; A380-L383 PolarHBondContact O-N 3.29Å; A380-L383 VanDerWaalsContact O-N 3.14Å; A380-F384 VanDerWaalsContact O-CD2 3.31Å; A380-F384 WeakPolarHBondContact O-CD2 3.25Å; A380-F384 PolarHBondContact O-N 3.37Å; A380-V400 HydrophobicContact CB-CB 4.29Å; A380-V400 HydrophobicContact CB-CG1 4.31Å; A380-V400 HydrophobicContact CB-CG2 3.99Å |
| 381 | C | 91.2 | Very high | 89.1 | Confident | 5 Ų | 5 | 73.2 Ų | 73.2 | 3% | 0.034 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -49.5 | -48.8 | 170.7 | -80.3 | 0 | 0 | 0 | 0 | 111.3 | I377 G385 I386 C388 | I377-C381 PolarHBondContact O-N 3.08Å; C381-G385 CarbonylContact O-C 3.58Å; C381-G385 PolarHBondContact O-N 2.97Å; C381-I386 PolarHBondContact O-N 3.21Å; C381-C388 HydrophobicContact CB-CB 3.59Å; C381-C388 WeakPolarHBondContact CB-SG 3.2Å; C381-C388 WeakPolarHBondContact SG-CB 3.4Å; C381-C388 CovalentContact SG-SG 2.05Å; C381-C388 PolarHBondContact SG-SG 3.33Å |
| 382 | K | 91.7 | Very high | 88.1 | Confident | 180 Ų | 180 | 79 Ų | 79 | 78% | 0.783 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -67.7 | -38.5 | -179.7 | -175.7 | 177.8 | 178.2 | -178.2 | 0 | 113 | P378 L379 A380 | P378-K382 WeakPolarHBondContact O-CB 3.22Å; P378-K382 PolarHBondContact O-N 2.98Å; L379-K382 PolarHBondContact O-N 3.23Å; A380-K382 VanDerWaalsContact C-N 3.26Å; A380-K382 PolarHBondContact O-N 2.87Å |
| 383 | L | 92.5 | Very high | 87.2 | Confident | 130 Ų | 130 | 82.8 Ų | 82.8 | 68% | 0.681 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -69.1 | -36.6 | -178.6 | -175 | 62.4 | 0 | 0 | 0 | 112.4 | L379 A380 | L379-L383 WeakPolarHBondContact O-CB 3.32Å; L379-L383 PolarHBondContact O-N 3.04Å; A380-L383 PolarHBondContact O-N 3.29Å; A380-L383 VanDerWaalsContact O-N 3.14Å |
| 384 | F | 90.1 | Very high | 86.5 | Confident | 99 Ų | 99 | 80.7 Ų | 80.7 | 43% | 0.434 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -102.6 | 6 | -177.9 | -61.3 | -71.5 | 0 | 0 | 0 | 114.1 | A380 I386 E399 P403 | A380-F384 VanDerWaalsContact O-CD2 3.31Å; A380-F384 WeakPolarHBondContact O-CD2 3.25Å; A380-F384 PolarHBondContact O-N 3.37Å; F384-I386 VanDerWaalsContact C-N 3.3Å; F384-I386 HydrophobicContact CB-CD1 4.25Å; F384-I386 HydrophobicContact CB-CG1 4.1Å; F384-I386 PolarHBondContact O-N 3.38Å; F384-E399 HydrophobicContact CB-CB 4.05Å; F384-E399 HydrophobicContact CD1-CB 4.1Å; F384-E399 HydrophobicContact CD1-CG 4.42Å; F384-E399 HydrophobicContact CD2-CB 3.84Å; F384-E399 WeakPolarHBondContact CD2-O 3.47Å; F384-E399 HydrophobicContact CE2-CB 4.32Å; F384-E399 WeakPolarHBondContact CE2-O 3.14Å; F384-E399 HydrophobicContact CG-CB 3.73Å; F384-E399 HydrophobicContact CG-CG 4.45Å; F384-P403 HydrophobicContact CE2-CG 4.27Å |
| 385 | G | 87.4 | Confident | 85.9 | Confident | 65 Ų | 65 | 78.3 Ų | 78.3 | 67% | 0.67 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 18.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | C381 | C381-G385 CarbonylContact O-C 3.58Å; C381-G385 PolarHBondContact O-N 2.97Å |
| 386 | I | 85.1 | Confident | 85.1 | Confident | 22 Ų | 22 | 78.7 Ų | 78.7 | 11% | 0.113 | 40% | 0.401 | C | S | . | . | trans | -83.9 | 128.2 | -172.4 | -57.9 | -170.3 | 0 | 0 | 0 | 110.6 | C381 F384 C388 H397 E399 V400 | C381-I386 PolarHBondContact O-N 3.21Å; F384-I386 VanDerWaalsContact C-N 3.3Å; F384-I386 HydrophobicContact CB-CD1 4.25Å; F384-I386 HydrophobicContact CB-CG1 4.1Å; F384-I386 PolarHBondContact O-N 3.38Å; I386-C388 PolarHBondContact O-N 3.47Å; I386-H397 HydrophobicContact CD1-CB 3.62Å; I386-E399 HydrophobicContact CD1-CB 4.16Å; I386-V400 HydrophobicContact CD1-CG2 4.07Å | ||
| 387 | P | 82 | Confident | 84.5 | Confident | 99 Ų | 99 | 82.1 Ų | 82.1 | 64% | 0.643 | 42% | 0.416 | S | S | * | . | trans | -61.6 | 104 | 179.1 | -24.6 | 35 | 0 | 0 | 0 | 112.9 | H389 | P387-H389 PolarHBondContact O-N 3.34Š| ||
| 388 | C | 76.3 | Confident | 84.1 | Confident | 44 Ų | 44 | 85.2 Ų | 85.2 | 30% | 0.297 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 27.6 | -173.8 | -132.6 | 0 | 0 | 0 | 0 | 113.9 | C381 I386 | C381-C388 HydrophobicContact CB-CB 3.59Å; C381-C388 WeakPolarHBondContact CB-SG 3.2Å; C381-C388 WeakPolarHBondContact SG-CB 3.4Å; C381-C388 CovalentContact SG-SG 2.05Å; C381-C388 PolarHBondContact SG-SG 3.33Å; I386-C388 PolarHBondContact O-N 3.47Å |
| 389 | H | 75.5 | Confident | 83.8 | Confident | 186 Ų | 186 | 85.8 Ų | 85.8 | 86% | 0.861 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -39.3 | -175.4 | -70.2 | -63.5 | 0 | 0 | 0 | 113.2 | P387 | P387-H389 PolarHBondContact O-N 3.34Š|
| 390 | D | 80.2 | Confident | 83.6 | Confident | 79 Ų | 79 | 80.9 Ų | 80.9 | 42% | 0.422 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -110.5 | 112.1 | 163.9 | -175.7 | 0.1 | 0 | 0 | 0 | 109.5 | R392 Q393 A394 | D390-R392 PolarHBondContact O-N 3.37Å; D390-R392 WeakPolarHBondContact OD1-CB 3.45Å; D390-R392 PolarHBondContact OD1-N 2.89Å; D390-Q393 HydrophobicContact CB-CB 4.16Å; D390-Q393 PolarHBondContact O-N 3.48Å; D390-A394 WeakPolarHBondContact O-CB 3.38Å; D390-A394 PolarHBondContact O-N 2.99Å |
| 391 | L | 78.4 | Confident | 83.5 | Confident | 80 Ų | 80 | 81.1 Ų | 81.1 | 42% | 0.419 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -12.3 | 176.6 | -68.1 | 175 | 0 | 0 | 0 | 113.5 | I377 R395 | I377-L391 HydrophobicContact CG2-CD2 4.01Å; L391-R395 WeakPolarHBondContact O-CD 3.34Å; L391-R395 WeakPolarHBondContact O-CG 3.37Å; L391-R395 PolarHBondContact O-NE 2.98Å; L391-R395 VanDerWaalsContact O-NE 3.15Å |
| 392 | R | 76.1 | Confident | 83.4 | Confident | 193 Ų | 193 | 81.8 Ų | 81.8 | 73% | 0.728 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -54.4 | 170.7 | -62.8 | -179.4 | 175.6 | -176.4 | -0.8 | 110.5 | D390 A394 R395 Q396 | D390-R392 PolarHBondContact O-N 3.37Å; D390-R392 WeakPolarHBondContact OD1-CB 3.45Å; D390-R392 PolarHBondContact OD1-N 2.89Å; R392-A394 VanDerWaalsContact C-N 3.31Å; R392-A394 PolarHBondContact O-N 3.16Å; R392-R395 PolarHBondContact O-N 2.81Å; R392-Q396 PolarHBondContact O-N 2.85Å |
| 393 | Q | 78 | Confident | 83.5 | Confident | 118 Ų | 118 | 75.1 Ų | 75.1 | 55% | 0.551 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -59.2 | -43.3 | 177 | -168.2 | 176.7 | 15.2 | 0 | 0 | 111.2 | D390 R395 Q396 H397 | D390-Q393 HydrophobicContact CB-CB 4.16Å; D390-Q393 PolarHBondContact O-N 3.48Å; Q393-R395 PolarHBondContact O-N 3.25Å; Q393-R395 VanDerWaalsContact O-N 3.16Å; Q393-Q396 WeakPolarHBondContact O-CB 3.26Å; Q393-Q396 PolarHBondContact O-N 3.21Å; Q393-H397 PolarHBondContact O-CD2 2.96Å |
| 394 | A | 79.8 | Confident | 83.5 | Confident | 2 Ų | 2 | 69.7 Ų | 69.7 | 2% | 0.017 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -56.4 | -32.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D390 R392 V400 | D390-A394 WeakPolarHBondContact O-CB 3.38Å; D390-A394 PolarHBondContact O-N 2.99Å; R392-A394 VanDerWaalsContact C-N 3.31Å; R392-A394 PolarHBondContact O-N 3.16Å; A394-V400 WeakPolarHBondContact O-CB 3.25Å; A394-V400 VanDerWaalsContact O-CG1 3.28Å; A394-V400 WeakPolarHBondContact O-CG1 3.35Å |
| 395 | R | 81.2 | Confident | 83.6 | Confident | 86 Ų | 86 | 65.6 Ų | 65.6 | 33% | 0.325 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -79.8 | -12.7 | 177.3 | -69.7 | 169 | -164.1 | -168.4 | -2.4 | 114.3 | I377 L391 R392 Q393 H397 Y404 | I377-R395 HydrophobicContact CD1-CG 4.29Å; L391-R395 WeakPolarHBondContact O-CD 3.34Å; L391-R395 WeakPolarHBondContact O-CG 3.37Å; L391-R395 PolarHBondContact O-NE 2.98Å; L391-R395 VanDerWaalsContact O-NE 3.15Å; R392-R395 PolarHBondContact O-N 2.81Å; Q393-R395 PolarHBondContact O-N 3.25Å; Q393-R395 VanDerWaalsContact O-N 3.16Å; R395-H397 VanDerWaalsContact C-N 3.33Å; R395-Y404 HydrophobicContact CB-CE1 4.08Å; R395-Y404 HydrophobicContact CG-CD1 4.3Å; R395-Y404 HydrophobicContact CG-CE1 3.72Å |
| 396 | Q | 78.1 | Confident | 84 | Confident | 87 Ų | 87 | 64 Ų | 64 | 41% | 0.407 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -81 | -18.6 | 174.6 | -67.1 | 170.4 | -40.1 | 0 | 0 | 111.6 | L102 R392 Q393 | L102-Q396 PolarHBondContact O-NE2 3.03Å; R392-Q396 PolarHBondContact O-N 2.85Å; Q393-Q396 WeakPolarHBondContact O-CB 3.26Å; Q393-Q396 PolarHBondContact O-N 3.21Å |
| 397 | H | 81.4 | Confident | 84.6 | Confident | 76 Ų | 76 | 66.6 Ų | 66.6 | 35% | 0.352 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -71.9 | 125.9 | 170.7 | -72.6 | -86 | 0 | 0 | 0 | 110.8 | I386 Q393 R395 E399 V400 E401 | I386-H397 HydrophobicContact CD1-CB 3.62Å; Q393-H397 PolarHBondContact O-CD2 2.96Å; R395-H397 VanDerWaalsContact C-N 3.33Å; H397-E399 PolarHBondContact O-N 3.43Å; H397-V400 PolarHBondContact O-N 3.4Å; H397-E401 PolarHBondContact O-N 3.08Å |
| 398 | M | 84.3 | Confident | 85.3 | Confident | 67 Ų | 67 | 61.9 Ų | 61.9 | 33% | 0.33 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.4 | -37.5 | -178.8 | -179.6 | -176 | 68.1 | 0 | 0 | 112.2 | R305 V400 E401 L402 | R305-M398 PolarHBondContact NH1-SD 2.95Å; M398-V400 PolarHBondContact O-N 3.27Å; M398-E401 PolarHBondContact O-N 2.97Å; M398-L402 HydrophobicContact CG-CD1 3.35Å; M398-L402 HydrophobicContact CG-CG 3.97Å; M398-L402 WeakPolarHBondContact O-CG 3.42Å; M398-L402 PolarHBondContact O-N 3.29Å; M398-L402 HydrophobicContact SD-CD1 4.14Å |
| 399 | E | 85.6 | Confident | 86.3 | Confident | 74 Ų | 74 | 60.1 Ų | 60.1 | 35% | 0.346 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.6 | -24.4 | 179.6 | -56.9 | 72.6 | -158.5 | 0 | 0 | 112.1 | F384 I386 H397 P403 | F384-E399 HydrophobicContact CB-CB 4.05Å; F384-E399 HydrophobicContact CD1-CB 4.1Å; F384-E399 HydrophobicContact CD1-CG 4.42Å; F384-E399 HydrophobicContact CD2-CB 3.84Å; F384-E399 WeakPolarHBondContact CD2-O 3.47Å; F384-E399 HydrophobicContact CE2-CB 4.32Å; F384-E399 WeakPolarHBondContact CE2-O 3.14Å; F384-E399 HydrophobicContact CG-CB 3.73Å; F384-E399 HydrophobicContact CG-CG 4.45Å; I386-E399 HydrophobicContact CD1-CB 4.16Å; H397-E399 PolarHBondContact O-N 3.43Å; E399-P403 VanDerWaalsContact O-CD 3.29Å; E399-P403 WeakPolarHBondContact O-CD 3.21Å; E399-P403 VanDerWaalsContact O-CG 3.3Å; E399-P403 WeakPolarHBondContact O-CG 3.11Å |
| 400 | V | 89.3 | Confident | 87.4 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -98.8 | -43.2 | 174.9 | 169.1 | 0 | 0 | 0 | 0 | 111.1 | I377 A380 I386 A394 H397 M398 Y404 | I377-V400 HydrophobicContact CG2-CG1 4.09Å; A380-V400 HydrophobicContact CB-CB 4.29Å; A380-V400 HydrophobicContact CB-CG1 4.31Å; A380-V400 HydrophobicContact CB-CG2 3.99Å; I386-V400 HydrophobicContact CD1-CG2 4.07Å; A394-V400 WeakPolarHBondContact O-CB 3.25Å; A394-V400 VanDerWaalsContact O-CG1 3.28Å; A394-V400 WeakPolarHBondContact O-CG1 3.35Å; H397-V400 PolarHBondContact O-N 3.4Å; M398-V400 PolarHBondContact O-N 3.27Å; V400-Y404 HydrophobicContact CG1-CD1 4.19Å; V400-Y404 WeakPolarHBondContact O-CB 3.34Å; V400-Y404 VanDerWaalsContact O-CD1 3.26Å; V400-Y404 WeakPolarHBondContact O-CD1 3.28Å; V400-Y404 PolarHBondContact O-N 3.29Å |
| 401 | E | 88.4 | Confident | 88.2 | Confident | 12 Ų | 12 | 50.2 Ų | 50.2 | 6% | 0.056 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.3 | -54.2 | -175.4 | -169.4 | 175 | -160.7 | 0 | 0 | 112.5 | H397 M398 Y404 R405 | H397-E401 PolarHBondContact O-N 3.08Å; M398-E401 PolarHBondContact O-N 2.97Å; E401-Y404 HydrophobicContact CB-CE1 4.31Å; E401-Y404 HydrophobicContact CG-CE1 4Å; E401-Y404 PolarHBondContact O-N 3.3Å; E401-R405 HydrophobicContact CG-CG 4.25Å; E401-R405 WeakPolarHBondContact O-CB 3.21Å; E401-R405 WeakPolarHBondContact O-CG 3.41Å; E401-R405 PolarHBondContact O-N 2.95Å; E401-R405 IonicContact OE1-CZ 2.74Å; E401-R405 IonicContact OE1-NE 2.66Å; E401-R405 PolarHBondContact OE1-NE 3.28Å; E401-R405 IonicContact OE1-NH2 3.2Å; E401-R405 PolarHBondContact OE1-NH2 2.9Å |
| 402 | L | 90.5 | Very high | 89.2 | Confident | 19 Ų | 19 | 46.6 Ų | 46.6 | 10% | 0.099 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.5 | -45.2 | -170.1 | -49.3 | 174.1 | 0 | 0 | 0 | 111.4 | F296 R305 A309 M398 Y406 | F296-L402 HydrophobicContact CD1-CD1 4.08Å; F296-L402 HydrophobicContact CD1-CD2 4.43Å; F296-L402 HydrophobicContact CD2-CD1 3.58Å; F296-L402 HydrophobicContact CE1-CD1 4.13Å; F296-L402 HydrophobicContact CE1-CD2 3.88Å; F296-L402 HydrophobicContact CE2-CB 4.37Å; F296-L402 HydrophobicContact CE2-CD1 3.63Å; F296-L402 HydrophobicContact CE2-CD2 4.44Å; F296-L402 HydrophobicContact CE2-CG 4.37Å; F296-L402 HydrophobicContact CG-CD1 3.85Å; F296-L402 HydrophobicContact CZ-CB 4.45Å; F296-L402 HydrophobicContact CZ-CD1 3.92Å; F296-L402 HydrophobicContact CZ-CD2 3.89Å; F296-L402 HydrophobicContact CZ-CG 4.31Å; R305-L402 HydrophobicContact CB-CD2 4.02Å; R305-L402 WeakPolarHBondContact O-CD2 3.35Å; A309-L402 HydrophobicContact CB-CB 4.23Å; A309-L402 HydrophobicContact CB-CD2 3.96Å; M398-L402 HydrophobicContact CG-CD1 3.35Å; M398-L402 HydrophobicContact CG-CG 3.97Å; M398-L402 WeakPolarHBondContact O-CG 3.42Å; M398-L402 PolarHBondContact O-N 3.29Å; M398-L402 HydrophobicContact SD-CD1 4.14Å; L402-Y406 VanDerWaalsContact O-CB 3.25Å; L402-Y406 WeakPolarHBondContact O-CB 3.4Å; L402-Y406 PolarHBondContact O-N 3.29Å |
| 403 | P | 92.3 | Very high | 90.2 | Very high | 40 Ų | 40 | 37.4 Ų | 37.4 | 26% | 0.26 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -67.4 | -39.3 | 175.1 | -23.4 | 37.9 | 0 | 0 | 0 | 113.2 | F384 E399 I407 | F384-P403 HydrophobicContact CE2-CG 4.27Å; E399-P403 VanDerWaalsContact O-CD 3.29Å; E399-P403 WeakPolarHBondContact O-CD 3.21Å; E399-P403 VanDerWaalsContact O-CG 3.3Å; E399-P403 WeakPolarHBondContact O-CG 3.11Å; P403-I407 WeakPolarHBondContact O-CB 3.19Å; P403-I407 WeakPolarHBondContact O-CD1 3.36Å; P403-I407 VanDerWaalsContact O-CG1 3.25Å; P403-I407 WeakPolarHBondContact O-CG1 3.4Å; P403-I407 PolarHBondContact O-N 3.32Å |
| 404 | Y | 92.9 | Very high | 91.2 | Very high | 15 Ų | 15 | 35.2 Ų | 35.2 | 6% | 0.059 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.1 | -44.7 | 178.6 | 99.8 | -118.3 | 0 | 0 | 0 | 110.9 | K373 T376 I377 R395 V400 E401 T408 | K373-Y404 HydrophobicContact CG-CD2 4.46Å; T376-Y404 WeakPolarHBondContact OG1-CB 3.48Å; I377-Y404 HydrophobicContact CD1-CD1 4.19Å; I377-Y404 HydrophobicContact CD1-CD2 4.15Å; I377-Y404 HydrophobicContact CD1-CG 4.06Å; I377-Y404 HydrophobicContact CG1-CD1 3.78Å; I377-Y404 HydrophobicContact CG1-CD2 4.06Å; I377-Y404 HydrophobicContact CG1-CG 3.55Å; R395-Y404 HydrophobicContact CB-CE1 4.08Å; R395-Y404 HydrophobicContact CG-CD1 4.3Å; R395-Y404 HydrophobicContact CG-CE1 3.72Å; V400-Y404 HydrophobicContact CG1-CD1 4.19Å; V400-Y404 WeakPolarHBondContact O-CB 3.34Å; V400-Y404 VanDerWaalsContact O-CD1 3.26Å; V400-Y404 WeakPolarHBondContact O-CD1 3.28Å; V400-Y404 PolarHBondContact O-N 3.29Å; E401-Y404 HydrophobicContact CB-CE1 4.31Å; E401-Y404 HydrophobicContact CG-CE1 4Å; E401-Y404 PolarHBondContact O-N 3.3Å; Y404-T408 WeakPolarHBondContact O-CB 3.06Å; Y404-T408 PolarHBondContact O-N 2.72Å; Y404-T408 PolarHBondContact O-OG1 2.85Å |
| 405 | R | 93.8 | Very high | 92 | Very high | 13 Ų | 13 | 35.3 Ų | 35.3 | 5% | 0.049 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.9 | -52.8 | 179.5 | -74.4 | -170.5 | -177.5 | -140.4 | 36.3 | 110.6 | G306 D307 A309 E310 E401 I407 T408 Y409 | G306-R405 VanDerWaalsContact C-CZ 3.5Å; G306-R405 WeakPolarHBondContact O-CD 3.36Å; D307-R405 IonicContact OD1-CZ 3.2Å; D307-R405 IonicContact OD1-NH1 2.74Å; D307-R405 PolarHBondContact OD1-NH1 2.92Å; D307-R405 IonicContact OD1-NH2 3.51Å; D307-R405 PolarHBondContact OD1-NH2 2.96Å; A309-R405 HydrophobicContact CB-CB 4.25Å; E310-R405 HydrophobicContact CB-CB 4.32Å; E310-R405 IonicContact OE2-CZ 3.26Å; E310-R405 IonicContact OE2-NE 3.26Å; E310-R405 IonicContact OE2-NH1 2.83Å; E310-R405 PolarHBondContact OE2-NH1 2.91Å; E401-R405 HydrophobicContact CG-CG 4.25Å; E401-R405 WeakPolarHBondContact O-CB 3.21Å; E401-R405 WeakPolarHBondContact O-CG 3.41Å; E401-R405 PolarHBondContact O-N 2.95Å; E401-R405 IonicContact OE1-CZ 2.74Å; E401-R405 IonicContact OE1-NE 2.66Å; E401-R405 PolarHBondContact OE1-NE 3.28Å; E401-R405 IonicContact OE1-NH2 3.2Å; E401-R405 PolarHBondContact OE1-NH2 2.9Å; R405-I407 PolarHBondContact O-N 2.99Å; R405-T408 PolarHBondContact O-N 2.82Å; R405-Y409 WeakPolarHBondContact O-CB 3.31Å; R405-Y409 WeakPolarHBondContact O-CD2 3.5Å; R405-Y409 PolarHBondContact O-N 2.72Å |
| 406 | Y | 95.8 | Very high | 92.8 | Very high | 32 Ų | 32 | 31.6 Ų | 31.6 | 13% | 0.125 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -55.9 | -49.6 | -178.6 | -172.7 | -92.1 | 0 | 0 | 0 | 112.7 | I285 H288 L289 A309 L312 L402 G410 | I285-Y406 PolarHBondContact O-OH 3.44Å; H288-Y406 HydrophobicContact CB-CE2 4.06Å; H288-Y406 WeakPolarHBondContact CB-OH 3.32Å; L289-Y406 HydrophobicContact CD2-CD1 3.94Å; L289-Y406 HydrophobicContact CD2-CD2 4.49Å; L289-Y406 HydrophobicContact CD2-CE1 3.59Å; L289-Y406 HydrophobicContact CD2-CE2 4.18Å; L289-Y406 HydrophobicContact CD2-CG 4.38Å; L289-Y406 HydrophobicContact CG-CE1 4.04Å; A309-Y406 WeakPolarHBondContact O-CA 3.49Å; L312-Y406 HydrophobicContact CB-CD2 4.39Å; L312-Y406 HydrophobicContact CB-CE2 4.15Å; L402-Y406 VanDerWaalsContact O-CB 3.25Å; L402-Y406 WeakPolarHBondContact O-CB 3.4Å; L402-Y406 PolarHBondContact O-N 3.29Å; Y406-G410 PolarHBondContact O-N 3.5Å |
| 407 | I | 96.8 | Very high | 93.6 | Very high | 76 Ų | 76 | 27.8 Ų | 27.8 | 39% | 0.39 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -71.9 | -41.1 | -177.4 | -60.4 | 168.4 | 0 | 0 | 0 | 111.6 | M372 T376 P403 R405 T411 | M372-I407 HydrophobicContact CE-CG2 3.86Å; T376-I407 HydrophobicContact CG2-CB 3.9Å; T376-I407 HydrophobicContact CG2-CG2 3.58Å; P403-I407 WeakPolarHBondContact O-CB 3.19Å; P403-I407 WeakPolarHBondContact O-CD1 3.36Å; P403-I407 VanDerWaalsContact O-CG1 3.25Å; P403-I407 WeakPolarHBondContact O-CG1 3.4Å; P403-I407 PolarHBondContact O-N 3.32Å; R405-I407 PolarHBondContact O-N 2.99Å; I407-T411 WeakPolarHBondContact O-CB 3.15Å; I407-T411 PolarHBondContact O-N 2.82Å; I407-T411 PolarHBondContact O-OG1 3.04Å |
| 408 | T | 97.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.3 | -54.7 | 177.9 | -62.8 | 0 | 0 | 0 | 0 | 110.8 | R369 M372 K373 T376 Y404 R405 T411 V412 | R369-T408 HydrophobicContact CG-CG2 3.96Å; M372-T408 HydrophobicContact CB-CG2 4.08Å; K373-T408 HydrophobicContact CD-CG2 4.39Å; K373-T408 HydrophobicContact CG-CG2 3.73Å; T376-T408 PolarHBondContact OG1-OG1 3.25Å; Y404-T408 WeakPolarHBondContact O-CB 3.06Å; Y404-T408 PolarHBondContact O-N 2.72Å; Y404-T408 PolarHBondContact O-OG1 2.85Å; R405-T408 PolarHBondContact O-N 2.82Å; T408-T411 PolarHBondContact O-N 3.14Å; T408-V412 WeakPolarHBondContact O-CG2 3.37Å; T408-V412 PolarHBondContact O-N 3.49Å |
| 409 | Y | 97.2 | Very high | 94.9 | Very high | 7 Ų | 7 | 26.1 Ų | 26.1 | 3% | 0.027 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -77.8 | -26.8 | -171.9 | -73.9 | -91.1 | 0 | 0 | 0 | 112.2 | E130 E310 K373 R405 V412 G413 | E130-Y409 WeakPolarHBondContact OE1-CE1 3.12Å; E130-Y409 VanDerWaalsContact OE1-CZ 3.31Å; E130-Y409 PolarHBondContact OE1-OH 3.16Å; E310-Y409 HydrophobicContact CB-CD2 4.44Å; E310-Y409 VanDerWaalsContact CD-CE2 3.4Å; E310-Y409 HydrophobicContact CG-CD1 3.78Å; E310-Y409 HydrophobicContact CG-CD2 3.68Å; E310-Y409 HydrophobicContact CG-CE1 4.02Å; E310-Y409 HydrophobicContact CG-CE2 3.95Å; E310-Y409 HydrophobicContact CG-CG 3.59Å; E310-Y409 WeakPolarHBondContact OE1-CE1 3.35Å; E310-Y409 PolarHBondContact OE1-OH 2.92Å; E310-Y409 VanDerWaalsContact OE2-CE2 3.28Å; E310-Y409 WeakPolarHBondContact OE2-CE2 3.46Å; K373-Y409 PolarHBondContact NZ-OH 3.14Å; R405-Y409 WeakPolarHBondContact O-CB 3.31Å; R405-Y409 WeakPolarHBondContact O-CD2 3.5Å; R405-Y409 PolarHBondContact O-N 2.72Å; Y409-V412 PolarHBondContact O-N 2.79Å; Y409-G413 PolarHBondContact O-N 3.41Å |
| 410 | G | 97.9 | Very high | 95.4 | Very high | 13 Ų | 13 | 22.7 Ų | 22.7 | 13% | 0.134 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.3 | -40.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G313 G317 Y406 G413 F414 | G313-G410 WeakPolarHBondContact O-CA 3.33Å; G317-G410 WeakPolarHBondContact CA-O 3.22Å; Y406-G410 PolarHBondContact O-N 3.5Å; G410-G413 PolarHBondContact O-N 2.88Å; G410-F414 VanDerWaalsContact O-CB 3.32Å; G410-F414 WeakPolarHBondContact O-CB 3.08Å; G410-F414 PolarHBondContact O-N 3.3Å |
| 411 | T | 98.1 | Very high | 95.7 | Very high | 44 Ų | 44 | 23.2 Ų | 23.2 | 27% | 0.27 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -69.5 | -36 | 176.2 | -52.8 | 0 | 0 | 0 | 0 | 112.1 | V368 M372 I407 T408 S415 | V368-T411 HydrophobicContact CG1-CG2 3.93Å; M372-T411 HydrophobicContact CE-CG2 4.24Å; M372-T411 HydrophobicContact CG-CG2 3.8Å; M372-T411 HydrophobicContact SD-CG2 4.05Å; I407-T411 WeakPolarHBondContact O-CB 3.15Å; I407-T411 PolarHBondContact O-N 2.82Å; I407-T411 PolarHBondContact O-OG1 3.04Å; T408-T411 PolarHBondContact O-N 3.14Å; T411-S415 WeakPolarHBondContact O-CB 3.43Å; T411-S415 PolarHBondContact O-N 3.3Å; T411-S415 PolarHBondContact O-OG 3.13Å |
| 412 | V | 97.9 | Very high | 95.9 | Very high | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.024 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.9 | -48.9 | 170.5 | 167.2 | 0 | 0 | 0 | 0 | 111 | V365 V368 R369 T408 Y409 F414 S415 I416 | V365-V412 HydrophobicContact CG1-CG1 3.89Å; V368-V412 HydrophobicContact CG1-CG2 4.05Å; R369-V412 HydrophobicContact CB-CG2 3.8Å; R369-V412 HydrophobicContact CG-CG2 4.25Å; T408-V412 WeakPolarHBondContact O-CG2 3.37Å; T408-V412 PolarHBondContact O-N 3.49Å; Y409-V412 PolarHBondContact O-N 2.79Å; V412-F414 PolarHBondContact O-N 2.94Å; V412-S415 WeakPolarHBondContact O-CA 3.14Å; V412-S415 WeakPolarHBondContact O-CB 3.26Å; V412-S415 PolarHBondContact O-N 3.29Å; V412-S415 VanDerWaalsContact O-N 3.08Å; V412-I416 HydrophobicContact CG1-CD1 3.71Å; V412-I416 HydrophobicContact CG1-CG1 4.5Å; V412-I416 WeakPolarHBondContact O-CD1 3.45Å; V412-I416 WeakPolarHBondContact O-CG1 3.45Å; V412-I416 PolarHBondContact O-N 3.04Å |
| 413 | G | 97.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.1 | -42.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | I318 Y409 G410 S415 I416 T417 | I318-G413 WeakPolarHBondContact CG1-O 3.42Å; Y409-G413 PolarHBondContact O-N 3.41Å; G410-G413 PolarHBondContact O-N 2.88Å; G413-S415 VanDerWaalsContact C-N 3.33Å; G413-I416 PolarHBondContact O-N 3.49Å; G413-T417 PolarHBondContact O-N 2.86Å; G413-T417 PolarHBondContact O-OG1 3.47Å; G413-T417 VanDerWaalsContact O-OG1 3.05Å |
| 414 | F | 98 | Very high | 96.3 | Very high | 72 Ų | 72 | 28.2 Ų | 28.2 | 32% | 0.316 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -61.3 | -42.6 | 172 | -178.4 | -89.5 | 0 | 0 | 0 | 111.2 | G317 C320 G321 A324 G410 V412 I416 T417 F418 | G317-F414 VanDerWaalsContact C-N 3.33Å; G317-F414 VanDerWaalsContact O-CA 3.24Å; G317-F414 WeakPolarHBondContact O-CA 3.2Å; G317-F414 PolarHBondContact O-N 3.21Å; C320-F414 HydrophobicContact CB-CD2 4.13Å; G321-F414 VanDerWaalsContact N-CD2 3.34Å; A324-F414 HydrophobicContact CB-CE2 4.01Å; A324-F414 HydrophobicContact CB-CZ 4.11Å; G410-F414 VanDerWaalsContact O-CB 3.32Å; G410-F414 WeakPolarHBondContact O-CB 3.08Å; G410-F414 PolarHBondContact O-N 3.3Å; V412-F414 PolarHBondContact O-N 2.94Å; F414-I416 VanDerWaalsContact C-N 3.35Å; F414-I416 PolarHBondContact O-N 3.47Å; F414-T417 PolarHBondContact O-N 3.05Å; F414-T417 PolarHBondContact O-OG1 3.47Å; F414-F418 HydrophobicContact CD1-CB 4.49Å; F414-F418 HydrophobicContact CD1-CD1 4.46Å; F414-F418 HydrophobicContact CE1-CB 4.19Å; F414-F418 AromaticContact CE1-CD1 3.51Å; F414-F418 HydrophobicContact CE1-CD1 3.51Å; F414-F418 HydrophobicContact CE1-CE1 4.31Å; F414-F418 HydrophobicContact CE1-CG 4.17Å; F414-F418 HydrophobicContact CZ-CB 4.23Å; F414-F418 AromaticContact CZ-CD1 3.65Å; F414-F418 HydrophobicContact CZ-CD1 3.65Å; F414-F418 HydrophobicContact CZ-CE1 4.3Å; F414-F418 HydrophobicContact CZ-CG 4.07Å; F414-F418 WeakPolarHBondContact O-CB 3.29Å; F414-F418 PolarHBondContact O-N 2.95Å |
| 415 | S | 97.5 | Very high | 96.2 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 3% | 0.028 | 15% | 0.154 | C | C | . | . | I | π-helix | trans | -65.3 | -36.9 | 178.6 | -59.8 | 0 | 0 | 0 | 0 | 112.8 | T411 V412 G413 T417 L419 I420 | T411-S415 WeakPolarHBondContact O-CB 3.43Å; T411-S415 PolarHBondContact O-N 3.3Å; T411-S415 PolarHBondContact O-OG 3.13Å; V412-S415 WeakPolarHBondContact O-CA 3.14Å; V412-S415 WeakPolarHBondContact O-CB 3.26Å; V412-S415 PolarHBondContact O-N 3.29Å; V412-S415 VanDerWaalsContact O-N 3.08Å; G413-S415 VanDerWaalsContact C-N 3.33Å; S415-T417 VanDerWaalsContact C-N 3.33Å; S415-T417 PolarHBondContact O-N 2.92Å; S415-L419 PolarHBondContact O-N 2.88Å; S415-I420 VanDerWaalsContact O-CB 3.31Å; S415-I420 WeakPolarHBondContact O-CB 3.38Å; S415-I420 WeakPolarHBondContact O-CG1 3.38Å; S415-I420 PolarHBondContact O-N 3.16Å |
| 416 | I | 97.2 | Very high | 96.1 | Very high | 8 Ų | 8 | 37.8 Ų | 37.8 | 4% | 0.041 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -62 | -38.4 | 177.7 | -72.5 | 156.3 | 0 | 0 | 0 | 112 | P138 I141 W142 V365 V412 G413 F414 P421 | P138-I416 HydrophobicContact CB-CG1 4.39Å; P138-I416 HydrophobicContact CB-CG2 3.98Å; P138-I416 HydrophobicContact CG-CD1 3.7Å; P138-I416 HydrophobicContact CG-CG1 3.86Å; P138-I416 HydrophobicContact CG-CG2 3.85Å; I141-I416 HydrophobicContact CD1-CG2 3.94Å; W142-I416 HydrophobicContact CZ2-CB 4.43Å; W142-I416 HydrophobicContact CZ2-CG1 4.19Å; W142-I416 HydrophobicContact CZ2-CG2 4.32Å; W142-I416 PolarHBondContact NE1-O 3.37Å; V365-I416 HydrophobicContact CG2-CD1 4.23Å; V365-I416 HydrophobicContact CG2-CG1 3.7Å; V412-I416 HydrophobicContact CG1-CD1 3.71Å; V412-I416 HydrophobicContact CG1-CG1 4.5Å; V412-I416 WeakPolarHBondContact O-CD1 3.45Å; V412-I416 WeakPolarHBondContact O-CG1 3.45Å; V412-I416 PolarHBondContact O-N 3.04Å; G413-I416 PolarHBondContact O-N 3.49Å; F414-I416 VanDerWaalsContact C-N 3.35Å; F414-I416 PolarHBondContact O-N 3.47Å; I416-P421 VanDerWaalsContact O-CD 3.25Å; I416-P421 WeakPolarHBondContact O-CD 3.49Å; I416-P421 WeakPolarHBondContact O-CG 3.48Å |
| 417 | T | 96.2 | Very high | 96 | Very high | 6 Ų | 6 | 39.9 Ų | 39.9 | 4% | 0.037 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -97.2 | -20.1 | -175.7 | 42.6 | 0 | 0 | 0 | 0 | 114.8 | I141 I318 G321 S322 A325 G413 F414 S415 | I141-T417 HydrophobicContact CD1-CG2 3.99Å; I141-T417 HydrophobicContact CG2-CG2 4.47Å; I318-T417 HydrophobicContact CB-CG2 4.36Å; I318-T417 HydrophobicContact CG1-CG2 4.41Å; I318-T417 HydrophobicContact CG2-CG2 3.83Å; I318-T417 PolarHBondContact O-OG1 3.48Å; G321-T417 VanDerWaalsContact CA-OG1 3.28Å; G321-T417 WeakPolarHBondContact CA-OG1 3.38Å; S322-T417 PolarHBondContact N-OG1 3.15Å; A325-T417 WeakPolarHBondContact CB-O 3.47Å; G413-T417 PolarHBondContact O-N 2.86Å; G413-T417 PolarHBondContact O-OG1 3.47Å; G413-T417 VanDerWaalsContact O-OG1 3.05Å; F414-T417 PolarHBondContact O-N 3.05Å; F414-T417 PolarHBondContact O-OG1 3.47Å; S415-T417 VanDerWaalsContact C-N 3.33Å; S415-T417 PolarHBondContact O-N 2.92Å |
| 418 | F | 96.3 | Very high | 95.8 | Very high | 38 Ų | 38 | 38.6 Ų | 38.6 | 17% | 0.167 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -119.8 | -69 | -178.4 | 179.9 | -107.9 | 0 | 0 | 0 | 113.4 | A324 A325 L328 I330 F414 I420 P421 Y422 | A324-F418 HydrophobicContact CB-CB 4.45Å; A324-F418 HydrophobicContact CB-CD2 3.58Å; A324-F418 HydrophobicContact CB-CE2 3.87Å; A324-F418 HydrophobicContact CB-CG 3.93Å; A324-F418 HydrophobicContact CB-CZ 4.47Å; A325-F418 HydrophobicContact CB-CD2 4.22Å; L328-F418 HydrophobicContact CD1-CE2 3.54Å; L328-F418 HydrophobicContact CD1-CZ 3.64Å; I330-F418 HydrophobicContact CD1-CD2 3.93Å; I330-F418 HydrophobicContact CD1-CE2 3.44Å; I330-F418 VanDerWaalsContact CD1-CE2 3.44Å; I330-F418 HydrophobicContact CD1-CZ 4.3Å; F414-F418 HydrophobicContact CD1-CB 4.49Å; F414-F418 HydrophobicContact CD1-CD1 4.46Å; F414-F418 HydrophobicContact CE1-CB 4.19Å; F414-F418 AromaticContact CE1-CD1 3.51Å; F414-F418 HydrophobicContact CE1-CD1 3.51Å; F414-F418 HydrophobicContact CE1-CE1 4.31Å; F414-F418 HydrophobicContact CE1-CG 4.17Å; F414-F418 HydrophobicContact CZ-CB 4.23Å; F414-F418 AromaticContact CZ-CD1 3.65Å; F414-F418 HydrophobicContact CZ-CD1 3.65Å; F414-F418 HydrophobicContact CZ-CE1 4.3Å; F414-F418 HydrophobicContact CZ-CG 4.07Å; F414-F418 WeakPolarHBondContact O-CB 3.29Å; F414-F418 PolarHBondContact O-N 2.95Å; F418-I420 PolarHBondContact O-N 2.85Å; F418-P421 WeakPolarHBondContact O-CD 3.43Å; F418-Y422 WeakPolarHBondContact O-CB 3.46Å; F418-Y422 PolarHBondContact O-N 2.7Å |
| 419 | L | 95.8 | Very high | 95.6 | Very high | 71 Ų | 71 | 39.4 Ų | 39.4 | 37% | 0.372 | 21% | 0.21 | S | C | . | . | I | π-helix | trans | -63.1 | -42.8 | -167.7 | -178.7 | 61.7 | 0 | 0 | 0 | 112.6 | S415 I423 | S415-L419 PolarHBondContact O-N 2.88Å; L419-I423 HydrophobicContact CD1-CD1 4.24Å; L419-I423 HydrophobicContact CG-CD1 4.1Å; L419-I423 WeakPolarHBondContact O-CD1 3.26Å; L419-I423 VanDerWaalsContact O-CG1 3.28Å; L419-I423 WeakPolarHBondContact O-CG1 3.41Å; L419-I423 PolarHBondContact O-N 2.81Å |
| 420 | I | 96.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -74.9 | -46.3 | -176.1 | -65.5 | 169.3 | 0 | 0 | 0 | 111.2 | W142 L364 V365 S415 F418 Y422 I423 F424 | W142-I420 HydrophobicContact CH2-CD1 4.26Å; W142-I420 HydrophobicContact CH2-CG2 4.22Å; W142-I420 HydrophobicContact CZ2-CB 4.09Å; W142-I420 HydrophobicContact CZ2-CD1 3.83Å; W142-I420 HydrophobicContact CZ2-CG2 3.57Å; L364-I420 HydrophobicContact CB-CD1 3.81Å; L364-I420 HydrophobicContact CB-CG1 3.9Å; L364-I420 HydrophobicContact CD1-CG1 4.02Å; L364-I420 HydrophobicContact CD1-CG2 4.42Å; V365-I420 HydrophobicContact CG2-CD1 3.64Å; S415-I420 VanDerWaalsContact O-CB 3.31Å; S415-I420 WeakPolarHBondContact O-CB 3.38Å; S415-I420 WeakPolarHBondContact O-CG1 3.38Å; S415-I420 PolarHBondContact O-N 3.16Å; F418-I420 PolarHBondContact O-N 2.85Å; I420-Y422 VanDerWaalsContact C-N 3.31Å; I420-Y422 PolarHBondContact O-N 3.49Å; I420-I423 PolarHBondContact O-N 3.24Å; I420-I423 VanDerWaalsContact O-N 3.16Å; I420-F424 HydrophobicContact CG2-CD1 4.26Å; I420-F424 HydrophobicContact CG2-CD2 4.3Å; I420-F424 HydrophobicContact CG2-CE1 3.58Å; I420-F424 HydrophobicContact CG2-CE2 3.62Å; I420-F424 HydrophobicContact CG2-CZ 3.21Å; I420-F424 WeakPolarHBondContact O-CD1 3.5Å; I420-F424 VanDerWaalsContact O-CG 3.32Å; I420-F424 WeakPolarHBondContact O-CG 3.48Å; I420-F424 PolarHBondContact O-N 2.8Å |
| 421 | P | 94.8 | Very high | 94.9 | Very high | 12 Ų | 12 | 44.8 Ų | 44.8 | 8% | 0.078 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.6 | -41.1 | 167.7 | -30.5 | 37.9 | 0 | 0 | 0 | 114 | I330 I416 F418 I423 F424 S425 | I330-P421 HydrophobicContact CG2-CB 4.27Å; I416-P421 VanDerWaalsContact O-CD 3.25Å; I416-P421 WeakPolarHBondContact O-CD 3.49Å; I416-P421 WeakPolarHBondContact O-CG 3.48Å; F418-P421 WeakPolarHBondContact O-CD 3.43Å; P421-I423 PolarHBondContact O-N 3.46Å; P421-F424 PolarHBondContact O-N 3.03Å; P421-S425 PolarHBondContact O-N 2.66Å; P421-S425 PolarHBondContact O-OG 3.49Å |
| 422 | Y | 94.1 | Very high | 94.8 | Very high | 124 Ų | 124 | 44.8 Ų | 44.8 | 49% | 0.486 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.4 | -44.4 | 174.7 | -178.2 | -100.2 | 0 | 0 | 0 | 112.2 | I330 F418 I420 S425 F426 | I330-Y422 HydrophobicContact CD1-CD2 3.75Å; I330-Y422 HydrophobicContact CD1-CG 4.44Å; I330-Y422 HydrophobicContact CG1-CD2 4.29Å; F418-Y422 WeakPolarHBondContact O-CB 3.46Å; F418-Y422 PolarHBondContact O-N 2.7Å; I420-Y422 VanDerWaalsContact C-N 3.31Å; I420-Y422 PolarHBondContact O-N 3.49Å; Y422-S425 PolarHBondContact O-N 2.85Å; Y422-F426 WeakPolarHBondContact O-CB 3.35Å; Y422-F426 PolarHBondContact O-N 3.46Å |
| 423 | I | 95.1 | Very high | 94.6 | Very high | 48 Ų | 48 | 47.1 Ų | 47.1 | 25% | 0.246 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 174.5 | -69.8 | 163.4 | 0 | 0 | 0 | 111.1 | L364 L419 I420 P421 S425 F426 I427 | L364-I423 HydrophobicContact CD1-CD1 3.86Å; L364-I423 HydrophobicContact CD1-CG2 4.23Å; L419-I423 HydrophobicContact CD1-CD1 4.24Å; L419-I423 HydrophobicContact CG-CD1 4.1Å; L419-I423 WeakPolarHBondContact O-CD1 3.26Å; L419-I423 VanDerWaalsContact O-CG1 3.28Å; L419-I423 WeakPolarHBondContact O-CG1 3.41Å; L419-I423 PolarHBondContact O-N 2.81Å; I420-I423 PolarHBondContact O-N 3.24Å; I420-I423 VanDerWaalsContact O-N 3.16Å; P421-I423 PolarHBondContact O-N 3.46Å; I423-S425 PolarHBondContact O-N 2.93Å; I423-F426 PolarHBondContact O-N 3.45Å; I423-I427 HydrophobicContact CG2-CD1 4.33Å; I423-I427 WeakPolarHBondContact O-CG1 3.4Å; I423-I427 PolarHBondContact O-N 2.9Å |
| 424 | F | 95 | Very high | 94.4 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 177.3 | -65.4 | -15.9 | 0 | 0 | 0 | 112.9 | W142 R357 I360 I420 P421 G428 I429 S430 | W142-F424 HydrophobicContact CB-CE2 3.99Å; W142-F424 AromaticContact CD1-CE2 3.9Å; W142-F424 AromaticContact CD2-CE2 3.76Å; W142-F424 HydrophobicContact CD2-CE2 3.76Å; W142-F424 HydrophobicContact CD2-CZ 4.13Å; W142-F424 HydrophobicContact CE3-CE2 4.29Å; W142-F424 HydrophobicContact CE3-CZ 4.27Å; W142-F424 AromaticContact CG-CE2 3.62Å; W142-F424 HydrophobicContact CG-CE2 3.62Å; W142-F424 HydrophobicContact CG-CZ 4.44Å; R357-F424 HydrophobicContact CB-CD2 4.25Å; R357-F424 HydrophobicContact CB-CE1 4.4Å; R357-F424 HydrophobicContact CB-CE2 3.69Å; R357-F424 HydrophobicContact CB-CZ 3.78Å; R357-F424 HydrophobicContact CG-CD2 3.82Å; R357-F424 HydrophobicContact CG-CE2 3.79Å; R357-F424 HydrophobicContact CG-CG 4.21Å; R357-F424 HydrophobicContact CG-CZ 4.16Å; R357-F424 WeakPolarHBondContact O-CZ 3.44Å; I360-F424 HydrophobicContact CB-CE1 4.28Å; I360-F424 HydrophobicContact CG2-CE1 4.13Å; I420-F424 HydrophobicContact CG2-CD1 4.26Å; I420-F424 HydrophobicContact CG2-CD2 4.3Å; I420-F424 HydrophobicContact CG2-CE1 3.58Å; I420-F424 HydrophobicContact CG2-CE2 3.62Å; I420-F424 HydrophobicContact CG2-CZ 3.21Å; I420-F424 WeakPolarHBondContact O-CD1 3.5Å; I420-F424 VanDerWaalsContact O-CG 3.32Å; I420-F424 WeakPolarHBondContact O-CG 3.48Å; I420-F424 PolarHBondContact O-N 2.8Å; P421-F424 PolarHBondContact O-N 3.03Å; F424-G428 PolarHBondContact O-N 3Å; F424-G428 VanDerWaalsContact O-N 3.14Å; F424-I429 HydrophobicContact CB-CG1 3.88Å; F424-I429 HydrophobicContact CD1-CD1 3.72Å; F424-I429 HydrophobicContact CD1-CG1 3.91Å; F424-I429 HydrophobicContact CE1-CD1 4.15Å; F424-I429 HydrophobicContact CG-CD1 4.29Å; F424-I429 HydrophobicContact CG-CG1 4.04Å; F424-I429 PolarHBondContact O-N 2.85Å; F424-S430 PolarHBondContact O-N 3.14Å; F424-S430 VanDerWaalsContact O-N 3.14Å |
| 425 | S | 91.9 | Very high | 94.2 | Very high | 59 Ų | 59 | 48.4 Ų | 48.4 | 41% | 0.413 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65 | -43.7 | 173.1 | -66.4 | 0 | 0 | 0 | 0 | 111.6 | P421 Y422 I423 I427 G428 | P421-S425 PolarHBondContact O-N 2.66Å; P421-S425 PolarHBondContact O-OG 3.49Å; Y422-S425 PolarHBondContact O-N 2.85Å; I423-S425 PolarHBondContact O-N 2.93Å; S425-I427 VanDerWaalsContact C-N 3.35Å; S425-I427 PolarHBondContact O-N 3.02Å; S425-G428 PolarHBondContact O-N 2.84Å; S425-G428 VanDerWaalsContact O-N 3.16Å |
| 426 | F | 91.7 | Very high | 93.9 | Very high | 169 Ų | 169 | 51.3 Ų | 51.3 | 74% | 0.741 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -61.5 | -38.3 | 178.2 | -176.5 | -98.1 | 0 | 0 | 0 | 113.3 | Y422 I423 | Y422-F426 WeakPolarHBondContact O-CB 3.35Å; Y422-F426 PolarHBondContact O-N 3.46Å; I423-F426 PolarHBondContact O-N 3.45Å |
| 427 | I | 93.5 | Very high | 93.7 | Very high | 77 Ų | 77 | 54.4 Ų | 54.4 | 40% | 0.395 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 9.4 | 177.5 | 73 | -171 | 0 | 0 | 0 | 113.7 | I360 I423 S425 I429 | I360-I427 HydrophobicContact CD1-CD1 3.96Å; I423-I427 HydrophobicContact CG2-CD1 4.33Å; I423-I427 WeakPolarHBondContact O-CG1 3.4Å; I423-I427 PolarHBondContact O-N 2.9Å; S425-I427 VanDerWaalsContact C-N 3.35Å; S425-I427 PolarHBondContact O-N 3.02Å; I427-I429 VanDerWaalsContact C-N 3.29Å; I427-I429 HydrophobicContact CD1-CD1 3.8Å; I427-I429 HydrophobicContact CD1-CG1 3.97Å; I427-I429 HydrophobicContact CG1-CB 4.38Å; I427-I429 HydrophobicContact CG1-CD1 4.17Å; I427-I429 HydrophobicContact CG1-CG1 3.76Å; I427-I429 HydrophobicContact CG1-CG2 4.06Å; I427-I429 PolarHBondContact O-N 3.49Å |
| 428 | G | 92.4 | Very high | 93.5 | Very high | 49 Ų | 49 | 58.2 Ų | 58.2 | 51% | 0.505 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 9.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | K353 F424 S425 | K353-G428 WeakPolarHBondContact CE-O 3.29Å; K353-G428 PolarHBondContact NZ-O 3.37Å; F424-G428 PolarHBondContact O-N 3Å; F424-G428 VanDerWaalsContact O-N 3.14Å; S425-G428 PolarHBondContact O-N 2.84Å; S425-G428 VanDerWaalsContact O-N 3.16Å |
| 429 | I | 92.5 | Very high | 93.3 | Very high | 17 Ų | 17 | 59.8 Ų | 59.8 | 9% | 0.087 | 33% | 0.33 | C | S | . | . | trans | -96.6 | -0.7 | -177.6 | 76.9 | 170 | 0 | 0 | 0 | 114.4 | L356 R357 I360 F424 I427 | L356-I429 HydrophobicContact CB-CD1 4.38Å; L356-I429 HydrophobicContact CD2-CD1 4.25Å; L356-I429 HydrophobicContact CD2-CG2 3.73Å; L356-I429 HydrophobicContact CG-CD1 3.88Å; R357-I429 HydrophobicContact CG-CD1 3.99Å; R357-I429 HydrophobicContact CG-CG1 4.14Å; R357-I429 PolarHBondContact NE-O 2.97Å; R357-I429 PolarHBondContact NH2-O 3.01Å; I360-I429 HydrophobicContact CD1-CD1 4.11Å; F424-I429 HydrophobicContact CB-CG1 3.88Å; F424-I429 HydrophobicContact CD1-CD1 3.72Å; F424-I429 HydrophobicContact CD1-CG1 3.91Å; F424-I429 HydrophobicContact CE1-CD1 4.15Å; F424-I429 HydrophobicContact CG-CD1 4.29Å; F424-I429 HydrophobicContact CG-CG1 4.04Å; F424-I429 PolarHBondContact O-N 2.85Å; I427-I429 VanDerWaalsContact C-N 3.29Å; I427-I429 HydrophobicContact CD1-CD1 3.8Å; I427-I429 HydrophobicContact CD1-CG1 3.97Å; I427-I429 HydrophobicContact CG1-CB 4.38Å; I427-I429 HydrophobicContact CG1-CD1 4.17Å; I427-I429 HydrophobicContact CG1-CG1 3.76Å; I427-I429 HydrophobicContact CG1-CG2 4.06Å; I427-I429 PolarHBondContact O-N 3.49Å | ||
| 430 | S | 85.9 | Confident | 93 | Very high | 87 Ų | 87 | 58.8 Ų | 58.8 | 61% | 0.608 | 33% | 0.326 | S | S | * | . | trans | -53.7 | 0 | 169 | -169.2 | 0 | 0 | 0 | 0 | 112.4 | K353 R357 F424 | K353-S430 PolarHBondContact NZ-O 2.79Å; R357-S430 PolarHBondContact NH2-O 3.12Å; R357-S430 PolarHBondContact NH2-OXT 3.25Å; F424-S430 PolarHBondContact O-N 3.14Å; F424-S430 VanDerWaalsContact O-N 3.14Å |
Retrieved 430 of 430 residues in 718.6 ms
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