| 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 | 74.1 | Confident | 86.1 | Confident | 202 Ų | 202 | 119.5 Ų | 119.5 | 100% | 0.995 | 62% | 0.616 | S | S | * | * | 0 | -47.4 | 0 | -71 | -169.8 | 175.9 | 0 | 0 | 112.9 | W3 R4 T5 | M1-W3 PolarHBondContact O-N 2.77Å; M1-R4 PolarHBondContact O-N 2.63Å; M1-T5 PolarHBondContact O-N 3.42Å; M1-T5 VanDerWaalsContact O-N 3.09Å; M1-T5 PolarHBondContact O-OG1 3.06Å | |||
| 2 | V | 91.3 | Very high | 85.7 | Confident | 102 Ų | 102 | 112.3 Ų | 112.3 | 62% | 0.618 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -47.3 | -52.4 | -179.4 | -179.3 | 0 | 0 | 0 | 0 | 114.1 | R4 T5 L6 | V2-R4 VanDerWaalsContact C-N 3.31Å; V2-R4 PolarHBondContact O-N 2.9Å; V2-T5 WeakPolarHBondContact O-CB 3.48Å; V2-T5 PolarHBondContact O-N 2.69Å; V2-T5 VanDerWaalsContact O-N 3.12Å; V2-L6 HydrophobicContact CG1-CD1 4.18Å; V2-L6 PolarHBondContact O-N 3Å |
| 3 | W | 85.7 | Confident | 85.4 | Confident | 213 Ų | 213 | 106.5 Ų | 106.5 | 81% | 0.807 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -61.2 | -35.6 | -179.9 | -64.8 | 119.1 | 0 | 0 | 0 | 114 | M1 L6 A7 | M1-W3 PolarHBondContact O-N 2.77Å; W3-L6 HydrophobicContact CE3-CD1 3.97Å; W3-L6 HydrophobicContact CZ3-CD1 4.09Å; W3-A7 WeakPolarHBondContact O-CB 3.48Å; W3-A7 PolarHBondContact O-N 2.77Å |
| 4 | R | 84.7 | Confident | 85.3 | Confident | 211 Ų | 211 | 105.1 Ų | 105.1 | 80% | 0.796 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69.9 | -37 | 175.8 | -70.5 | -175.8 | 69.7 | 97.5 | -3 | 111.4 | M1 V2 G8 | M1-R4 PolarHBondContact O-N 2.63Å; V2-R4 VanDerWaalsContact C-N 3.31Å; V2-R4 PolarHBondContact O-N 2.9Å; R4-G8 PolarHBondContact O-N 3.08Å |
| 5 | T | 88 | Confident | 84.8 | Confident | 92 Ų | 92 | 99.4 Ų | 99.4 | 56% | 0.564 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64 | -47.8 | 175.1 | -52.9 | 0 | 0 | 0 | 0 | 110.9 | M1 V2 G8 V9 | M1-T5 PolarHBondContact O-N 3.42Å; M1-T5 VanDerWaalsContact O-N 3.09Å; M1-T5 PolarHBondContact O-OG1 3.06Å; V2-T5 WeakPolarHBondContact O-CB 3.48Å; V2-T5 PolarHBondContact O-N 2.69Å; V2-T5 VanDerWaalsContact O-N 3.12Å; T5-G8 PolarHBondContact O-N 2.88Å; T5-V9 WeakPolarHBondContact O-CG2 3.24Å; T5-V9 PolarHBondContact O-N 2.76Å |
| 6 | L | 90.3 | Very high | 84.3 | Confident | 76 Ų | 76 | 95.1 Ų | 95.1 | 40% | 0.398 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.4 | -49.3 | 176.6 | -70.6 | 173.1 | 0 | 0 | 0 | 111.3 | V2 W3 G8 V9 F10 | V2-L6 HydrophobicContact CG1-CD1 4.18Å; V2-L6 PolarHBondContact O-N 3Å; W3-L6 HydrophobicContact CE3-CD1 3.97Å; W3-L6 HydrophobicContact CZ3-CD1 4.09Å; L6-G8 VanDerWaalsContact C-N 3.29Å; L6-G8 PolarHBondContact O-N 2.9Å; L6-V9 PolarHBondContact O-N 3.24Å; L6-F10 WeakPolarHBondContact O-CD2 3.4Å; L6-F10 PolarHBondContact O-N 2.86Å; L6-F10 VanDerWaalsContact O-N 3.11Å |
| 7 | A | 86.3 | Confident | 84.1 | Confident | 51 Ų | 51 | 95.3 Ų | 95.3 | 42% | 0.421 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -56 | -44.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | W3 V9 F10 T11 | W3-A7 WeakPolarHBondContact O-CB 3.48Å; W3-A7 PolarHBondContact O-N 2.77Å; A7-V9 PolarHBondContact O-N 3.22Å; A7-F10 PolarHBondContact O-N 3.5Å; A7-T11 WeakPolarHBondContact O-CB 3.04Å; A7-T11 PolarHBondContact O-N 3.45Å; A7-T11 PolarHBondContact O-OG1 2.94Å |
| 8 | G | 85.9 | Confident | 84 | Confident | 43 Ų | 43 | 95.9 Ų | 95.9 | 44% | 0.443 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.8 | -41.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R4 T5 L6 G12 | R4-G8 PolarHBondContact O-N 3.08Å; T5-G8 PolarHBondContact O-N 2.88Å; L6-G8 VanDerWaalsContact C-N 3.29Å; L6-G8 PolarHBondContact O-N 2.9Å; G8-G12 PolarHBondContact O-N 2.89Å |
| 9 | V | 87.9 | Confident | 83.5 | Confident | 101 Ų | 101 | 91.9 Ų | 91.9 | 61% | 0.612 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62 | -48.1 | 176 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | T5 L6 A7 G12 G13 | T5-V9 WeakPolarHBondContact O-CG2 3.24Å; T5-V9 PolarHBondContact O-N 2.76Å; L6-V9 PolarHBondContact O-N 3.24Å; A7-V9 PolarHBondContact O-N 3.22Å; V9-G12 PolarHBondContact O-N 3.13Å; V9-G13 PolarHBondContact O-N 2.95Å; V9-G13 VanDerWaalsContact O-N 3.11Å |
| 10 | F | 88.2 | Confident | 83.2 | Confident | 147 Ų | 147 | 88.2 Ų | 88.2 | 65% | 0.645 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.7 | -43.4 | 179.1 | -70.3 | -66.3 | 0 | 0 | 0 | 112.3 | L6 A7 G12 G13 V14 | L6-F10 WeakPolarHBondContact O-CD2 3.4Å; L6-F10 PolarHBondContact O-N 2.86Å; L6-F10 VanDerWaalsContact O-N 3.11Å; A7-F10 PolarHBondContact O-N 3.5Å; F10-G12 VanDerWaalsContact C-N 3.29Å; F10-G12 PolarHBondContact O-N 2.86Å; F10-G13 PolarHBondContact O-N 3.43Å; F10-V14 WeakPolarHBondContact O-CG2 3.45Å; F10-V14 PolarHBondContact O-N 3.28Å |
| 11 | T | 84.4 | Confident | 83.1 | Confident | 77 Ų | 77 | 86.3 Ų | 86.3 | 47% | 0.472 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.5 | -40.9 | 176.2 | -57.7 | 0 | 0 | 0 | 0 | 111.7 | A7 T15 | A7-T11 WeakPolarHBondContact O-CB 3.04Å; A7-T11 PolarHBondContact O-N 3.45Å; A7-T11 PolarHBondContact O-OG1 2.94Å; T11-T15 WeakPolarHBondContact O-CB 3.38Å; T11-T15 PolarHBondContact O-N 3.1Å; T11-T15 PolarHBondContact O-OG1 3.48Å |
| 12 | G | 81.1 | Confident | 83.5 | Confident | 32 Ų | 32 | 78 Ų | 78 | 33% | 0.33 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.7 | -47.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G8 V9 F10 T15 V16 | G8-G12 PolarHBondContact O-N 2.89Å; V9-G12 PolarHBondContact O-N 3.13Å; F10-G12 VanDerWaalsContact C-N 3.29Å; F10-G12 PolarHBondContact O-N 2.86Å; G12-T15 PolarHBondContact O-N 3.2Å; G12-V16 PolarHBondContact O-N 3.31Å |
| 13 | G | 82.2 | Confident | 82.7 | Confident | 38 Ų | 38 | 73.6 Ų | 73.6 | 39% | 0.392 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.7 | -49 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V9 F10 T15 V16 V17 | V9-G13 PolarHBondContact O-N 2.95Å; V9-G13 VanDerWaalsContact O-N 3.11Å; F10-G13 PolarHBondContact O-N 3.43Å; G13-T15 VanDerWaalsContact C-N 3.34Å; G13-T15 PolarHBondContact O-N 3.13Å; G13-V16 PolarHBondContact O-N 3.43Å; G13-V17 WeakPolarHBondContact O-CG2 3.27Å; G13-V17 PolarHBondContact O-N 3.5Å; G13-V17 VanDerWaalsContact O-N 3.11Å |
| 14 | V | 83.6 | Confident | 82.3 | Confident | 86 Ų | 86 | 64.8 Ų | 64.8 | 52% | 0.521 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.9 | -45.1 | 178.6 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | F10 V16 V17 Q18 | F10-V14 WeakPolarHBondContact O-CG2 3.45Å; F10-V14 PolarHBondContact O-N 3.28Å; V14-V16 VanDerWaalsContact C-N 3.33Å; V14-V16 PolarHBondContact O-N 3.34Å; V14-V17 PolarHBondContact O-N 2.93Å; V14-Q18 WeakPolarHBondContact O-CB 3.38Å; V14-Q18 PolarHBondContact O-N 3.18Å |
| 15 | T | 78.5 | Confident | 82.1 | Confident | 20 Ų | 20 | 57.1 Ų | 57.1 | 12% | 0.123 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.1 | -43.2 | -177.9 | -55.1 | 0 | 0 | 0 | 0 | 112.1 | T11 G12 G13 M19 | T11-T15 WeakPolarHBondContact O-CB 3.38Å; T11-T15 PolarHBondContact O-N 3.1Å; T11-T15 PolarHBondContact O-OG1 3.48Å; G12-T15 PolarHBondContact O-N 3.2Å; G13-T15 VanDerWaalsContact C-N 3.34Å; G13-T15 PolarHBondContact O-N 3.13Å; T15-M19 PolarHBondContact O-N 2.99Å |
| 16 | V | 76.4 | Confident | 81.8 | Confident | 30 Ų | 30 | 53.9 Ų | 53.9 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -71.5 | -46.3 | -178.5 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | G12 G13 V14 V20 | G12-V16 PolarHBondContact O-N 3.31Å; G13-V16 PolarHBondContact O-N 3.43Å; V14-V16 VanDerWaalsContact C-N 3.33Å; V14-V16 PolarHBondContact O-N 3.34Å; V16-V20 WeakPolarHBondContact O-CG2 3.44Å; V16-V20 PolarHBondContact O-N 3.48Å |
| 17 | V | 80.5 | Confident | 81.2 | Confident | 99 Ų | 99 | 54 Ų | 54 | 60% | 0.6 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -66.6 | -44.3 | -178.3 | 176.1 | 0 | 0 | 0 | 0 | 111 | G13 V14 M19 V20 F21 | G13-V17 WeakPolarHBondContact O-CG2 3.27Å; G13-V17 PolarHBondContact O-N 3.5Å; G13-V17 VanDerWaalsContact O-N 3.11Å; V14-V17 PolarHBondContact O-N 2.93Å; V17-M19 PolarHBondContact O-N 3.36Å; V17-V20 PolarHBondContact O-N 2.7Å; V17-F21 VanDerWaalsContact O-CB 3.3Å; V17-F21 WeakPolarHBondContact O-CB 3.25Å; V17-F21 PolarHBondContact O-N 3.08Å |
| 18 | Q | 82.5 | Confident | 80.5 | Confident | 107 Ų | 107 | 57.9 Ų | 57.9 | 50% | 0.5 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.9 | -45.1 | -179 | -176.8 | -175.6 | -4.2 | 0 | 0 | 112.2 | V14 V20 F21 M22 | V14-Q18 WeakPolarHBondContact O-CB 3.38Å; V14-Q18 PolarHBondContact O-N 3.18Å; Q18-V20 PolarHBondContact O-N 3.01Å; Q18-F21 PolarHBondContact O-N 3.34Å; Q18-M22 VanDerWaalsContact O-CB 3.28Å; Q18-M22 WeakPolarHBondContact O-CB 3.44Å; Q18-M22 PolarHBondContact O-N 3.16Å |
| 19 | M | 75.8 | Confident | 79.9 | Confident | 20 Ų | 20 | 64.2 Ų | 64.2 | 10% | 0.099 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.8 | -44 | 179.3 | -79.6 | -165.5 | -179.3 | 0 | 0 | 112.3 | T15 V17 M22 V23 Y260 | T15-M19 PolarHBondContact O-N 2.99Å; V17-M19 PolarHBondContact O-N 3.36Å; M19-M22 PolarHBondContact O-N 3.23Å; M19-V23 WeakPolarHBondContact O-CG2 3.42Å; M19-V23 PolarHBondContact O-N 3.11Å; M19-V23 VanDerWaalsContact O-N 3.12Å; M19-Y260 HydrophobicContact CE-CD1 4.45Å; M19-Y260 HydrophobicContact CE-CD2 4.01Å; M19-Y260 HydrophobicContact CE-CE2 4.21Å; M19-Y260 HydrophobicContact CE-CG 4.16Å; M19-Y260 HydrophobicContact SD-CD1 3.93Å; M19-Y260 HydrophobicContact SD-CD2 4.48Å; M19-Y260 HydrophobicContact SD-CE1 4.32Å; M19-Y260 HydrophobicContact SD-CG 4.04Å |
| 20 | V | 76.8 | Confident | 79.5 | Confident | 16 Ų | 16 | 62.5 Ų | 62.5 | 10% | 0.097 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.2 | -47.7 | -179.8 | 175.3 | 0 | 0 | 0 | 0 | 110.2 | V16 V17 Q18 M22 V23 E24 N273 | V16-V20 WeakPolarHBondContact O-CG2 3.44Å; V16-V20 PolarHBondContact O-N 3.48Å; V17-V20 PolarHBondContact O-N 2.7Å; Q18-V20 PolarHBondContact O-N 3.01Å; V20-M22 VanDerWaalsContact C-N 3.3Å; V20-M22 PolarHBondContact O-N 3.21Å; V20-V23 PolarHBondContact O-N 3.44Å; V20-E24 HydrophobicContact CG1-CG 4.37Å; V20-E24 WeakPolarHBondContact O-CB 3.21Å; V20-E24 WeakPolarHBondContact O-CG 3.4Å; V20-E24 PolarHBondContact O-N 2.86Å; V20-N273 WeakPolarHBondContact CG1-OD1 3.29Å; V20-N273 WeakPolarHBondContact CG2-OD1 3.49Å |
| 21 | F | 81.8 | Confident | 79.1 | Confident | 49 Ų | 49 | 56.3 Ų | 56.3 | 22% | 0.215 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.6 | -44.7 | 177.9 | -175.5 | -89.3 | 0 | 0 | 0 | 111.7 | V17 Q18 E24 N25 L78 E79 | V17-F21 VanDerWaalsContact O-CB 3.3Å; V17-F21 WeakPolarHBondContact O-CB 3.25Å; V17-F21 PolarHBondContact O-N 3.08Å; Q18-F21 PolarHBondContact O-N 3.34Å; F21-E24 PolarHBondContact O-N 3.43Å; F21-N25 VanDerWaalsContact CE1-ND2 3.34Å; F21-N25 WeakPolarHBondContact CE1-ND2 3.4Å; F21-N25 VanDerWaalsContact CE2-ND2 3.29Å; F21-N25 WeakPolarHBondContact CE2-ND2 3.27Å; F21-N25 WeakPolarHBondContact CZ-ND2 3.48Å; F21-N25 PolarHBondContact O-N 2.97Å; F21-N25 VanDerWaalsContact O-N 3.11Å; F21-N25 PolarHBondContact O-ND2 3.31Å; F21-L78 HydrophobicContact CD1-CD2 4.21Å; F21-L78 HydrophobicContact CD2-CD2 4.45Å; F21-L78 HydrophobicContact CE1-CD1 4.2Å; F21-L78 HydrophobicContact CE1-CD2 3.51Å; F21-L78 HydrophobicContact CE1-CG 4.05Å; F21-L78 HydrophobicContact CE2-CD2 3.77Å; F21-L78 HydrophobicContact CZ-CD1 4.33Å; F21-L78 HydrophobicContact CZ-CD2 3.25Å; F21-L78 HydrophobicContact CZ-CG 3.71Å; F21-E79 VanDerWaalsContact CE2-O 3.32Å; F21-E79 WeakPolarHBondContact CE2-O 3.29Å; F21-E79 VanDerWaalsContact CZ-O 3.27Å; F21-E79 WeakPolarHBondContact CZ-O 3.34Å |
| 22 | M | 81.2 | Confident | 78.8 | Confident | 29 Ų | 29 | 52.7 Ų | 52.7 | 14% | 0.143 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.2 | -48 | 178 | -175.7 | -176.5 | 77.8 | 0 | 0 | 112.1 | Q18 M19 V20 E24 N25 I26 I34 Q35 | Q18-M22 VanDerWaalsContact O-CB 3.28Å; Q18-M22 WeakPolarHBondContact O-CB 3.44Å; Q18-M22 PolarHBondContact O-N 3.16Å; M19-M22 PolarHBondContact O-N 3.23Å; V20-M22 VanDerWaalsContact C-N 3.3Å; V20-M22 PolarHBondContact O-N 3.21Å; M22-E24 VanDerWaalsContact C-N 3.28Å; M22-E24 PolarHBondContact O-N 3.45Å; M22-N25 PolarHBondContact O-N 3.19Å; M22-I26 HydrophobicContact CB-CD1 4.48Å; M22-I26 HydrophobicContact CG-CD1 3.31Å; M22-I26 HydrophobicContact CG-CG1 4.34Å; M22-I26 VanDerWaalsContact O-CB 3.28Å; M22-I26 WeakPolarHBondContact O-CB 3.39Å; M22-I26 WeakPolarHBondContact O-CG1 3.35Å; M22-I26 PolarHBondContact O-N 3.07Å; M22-I26 HydrophobicContact SD-CD1 4.33Å; M22-I34 HydrophobicContact SD-CG2 4.2Å; M22-Q35 HydrophobicContact CE-CB 3.68Å; M22-Q35 HydrophobicContact CE-CG 3.79Å |
| 23 | V | 74.9 | Confident | 78.9 | Confident | 8 Ų | 8 | 56.8 Ų | 56.8 | 5% | 0.048 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.1 | -30.5 | -179.8 | 171.5 | 0 | 0 | 0 | 0 | 112.2 | M19 V20 R31 | M19-V23 WeakPolarHBondContact O-CG2 3.42Å; M19-V23 PolarHBondContact O-N 3.11Å; M19-V23 VanDerWaalsContact O-N 3.12Å; V20-V23 PolarHBondContact O-N 3.44Å; V23-R31 PolarHBondContact O-NE 2.82Å; V23-R31 VanDerWaalsContact O-NE 3.16Å; V23-R31 PolarHBondContact O-NH2 3.01Å |
| 24 | E | 78.1 | Confident | 79 | Confident | 29 Ų | 29 | 57.3 Ų | 57.3 | 14% | 0.136 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -73.8 | -40.5 | 179.3 | -73.7 | -174.2 | 175.9 | 0 | 0 | 113.2 | V20 F21 M22 S81 | V20-E24 HydrophobicContact CG1-CG 4.37Å; V20-E24 WeakPolarHBondContact O-CB 3.21Å; V20-E24 WeakPolarHBondContact O-CG 3.4Å; V20-E24 PolarHBondContact O-N 2.86Å; F21-E24 PolarHBondContact O-N 3.43Å; M22-E24 VanDerWaalsContact C-N 3.28Å; M22-E24 PolarHBondContact O-N 3.45Å; E24-S81 VanDerWaalsContact OE2-CB 3.28Å; E24-S81 WeakPolarHBondContact OE2-CB 3.29Å; E24-S81 PolarHBondContact OE2-OG 3.33Å |
| 25 | N | 80.1 | Confident | 78.8 | Confident | 49 Ų | 49 | 53.6 Ų | 53.6 | 26% | 0.262 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -86.7 | -23.2 | -176.9 | -70.7 | -72.4 | 0 | 0 | 0 | 114 | F21 M22 P82 | F21-N25 VanDerWaalsContact CE1-ND2 3.34Å; F21-N25 WeakPolarHBondContact CE1-ND2 3.4Å; F21-N25 VanDerWaalsContact CE2-ND2 3.29Å; F21-N25 WeakPolarHBondContact CE2-ND2 3.27Å; F21-N25 WeakPolarHBondContact CZ-ND2 3.48Å; F21-N25 PolarHBondContact O-N 2.97Å; F21-N25 VanDerWaalsContact O-N 3.11Å; F21-N25 PolarHBondContact O-ND2 3.31Å; M22-N25 PolarHBondContact O-N 3.19Å; N25-P82 WeakPolarHBondContact OD1-CD 3.42Å |
| 26 | I | 82.1 | Confident | 78.9 | Confident | 25 Ų | 25 | 52.6 Ų | 52.6 | 13% | 0.128 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -92 | 136.2 | -176.4 | -62.8 | 174.1 | 0 | 0 | 0 | 112.1 | M22 D30 R31 I34 | M22-I26 HydrophobicContact CB-CD1 4.48Å; M22-I26 HydrophobicContact CG-CD1 3.31Å; M22-I26 HydrophobicContact CG-CG1 4.34Å; M22-I26 VanDerWaalsContact O-CB 3.28Å; M22-I26 WeakPolarHBondContact O-CB 3.39Å; M22-I26 WeakPolarHBondContact O-CG1 3.35Å; M22-I26 PolarHBondContact O-N 3.07Å; M22-I26 HydrophobicContact SD-CD1 4.33Å; I26-D30 HydrophobicContact CG2-CB 4.04Å; I26-R31 HydrophobicContact CB-CG 4.05Å; I26-R31 HydrophobicContact CG2-CB 4.46Å; I26-R31 HydrophobicContact CG2-CG 3.84Å; I26-R31 PolarHBondContact O-NE 2.86Å; I26-I34 HydrophobicContact CD1-CB 3.95Å; I26-I34 HydrophobicContact CD1-CD1 3.64Å; I26-I34 HydrophobicContact CD1-CG1 4.37Å; I26-I34 HydrophobicContact CD1-CG2 3.58Å; I26-I34 HydrophobicContact CG1-CD1 4.16Å; I26-I34 HydrophobicContact CG2-CD1 3.76Å |
| 27 | P | 77.7 | Confident | 79.1 | Confident | 77 Ų | 77 | 52 Ų | 52 | 50% | 0.5 | 25% | 0.251 | S | S | . | . | trans | -54.5 | 145.2 | 172.4 | -25.1 | 33.9 | 0 | 0 | 0 | 113 | K29 D30 R31 | P27-K29 PolarHBondContact O-N 3.39Å; P27-D30 PolarHBondContact O-N 3.38Å; P27-R31 WeakPolarHBondContact O-CG 3.4Å; P27-R31 PolarHBondContact O-N 3.13Å | ||
| 28 | R | 71.6 | Confident | 79.1 | Confident | 134 Ų | 134 | 53 Ų | 53 | 51% | 0.506 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -33.9 | -174.3 | -66.1 | -174.4 | -177 | -178.1 | 2.9 | 114 | ||
| 29 | K | 73.2 | Confident | 78.6 | Confident | 175 Ų | 175 | 49 Ų | 49 | 76% | 0.761 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -31.9 | -178 | -63.8 | -176.5 | 178.8 | -178.6 | 0 | 112.6 | P27 | P27-K29 PolarHBondContact O-N 3.39Š|
| 30 | D | 79.7 | Confident | 78.8 | Confident | 66 Ų | 66 | 54.4 Ų | 54.4 | 35% | 0.353 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -9.2 | -169.8 | -51.2 | -44.8 | 0 | 0 | 0 | 113.3 | I26 P27 M32 W33 I34 | I26-D30 HydrophobicContact CG2-CB 4.04Å; P27-D30 PolarHBondContact O-N 3.38Å; D30-M32 VanDerWaalsContact C-N 3.34Å; D30-M32 PolarHBondContact O-N 3.44Å; D30-W33 PolarHBondContact O-N 3.45Å; D30-I34 HydrophobicContact CB-CD1 4.29Å; D30-I34 PolarHBondContact O-N 3.03Å |
| 31 | R | 79.2 | Confident | 79.1 | Confident | 16 Ų | 16 | 53.7 Ų | 53.7 | 6% | 0.06 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -52.7 | -48.9 | -179.8 | -76.6 | 169.4 | -170.7 | -176 | -6.6 | 112.9 | V23 I26 P27 Q35 | V23-R31 PolarHBondContact O-NE 2.82Å; V23-R31 VanDerWaalsContact O-NE 3.16Å; V23-R31 PolarHBondContact O-NH2 3.01Å; I26-R31 HydrophobicContact CB-CG 4.05Å; I26-R31 HydrophobicContact CG2-CB 4.46Å; I26-R31 HydrophobicContact CG2-CG 3.84Å; I26-R31 PolarHBondContact O-NE 2.86Å; P27-R31 WeakPolarHBondContact O-CG 3.4Å; P27-R31 PolarHBondContact O-N 3.13Å; R31-Q35 VanDerWaalsContact O-CB 3.23Å; R31-Q35 WeakPolarHBondContact O-CB 3.25Å; R31-Q35 PolarHBondContact O-N 3.19Å |
| 32 | M | 77.4 | Confident | 79.4 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.2 | -43.8 | -178.5 | -173.2 | 63.3 | 158.7 | 0 | 0 | 111.1 | D30 I34 Q35 N36 V198 I213 I257 M261 | D30-M32 VanDerWaalsContact C-N 3.34Å; D30-M32 PolarHBondContact O-N 3.44Å; M32-I34 PolarHBondContact O-N 3.01Å; M32-Q35 PolarHBondContact O-N 2.95Å; M32-N36 WeakPolarHBondContact CE-ND2 3.2Å; M32-N36 WeakPolarHBondContact CG-ND2 3.27Å; M32-N36 VanDerWaalsContact O-CB 3.29Å; M32-N36 WeakPolarHBondContact O-CB 3.23Å; M32-N36 PolarHBondContact O-N 3.15Å; M32-N36 PolarHBondContact O-ND2 3.22Å; M32-N36 PolarHBondContact SD-ND2 3.08Å; M32-N36 VanDerWaalsContact SD-ND2 3.43Å; M32-V198 HydrophobicContact CE-CG1 4.28Å; M32-I213 HydrophobicContact CE-CD1 4.25Å; M32-I257 HydrophobicContact CE-CG2 4.28Å; M32-I257 HydrophobicContact SD-CG2 3.87Å; M32-M261 HydrophobicContact CB-CE 4.05Å; M32-M261 HydrophobicContact CB-SD 4.3Å; M32-M261 HydrophobicContact CE-CE 4.26Å; M32-M261 HydrophobicContact CG-CE 4.12Å; M32-M261 HydrophobicContact SD-CE 3.32Å; M32-M261 WeakPolarHBondContact SD-CE 3.32Å; M32-M261 HydrophobicContact SD-SD 3.91Å |
| 33 | W | 82.9 | Confident | 79.7 | Confident | 119 Ų | 119 | 55.2 Ų | 55.2 | 45% | 0.451 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.5 | -49.6 | 178.8 | 178.2 | -98 | 0 | 0 | 0 | 111.5 | D30 N36 S37 I196 S199 I200 | D30-W33 PolarHBondContact O-N 3.45Å; W33-N36 PolarHBondContact O-N 3.24Å; W33-S37 WeakPolarHBondContact O-CB 3.28Å; W33-S37 PolarHBondContact O-N 2.92Å; W33-S37 PolarHBondContact O-OG 3.23Å; W33-I196 HydrophobicContact CH2-CG2 4.38Å; W33-S199 VanDerWaalsContact CE3-CB 3.42Å; W33-I200 HydrophobicContact CH2-CG1 4.38Å; W33-I200 HydrophobicContact CZ3-CG1 3.82Å |
| 34 | I | 84.4 | Confident | 80.3 | Confident | 48 Ų | 48 | 56.5 Ų | 56.5 | 25% | 0.246 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.2 | -43.6 | -178.7 | -69.3 | 170.7 | 0 | 0 | 0 | 110.6 | M22 I26 D30 M32 N36 S37 I38 | M22-I34 HydrophobicContact SD-CG2 4.2Å; I26-I34 HydrophobicContact CD1-CB 3.95Å; I26-I34 HydrophobicContact CD1-CD1 3.64Å; I26-I34 HydrophobicContact CD1-CG1 4.37Å; I26-I34 HydrophobicContact CD1-CG2 3.58Å; I26-I34 HydrophobicContact CG1-CD1 4.16Å; I26-I34 HydrophobicContact CG2-CD1 3.76Å; D30-I34 HydrophobicContact CB-CD1 4.29Å; D30-I34 PolarHBondContact O-N 3.03Å; M32-I34 PolarHBondContact O-N 3.01Å; I34-N36 VanDerWaalsContact C-N 3.34Å; I34-N36 PolarHBondContact O-N 3.43Å; I34-S37 PolarHBondContact O-N 3.47Å; I34-I38 HydrophobicContact CG2-CD1 4.26Å; I34-I38 PolarHBondContact O-N 3.42Å |
| 35 | Q | 80.1 | Confident | 80.9 | Confident | 8 Ų | 8 | 57.4 Ų | 57.4 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.6 | -38.4 | 179.4 | -172.1 | 165.9 | -1.8 | 0 | 0 | 112.7 | M22 R31 M32 T39 I257 | M22-Q35 HydrophobicContact CE-CB 3.68Å; M22-Q35 HydrophobicContact CE-CG 3.79Å; R31-Q35 VanDerWaalsContact O-CB 3.23Å; R31-Q35 WeakPolarHBondContact O-CB 3.25Å; R31-Q35 PolarHBondContact O-N 3.19Å; M32-Q35 PolarHBondContact O-N 2.95Å; Q35-T39 VanDerWaalsContact C-OG1 3.31Å; Q35-T39 WeakPolarHBondContact CA-OG1 3.48Å; Q35-T39 WeakPolarHBondContact O-CB 3.44Å; Q35-T39 PolarHBondContact O-OG1 3.15Å; Q35-I257 HydrophobicContact CG-CG2 3.92Å |
| 36 | N | 81.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -75.5 | -35.1 | 178.7 | -80.4 | -27.9 | 0 | 0 | 0 | 113.1 | M32 W33 I34 N195 S199 I257 | M32-N36 WeakPolarHBondContact CE-ND2 3.2Å; M32-N36 WeakPolarHBondContact CG-ND2 3.27Å; M32-N36 VanDerWaalsContact O-CB 3.29Å; M32-N36 WeakPolarHBondContact O-CB 3.23Å; M32-N36 PolarHBondContact O-N 3.15Å; M32-N36 PolarHBondContact O-ND2 3.22Å; M32-N36 PolarHBondContact SD-ND2 3.08Å; M32-N36 VanDerWaalsContact SD-ND2 3.43Å; W33-N36 PolarHBondContact O-N 3.24Å; I34-N36 VanDerWaalsContact C-N 3.34Å; I34-N36 PolarHBondContact O-N 3.43Å; N36-N195 HydrophobicContact CB-CB 3.98Å; N36-N195 WeakPolarHBondContact O-CB 3.47Å; N36-N195 PolarHBondContact O-ND2 3.36Å; N36-S199 WeakPolarHBondContact CB-OG 3.35Å; N36-S199 VanDerWaalsContact CG-OG 3.31Å; N36-S199 PolarHBondContact ND2-OG 3.5Å; N36-I257 WeakPolarHBondContact OD1-CD1 3.44Å; N36-I257 VanDerWaalsContact OD1-CG2 3.23Å; N36-I257 WeakPolarHBondContact OD1-CG2 3.49Å |
| 37 | S | 80.2 | Confident | 81.7 | Confident | 17 Ų | 17 | 63.7 Ų | 63.7 | 12% | 0.119 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -87.8 | -35.2 | -169.9 | -55.4 | 0 | 0 | 0 | 0 | 113.9 | W33 I34 P42 W192 | W33-S37 WeakPolarHBondContact O-CB 3.28Å; W33-S37 PolarHBondContact O-N 2.92Å; W33-S37 PolarHBondContact O-OG 3.23Å; I34-S37 PolarHBondContact O-N 3.47Å; S37-P42 WeakPolarHBondContact O-CG 3.24Å; S37-W192 PolarHBondContact O-NE1 3.4Å |
| 38 | I | 79.2 | Confident | 82.3 | Confident | 119 Ų | 119 | 60.3 Ų | 60.3 | 61% | 0.61 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -110.1 | -20.6 | -165.5 | -56.7 | -176.2 | 0 | 0 | 0 | 113.2 | I34 | I34-I38 HydrophobicContact CG2-CD1 4.26Å; I34-I38 PolarHBondContact O-N 3.42Å |
| 39 | T | 73.8 | Confident | 83.2 | Confident | 23 Ų | 23 | 59.7 Ų | 59.7 | 14% | 0.141 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -81.3 | -66.9 | -160 | -30.8 | 0 | 0 | 0 | 0 | 115.6 | Q35 N43 | Q35-T39 VanDerWaalsContact C-OG1 3.31Å; Q35-T39 WeakPolarHBondContact CA-OG1 3.48Å; Q35-T39 WeakPolarHBondContact O-CB 3.44Å; Q35-T39 PolarHBondContact O-OG1 3.15Å; T39-N43 PolarHBondContact O-ND2 3.29Å |
| 40 | W | 79.4 | Confident | 84.1 | Confident | 134 Ų | 134 | 53.4 Ų | 53.4 | 51% | 0.508 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -119.5 | -41.1 | -168.2 | -74.6 | 91.7 | 0 | 0 | 0 | 113.8 | N43 L44 | W40-N43 PolarHBondContact O-N 3.47Å; W40-L44 PolarHBondContact O-N 3.01Å |
| 41 | S | 83.5 | Confident | 84.6 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.8 | -41.8 | -173 | -52 | 0 | 0 | 0 | 0 | 114.1 | N43 L44 N195 | S41-N43 VanDerWaalsContact C-N 3.29Å; S41-N43 PolarHBondContact O-N 2.59Å; S41-L44 PolarHBondContact O-N 2.67Å; S41-N195 PolarHBondContact OG-ND2 3.21Å |
| 42 | P | 86.3 | Confident | 85.1 | Confident | 22 Ų | 22 | 56.3 Ų | 56.3 | 14% | 0.143 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.3 | -38.8 | 174.6 | -19.7 | 29.7 | 0 | 0 | 0 | 112.5 | S37 L44 I45 L46 W192 | S37-P42 WeakPolarHBondContact O-CG 3.24Å; P42-L44 VanDerWaalsContact C-N 3.27Å; P42-L44 PolarHBondContact O-N 3.42Å; P42-I45 WeakPolarHBondContact O-CB 3.24Å; P42-I45 PolarHBondContact O-N 3.31Å; P42-L46 PolarHBondContact O-N 3.25Å; P42-L46 VanDerWaalsContact O-N 3.13Å; P42-W192 HydrophobicContact CG-CD2 4.48Å; P42-W192 HydrophobicContact CG-CG 4.45Å; P42-W192 HydrophobicContact CG-CZ2 4.48Å |
| 43 | N | 88.1 | Confident | 85.8 | Confident | 88 Ų | 88 | 61.3 Ų | 61.3 | 47% | 0.471 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.6 | -33.3 | -179.6 | -67.7 | -35 | 0 | 0 | 0 | 111.7 | T39 W40 S41 I45 L46 F47 | T39-N43 PolarHBondContact O-ND2 3.29Å; W40-N43 PolarHBondContact O-N 3.47Å; S41-N43 VanDerWaalsContact C-N 3.29Å; S41-N43 PolarHBondContact O-N 2.59Å; N43-I45 PolarHBondContact O-N 2.81Å; N43-L46 PolarHBondContact O-N 3.37Å; N43-F47 WeakPolarHBondContact O-CB 3.35Å; N43-F47 PolarHBondContact O-N 2.68Å |
| 44 | L | 86.9 | Confident | 86.2 | Confident | 35 Ų | 35 | 56.8 Ų | 56.8 | 18% | 0.183 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68 | -17.3 | 173.8 | -81.6 | 159.3 | 0 | 0 | 0 | 113.8 | W40 S41 P42 P48 M170 M187 | W40-L44 PolarHBondContact O-N 3.01Å; S41-L44 PolarHBondContact O-N 2.67Å; P42-L44 VanDerWaalsContact C-N 3.27Å; P42-L44 PolarHBondContact O-N 3.42Å; L44-P48 WeakPolarHBondContact O-CD 3.39Å; L44-P48 WeakPolarHBondContact O-CG 3.09Å; L44-M170 HydrophobicContact CD2-CE 4.37Å; L44-M187 HydrophobicContact CD2-CE 4.49Å |
| 45 | I | 90.8 | Very high | 86.4 | Confident | 49 Ų | 49 | 60.4 Ų | 60.4 | 25% | 0.251 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -86.6 | -44.9 | 173.8 | -54.9 | 168.5 | 0 | 0 | 0 | 109.9 | P42 N43 P48 G188 A189 W192 | P42-I45 WeakPolarHBondContact O-CB 3.24Å; P42-I45 PolarHBondContact O-N 3.31Å; N43-I45 PolarHBondContact O-N 2.81Å; I45-P48 WeakPolarHBondContact O-CD 3.38Å; I45-P48 WeakPolarHBondContact O-CG 3.32Å; I45-G188 VanDerWaalsContact CG1-C 3.41Å; I45-A189 HydrophobicContact CD1-CB 4.32Å; I45-W192 HydrophobicContact CD1-CB 4.21Å; I45-W192 HydrophobicContact CD1-CD2 4.32Å; I45-W192 HydrophobicContact CD1-CE3 3.77Å |
| 46 | L | 90.2 | Very high | 86.9 | Confident | 101 Ų | 101 | 63 Ų | 63 | 53% | 0.529 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -69.5 | -37.5 | -178.9 | -65.3 | 173.9 | 0 | 0 | 0 | 112.4 | P42 N43 F49 V50 | P42-L46 PolarHBondContact O-N 3.25Å; P42-L46 VanDerWaalsContact O-N 3.13Å; N43-L46 PolarHBondContact O-N 3.37Å; L46-F49 WeakPolarHBondContact O-CB 3.36Å; L46-F49 PolarHBondContact O-N 3.33Å; L46-V50 WeakPolarHBondContact O-CG2 3.44Å; L46-V50 PolarHBondContact O-N 3Å |
| 47 | F | 89.7 | Confident | 87.2 | Confident | 105 Ų | 105 | 71.1 Ų | 71.1 | 46% | 0.461 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.2 | -51.7 | -176.7 | -171 | -96.4 | 0 | 0 | 0 | 114.2 | N43 F49 V50 A51 M60 I64 | N43-F47 WeakPolarHBondContact O-CB 3.35Å; N43-F47 PolarHBondContact O-N 2.68Å; F47-F49 VanDerWaalsContact C-N 3.27Å; F47-F49 PolarHBondContact O-N 2.98Å; F47-V50 PolarHBondContact O-N 2.92Å; F47-A51 WeakPolarHBondContact O-CB 3.4Å; F47-A51 PolarHBondContact O-N 3.49Å; F47-M60 HydrophobicContact CD1-CE 3.9Å; F47-M60 HydrophobicContact CD2-CE 3.88Å; F47-M60 HydrophobicContact CE1-CE 3.36Å; F47-M60 HydrophobicContact CE2-CE 3.35Å; F47-M60 HydrophobicContact CG-CE 4.15Å; F47-M60 HydrophobicContact CZ-CE 3.07Å; F47-I64 HydrophobicContact CD2-CD1 4.38Å; F47-I64 HydrophobicContact CE2-CD1 3.67Å; F47-I64 HydrophobicContact CZ-CD1 4.49Å |
| 48 | P | 90.4 | Very high | 87.8 | Confident | 5 Ų | 5 | 78.1 Ų | 78.1 | 3% | 0.032 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.6 | -28.9 | 176.7 | 25.6 | -34.5 | 0 | 0 | 0 | 112.8 | L44 I45 A51 W52 Y181 L184 A185 | L44-P48 WeakPolarHBondContact O-CD 3.39Å; L44-P48 WeakPolarHBondContact O-CG 3.09Å; I45-P48 WeakPolarHBondContact O-CD 3.38Å; I45-P48 WeakPolarHBondContact O-CG 3.32Å; P48-A51 PolarHBondContact O-N 3.49Å; P48-W52 VanDerWaalsContact O-CB 3.3Å; P48-W52 WeakPolarHBondContact O-CB 3.39Å; P48-W52 PolarHBondContact O-N 3.3Å; P48-Y181 HydrophobicContact CB-CD1 4.4Å; P48-Y181 WeakPolarHBondContact CB-O 3.43Å; P48-Y181 WeakPolarHBondContact O-CD1 3.28Å; P48-L184 HydrophobicContact CB-CB 3.93Å; P48-L184 HydrophobicContact CB-CD1 4.47Å; P48-L184 HydrophobicContact CG-CB 4.01Å; P48-A185 HydrophobicContact CG-CB 4.02Å |
| 49 | F | 90.3 | Very high | 88.4 | Confident | 121 Ų | 121 | 75.9 Ų | 75.9 | 53% | 0.531 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.4 | -47 | 174.3 | 179.6 | -103.2 | 0 | 0 | 0 | 111.7 | L46 F47 A51 W52 L53 | L46-F49 WeakPolarHBondContact O-CB 3.36Å; L46-F49 PolarHBondContact O-N 3.33Å; F47-F49 VanDerWaalsContact C-N 3.27Å; F47-F49 PolarHBondContact O-N 2.98Å; F49-A51 VanDerWaalsContact C-N 3.31Å; F49-A51 PolarHBondContact O-N 3.39Å; F49-W52 HydrophobicContact CE2-CE3 4.45Å; F49-W52 PolarHBondContact O-N 3.41Å; F49-L53 HydrophobicContact CD1-CD1 4.05Å; F49-L53 HydrophobicContact CE1-CD1 3.52Å; F49-L53 HydrophobicContact CE1-CG 4.31Å; F49-L53 HydrophobicContact CZ-CD1 3.88Å; F49-L53 HydrophobicContact CZ-CG 4.34Å; F49-L53 WeakPolarHBondContact O-CG 3.11Å; F49-L53 PolarHBondContact O-N 3.06Å |
| 50 | V | 91.1 | Very high | 89.2 | Confident | 43 Ų | 43 | 76.1 Ų | 76.1 | 26% | 0.261 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 174.2 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | L46 F47 W52 L53 C54 V63 | L46-V50 WeakPolarHBondContact O-CG2 3.44Å; L46-V50 PolarHBondContact O-N 3Å; F47-V50 PolarHBondContact O-N 2.92Å; V50-W52 VanDerWaalsContact C-N 3.33Å; V50-W52 PolarHBondContact O-N 2.95Å; V50-L53 PolarHBondContact O-N 3.27Å; V50-C54 WeakPolarHBondContact O-CB 3.45Å; V50-C54 PolarHBondContact O-N 3.14Å; V50-C54 PolarHBondContact O-SG 3.02Å; V50-V63 HydrophobicContact CG1-CG1 3.88Å |
| 51 | A | 90.6 | Very high | 89.7 | Confident | 12 Ų | 12 | 72.7 Ų | 72.7 | 10% | 0.099 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F47 P48 F49 C54 Q55 M60 Y181 | F47-A51 WeakPolarHBondContact O-CB 3.4Å; F47-A51 PolarHBondContact O-N 3.49Å; P48-A51 PolarHBondContact O-N 3.49Å; F49-A51 VanDerWaalsContact C-N 3.31Å; F49-A51 PolarHBondContact O-N 3.39Å; A51-C54 PolarHBondContact O-N 3.41Å; A51-Q55 PolarHBondContact O-N 3.47Å; A51-M60 HydrophobicContact CB-CE 3.64Å; A51-M60 HydrophobicContact CB-SD 3.67Å; A51-Y181 HydrophobicContact CB-CD1 4.08Å; A51-Y181 HydrophobicContact CB-CE1 3.62Å |
| 52 | W | 90.3 | Very high | 90.1 | Very high | 132 Ų | 132 | 77.4 Ų | 77.4 | 50% | 0.5 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.4 | -35.2 | 175.1 | 178.2 | 78.8 | 0 | 0 | 0 | 112.8 | P48 F49 V50 Q55 Y181 | P48-W52 VanDerWaalsContact O-CB 3.3Å; P48-W52 WeakPolarHBondContact O-CB 3.39Å; P48-W52 PolarHBondContact O-N 3.3Å; F49-W52 HydrophobicContact CE2-CE3 4.45Å; F49-W52 PolarHBondContact O-N 3.41Å; V50-W52 VanDerWaalsContact C-N 3.33Å; V50-W52 PolarHBondContact O-N 2.95Å; W52-Q55 WeakPolarHBondContact O-CG 3.32Å; W52-Q55 PolarHBondContact O-NE2 3.41Å; W52-Y181 HydrophobicContact CB-CD1 3.94Å; W52-Y181 HydrophobicContact CB-CD2 4.37Å; W52-Y181 HydrophobicContact CB-CE1 4.24Å; W52-Y181 HydrophobicContact CB-CG 4.01Å; W52-Y181 AromaticContact CD1-CD2 3.96Å |
| 53 | L | 91.1 | Very high | 90.4 | Very high | 105 Ų | 105 | 79.3 Ų | 79.3 | 55% | 0.55 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -70.3 | -37.6 | 173.8 | -70.8 | 175.9 | 0 | 0 | 0 | 112.6 | F49 V50 | F49-L53 HydrophobicContact CD1-CD1 4.05Å; F49-L53 HydrophobicContact CE1-CD1 3.52Å; F49-L53 HydrophobicContact CE1-CG 4.31Å; F49-L53 HydrophobicContact CZ-CD1 3.88Å; F49-L53 HydrophobicContact CZ-CG 4.34Å; F49-L53 WeakPolarHBondContact O-CG 3.11Å; F49-L53 PolarHBondContact O-N 3.06Å; V50-L53 PolarHBondContact O-N 3.27Å |
| 54 | C | 92.1 | Very high | 90.4 | Very high | 24 Ų | 24 | 78.2 Ų | 78.2 | 16% | 0.162 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -77.6 | -37.1 | -175.9 | -65.4 | 0 | 0 | 0 | 0 | 112.7 | V50 A51 D56 T59 M60 | V50-C54 WeakPolarHBondContact O-CB 3.45Å; V50-C54 PolarHBondContact O-N 3.14Å; V50-C54 PolarHBondContact O-SG 3.02Å; A51-C54 PolarHBondContact O-N 3.41Å; C54-D56 PolarHBondContact O-N 3.01Å; C54-T59 HydrophobicContact CB-CG2 4.17Å; C54-M60 HydrophobicContact CB-CB 3.97Å |
| 55 | Q | 88.1 | Confident | 90.5 | Very high | 124 Ų | 124 | 79.4 Ų | 79.4 | 58% | 0.579 | 40% | 0.399 | S | S | * | . | trans | 57.4 | -21.2 | -173.9 | -62.2 | -71.4 | -33.2 | 0 | 0 | 115.9 | A51 W52 | A51-Q55 PolarHBondContact O-N 3.47Å; W52-Q55 WeakPolarHBondContact O-CG 3.32Å; W52-Q55 PolarHBondContact O-NE2 3.41Å | ||
| 56 | D | 90.6 | Very high | 90.5 | Very high | 64 Ų | 64 | 79.6 Ų | 79.6 | 34% | 0.342 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -115.8 | 140.2 | 175.8 | 176.9 | 60.4 | 0 | 0 | 0 | 111.9 | C54 R58 T59 M60 | C54-D56 PolarHBondContact O-N 3.01Å; D56-R58 VanDerWaalsContact C-N 3.32Å; D56-R58 PolarHBondContact O-N 3.49Å; D56-R58 WeakPolarHBondContact OD2-CA 3.32Å; D56-R58 WeakPolarHBondContact OD2-CB 3.45Å; D56-R58 PolarHBondContact OD2-N 2.87Å; D56-T59 PolarHBondContact OD2-N 3.31Å; D56-M60 WeakPolarHBondContact O-CB 3.39Å; D56-M60 PolarHBondContact O-N 2.96Å |
| 57 | W | 88.9 | Confident | 90.4 | Very high | 170 Ų | 170 | 78.2 Ų | 78.2 | 64% | 0.644 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -69.8 | -26.6 | -176.5 | 70.3 | -89.7 | 0 | 0 | 0 | 113 | S61 | W57-S61 WeakPolarHBondContact O-CB 3.31Å; W57-S61 PolarHBondContact O-N 3.09Å; W57-S61 PolarHBondContact O-OG 3.09Å |
| 58 | R | 91.7 | Very high | 90.3 | Very high | 164 Ų | 164 | 76.2 Ų | 76.2 | 62% | 0.619 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -74.4 | -48.5 | 178.4 | -53.1 | 178 | 173 | -130.1 | 1.4 | 109.7 | D56 M60 S61 V62 | D56-R58 VanDerWaalsContact C-N 3.32Å; D56-R58 PolarHBondContact O-N 3.49Å; D56-R58 WeakPolarHBondContact OD2-CA 3.32Å; D56-R58 WeakPolarHBondContact OD2-CB 3.45Å; D56-R58 PolarHBondContact OD2-N 2.87Å; R58-M60 VanDerWaalsContact C-N 3.28Å; R58-M60 PolarHBondContact O-N 3.12Å; R58-S61 WeakPolarHBondContact O-CB 3.45Å; R58-S61 PolarHBondContact O-N 3.28Å; R58-S61 VanDerWaalsContact O-N 3.11Å; R58-V62 WeakPolarHBondContact O-CG2 3.48Å; R58-V62 PolarHBondContact O-N 3.17Å |
| 59 | T | 92.6 | Very high | 90.3 | Very high | 71 Ų | 71 | 80.9 Ų | 80.9 | 44% | 0.436 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -56.8 | -46.2 | 174.5 | -55 | 0 | 0 | 0 | 0 | 110.5 | C54 D56 S61 V62 V63 | C54-T59 HydrophobicContact CB-CG2 4.17Å; D56-T59 PolarHBondContact OD2-N 3.31Å; T59-S61 VanDerWaalsContact C-N 3.33Å; T59-S61 PolarHBondContact O-N 2.98Å; T59-V62 PolarHBondContact O-N 3.32Å; T59-V62 VanDerWaalsContact O-N 3.17Å; T59-V63 WeakPolarHBondContact O-CG2 3.44Å; T59-V63 PolarHBondContact O-N 3.05Å |
| 60 | M | 91.3 | Very high | 90.2 | Very high | 29 Ų | 29 | 78.1 Ų | 78.1 | 14% | 0.143 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -58.6 | -42.9 | 175.6 | -174.8 | -177.9 | 178.1 | 0 | 0 | 112.5 | F47 A51 C54 D56 R58 V62 V63 I64 | F47-M60 HydrophobicContact CD1-CE 3.9Å; F47-M60 HydrophobicContact CD2-CE 3.88Å; F47-M60 HydrophobicContact CE1-CE 3.36Å; F47-M60 HydrophobicContact CE2-CE 3.35Å; F47-M60 HydrophobicContact CG-CE 4.15Å; F47-M60 HydrophobicContact CZ-CE 3.07Å; A51-M60 HydrophobicContact CB-CE 3.64Å; A51-M60 HydrophobicContact CB-SD 3.67Å; C54-M60 HydrophobicContact CB-CB 3.97Å; D56-M60 WeakPolarHBondContact O-CB 3.39Å; D56-M60 PolarHBondContact O-N 2.96Å; R58-M60 VanDerWaalsContact C-N 3.28Å; R58-M60 PolarHBondContact O-N 3.12Å; M60-V62 VanDerWaalsContact C-N 3.34Å; M60-V62 PolarHBondContact O-N 3.11Å; M60-V63 PolarHBondContact O-N 2.9Å; M60-I64 HydrophobicContact CE-CD1 4Å; M60-I64 HydrophobicContact CG-CD1 3.93Å; M60-I64 WeakPolarHBondContact O-CD1 3.38Å; M60-I64 VanDerWaalsContact O-CG1 3.29Å; M60-I64 WeakPolarHBondContact O-CG1 3.49Å; M60-I64 PolarHBondContact O-N 3.28Å |
| 61 | S | 89.5 | Confident | 89.9 | Confident | 62 Ų | 62 | 80.4 Ų | 80.4 | 43% | 0.434 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.1 | -39.7 | 177.2 | -60.7 | 0 | 0 | 0 | 0 | 112.1 | W57 R58 T59 A65 | W57-S61 WeakPolarHBondContact O-CB 3.31Å; W57-S61 PolarHBondContact O-N 3.09Å; W57-S61 PolarHBondContact O-OG 3.09Å; R58-S61 WeakPolarHBondContact O-CB 3.45Å; R58-S61 PolarHBondContact O-N 3.28Å; R58-S61 VanDerWaalsContact O-N 3.11Å; T59-S61 VanDerWaalsContact C-N 3.33Å; T59-S61 PolarHBondContact O-N 2.98Å; S61-A65 WeakPolarHBondContact O-CB 3.43Å; S61-A65 PolarHBondContact O-N 3.34Å |
| 62 | V | 91.4 | Very high | 89.8 | Confident | 99 Ų | 99 | 86.2 Ų | 86.2 | 60% | 0.6 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -65.8 | -44.3 | 176.4 | 173.5 | 0 | 0 | 0 | 0 | 111 | R58 T59 M60 I64 A65 A66 | R58-V62 WeakPolarHBondContact O-CG2 3.48Å; R58-V62 PolarHBondContact O-N 3.17Å; T59-V62 PolarHBondContact O-N 3.32Å; T59-V62 VanDerWaalsContact O-N 3.17Å; M60-V62 VanDerWaalsContact C-N 3.34Å; M60-V62 PolarHBondContact O-N 3.11Å; V62-I64 VanDerWaalsContact C-N 3.34Å; V62-I64 PolarHBondContact O-N 3.21Å; V62-A65 PolarHBondContact O-N 3.11Å; V62-A66 WeakPolarHBondContact O-CB 3.49Å; V62-A66 PolarHBondContact O-N 3.37Å |
| 63 | V | 91.8 | Very high | 89.9 | Confident | 62 Ų | 62 | 84.5 Ų | 84.5 | 38% | 0.376 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 178.3 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | V50 T59 M60 A66 S67 | V50-V63 HydrophobicContact CG1-CG1 3.88Å; T59-V63 WeakPolarHBondContact O-CG2 3.44Å; T59-V63 PolarHBondContact O-N 3.05Å; M60-V63 PolarHBondContact O-N 2.9Å; V63-A66 PolarHBondContact O-N 3.27Å; V63-S67 PolarHBondContact O-N 3.35Å |
| 64 | I | 89.1 | Confident | 89.7 | Confident | 66 Ų | 66 | 82.1 Ų | 82.1 | 34% | 0.338 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.4 | -38.9 | 176.7 | -65.9 | 164.1 | 0 | 0 | 0 | 111.6 | F47 M60 V62 A66 S67 S68 | F47-I64 HydrophobicContact CD2-CD1 4.38Å; F47-I64 HydrophobicContact CE2-CD1 3.67Å; F47-I64 HydrophobicContact CZ-CD1 4.49Å; M60-I64 HydrophobicContact CE-CD1 4Å; M60-I64 HydrophobicContact CG-CD1 3.93Å; M60-I64 WeakPolarHBondContact O-CD1 3.38Å; M60-I64 VanDerWaalsContact O-CG1 3.29Å; M60-I64 WeakPolarHBondContact O-CG1 3.49Å; M60-I64 PolarHBondContact O-N 3.28Å; V62-I64 VanDerWaalsContact C-N 3.34Å; V62-I64 PolarHBondContact O-N 3.21Å; I64-A66 VanDerWaalsContact C-N 3.35Å; I64-S67 PolarHBondContact O-N 2.84Å; I64-S67 PolarHBondContact O-OG 3.4Å; I64-S68 PolarHBondContact O-N 3.29Å; I64-S68 VanDerWaalsContact O-N 3.17Å; I64-S68 PolarHBondContact O-OG 2.87Å |
| 65 | A | 89.1 | Confident | 89.4 | Confident | 60 Ų | 60 | 84.6 Ų | 84.6 | 50% | 0.496 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | S61 V62 S68 I69 | S61-A65 WeakPolarHBondContact O-CB 3.43Å; S61-A65 PolarHBondContact O-N 3.34Å; V62-A65 PolarHBondContact O-N 3.11Å; A65-S68 WeakPolarHBondContact O-CB 3.36Å; A65-S68 PolarHBondContact O-N 2.92Å; A65-I69 PolarHBondContact O-N 3.06Å |
| 66 | A | 90.9 | Very high | 89.4 | Confident | 53 Ų | 53 | 84.5 Ų | 84.5 | 44% | 0.438 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | V62 V63 I64 S68 I69 | V62-A66 WeakPolarHBondContact O-CB 3.49Å; V62-A66 PolarHBondContact O-N 3.37Å; V63-A66 PolarHBondContact O-N 3.27Å; I64-A66 VanDerWaalsContact C-N 3.35Å; A66-S68 PolarHBondContact O-N 3.09Å; A66-I69 VanDerWaalsContact O-CB 3.31Å; A66-I69 WeakPolarHBondContact O-CB 3.37Å; A66-I69 PolarHBondContact O-N 3.03Å; A66-I69 VanDerWaalsContact O-N 3.09Å |
| 67 | S | 87.8 | Confident | 89.2 | Confident | 71 Ų | 71 | 88.4 Ų | 88.4 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.3 | -28.7 | 176.2 | 70.4 | 0 | 0 | 0 | 0 | 112.6 | V63 I64 I69 A70 | V63-S67 PolarHBondContact O-N 3.35Å; I64-S67 PolarHBondContact O-N 2.84Å; I64-S67 PolarHBondContact O-OG 3.4Å; S67-I69 PolarHBondContact O-N 2.96Å; S67-A70 PolarHBondContact O-N 3.45Å |
| 68 | S | 87.4 | Confident | 89 | Confident | 64 Ų | 64 | 85.1 Ų | 85.1 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.2 | -23.5 | 175.2 | -56.7 | 0 | 0 | 0 | 0 | 113.1 | I64 A65 A66 A70 T71 F72 | I64-S68 PolarHBondContact O-N 3.29Å; I64-S68 VanDerWaalsContact O-N 3.17Å; I64-S68 PolarHBondContact O-OG 2.87Å; A65-S68 WeakPolarHBondContact O-CB 3.36Å; A65-S68 PolarHBondContact O-N 2.92Å; A66-S68 PolarHBondContact O-N 3.09Å; S68-A70 VanDerWaalsContact C-N 3.35Å; S68-T71 PolarHBondContact O-N 3.05Å; S68-F72 PolarHBondContact O-N 2.98Å |
| 69 | I | 90.6 | Very high | 88.7 | Confident | 102 Ų | 102 | 79.9 Ų | 79.9 | 52% | 0.523 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 174.8 | -59.9 | 173.3 | 0 | 0 | 0 | 110.3 | A65 A66 S67 T71 F72 L73 | A65-I69 PolarHBondContact O-N 3.06Å; A66-I69 VanDerWaalsContact O-CB 3.31Å; A66-I69 WeakPolarHBondContact O-CB 3.37Å; A66-I69 PolarHBondContact O-N 3.03Å; A66-I69 VanDerWaalsContact O-N 3.09Å; S67-I69 PolarHBondContact O-N 2.96Å; I69-T71 VanDerWaalsContact C-N 3.31Å; I69-T71 PolarHBondContact O-N 3.26Å; I69-F72 WeakPolarHBondContact O-CB 3.34Å; I69-F72 PolarHBondContact O-N 3.13Å; I69-F72 VanDerWaalsContact O-N 3.17Å; I69-L73 HydrophobicContact CG2-CD1 4.3Å; I69-L73 HydrophobicContact CG2-CG 4.44Å; I69-L73 WeakPolarHBondContact O-CG 3.34Å; I69-L73 PolarHBondContact O-N 2.8Å |
| 70 | A | 88.3 | Confident | 88.4 | Confident | 64 Ų | 64 | 81 Ų | 81 | 53% | 0.529 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S67 S68 L73 A74 | S67-A70 PolarHBondContact O-N 3.45Å; S68-A70 VanDerWaalsContact C-N 3.35Å; A70-L73 PolarHBondContact O-N 2.92Å; A70-A74 WeakPolarHBondContact O-CB 3.11Å; A70-A74 PolarHBondContact O-N 3.29Å |
| 71 | T | 85.6 | Confident | 88.1 | Confident | 91 Ų | 91 | 79.7 Ų | 79.7 | 56% | 0.558 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.2 | -42.6 | 174.1 | -54.5 | 0 | 0 | 0 | 0 | 111.8 | S68 I69 L73 A74 C75 | S68-T71 PolarHBondContact O-N 3.05Å; I69-T71 VanDerWaalsContact C-N 3.31Å; I69-T71 PolarHBondContact O-N 3.26Å; T71-L73 PolarHBondContact O-N 3.06Å; T71-A74 WeakPolarHBondContact O-CB 3.19Å; T71-A74 PolarHBondContact O-N 3.12Å; T71-C75 PolarHBondContact O-N 3.26Å; T71-C75 PolarHBondContact O-SG 3.24Å; T71-C75 VanDerWaalsContact O-SG 3.37Å |
| 72 | F | 88.7 | Confident | 87.9 | Confident | 133 Ų | 133 | 77.1 Ų | 77.1 | 58% | 0.583 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60.8 | -44.9 | 176.6 | 176.6 | -99 | 0 | 0 | 0 | 112 | S68 I69 A74 C75 L76 | S68-F72 PolarHBondContact O-N 2.98Å; I69-F72 WeakPolarHBondContact O-CB 3.34Å; I69-F72 PolarHBondContact O-N 3.13Å; I69-F72 VanDerWaalsContact O-N 3.17Å; F72-A74 VanDerWaalsContact C-N 3.32Å; F72-A74 PolarHBondContact O-N 3.23Å; F72-C75 WeakPolarHBondContact O-CB 3.31Å; F72-C75 PolarHBondContact O-N 2.51Å; F72-L76 HydrophobicContact CE1-CD1 4.32Å; F72-L76 PolarHBondContact O-N 2.89Å |
| 73 | L | 91.3 | Very high | 87.3 | Confident | 97 Ų | 97 | 76.8 Ų | 76.8 | 51% | 0.508 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.9 | -39.7 | 175.4 | -67.1 | 175 | 0 | 0 | 0 | 111.7 | I69 A70 T71 C75 L76 | I69-L73 HydrophobicContact CG2-CD1 4.3Å; I69-L73 HydrophobicContact CG2-CG 4.44Å; I69-L73 WeakPolarHBondContact O-CG 3.34Å; I69-L73 PolarHBondContact O-N 2.8Å; A70-L73 PolarHBondContact O-N 2.92Å; T71-L73 PolarHBondContact O-N 3.06Å; L73-C75 VanDerWaalsContact C-N 3.3Å; L73-C75 PolarHBondContact O-N 3.44Å; L73-L76 HydrophobicContact CD2-CD1 4.23Å; L73-L76 WeakPolarHBondContact O-CB 3.33Å; L73-L76 PolarHBondContact O-N 2.98Å; L73-L76 VanDerWaalsContact O-N 3.15Å |
| 74 | A | 87.4 | Confident | 86.9 | Confident | 55 Ų | 55 | 78.3 Ų | 78.3 | 46% | 0.455 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.9 | -36.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | A70 T71 F72 L76 I77 L78 | A70-A74 WeakPolarHBondContact O-CB 3.11Å; A70-A74 PolarHBondContact O-N 3.29Å; T71-A74 WeakPolarHBondContact O-CB 3.19Å; T71-A74 PolarHBondContact O-N 3.12Å; F72-A74 VanDerWaalsContact C-N 3.32Å; F72-A74 PolarHBondContact O-N 3.23Å; A74-L76 PolarHBondContact O-N 2.85Å; A74-I77 PolarHBondContact O-N 2.98Å; A74-I77 VanDerWaalsContact O-N 3.15Å; A74-L78 PolarHBondContact O-N 3.09Å |
| 75 | C | 86.6 | Confident | 86.7 | Confident | 75 Ų | 75 | 75.3 Ų | 75.3 | 51% | 0.507 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.4 | -27.2 | 174.7 | -72.2 | 0 | 0 | 0 | 0 | 113.4 | T71 F72 L73 I77 L78 | T71-C75 PolarHBondContact O-N 3.26Å; T71-C75 PolarHBondContact O-SG 3.24Å; T71-C75 VanDerWaalsContact O-SG 3.37Å; F72-C75 WeakPolarHBondContact O-CB 3.31Å; F72-C75 PolarHBondContact O-N 2.51Å; L73-C75 VanDerWaalsContact C-N 3.3Å; L73-C75 PolarHBondContact O-N 3.44Å; C75-I77 PolarHBondContact O-N 3.49Å; C75-L78 PolarHBondContact O-N 3.37Å |
| 76 | L | 87.3 | Confident | 86.4 | Confident | 123 Ų | 123 | 74 Ų | 74 | 64% | 0.644 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -70.7 | -22.4 | 176.9 | -60.4 | 177.2 | 0 | 0 | 0 | 113 | F72 L73 A74 | F72-L76 HydrophobicContact CE1-CD1 4.32Å; F72-L76 PolarHBondContact O-N 2.89Å; L73-L76 HydrophobicContact CD2-CD1 4.23Å; L73-L76 WeakPolarHBondContact O-CB 3.33Å; L73-L76 PolarHBondContact O-N 2.98Å; L73-L76 VanDerWaalsContact O-N 3.15Å; A74-L76 PolarHBondContact O-N 2.85Å |
| 77 | I | 86.9 | Confident | 85.6 | Confident | 145 Ų | 145 | 76.7 Ų | 76.7 | 74% | 0.744 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -95 | -18.8 | -179.6 | -52.9 | 172.7 | 0 | 0 | 0 | 110.6 | A74 C75 E79 | A74-I77 PolarHBondContact O-N 2.98Å; A74-I77 VanDerWaalsContact O-N 3.15Å; C75-I77 PolarHBondContact O-N 3.49Å; I77-E79 PolarHBondContact O-N 3.3Å |
| 78 | L | 84.8 | Confident | 85.1 | Confident | 102 Ų | 102 | 79.6 Ų | 79.6 | 53% | 0.534 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 129.2 | -176.3 | -156.3 | 92 | 0 | 0 | 0 | 110.7 | F21 A74 C75 | F21-L78 HydrophobicContact CD1-CD2 4.21Å; F21-L78 HydrophobicContact CD2-CD2 4.45Å; F21-L78 HydrophobicContact CE1-CD1 4.2Å; F21-L78 HydrophobicContact CE1-CD2 3.51Å; F21-L78 HydrophobicContact CE1-CG 4.05Å; F21-L78 HydrophobicContact CE2-CD2 3.77Å; F21-L78 HydrophobicContact CZ-CD1 4.33Å; F21-L78 HydrophobicContact CZ-CD2 3.25Å; F21-L78 HydrophobicContact CZ-CG 3.71Å; A74-L78 PolarHBondContact O-N 3.09Å; C75-L78 PolarHBondContact O-N 3.37Å |
| 79 | E | 84.8 | Confident | 84.7 | Confident | 54 Ų | 54 | 78.4 Ų | 78.4 | 25% | 0.252 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -79 | 150.7 | 172 | -63.7 | -165.6 | 147.1 | 0 | 0 | 111.6 | F21 I77 S97 R100 | F21-E79 VanDerWaalsContact CE2-O 3.32Å; F21-E79 WeakPolarHBondContact CE2-O 3.29Å; F21-E79 VanDerWaalsContact CZ-O 3.27Å; F21-E79 WeakPolarHBondContact CZ-O 3.34Å; I77-E79 PolarHBondContact O-N 3.3Å; E79-S97 VanDerWaalsContact OE2-CA 3.23Å; E79-S97 WeakPolarHBondContact OE2-CA 3.3Å; E79-S97 VanDerWaalsContact OE2-CB 3.25Å; E79-S97 WeakPolarHBondContact OE2-CB 3.42Å; E79-S97 PolarHBondContact OE2-OG 2.93Å; E79-R100 VanDerWaalsContact OE1-CD 3.27Å; E79-R100 WeakPolarHBondContact OE1-CD 3.27Å; E79-R100 IonicContact OE1-CZ 3.13Å; E79-R100 IonicContact OE1-NE 3.4Å; E79-R100 PolarHBondContact OE1-NE 3Å; E79-R100 IonicContact OE1-NH1 3.7Å; E79-R100 PolarHBondContact OE1-NH1 3.34Å; E79-R100 IonicContact OE1-NH2 3.22Å |
| 80 | E | 85.8 | Confident | 84.5 | Confident | 94 Ų | 94 | 78.6 Ų | 78.6 | 44% | 0.439 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 152.7 | 176.1 | -164 | 55.8 | -125 | 0 | 0 | 111.4 | P82 W84 L85 | E80-P82 WeakPolarHBondContact O-CD 3.39Å; E80-W84 HydrophobicContact CG-CD2 4.21Å; E80-W84 HydrophobicContact CG-CE3 3.46Å; E80-W84 VanDerWaalsContact CG-CE3 3.46Å; E80-W84 HydrophobicContact CG-CZ3 3.77Å; E80-L85 HydrophobicContact CB-CD1 4.27Å; E80-L85 HydrophobicContact CB-CD2 4.33Å; E80-L85 HydrophobicContact CB-CG 4.25Å; E80-L85 HydrophobicContact CG-CD2 4.37Å; E80-L85 HydrophobicContact CG-CG 4.35Å |
| 81 | S | 84.7 | Confident | 84.5 | Confident | 1 Ų | 1 | 76.9 Ų | 76.9 | 1% | 0.007 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -57 | 124.9 | 179.7 | 167.5 | 0 | 0 | 0 | 0 | 111.7 | E24 R83 W84 L85 | E24-S81 VanDerWaalsContact OE2-CB 3.28Å; E24-S81 WeakPolarHBondContact OE2-CB 3.29Å; E24-S81 PolarHBondContact OE2-OG 3.33Å; S81-R83 PolarHBondContact O-N 3.17Å; S81-R83 VanDerWaalsContact O-N 3.14Å; S81-R83 PolarHBondContact OG-N 3.35Å; S81-W84 PolarHBondContact O-N 3.42Å; S81-L85 PolarHBondContact O-N 3.24Å |
| 82 | P | 85.3 | Confident | 84.6 | Confident | 9 Ų | 9 | 78.5 Ų | 78.5 | 6% | 0.058 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -56.1 | -34.2 | 176.6 | -27.8 | 34.5 | 0 | 0 | 0 | 113.2 | N25 E80 L85 I86 L98 I101 | N25-P82 WeakPolarHBondContact OD1-CD 3.42Å; E80-P82 WeakPolarHBondContact O-CD 3.39Å; P82-L85 PolarHBondContact O-N 3.12Å; P82-I86 WeakPolarHBondContact O-CD1 3.48Å; P82-I86 VanDerWaalsContact O-CG1 3.24Å; P82-I86 WeakPolarHBondContact O-CG1 3.38Å; P82-I86 PolarHBondContact O-N 3.27Å; P82-L98 HydrophobicContact CB-CD1 4.11Å; P82-L98 HydrophobicContact CB-CD2 3.77Å; P82-L98 HydrophobicContact CB-CG 3.73Å; P82-L98 HydrophobicContact CG-CD2 3.84Å; P82-L98 HydrophobicContact CG-CG 4.01Å; P82-I101 HydrophobicContact CG-CD1 3.92Å |
| 83 | R | 79.8 | Confident | 84.6 | Confident | 91 Ų | 91 | 76 Ų | 76 | 34% | 0.343 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67 | -40 | 177.7 | -68.2 | -173 | -179.8 | 142.5 | 15.6 | 112 | S81 Q87 | S81-R83 PolarHBondContact O-N 3.17Å; S81-R83 VanDerWaalsContact O-N 3.14Å; S81-R83 PolarHBondContact OG-N 3.35Å; R83-Q87 WeakPolarHBondContact O-CG 3.43Å; R83-Q87 PolarHBondContact O-N 2.91Å; R83-Q87 VanDerWaalsContact O-N 3.07Å |
| 84 | W | 82.8 | Confident | 84.4 | Confident | 94 Ų | 94 | 71.3 Ų | 71.3 | 36% | 0.356 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.9 | -42 | 176.7 | -178.7 | 95 | 0 | 0 | 0 | 111.2 | E80 S81 I86 Q87 K88 | E80-W84 HydrophobicContact CG-CD2 4.21Å; E80-W84 HydrophobicContact CG-CE3 3.46Å; E80-W84 VanDerWaalsContact CG-CE3 3.46Å; E80-W84 HydrophobicContact CG-CZ3 3.77Å; S81-W84 PolarHBondContact O-N 3.42Å; W84-I86 PolarHBondContact O-N 3.49Å; W84-Q87 PolarHBondContact O-N 2.95Å; W84-K88 HydrophobicContact CD2-CG 3.88Å; W84-K88 HydrophobicContact CE3-CG 4.09Å; W84-K88 HydrophobicContact CH2-CG 3.96Å; W84-K88 HydrophobicContact CZ2-CD 4.17Å; W84-K88 HydrophobicContact CZ2-CG 3.72Å; W84-K88 HydrophobicContact CZ3-CG 4.14Å; W84-K88 WeakPolarHBondContact O-CG 3.36Å; W84-K88 PolarHBondContact O-N 3.38Å |
| 85 | L | 84.6 | Confident | 84.5 | Confident | 4 Ų | 4 | 71.1 Ų | 71.1 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59 | -45.4 | 176.4 | -70.4 | 170.1 | 0 | 0 | 0 | 111.6 | E80 S81 P82 K88 G89 R90 E93 A94 | E80-L85 HydrophobicContact CB-CD1 4.27Å; E80-L85 HydrophobicContact CB-CD2 4.33Å; E80-L85 HydrophobicContact CB-CG 4.25Å; E80-L85 HydrophobicContact CG-CD2 4.37Å; E80-L85 HydrophobicContact CG-CG 4.35Å; S81-L85 PolarHBondContact O-N 3.24Å; P82-L85 PolarHBondContact O-N 3.12Å; L85-K88 PolarHBondContact O-N 3.44Å; L85-G89 PolarHBondContact O-N 3.04Å; L85-R90 HydrophobicContact CB-CB 4.42Å; L85-R90 HydrophobicContact CD2-CB 4.02Å; L85-R90 PolarHBondContact O-N 3.13Å; L85-E93 HydrophobicContact CD1-CB 4.04Å; L85-E93 HydrophobicContact CD2-CB 4.07Å; L85-A94 HydrophobicContact CB-CB 3.74Å; L85-A94 HydrophobicContact CD1-CB 4.48Å |
| 86 | I | 82.8 | Confident | 84.6 | Confident | 32 Ų | 32 | 74 Ų | 74 | 16% | 0.164 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59 | -50.5 | 174.1 | -67.4 | 164.9 | 0 | 0 | 0 | 110.7 | P82 W84 K88 G89 I91 A94 L120 E123 H127 | P82-I86 WeakPolarHBondContact O-CD1 3.48Å; P82-I86 VanDerWaalsContact O-CG1 3.24Å; P82-I86 WeakPolarHBondContact O-CG1 3.38Å; P82-I86 PolarHBondContact O-N 3.27Å; W84-I86 PolarHBondContact O-N 3.49Å; I86-K88 PolarHBondContact O-N 3.39Å; I86-K88 VanDerWaalsContact O-N 3.16Å; I86-G89 PolarHBondContact O-N 2.89Å; I86-I91 HydrophobicContact CG2-CD1 4.36Å; I86-A94 HydrophobicContact CD1-CB 4.36Å; I86-A94 HydrophobicContact CG1-CB 3.63Å; I86-L120 HydrophobicContact CD1-CD2 3.74Å; I86-L120 HydrophobicContact CG1-CD2 3.83Å; I86-E123 HydrophobicContact CG2-CB 4.19Å; I86-E123 HydrophobicContact CG2-CG 3.59Å; I86-H127 PolarHBondContact O-NE2 3.21Å; I86-H127 VanDerWaalsContact O-NE2 3.11Å |
| 87 | Q | 74.1 | Confident | 84.7 | Confident | 109 Ų | 109 | 68.4 Ų | 68.4 | 51% | 0.509 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.4 | -27.2 | 179.6 | -76.5 | -178.6 | 16.9 | 0 | 0 | 113.8 | R83 W84 G89 H127 | R83-Q87 WeakPolarHBondContact O-CG 3.43Å; R83-Q87 PolarHBondContact O-N 2.91Å; R83-Q87 VanDerWaalsContact O-N 3.07Å; W84-Q87 PolarHBondContact O-N 2.95Å; Q87-G89 VanDerWaalsContact C-N 3.34Å; Q87-H127 PolarHBondContact O-CE1 3.03Å |
| 88 | K | 77.4 | Confident | 84.7 | Confident | 132 Ų | 132 | 63.6 Ų | 63.6 | 57% | 0.574 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -2.9 | 175.8 | -70.2 | -65.4 | -175.4 | 177.2 | 0 | 113.7 | W84 L85 I86 R90 | W84-K88 HydrophobicContact CD2-CG 3.88Å; W84-K88 HydrophobicContact CE3-CG 4.09Å; W84-K88 HydrophobicContact CH2-CG 3.96Å; W84-K88 HydrophobicContact CZ2-CD 4.17Å; W84-K88 HydrophobicContact CZ2-CG 3.72Å; W84-K88 HydrophobicContact CZ3-CG 4.14Å; W84-K88 WeakPolarHBondContact O-CG 3.36Å; W84-K88 PolarHBondContact O-N 3.38Å; L85-K88 PolarHBondContact O-N 3.44Å; I86-K88 PolarHBondContact O-N 3.39Å; I86-K88 VanDerWaalsContact O-N 3.16Å; K88-R90 VanDerWaalsContact C-N 3.27Å; K88-R90 HydrophobicContact CB-CG 4.38Å |
| 89 | G | 80.1 | Confident | 84.9 | Confident | 40 Ų | 40 | 59.5 Ų | 59.5 | 41% | 0.412 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 11.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | L85 I86 Q87 I91 | L85-G89 PolarHBondContact O-N 3.04Å; I86-G89 PolarHBondContact O-N 2.89Å; Q87-G89 VanDerWaalsContact C-N 3.34Å; G89-I91 PolarHBondContact O-N 2.92Å; G89-I91 VanDerWaalsContact O-N 3.08Å |
| 90 | R | 86.1 | Confident | 85 | Confident | 105 Ų | 105 | 63.8 Ų | 63.8 | 40% | 0.396 | 29% | 0.288 | S | S | . | . | trans | -86.4 | 63.5 | 176.6 | -64.5 | 172.2 | 74.6 | -175.8 | 9.6 | 109.8 | L85 K88 E93 A94 | L85-R90 HydrophobicContact CB-CB 4.42Å; L85-R90 HydrophobicContact CD2-CB 4.02Å; L85-R90 PolarHBondContact O-N 3.13Å; K88-R90 VanDerWaalsContact C-N 3.27Å; K88-R90 HydrophobicContact CB-CG 4.38Å; R90-E93 HydrophobicContact CB-CB 4.4Å; R90-E93 VanDerWaalsContact CZ-CD 3.42Å; R90-E93 IonicContact CZ-OE1 3.29Å; R90-E93 IonicContact CZ-OE2 3.89Å; R90-E93 IonicContact NE-OE1 2.67Å; R90-E93 PolarHBondContact NE-OE1 2.86Å; R90-E93 IonicContact NE-OE2 2.94Å; R90-E93 PolarHBondContact NE-OE2 3.17Å; R90-E93 IonicContact NH1-OE2 3.45Å; R90-E93 IonicContact NH2-OE1 2.59Å; R90-E93 PolarHBondContact NH2-OE1 3.23Å; R90-E93 IonicContact NH2-OE2 2.77Å; R90-E93 PolarHBondContact NH2-OE2 3.22Å; R90-E93 PolarHBondContact O-N 3.37Å; R90-A94 PolarHBondContact O-N 2.94Å; R90-A94 VanDerWaalsContact O-N 3.13Å | ||
| 91 | I | 87.8 | Confident | 85 | Confident | 28 Ų | 28 | 62 Ų | 62 | 14% | 0.144 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.7 | -43.3 | -169.2 | -56.4 | -61.5 | 0 | 0 | 0 | 112.2 | I86 G89 E93 A94 R95 L120 A124 | I86-I91 HydrophobicContact CG2-CD1 4.36Å; G89-I91 PolarHBondContact O-N 2.92Å; G89-I91 VanDerWaalsContact O-N 3.08Å; I91-E93 VanDerWaalsContact C-N 3.29Å; I91-E93 PolarHBondContact O-N 3.23Å; I91-A94 WeakPolarHBondContact O-CB 3.49Å; I91-A94 PolarHBondContact O-N 2.94Å; I91-R95 PolarHBondContact O-N 3.4Å; I91-L120 HydrophobicContact CG2-CB 3.81Å; I91-L120 HydrophobicContact CG2-CD1 4.3Å; I91-L120 HydrophobicContact CG2-CD2 4.25Å; I91-L120 HydrophobicContact CG2-CG 4.34Å; I91-A124 HydrophobicContact CD1-CB 4.27Å; I91-A124 HydrophobicContact CG1-CB 3.89Å |
| 92 | E | 87.1 | Confident | 85 | Confident | 125 Ų | 125 | 66 Ų | 66 | 58% | 0.584 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61.7 | -36.7 | 178.8 | -73.4 | -55.2 | 141.7 | 0 | 0 | 113.3 | R95 K96 | E92-R95 WeakPolarHBondContact O-CB 3.17Å; E92-R95 PolarHBondContact O-N 3.1Å; E92-K96 WeakPolarHBondContact O-CG 3.43Å; E92-K96 PolarHBondContact O-N 3.33Å; E92-K96 VanDerWaalsContact O-N 3.08Å |
| 93 | E | 88.4 | Confident | 85 | Confident | 80 Ų | 80 | 71.3 Ų | 71.3 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -72.9 | -39.2 | 177.4 | -64.5 | -177.2 | -137.3 | 0 | 0 | 111.5 | L85 R90 I91 R95 K96 S97 | L85-E93 HydrophobicContact CD1-CB 4.04Å; L85-E93 HydrophobicContact CD2-CB 4.07Å; R90-E93 HydrophobicContact CB-CB 4.4Å; R90-E93 VanDerWaalsContact CZ-CD 3.42Å; R90-E93 IonicContact CZ-OE1 3.29Å; R90-E93 IonicContact CZ-OE2 3.89Å; R90-E93 IonicContact NE-OE1 2.67Å; R90-E93 PolarHBondContact NE-OE1 2.86Å; R90-E93 IonicContact NE-OE2 2.94Å; R90-E93 PolarHBondContact NE-OE2 3.17Å; R90-E93 IonicContact NH1-OE2 3.45Å; R90-E93 IonicContact NH2-OE1 2.59Å; R90-E93 PolarHBondContact NH2-OE1 3.23Å; R90-E93 IonicContact NH2-OE2 2.77Å; R90-E93 PolarHBondContact NH2-OE2 3.22Å; R90-E93 PolarHBondContact O-N 3.37Å; I91-E93 VanDerWaalsContact C-N 3.29Å; I91-E93 PolarHBondContact O-N 3.23Å; E93-R95 VanDerWaalsContact C-N 3.28Å; E93-R95 PolarHBondContact O-N 3.47Å; E93-K96 PolarHBondContact O-N 2.97Å; E93-S97 PolarHBondContact O-N 2.96Å |
| 94 | A | 87.4 | Confident | 85.3 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.9 | -42 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L85 I86 R90 I91 S97 L98 | L85-A94 HydrophobicContact CB-CB 3.74Å; L85-A94 HydrophobicContact CD1-CB 4.48Å; I86-A94 HydrophobicContact CD1-CB 4.36Å; I86-A94 HydrophobicContact CG1-CB 3.63Å; R90-A94 PolarHBondContact O-N 2.94Å; R90-A94 VanDerWaalsContact O-N 3.13Å; I91-A94 WeakPolarHBondContact O-CB 3.49Å; I91-A94 PolarHBondContact O-N 2.94Å; A94-S97 PolarHBondContact O-N 2.58Å; A94-L98 WeakPolarHBondContact O-CB 3.28Å; A94-L98 WeakPolarHBondContact O-CG 3.33Å; A94-L98 PolarHBondContact O-N 3.23Å |
| 95 | R | 89.2 | Confident | 85.2 | Confident | 50 Ų | 50 | 72 Ų | 72 | 19% | 0.189 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.5 | -52.6 | 174.9 | -170.7 | -169.2 | -167.9 | -87 | -1.2 | 111.2 | I91 E92 E93 S97 L98 I99 E113 L116 D117 L120 | I91-R95 PolarHBondContact O-N 3.4Å; E92-R95 WeakPolarHBondContact O-CB 3.17Å; E92-R95 PolarHBondContact O-N 3.1Å; E93-R95 VanDerWaalsContact C-N 3.28Å; E93-R95 PolarHBondContact O-N 3.47Å; R95-S97 VanDerWaalsContact C-N 3.33Å; R95-S97 PolarHBondContact O-N 2.93Å; R95-L98 PolarHBondContact O-N 3.41Å; R95-I99 HydrophobicContact CG-CD1 3.95Å; R95-I99 WeakPolarHBondContact O-CG1 3.42Å; R95-I99 PolarHBondContact O-N 2.81Å; R95-E113 IonicContact CZ-OE1 2.77Å; R95-E113 IonicContact NH1-OE1 3.63Å; R95-E113 PolarHBondContact NH1-OE1 3.07Å; R95-E113 IonicContact NH2-OE1 3.63Å; R95-E113 PolarHBondContact NH2-OE1 3.39Å; R95-L116 HydrophobicContact CG-CD2 4.36Å; R95-D117 IonicContact CZ-OD1 3Å; R95-D117 IonicContact CZ-OD2 2.63Å; R95-D117 IonicContact NE-OD1 3.89Å; R95-D117 PolarHBondContact NE-OD1 3.37Å; R95-D117 IonicContact NE-OD2 2.76Å; R95-D117 IonicContact NH2-OD1 2.97Å; R95-D117 PolarHBondContact NH2-OD1 2.84Å; R95-D117 IonicContact NH2-OD2 2.93Å; R95-D117 PolarHBondContact NH2-OD2 3.35Å; R95-L120 HydrophobicContact CB-CD1 3.67Å; R95-L120 HydrophobicContact CG-CD1 4Å |
| 96 | K | 89.8 | Confident | 85.2 | Confident | 137 Ų | 137 | 81 Ų | 81 | 60% | 0.596 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -58 | -44.3 | 179.7 | -74.2 | 175.5 | -176.5 | 178.3 | 0 | 112.1 | E92 E93 R100 | E92-K96 WeakPolarHBondContact O-CG 3.43Å; E92-K96 PolarHBondContact O-N 3.33Å; E92-K96 VanDerWaalsContact O-N 3.08Å; E93-K96 PolarHBondContact O-N 2.97Å; K96-R100 WeakPolarHBondContact O-CB 3.5Å; K96-R100 PolarHBondContact O-N 3.11Å |
| 97 | S | 88.8 | Confident | 85.2 | Confident | 5 Ų | 5 | 84.3 Ų | 84.3 | 4% | 0.035 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.9 | -45.4 | 179.5 | -175.4 | 0 | 0 | 0 | 0 | 112.1 | E79 E93 A94 R95 I99 R100 I101 | E79-S97 VanDerWaalsContact OE2-CA 3.23Å; E79-S97 WeakPolarHBondContact OE2-CA 3.3Å; E79-S97 VanDerWaalsContact OE2-CB 3.25Å; E79-S97 WeakPolarHBondContact OE2-CB 3.42Å; E79-S97 PolarHBondContact OE2-OG 2.93Å; E93-S97 PolarHBondContact O-N 2.96Å; A94-S97 PolarHBondContact O-N 2.58Å; R95-S97 VanDerWaalsContact C-N 3.33Å; R95-S97 PolarHBondContact O-N 2.93Å; S97-I99 PolarHBondContact O-N 2.84Å; S97-R100 PolarHBondContact O-N 2.98Å; S97-R100 VanDerWaalsContact O-N 3.13Å; S97-I101 VanDerWaalsContact O-CG1 3.31Å; S97-I101 WeakPolarHBondContact O-CG1 3.13Å; S97-I101 PolarHBondContact O-N 3.35Å |
| 98 | L | 87.7 | Confident | 85.8 | Confident | 43 Ų | 43 | 83.2 Ų | 83.2 | 23% | 0.225 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 178.4 | -73.4 | 167.5 | 0 | 0 | 0 | 113 | P82 A94 R95 R102 L116 | P82-L98 HydrophobicContact CB-CD1 4.11Å; P82-L98 HydrophobicContact CB-CD2 3.77Å; P82-L98 HydrophobicContact CB-CG 3.73Å; P82-L98 HydrophobicContact CG-CD2 3.84Å; P82-L98 HydrophobicContact CG-CG 4.01Å; A94-L98 WeakPolarHBondContact O-CB 3.28Å; A94-L98 WeakPolarHBondContact O-CG 3.33Å; A94-L98 PolarHBondContact O-N 3.23Å; R95-L98 PolarHBondContact O-N 3.41Å; L98-R102 WeakPolarHBondContact O-CB 3.3Å; L98-R102 PolarHBondContact O-N 3.34Å; L98-L116 HydrophobicContact CB-CD1 4.46Å; L98-L116 HydrophobicContact CB-CD2 3.88Å; L98-L116 HydrophobicContact CD1-CD1 3.55Å; L98-L116 HydrophobicContact CD1-CD2 4.4Å |
| 99 | I | 87.9 | Confident | 86.1 | Confident | 17 Ų | 17 | 80.6 Ų | 80.6 | 9% | 0.087 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 174.1 | -69.3 | 171.3 | 0 | 0 | 0 | 110.4 | R95 S97 R102 K103 Y108 E113 L116 | R95-I99 HydrophobicContact CG-CD1 3.95Å; R95-I99 WeakPolarHBondContact O-CG1 3.42Å; R95-I99 PolarHBondContact O-N 2.81Å; S97-I99 PolarHBondContact O-N 2.84Å; I99-R102 PolarHBondContact O-N 3.41Å; I99-K103 HydrophobicContact CG2-CD 4Å; I99-K103 HydrophobicContact CG2-CG 4.39Å; I99-K103 WeakPolarHBondContact O-CB 3.3Å; I99-K103 WeakPolarHBondContact O-CG 3.31Å; I99-K103 PolarHBondContact O-N 3.11Å; I99-Y108 HydrophobicContact CG2-CD2 4.26Å; I99-Y108 HydrophobicContact CG2-CE2 4.07Å; I99-E113 HydrophobicContact CD1-CG 4.31Å; I99-L116 HydrophobicContact CG1-CD2 4.15Å |
| 100 | R | 86.6 | Confident | 86.2 | Confident | 144 Ų | 144 | 85.3 Ų | 85.3 | 54% | 0.543 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 177.9 | -171.3 | 175.3 | -67.4 | 165.1 | 8.7 | 111.6 | E79 K96 S97 R102 K103 T104 | E79-R100 VanDerWaalsContact OE1-CD 3.27Å; E79-R100 WeakPolarHBondContact OE1-CD 3.27Å; E79-R100 IonicContact OE1-CZ 3.13Å; E79-R100 IonicContact OE1-NE 3.4Å; E79-R100 PolarHBondContact OE1-NE 3Å; E79-R100 IonicContact OE1-NH1 3.7Å; E79-R100 PolarHBondContact OE1-NH1 3.34Å; E79-R100 IonicContact OE1-NH2 3.22Å; K96-R100 WeakPolarHBondContact O-CB 3.5Å; K96-R100 PolarHBondContact O-N 3.11Å; S97-R100 PolarHBondContact O-N 2.98Å; S97-R100 VanDerWaalsContact O-N 3.13Å; R100-R102 VanDerWaalsContact C-N 3.35Å; R100-R102 PolarHBondContact O-N 3.44Å; R100-K103 PolarHBondContact O-N 3.32Å; R100-T104 PolarHBondContact O-N 2.71Å; R100-T104 PolarHBondContact O-OG1 3.5Å; R100-T104 VanDerWaalsContact O-OG1 3.12Å |
| 101 | I | 86.1 | Confident | 85.9 | Confident | 57 Ų | 57 | 84 Ų | 84 | 29% | 0.292 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -55.3 | -50.8 | 175.7 | -67.6 | 164.8 | 0 | 0 | 0 | 110.2 | P82 S97 K103 T104 D105 | P82-I101 HydrophobicContact CG-CD1 3.92Å; S97-I101 VanDerWaalsContact O-CG1 3.31Å; S97-I101 WeakPolarHBondContact O-CG1 3.13Å; S97-I101 PolarHBondContact O-N 3.35Å; I101-K103 VanDerWaalsContact C-N 3.34Å; I101-K103 PolarHBondContact O-N 3.38Å; I101-T104 PolarHBondContact O-N 3.43Å; I101-D105 PolarHBondContact O-N 2.97Å |
| 102 | R | 85.4 | Confident | 85.8 | Confident | 85 Ų | 85 | 84.3 Ų | 84.3 | 32% | 0.321 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.2 | -35.5 | 179 | -91.8 | -91.6 | -174.3 | 165.3 | 2.4 | 114 | L98 I99 R100 K106 L107 Y108 F112 | L98-R102 WeakPolarHBondContact O-CB 3.3Å; L98-R102 PolarHBondContact O-N 3.34Å; I99-R102 PolarHBondContact O-N 3.41Å; R100-R102 VanDerWaalsContact C-N 3.35Å; R100-R102 PolarHBondContact O-N 3.44Å; R102-K106 PolarHBondContact O-N 3.23Å; R102-L107 WeakPolarHBondContact CD-O 3.48Å; R102-L107 PolarHBondContact NH1-O 3.32Å; R102-L107 PolarHBondContact O-N 2.87Å; R102-Y108 PolarHBondContact O-N 3.39Å; R102-F112 HydrophobicContact CB-CE1 4.15Å; R102-F112 HydrophobicContact CG-CD1 4.06Å; R102-F112 HydrophobicContact CG-CE1 3.61Å; R102-F112 HydrophobicContact CG-CE2 4.27Å; R102-F112 HydrophobicContact CG-CZ 3.72Å |
| 103 | K | 86.3 | Confident | 85.7 | Confident | 119 Ų | 119 | 80.4 Ų | 80.4 | 52% | 0.517 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.8 | -43.1 | 174 | -76.6 | 179.8 | 178.5 | -176.8 | 0 | 111.2 | I99 R100 I101 D105 K106 Y108 | I99-K103 HydrophobicContact CG2-CD 4Å; I99-K103 HydrophobicContact CG2-CG 4.39Å; I99-K103 WeakPolarHBondContact O-CB 3.3Å; I99-K103 WeakPolarHBondContact O-CG 3.31Å; I99-K103 PolarHBondContact O-N 3.11Å; R100-K103 PolarHBondContact O-N 3.32Å; I101-K103 VanDerWaalsContact C-N 3.34Å; I101-K103 PolarHBondContact O-N 3.38Å; K103-D105 VanDerWaalsContact C-N 3.33Å; K103-K106 PolarHBondContact O-N 3.5Å; K103-K106 VanDerWaalsContact O-N 3.09Å; K103-Y108 HydrophobicContact CG-CD2 4.14Å; K103-Y108 HydrophobicContact CG-CG 3.95Å |
| 104 | T | 84.6 | Confident | 85.4 | Confident | 109 Ų | 109 | 83.4 Ų | 83.4 | 67% | 0.669 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -62.7 | -40.7 | 175.2 | -60 | 0 | 0 | 0 | 0 | 111.6 | R100 I101 K106 | R100-T104 PolarHBondContact O-N 2.71Å; R100-T104 PolarHBondContact O-OG1 3.5Å; R100-T104 VanDerWaalsContact O-OG1 3.12Å; I101-T104 PolarHBondContact O-N 3.43Å; T104-K106 PolarHBondContact O-N 2.92Å |
| 105 | D | 82.1 | Confident | 85.1 | Confident | 91 Ų | 91 | 89 Ų | 89 | 49% | 0.487 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -4.6 | 176.1 | -68.2 | -14.8 | 0 | 0 | 0 | 113.2 | I101 K103 L107 | I101-D105 PolarHBondContact O-N 2.97Å; K103-D105 VanDerWaalsContact C-N 3.33Å; D105-L107 HydrophobicContact CB-CB 4.3Å; D105-L107 HydrophobicContact CB-CD1 4.11Å; D105-L107 HydrophobicContact CB-CG 4.26Å; D105-L107 PolarHBondContact O-N 3.13Å |
| 106 | K | 84.3 | Confident | 85 | Confident | 193 Ų | 193 | 87.3 Ų | 87.3 | 84% | 0.839 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 28.8 | -173 | -55.7 | -179.1 | -179.6 | 179.2 | 0 | 113.5 | R102 K103 T104 | R102-K106 PolarHBondContact O-N 3.23Å; K103-K106 PolarHBondContact O-N 3.5Å; K103-K106 VanDerWaalsContact O-N 3.09Å; T104-K106 PolarHBondContact O-N 2.92Å |
| 107 | L | 82.8 | Confident | 84.8 | Confident | 101 Ų | 101 | 83.8 Ų | 83.8 | 53% | 0.529 | 40% | 0.398 | S | S | . | . | trans | -111.5 | 12.7 | -179.3 | -72 | 174 | 0 | 0 | 0 | 111.7 | R102 D105 | R102-L107 WeakPolarHBondContact CD-O 3.48Å; R102-L107 PolarHBondContact NH1-O 3.32Å; R102-L107 PolarHBondContact O-N 2.87Å; D105-L107 HydrophobicContact CB-CB 4.3Å; D105-L107 HydrophobicContact CB-CD1 4.11Å; D105-L107 HydrophobicContact CB-CG 4.26Å; D105-L107 PolarHBondContact O-N 3.13Å | ||
| 108 | Y | 85.3 | Confident | 84.5 | Confident | 87 Ų | 87 | 90.1 Ų | 90.1 | 34% | 0.341 | 43% | 0.427 | S | S | . | . | trans | -69.2 | 133.9 | 178.5 | 174.1 | -95.7 | 0 | 0 | 0 | 111.1 | I99 R102 K103 E113 | I99-Y108 HydrophobicContact CG2-CD2 4.26Å; I99-Y108 HydrophobicContact CG2-CE2 4.07Å; R102-Y108 PolarHBondContact O-N 3.39Å; K103-Y108 HydrophobicContact CG-CD2 4.14Å; K103-Y108 HydrophobicContact CG-CG 3.95Å; Y108-E113 HydrophobicContact CE2-CB 4.47Å; Y108-E113 WeakPolarHBondContact CE2-OE2 3.19Å; Y108-E113 PolarHBondContact OH-OE2 3.02Å | ||
| 109 | D | 84.4 | Confident | 84.3 | Confident | 77 Ų | 77 | 92.6 Ų | 92.6 | 41% | 0.412 | 44% | 0.444 | S | S | . | . | trans | -144 | 148.6 | 174.9 | -177.4 | 16.7 | 0 | 0 | 0 | 109 | T111 F112 E113 | D109-T111 PolarHBondContact O-N 2.87Å; D109-T111 WeakPolarHBondContact OD2-CB 3.45Å; D109-T111 PolarHBondContact OD2-OG1 2.9Å; D109-F112 HydrophobicContact CB-CB 4.48Å; D109-F112 WeakPolarHBondContact O-CB 3.31Å; D109-F112 PolarHBondContact O-N 3.35Å; D109-F112 VanDerWaalsContact O-N 3.1Å; D109-E113 PolarHBondContact O-N 3.24Å | ||
| 110 | E | 82.8 | Confident | 84.2 | Confident | 138 Ų | 138 | 92.1 Ų | 92.1 | 65% | 0.645 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -62.6 | -30.5 | 176.9 | -68.7 | -172.9 | 176.3 | 0 | 0 | 111.6 | F112 E113 K114 | E110-F112 VanDerWaalsContact C-N 3.33Å; E110-E113 PolarHBondContact O-N 3.28Å; E110-K114 PolarHBondContact O-N 2.67Å |
| 111 | T | 79.1 | Confident | 84 | Confident | 79 Ų | 79 | 90.7 Ų | 90.7 | 49% | 0.485 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.2 | -36.3 | 174.4 | 71 | 0 | 0 | 0 | 0 | 112 | D109 K114 Q115 | D109-T111 PolarHBondContact O-N 2.87Å; D109-T111 WeakPolarHBondContact OD2-CB 3.45Å; D109-T111 PolarHBondContact OD2-OG1 2.9Å; T111-K114 PolarHBondContact O-N 2.99Å; T111-Q115 WeakPolarHBondContact O-CG 3.36Å; T111-Q115 PolarHBondContact O-N 2.94Å |
| 112 | F | 85.4 | Confident | 83.8 | Confident | 34 Ų | 34 | 92.4 Ų | 92.4 | 15% | 0.149 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -66.8 | -40.1 | 175.8 | 168.3 | -95.6 | 0 | 0 | 0 | 111.2 | R102 D109 E110 K114 Q115 L116 | R102-F112 HydrophobicContact CB-CE1 4.15Å; R102-F112 HydrophobicContact CG-CD1 4.06Å; R102-F112 HydrophobicContact CG-CE1 3.61Å; R102-F112 HydrophobicContact CG-CE2 4.27Å; R102-F112 HydrophobicContact CG-CZ 3.72Å; D109-F112 HydrophobicContact CB-CB 4.48Å; D109-F112 WeakPolarHBondContact O-CB 3.31Å; D109-F112 PolarHBondContact O-N 3.35Å; D109-F112 VanDerWaalsContact O-N 3.1Å; E110-F112 VanDerWaalsContact C-N 3.33Å; F112-K114 PolarHBondContact O-N 2.9Å; F112-Q115 PolarHBondContact O-N 3.31Å; F112-L116 HydrophobicContact CE1-CB 4.4Å; F112-L116 HydrophobicContact CE1-CD2 3.93Å; F112-L116 HydrophobicContact CZ-CB 4.39Å; F112-L116 HydrophobicContact CZ-CD2 4.13Å; F112-L116 WeakPolarHBondContact O-CB 3.49Å; F112-L116 PolarHBondContact O-N 3.1Å |
| 113 | E | 85.3 | Confident | 83.5 | Confident | 42 Ų | 42 | 91.1 Ų | 91.1 | 20% | 0.196 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 178.6 | -172.3 | 162.4 | 178.9 | 0 | 0 | 111.6 | R95 I99 Y108 D109 E110 L116 D117 | R95-E113 IonicContact CZ-OE1 2.77Å; R95-E113 IonicContact NH1-OE1 3.63Å; R95-E113 PolarHBondContact NH1-OE1 3.07Å; R95-E113 IonicContact NH2-OE1 3.63Å; R95-E113 PolarHBondContact NH2-OE1 3.39Å; I99-E113 HydrophobicContact CD1-CG 4.31Å; Y108-E113 HydrophobicContact CE2-CB 4.47Å; Y108-E113 WeakPolarHBondContact CE2-OE2 3.19Å; Y108-E113 PolarHBondContact OH-OE2 3.02Å; D109-E113 PolarHBondContact O-N 3.24Å; E110-E113 PolarHBondContact O-N 3.28Å; E113-L116 WeakPolarHBondContact O-CB 3.12Å; E113-L116 PolarHBondContact O-N 3.39Å; E113-D117 PolarHBondContact O-N 3.38Å |
| 114 | K | 82.1 | Confident | 83.2 | Confident | 144 Ų | 144 | 87.1 Ų | 87.1 | 63% | 0.626 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -63.3 | -46.2 | 174.6 | -69.4 | 179.2 | -178.8 | 174.8 | 0 | 112.7 | E110 T111 F112 L116 D117 E118 | E110-K114 PolarHBondContact O-N 2.67Å; T111-K114 PolarHBondContact O-N 2.99Å; F112-K114 PolarHBondContact O-N 2.9Å; K114-L116 VanDerWaalsContact C-N 3.27Å; K114-L116 PolarHBondContact O-N 2.98Å; K114-D117 PolarHBondContact O-N 2.96Å; K114-E118 PolarHBondContact O-N 3.12Å |
| 115 | Q | 82.3 | Confident | 82.9 | Confident | 118 Ų | 118 | 85.6 Ų | 85.6 | 55% | 0.551 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.2 | -37.5 | 176 | -73.3 | 175.9 | -2.3 | 0 | 0 | 112 | T111 F112 V119 | T111-Q115 WeakPolarHBondContact O-CG 3.36Å; T111-Q115 PolarHBondContact O-N 2.94Å; F112-Q115 PolarHBondContact O-N 3.31Å; Q115-V119 VanDerWaalsContact O-CG2 3.29Å; Q115-V119 WeakPolarHBondContact O-CG2 3.48Å; Q115-V119 PolarHBondContact O-N 3.43Å; Q115-V119 VanDerWaalsContact O-N 3.09Å |
| 116 | L | 86 | Confident | 82.7 | Confident | 14 Ų | 14 | 85.8 Ų | 85.8 | 7% | 0.073 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -65 | -44.6 | 177.2 | 178 | 61.9 | 0 | 0 | 0 | 110.7 | R95 L98 I99 F112 E113 K114 E118 V119 L120 | R95-L116 HydrophobicContact CG-CD2 4.36Å; L98-L116 HydrophobicContact CB-CD1 4.46Å; L98-L116 HydrophobicContact CB-CD2 3.88Å; L98-L116 HydrophobicContact CD1-CD1 3.55Å; L98-L116 HydrophobicContact CD1-CD2 4.4Å; I99-L116 HydrophobicContact CG1-CD2 4.15Å; F112-L116 HydrophobicContact CE1-CB 4.4Å; F112-L116 HydrophobicContact CE1-CD2 3.93Å; F112-L116 HydrophobicContact CZ-CB 4.39Å; F112-L116 HydrophobicContact CZ-CD2 4.13Å; F112-L116 WeakPolarHBondContact O-CB 3.49Å; F112-L116 PolarHBondContact O-N 3.1Å; E113-L116 WeakPolarHBondContact O-CB 3.12Å; E113-L116 PolarHBondContact O-N 3.39Å; K114-L116 VanDerWaalsContact C-N 3.27Å; K114-L116 PolarHBondContact O-N 2.98Å; L116-E118 PolarHBondContact O-N 3.4Å; L116-V119 PolarHBondContact O-N 3.44Å; L116-L120 HydrophobicContact CD1-CD1 3.87Å; L116-L120 HydrophobicContact CD1-CD2 4.5Å; L116-L120 HydrophobicContact CD1-CG 3.91Å; L116-L120 HydrophobicContact CD2-CD1 4.42Å; L116-L120 HydrophobicContact CG-CD1 3.79Å; L116-L120 HydrophobicContact CG-CG 4.23Å; L116-L120 VanDerWaalsContact O-CB 3.32Å; L116-L120 WeakPolarHBondContact O-CB 3.29Å; L116-L120 VanDerWaalsContact O-CG 3.24Å; L116-L120 WeakPolarHBondContact O-CG 3.21Å; L116-L120 PolarHBondContact O-N 3.5Å |
| 117 | D | 85.6 | Confident | 82.2 | Confident | 62 Ų | 62 | 79.7 Ų | 79.7 | 33% | 0.332 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 178.3 | -72.9 | -20.9 | 0 | 0 | 0 | 111.8 | R95 E113 K114 L120 H121 | R95-D117 IonicContact CZ-OD1 3Å; R95-D117 IonicContact CZ-OD2 2.63Å; R95-D117 IonicContact NE-OD1 3.89Å; R95-D117 PolarHBondContact NE-OD1 3.37Å; R95-D117 IonicContact NE-OD2 2.76Å; R95-D117 IonicContact NH2-OD1 2.97Å; R95-D117 PolarHBondContact NH2-OD1 2.84Å; R95-D117 IonicContact NH2-OD2 2.93Å; R95-D117 PolarHBondContact NH2-OD2 3.35Å; E113-D117 PolarHBondContact O-N 3.38Å; K114-D117 PolarHBondContact O-N 2.96Å; D117-L120 PolarHBondContact O-N 3.32Å; D117-H121 VanDerWaalsContact O-CB 3.27Å; D117-H121 WeakPolarHBondContact O-CB 3.28Å; D117-H121 PolarHBondContact O-N 3.2Å |
| 118 | E | 82.9 | Confident | 81.6 | Confident | 138 Ų | 138 | 78.7 Ų | 78.7 | 65% | 0.645 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -60 | -48.7 | 173.9 | -74.1 | 179.2 | -176.2 | 0 | 0 | 112.2 | K114 L116 L120 H121 V122 | K114-E118 PolarHBondContact O-N 3.12Å; L116-E118 PolarHBondContact O-N 3.4Å; E118-L120 PolarHBondContact O-N 2.78Å; E118-H121 PolarHBondContact O-N 3.09Å; E118-V122 WeakPolarHBondContact O-CG2 3.38Å; E118-V122 PolarHBondContact O-N 3.03Å; E118-V122 VanDerWaalsContact O-N 3.09Å |
| 119 | V | 83 | Confident | 80.8 | Confident | 96 Ų | 96 | 84 Ų | 84 | 58% | 0.582 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.6 | -42.4 | 179.7 | 172 | 0 | 0 | 0 | 0 | 111.3 | Q115 L116 E123 | Q115-V119 VanDerWaalsContact O-CG2 3.29Å; Q115-V119 WeakPolarHBondContact O-CG2 3.48Å; Q115-V119 PolarHBondContact O-N 3.43Å; Q115-V119 VanDerWaalsContact O-N 3.09Å; L116-V119 PolarHBondContact O-N 3.44Å; V119-E123 PolarHBondContact O-N 2.95Å; V119-E123 VanDerWaalsContact O-N 3.13Å |
| 120 | L | 85.1 | Confident | 79.9 | Confident | 7 Ų | 7 | 83.8 Ų | 83.8 | 4% | 0.037 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -68.2 | -36.7 | 178.9 | -72.8 | 179.2 | 0 | 0 | 0 | 111.8 | I86 I91 R95 L116 D117 E118 E123 A124 | I86-L120 HydrophobicContact CD1-CD2 3.74Å; I86-L120 HydrophobicContact CG1-CD2 3.83Å; I91-L120 HydrophobicContact CG2-CB 3.81Å; I91-L120 HydrophobicContact CG2-CD1 4.3Å; I91-L120 HydrophobicContact CG2-CD2 4.25Å; I91-L120 HydrophobicContact CG2-CG 4.34Å; R95-L120 HydrophobicContact CB-CD1 3.67Å; R95-L120 HydrophobicContact CG-CD1 4Å; L116-L120 HydrophobicContact CD1-CD1 3.87Å; L116-L120 HydrophobicContact CD1-CD2 4.5Å; L116-L120 HydrophobicContact CD1-CG 3.91Å; L116-L120 HydrophobicContact CD2-CD1 4.42Å; L116-L120 HydrophobicContact CG-CD1 3.79Å; L116-L120 HydrophobicContact CG-CG 4.23Å; L116-L120 VanDerWaalsContact O-CB 3.32Å; L116-L120 WeakPolarHBondContact O-CB 3.29Å; L116-L120 VanDerWaalsContact O-CG 3.24Å; L116-L120 WeakPolarHBondContact O-CG 3.21Å; L116-L120 PolarHBondContact O-N 3.5Å; D117-L120 PolarHBondContact O-N 3.32Å; E118-L120 PolarHBondContact O-N 2.78Å; L120-E123 PolarHBondContact O-N 2.92Å; L120-A124 WeakPolarHBondContact O-CB 3.43Å; L120-A124 PolarHBondContact O-N 3.19Å |
| 121 | H | 83.1 | Confident | 78.4 | Confident | 114 Ų | 114 | 82.5 Ų | 82.5 | 53% | 0.528 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 176.2 | -165.4 | -82.3 | 0 | 0 | 0 | 111.6 | D117 E118 E123 A124 E125 | D117-H121 VanDerWaalsContact O-CB 3.27Å; D117-H121 WeakPolarHBondContact O-CB 3.28Å; D117-H121 PolarHBondContact O-N 3.2Å; E118-H121 PolarHBondContact O-N 3.09Å; H121-E123 VanDerWaalsContact C-N 3.34Å; H121-E123 PolarHBondContact O-N 3.36Å; H121-A124 PolarHBondContact O-N 3.23Å; H121-E125 IonicContact CE1-OE1 3.14Å; H121-E125 PolarHBondContact CE1-OE1 3.38Å; H121-E125 IonicContact ND1-OE1 2.84Å; H121-E125 PolarHBondContact ND1-OE1 3.22Å; H121-E125 VanDerWaalsContact ND1-OE1 3.13Å; H121-E125 PolarHBondContact O-N 2.57Å |
| 122 | V | 82.1 | Confident | 77.1 | Confident | 92 Ų | 92 | 87.8 Ų | 87.8 | 56% | 0.558 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -59.7 | -45 | 175.5 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | E118 K126 | E118-V122 WeakPolarHBondContact O-CG2 3.38Å; E118-V122 PolarHBondContact O-N 3.03Å; E118-V122 VanDerWaalsContact O-N 3.09Å; V122-K126 VanDerWaalsContact O-CB 3.29Å; V122-K126 WeakPolarHBondContact O-CB 3.28Å; V122-K126 PolarHBondContact O-N 3.17Å |
| 123 | E | 79.7 | Confident | 75.4 | Confident | 59 Ų | 59 | 95.4 Ų | 95.4 | 28% | 0.276 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -72.4 | -33.8 | -179.2 | -147.8 | 65.4 | -167.3 | 0 | 0 | 111.5 | I86 V119 L120 H121 K126 H127 | I86-E123 HydrophobicContact CG2-CB 4.19Å; I86-E123 HydrophobicContact CG2-CG 3.59Å; V119-E123 PolarHBondContact O-N 2.95Å; V119-E123 VanDerWaalsContact O-N 3.13Å; L120-E123 PolarHBondContact O-N 2.92Å; H121-E123 VanDerWaalsContact C-N 3.34Å; H121-E123 PolarHBondContact O-N 3.36Å; E123-K126 PolarHBondContact O-N 3.22Å; E123-K126 IonicContact OE1-NZ 3.82Å; E123-K126 PolarHBondContact OE1-NZ 3.01Å; E123-K126 IonicContact OE2-NZ 3.18Å; E123-K126 PolarHBondContact OE2-NZ 3.11Å; E123-H127 WeakPolarHBondContact O-CB 3.38Å; E123-H127 PolarHBondContact O-CD2 2.98Å; E123-H127 PolarHBondContact O-N 2.89Å |
| 124 | A | 79.2 | Confident | 74 | Confident | 34 Ų | 34 | 98 Ų | 98 | 28% | 0.281 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | I91 L120 H121 K126 H127 A128 | I91-A124 HydrophobicContact CD1-CB 4.27Å; I91-A124 HydrophobicContact CG1-CB 3.89Å; L120-A124 WeakPolarHBondContact O-CB 3.43Å; L120-A124 PolarHBondContact O-N 3.19Å; H121-A124 PolarHBondContact O-N 3.23Å; A124-K126 VanDerWaalsContact C-N 3.32Å; A124-K126 PolarHBondContact O-N 2.95Å; A124-H127 WeakPolarHBondContact O-CB 3.33Å; A124-H127 PolarHBondContact O-N 2.72Å; A124-A128 WeakPolarHBondContact O-CB 3.48Å; A124-A128 PolarHBondContact O-N 3.2Å |
| 125 | E | 78.6 | Confident | 73 | Confident | 78 Ų | 78 | 98.2 Ų | 98.2 | 36% | 0.364 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 174.9 | -81.5 | -167.7 | -150.2 | 0 | 0 | 111.8 | H121 H127 A128 R129 | H121-E125 IonicContact CE1-OE1 3.14Å; H121-E125 PolarHBondContact CE1-OE1 3.38Å; H121-E125 IonicContact ND1-OE1 2.84Å; H121-E125 PolarHBondContact ND1-OE1 3.22Å; H121-E125 VanDerWaalsContact ND1-OE1 3.13Å; H121-E125 PolarHBondContact O-N 2.57Å; E125-H127 VanDerWaalsContact C-N 3.32Å; E125-H127 PolarHBondContact O-N 3.4Å; E125-A128 PolarHBondContact O-N 3.38Å; E125-R129 WeakPolarHBondContact O-CB 3.27Å; E125-R129 VanDerWaalsContact O-CG 3.24Å; E125-R129 WeakPolarHBondContact O-CG 3.43Å; E125-R129 PolarHBondContact O-N 3.48Å; E125-R129 IonicContact OE2-CZ 2.81Å; E125-R129 IonicContact OE2-NE 3.35Å; E125-R129 IonicContact OE2-NH2 3.25Å; E125-R129 PolarHBondContact OE2-NH2 2.89Å |
| 126 | K | 77.9 | Confident | 72.1 | Confident | 95 Ų | 95 | 101.8 Ų | 101.8 | 41% | 0.413 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64 | -38.7 | 177 | -175.6 | -178.9 | 171 | -161.1 | 0 | 111.5 | V122 E123 A124 S130 | V122-K126 VanDerWaalsContact O-CB 3.29Å; V122-K126 WeakPolarHBondContact O-CB 3.28Å; V122-K126 PolarHBondContact O-N 3.17Å; E123-K126 PolarHBondContact O-N 3.22Å; E123-K126 IonicContact OE1-NZ 3.82Å; E123-K126 PolarHBondContact OE1-NZ 3.01Å; E123-K126 IonicContact OE2-NZ 3.18Å; E123-K126 PolarHBondContact OE2-NZ 3.11Å; A124-K126 VanDerWaalsContact C-N 3.32Å; A124-K126 PolarHBondContact O-N 2.95Å; K126-S130 WeakPolarHBondContact O-CB 3.45Å; K126-S130 PolarHBondContact O-N 3.4Å |
| 127 | H | 72.6 | Confident | 71.2 | Confident | 65 Ų | 65 | 104.7 Ų | 104.7 | 30% | 0.301 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.3 | -45 | 172.4 | -91.5 | -72.2 | 0 | 0 | 0 | 112.1 | I86 Q87 E123 A124 E125 R129 S130 | I86-H127 PolarHBondContact O-NE2 3.21Å; I86-H127 VanDerWaalsContact O-NE2 3.11Å; Q87-H127 PolarHBondContact O-CE1 3.03Å; E123-H127 WeakPolarHBondContact O-CB 3.38Å; E123-H127 PolarHBondContact O-CD2 2.98Å; E123-H127 PolarHBondContact O-N 2.89Å; A124-H127 WeakPolarHBondContact O-CB 3.33Å; A124-H127 PolarHBondContact O-N 2.72Å; E125-H127 VanDerWaalsContact C-N 3.32Å; E125-H127 PolarHBondContact O-N 3.4Å; H127-R129 PolarHBondContact O-N 3.49Å; H127-S130 CarbonylContact O-C 3.51Å; H127-S130 PolarHBondContact O-N 2.7Å; H127-S130 VanDerWaalsContact O-N 3.1Å |
| 128 | A | 71 | Confident | 70.9 | Confident | 79 Ų | 79 | 105.3 Ų | 105.3 | 65% | 0.653 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62 | -42.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A124 E125 S130 | A124-A128 WeakPolarHBondContact O-CB 3.48Å; A124-A128 PolarHBondContact O-N 3.2Å; E125-A128 PolarHBondContact O-N 3.38Å; A128-S130 VanDerWaalsContact C-N 3.28Å; A128-S130 PolarHBondContact O-N 3.04Å |
| 129 | R | 69 | Low | 70.5 | Confident | 199 Ų | 199 | 103.7 Ų | 103.7 | 75% | 0.751 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.8 | -25.1 | 174.1 | -67.5 | 176.5 | -162.7 | -161.4 | 9.5 | 112.7 | E125 H127 S131 | E125-R129 WeakPolarHBondContact O-CB 3.27Å; E125-R129 VanDerWaalsContact O-CG 3.24Å; E125-R129 WeakPolarHBondContact O-CG 3.43Å; E125-R129 PolarHBondContact O-N 3.48Å; E125-R129 IonicContact OE2-CZ 2.81Å; E125-R129 IonicContact OE2-NE 3.35Å; E125-R129 IonicContact OE2-NH2 3.25Å; E125-R129 PolarHBondContact OE2-NH2 2.89Å; H127-R129 PolarHBondContact O-N 3.49Å; R129-S131 PolarHBondContact O-N 3.35Å |
| 130 | S | 64.4 | Low | 70 | Confident | 72 Ų | 72 | 104.3 Ų | 104.3 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 31.1 | -176.4 | -173.3 | 0 | 0 | 0 | 0 | 114.2 | K126 H127 A128 K132 | K126-S130 WeakPolarHBondContact O-CB 3.45Å; K126-S130 PolarHBondContact O-N 3.4Å; H127-S130 CarbonylContact O-C 3.51Å; H127-S130 PolarHBondContact O-N 2.7Å; H127-S130 VanDerWaalsContact O-N 3.1Å; A128-S130 VanDerWaalsContact C-N 3.28Å; A128-S130 PolarHBondContact O-N 3.04Å; S130-K132 PolarHBondContact O-N 2.97Å |
| 131 | S | 52.5 | Low | 69.5 | Low | 112 Ų | 112 | 106.5 Ų | 106.5 | 78% | 0.783 | 54% | 0.542 | S | S | * | . | trans | -48.6 | -2.7 | 171 | 173.2 | 0 | 0 | 0 | 0 | 116.2 | R129 K133 | R129-S131 PolarHBondContact O-N 3.35Å; S131-K133 PolarHBondContact O-N 2.95Å | ||
| 132 | K | 50.5 | Low | 69 | Low | 189 Ų | 189 | 101.3 Ų | 101.3 | 82% | 0.822 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -64.3 | 108.7 | 168.3 | -70.6 | -177.8 | 178.9 | 175.1 | 0 | 110.6 | S130 A134 | S130-K132 PolarHBondContact O-N 2.97Å; K132-A134 PolarHBondContact O-N 3.37Å |
| 133 | K | 51 | Low | 68.9 | Low | 194 Ų | 194 | 100.4 Ų | 100.4 | 84% | 0.843 | 51% | 0.506 | S | S | * | . | trans | -4.1 | 116.7 | 163.6 | -75.2 | 178.9 | 177.5 | 176.5 | 0 | 112.7 | S131 K135 | S131-K133 PolarHBondContact O-N 2.95Å; K133-K135 PolarHBondContact O-N 2.82Å | ||
| 134 | A | 55.5 | Low | 68.5 | Low | 97 Ų | 97 | 97.7 Ų | 97.7 | 80% | 0.802 | 49% | 0.494 | S | S | * | . | trans | -39.9 | 111.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | K132 K136 | K132-A134 PolarHBondContact O-N 3.37Å; A134-K136 PolarHBondContact O-N 3.12Å | ||
| 135 | K | 60.8 | Low | 68.4 | Low | 149 Ų | 149 | 97.5 Ų | 97.5 | 65% | 0.648 | 49% | 0.489 | S | S | * | . | trans | -60.1 | 113 | -178.7 | -77.5 | 176.6 | -178.4 | 164.9 | 0 | 106.7 | K133 Y137 | K133-K135 PolarHBondContact O-N 2.82Å; K135-Y137 HydrophobicContact CB-CE1 4.22Å; K135-Y137 HydrophobicContact CB-CE2 3.97Å; K135-Y137 VanDerWaalsContact O-CD2 3.25Å; K135-Y137 WeakPolarHBondContact O-CD2 3.07Å; K135-Y137 WeakPolarHBondContact O-CE2 3.43Å; K135-Y137 PolarHBondContact O-N 3.16Å; K135-Y137 VanDerWaalsContact O-N 3.08Å | ||
| 136 | K | 63.1 | Low | 68.2 | Low | 193 Ų | 193 | 103 Ų | 103 | 84% | 0.839 | 51% | 0.507 | S | S | * | . | trans | -68.7 | 107.3 | 173.7 | -69.6 | -172.2 | 178.3 | -175.3 | 0 | 107.1 | A134 | A134-K136 PolarHBondContact O-N 3.12Š| ||
| 137 | Y | 67.6 | Low | 68.3 | Low | 75 Ų | 75 | 104.9 Ų | 104.9 | 29% | 0.294 | 52% | 0.515 | S | S | . | . | trans | -86.3 | 125.4 | 172.6 | -63.3 | -71.4 | 0 | 0 | 0 | 108.9 | K135 H141 A270 V271 L274 L335 | K135-Y137 HydrophobicContact CB-CE1 4.22Å; K135-Y137 HydrophobicContact CB-CE2 3.97Å; K135-Y137 VanDerWaalsContact O-CD2 3.25Å; K135-Y137 WeakPolarHBondContact O-CD2 3.07Å; K135-Y137 WeakPolarHBondContact O-CE2 3.43Å; K135-Y137 PolarHBondContact O-N 3.16Å; K135-Y137 VanDerWaalsContact O-N 3.08Å; Y137-H141 AromaticContact CD1-CD2 3.8Å; Y137-A270 HydrophobicContact CD2-CB 4.04Å; Y137-A270 HydrophobicContact CE2-CB 3.64Å; Y137-V271 HydrophobicContact CD1-CG1 4.27Å; Y137-V271 HydrophobicContact CG-CG1 4.25Å; Y137-L274 WeakPolarHBondContact O-CD1 3.4Å; Y137-L335 HydrophobicContact CD1-CD1 3.64Å; Y137-L335 HydrophobicContact CE1-CD1 3.22Å | ||
| 138 | T | 78.4 | Confident | 68.6 | Low | 74 Ų | 74 | 102.4 Ų | 102.4 | 45% | 0.454 | 50% | 0.504 | S | S | . | . | trans | -106.1 | 164.8 | 174.5 | -48.2 | 0 | 0 | 0 | 0 | 110.3 | I140 H141 | T138-I140 PolarHBondContact O-N 3.24Å; T138-H141 PolarHBondContact N-CD2 3.5Å; T138-H141 WeakPolarHBondContact O-CB 3.43Å; T138-H141 PolarHBondContact O-N 2.93Å | ||
| 139 | F | 74.9 | Confident | 69.3 | Low | 104 Ų | 104 | 100.8 Ų | 100.8 | 46% | 0.456 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -51 | -28.3 | 175.3 | -72.2 | -78.9 | 0 | 0 | 0 | 114.7 | H141 L142 L274 A278 | F139-H141 PolarHBondContact O-N 3.41Å; F139-H141 VanDerWaalsContact O-N 3.13Å; F139-L142 WeakPolarHBondContact O-CB 3.38Å; F139-L142 PolarHBondContact O-N 3.43Å; F139-L274 HydrophobicContact CE1-CB 4.47Å; F139-L274 HydrophobicContact CE1-CD2 4.27Å; F139-L274 HydrophobicContact CE2-CD2 4.28Å; F139-L274 HydrophobicContact CZ-CD2 4.14Å; F139-A278 HydrophobicContact CD1-CB 4.3Å; F139-A278 HydrophobicContact CE1-CB 4.05Å |
| 140 | I | 72.9 | Confident | 70 | Confident | 109 Ų | 109 | 92.6 Ų | 92.6 | 56% | 0.559 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -56.8 | -30.2 | 174.4 | -58.4 | 172 | 0 | 0 | 0 | 111.2 | T138 L142 F143 | T138-I140 PolarHBondContact O-N 3.24Å; I140-L142 PolarHBondContact O-N 2.74Å; I140-F143 PolarHBondContact O-N 2.92Å |
| 141 | H | 73.9 | Confident | 71 | Confident | 53 Ų | 53 | 89.7 Ų | 89.7 | 25% | 0.245 | 44% | 0.437 | C | S | . | . | G | 310 helix | trans | -71.3 | -14.3 | 178.5 | -68.6 | -55.9 | 0 | 0 | 0 | 114.6 | Y137 T138 F139 F143 C144 M148 V271 | Y137-H141 AromaticContact CD1-CD2 3.8Å; T138-H141 PolarHBondContact N-CD2 3.5Å; T138-H141 WeakPolarHBondContact O-CB 3.43Å; T138-H141 PolarHBondContact O-N 2.93Å; F139-H141 PolarHBondContact O-N 3.41Å; F139-H141 VanDerWaalsContact O-N 3.13Å; H141-F143 PolarHBondContact O-N 2.72Å; H141-C144 WeakPolarHBondContact CA-SG 3.26Å; H141-C144 PolarHBondContact ND1-SG 3.35Å; H141-C144 PolarHBondContact O-SG 3.43Å; H141-M148 WeakPolarHBondContact O-CE 3.28Å; H141-V271 HydrophobicContact CB-CG1 4.19Å |
| 142 | L | 74.3 | Confident | 72.7 | Confident | 5 Ų | 5 | 84.4 Ų | 84.4 | 3% | 0.026 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -67 | -25.9 | 170.1 | -155.5 | 76.2 | 0 | 0 | 0 | 111.5 | F139 I140 M148 S152 Y267 A275 A278 | F139-L142 WeakPolarHBondContact O-CB 3.38Å; F139-L142 PolarHBondContact O-N 3.43Å; I140-L142 PolarHBondContact O-N 2.74Å; L142-M148 VanDerWaalsContact O-CB 3.31Å; L142-M148 WeakPolarHBondContact O-CB 3.49Å; L142-S152 VanDerWaalsContact CG-OG 3.3Å; L142-S152 WeakPolarHBondContact CG-OG 3.24Å; L142-S152 PolarHBondContact O-OG 3.14Å; L142-Y267 HydrophobicContact CD1-CD1 3.75Å; L142-Y267 HydrophobicContact CD1-CE1 3.3Å; L142-Y267 HydrophobicContact CG-CE1 4.03Å; L142-A275 HydrophobicContact CD1-CB 3.52Å; L142-A278 HydrophobicContact CD2-CB 4.32Å |
| 143 | F | 78.8 | Confident | 74.6 | Confident | 73 Ų | 73 | 80 Ų | 80 | 32% | 0.32 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -106.7 | 28.6 | -176.4 | -57.3 | -80 | 0 | 0 | 0 | 112.4 | I140 H141 T145 I149 | I140-F143 PolarHBondContact O-N 2.92Å; H141-F143 PolarHBondContact O-N 2.72Å; F143-T145 PolarHBondContact O-N 3.17Å; F143-I149 HydrophobicContact CB-CD1 4.41Å; F143-I149 HydrophobicContact CB-CG1 3.82Å; F143-I149 HydrophobicContact CD1-CB 4.33Å; F143-I149 HydrophobicContact CD1-CG1 3.99Å; F143-I149 HydrophobicContact CD1-CG2 4.21Å; F143-I149 HydrophobicContact CG-CG1 4.41Å |
| 144 | C | 71 | Confident | 76.5 | Confident | 3 Ų | 3 | 70.9 Ų | 70.9 | 2% | 0.02 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -70.1 | -30.9 | -174.7 | -81.4 | 0 | 0 | 0 | 0 | 115 | H141 M148 R341 I342 | H141-C144 WeakPolarHBondContact CA-SG 3.26Å; H141-C144 PolarHBondContact ND1-SG 3.35Å; H141-C144 PolarHBondContact O-SG 3.43Å; C144-M148 HydrophobicContact CB-SD 4.2Å; C144-R341 HydrophobicContact CB-CB 4.41Å; C144-R341 HydrophobicContact CB-CG 4.16Å; C144-R341 CarbonylContact O-C 3.56Å; C144-R341 VanDerWaalsContact O-CA 3.32Å; C144-R341 WeakPolarHBondContact O-CA 3.44Å; C144-I342 PolarHBondContact O-N 3.43Å |
| 145 | T | 77.1 | Confident | 78.2 | Confident | 29 Ų | 29 | 66.4 Ų | 66.4 | 18% | 0.178 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -137.4 | 146.9 | -173 | -58.1 | 0 | 0 | 0 | 0 | 108.3 | F143 K147 M148 I149 K340 | F143-T145 PolarHBondContact O-N 3.17Å; T145-K147 HydrophobicContact CG2-CB 4.39Å; T145-K147 PolarHBondContact O-N 3.06Å; T145-K147 VanDerWaalsContact O-N 3.11Å; T145-M148 CarbonylContact O-C 3.53Å; T145-M148 WeakPolarHBondContact O-CA 3.19Å; T145-M148 WeakPolarHBondContact O-CB 3.35Å; T145-M148 PolarHBondContact O-N 3.17Å; T145-I149 WeakPolarHBondContact O-CG1 3.05Å; T145-I149 PolarHBondContact O-N 3.48Å; T145-K340 PolarHBondContact OG1-O 3.36Å |
| 146 | W | 74.9 | Confident | 79.8 | Confident | 194 Ų | 194 | 60.5 Ų | 60.5 | 74% | 0.735 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -50.1 | -40.2 | 179.4 | -71.1 | 113.2 | 0 | 0 | 0 | 113.2 | I149 A150 I342 | W146-I149 HydrophobicContact CE3-CD1 4.22Å; W146-I149 PolarHBondContact O-N 3.41Å; W146-A150 WeakPolarHBondContact O-CB 3.46Å; W146-A150 PolarHBondContact O-N 3.41Å; W146-I342 HydrophobicContact CD2-CD1 3.87Å; W146-I342 HydrophobicContact CG-CD1 3.89Å; W146-I342 HydrophobicContact CZ2-CD1 4.45Å |
| 147 | K | 79.4 | Confident | 81.2 | Confident | 134 Ų | 134 | 52.7 Ų | 52.7 | 58% | 0.583 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -59.7 | -46.9 | 172.8 | -174.7 | 177.7 | 178.4 | -178.2 | 0 | 112.7 | T145 A150 Q151 | T145-K147 HydrophobicContact CG2-CB 4.39Å; T145-K147 PolarHBondContact O-N 3.06Å; T145-K147 VanDerWaalsContact O-N 3.11Å; K147-A150 PolarHBondContact O-N 3.27Å; K147-Q151 VanDerWaalsContact CE-NE2 3.31Å; K147-Q151 WeakPolarHBondContact O-CB 3.24Å; K147-Q151 WeakPolarHBondContact O-CG 3.44Å; K147-Q151 PolarHBondContact O-N 2.59Å; K147-Q151 PolarHBondContact O-OE1 3.09Å |
| 148 | M | 80 | Confident | 82.4 | Confident | 14 Ų | 14 | 49.1 Ų | 49.1 | 7% | 0.069 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.6 | -36 | 178.6 | -64.7 | -178.2 | 68 | 0 | 0 | 111.7 | H141 L142 C144 T145 S152 Y267 V271 L335 P336 | H141-M148 WeakPolarHBondContact O-CE 3.28Å; L142-M148 VanDerWaalsContact O-CB 3.31Å; L142-M148 WeakPolarHBondContact O-CB 3.49Å; C144-M148 HydrophobicContact CB-SD 4.2Å; T145-M148 CarbonylContact O-C 3.53Å; T145-M148 WeakPolarHBondContact O-CA 3.19Å; T145-M148 WeakPolarHBondContact O-CB 3.35Å; T145-M148 PolarHBondContact O-N 3.17Å; M148-S152 WeakPolarHBondContact O-CB 3.43Å; M148-S152 PolarHBondContact O-N 2.7Å; M148-S152 PolarHBondContact O-OG 3.47Å; M148-Y267 HydrophobicContact CE-CD1 4.37Å; M148-Y267 HydrophobicContact CE-CE1 4.39Å; M148-V271 HydrophobicContact CE-CG2 4.37Å; M148-L335 HydrophobicContact CE-CD2 4.11Å; M148-L335 HydrophobicContact SD-CD2 4.5Å; M148-P336 HydrophobicContact SD-CG 4.1Å |
| 149 | I | 84.6 | Confident | 83.1 | Confident | 44 Ų | 44 | 45.6 Ų | 45.6 | 23% | 0.226 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61 | -53 | 174.9 | -64.1 | 173.7 | 0 | 0 | 0 | 109.7 | F143 T145 W146 Q151 S152 L153 I342 | F143-I149 HydrophobicContact CB-CD1 4.41Å; F143-I149 HydrophobicContact CB-CG1 3.82Å; F143-I149 HydrophobicContact CD1-CB 4.33Å; F143-I149 HydrophobicContact CD1-CG1 3.99Å; F143-I149 HydrophobicContact CD1-CG2 4.21Å; F143-I149 HydrophobicContact CG-CG1 4.41Å; T145-I149 WeakPolarHBondContact O-CG1 3.05Å; T145-I149 PolarHBondContact O-N 3.48Å; W146-I149 HydrophobicContact CE3-CD1 4.22Å; W146-I149 PolarHBondContact O-N 3.41Å; I149-Q151 PolarHBondContact O-N 3.32Å; I149-S152 PolarHBondContact O-N 2.9Å; I149-L153 WeakPolarHBondContact O-CB 3.28Å; I149-L153 PolarHBondContact O-N 3.36Å; I149-I342 HydrophobicContact CD1-CD1 3.72Å |
| 150 | A | 85 | Confident | 84 | Confident | 28 Ų | 28 | 42 Ų | 42 | 23% | 0.231 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.7 | -50.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | W146 K147 S152 L153 T154 F322 | W146-A150 WeakPolarHBondContact O-CB 3.46Å; W146-A150 PolarHBondContact O-N 3.41Å; K147-A150 PolarHBondContact O-N 3.27Å; A150-S152 PolarHBondContact O-N 2.85Å; A150-L153 PolarHBondContact O-N 3.46Å; A150-T154 WeakPolarHBondContact O-CB 3.41Å; A150-T154 PolarHBondContact O-N 3.2Å; A150-T154 PolarHBondContact O-OG1 3.47Å; A150-F322 HydrophobicContact CB-CD1 3.86Å; A150-F322 HydrophobicContact CB-CE1 4.38Å |
| 151 | Q | 85.8 | Confident | 85 | Confident | 10 Ų | 10 | 37.6 Ų | 37.6 | 5% | 0.047 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.5 | -44.9 | 177.8 | -72 | 170.2 | -22.9 | 0 | 0 | 112.6 | K147 I149 T154 F155 L266 L323 | K147-Q151 VanDerWaalsContact CE-NE2 3.31Å; K147-Q151 WeakPolarHBondContact O-CB 3.24Å; K147-Q151 WeakPolarHBondContact O-CG 3.44Å; K147-Q151 PolarHBondContact O-N 2.59Å; K147-Q151 PolarHBondContact O-OE1 3.09Å; I149-Q151 PolarHBondContact O-N 3.32Å; Q151-T154 PolarHBondContact O-N 3.12Å; Q151-F155 WeakPolarHBondContact O-CD2 3.43Å; Q151-F155 PolarHBondContact O-N 2.83Å; Q151-L266 HydrophobicContact CB-CD2 4.18Å; Q151-L266 HydrophobicContact CG-CD2 3.78Å; Q151-L323 HydrophobicContact CG-CD2 4.29Å |
| 152 | S | 88.1 | Confident | 86 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66 | -43.8 | -178.9 | -54.6 | 0 | 0 | 0 | 0 | 111.6 | L142 M148 I149 A150 F155 I156 Y267 | L142-S152 VanDerWaalsContact CG-OG 3.3Å; L142-S152 WeakPolarHBondContact CG-OG 3.24Å; L142-S152 PolarHBondContact O-OG 3.14Å; M148-S152 WeakPolarHBondContact O-CB 3.43Å; M148-S152 PolarHBondContact O-N 2.7Å; M148-S152 PolarHBondContact O-OG 3.47Å; I149-S152 PolarHBondContact O-N 2.9Å; A150-S152 PolarHBondContact O-N 2.85Å; S152-F155 PolarHBondContact O-N 2.88Å; S152-I156 VanDerWaalsContact O-CB 3.28Å; S152-I156 WeakPolarHBondContact O-CB 3.16Å; S152-I156 WeakPolarHBondContact O-CD1 3.47Å; S152-I156 WeakPolarHBondContact O-CG1 3.38Å; S152-I156 PolarHBondContact O-N 3.37Å; S152-Y267 WeakPolarHBondContact CA-OH 3.33Å; S152-Y267 WeakPolarHBondContact CB-OH 3.31Å; S152-Y267 PolarHBondContact N-OH 2.9Å; S152-Y267 VanDerWaalsContact N-OH 3.16Å; S152-Y267 PolarHBondContact OG-OH 3.12Å |
| 153 | L | 89.5 | Confident | 86.9 | Confident | 97 Ų | 97 | 35 Ų | 35 | 51% | 0.508 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -64.2 | -43.9 | 177.3 | -169.6 | 61.6 | 0 | 0 | 0 | 110.6 | I149 A150 F155 I156 T157 | I149-L153 WeakPolarHBondContact O-CB 3.28Å; I149-L153 PolarHBondContact O-N 3.36Å; A150-L153 PolarHBondContact O-N 3.46Å; L153-F155 PolarHBondContact O-N 3.19Å; L153-I156 PolarHBondContact O-N 3.16Å; L153-T157 HydrophobicContact CD1-CG2 4.21Å; L153-T157 HydrophobicContact CG-CG2 4.39Å; L153-T157 WeakPolarHBondContact O-CG2 3.49Å; L153-T157 PolarHBondContact O-N 3.31Å; L153-T157 PolarHBondContact O-OG1 3.16Å |
| 154 | T | 91.3 | Very high | 87.7 | Confident | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.018 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.4 | -44.2 | 175.8 | -58.6 | 0 | 0 | 0 | 0 | 112.7 | A150 Q151 T157 G158 V318 L319 F322 L323 | A150-T154 WeakPolarHBondContact O-CB 3.41Å; A150-T154 PolarHBondContact O-N 3.2Å; A150-T154 PolarHBondContact O-OG1 3.47Å; Q151-T154 PolarHBondContact O-N 3.12Å; T154-T157 PolarHBondContact O-OG1 2.91Å; T154-G158 WeakPolarHBondContact O-CA 3.43Å; T154-G158 PolarHBondContact O-N 3.34Å; T154-V318 HydrophobicContact CG2-CG1 3.88Å; T154-V318 WeakPolarHBondContact OG1-CG1 3.22Å; T154-L319 HydrophobicContact CG2-CB 4.31Å; T154-F322 WeakPolarHBondContact OG1-CB 3.48Å; T154-L323 HydrophobicContact CG2-CD1 3.51Å; T154-L323 HydrophobicContact CG2-CG 4.03Å |
| 155 | F | 91.9 | Very high | 88.7 | Confident | 3 Ų | 3 | 32.7 Ų | 32.7 | 1% | 0.013 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.3 | -38.3 | 177.3 | -73.8 | -59.4 | 0 | 0 | 0 | 112.6 | Q151 S152 L153 I159 M262 V263 L266 Y267 V279 L323 | Q151-F155 WeakPolarHBondContact O-CD2 3.43Å; Q151-F155 PolarHBondContact O-N 2.83Å; S152-F155 PolarHBondContact O-N 2.88Å; L153-F155 PolarHBondContact O-N 3.19Å; F155-I159 WeakPolarHBondContact O-CB 3.15Å; F155-I159 WeakPolarHBondContact O-CG2 3.42Å; F155-I159 PolarHBondContact O-N 3.46Å; F155-M262 HydrophobicContact CE1-CB 3.71Å; F155-M262 HydrophobicContact CE1-CE 4.5Å; F155-M262 HydrophobicContact CE1-SD 4.48Å; F155-M262 HydrophobicContact CZ-CB 3.62Å; F155-M262 HydrophobicContact CZ-CE 4.41Å; F155-V263 HydrophobicContact CB-CG2 4.05Å; F155-V263 HydrophobicContact CD1-CG2 3.66Å; F155-V263 HydrophobicContact CD2-CG2 3.7Å; F155-V263 HydrophobicContact CE1-CG2 3.96Å; F155-V263 HydrophobicContact CE2-CG2 3.99Å; F155-V263 HydrophobicContact CG-CG2 3.53Å; F155-V263 HydrophobicContact CZ-CG2 4.11Å; F155-L266 HydrophobicContact CE2-CD2 3.74Å; F155-L266 HydrophobicContact CZ-CD2 4.18Å; F155-Y267 AromaticContact CD2-CE2 3.93Å; F155-Y267 HydrophobicContact CD2-CE2 3.93Å; F155-Y267 HydrophobicContact CE2-CE2 4.02Å; F155-V279 HydrophobicContact CB-CG2 3.92Å; F155-L323 HydrophobicContact CD1-CD1 4.27Å; F155-L323 HydrophobicContact CE1-CD1 3.73Å; F155-L323 HydrophobicContact CE1-CD2 4.18Å; F155-L323 HydrophobicContact CE2-CD1 4.45Å; F155-L323 HydrophobicContact CE2-CD2 3.63Å; F155-L323 HydrophobicContact CZ-CD1 3.84Å; F155-L323 HydrophobicContact CZ-CD2 3.41Å; F155-L323 VanDerWaalsContact CZ-CD2 3.41Å; F155-L323 HydrophobicContact CZ-CG 4.31Å |
| 156 | I | 92.5 | Very high | 89.4 | Confident | 25 Ų | 25 | 31.6 Ų | 31.6 | 13% | 0.128 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.4 | -51.2 | 177.4 | -76.8 | 167.2 | 0 | 0 | 0 | 110.7 | S152 L153 I159 T160 M282 | S152-I156 VanDerWaalsContact O-CB 3.28Å; S152-I156 WeakPolarHBondContact O-CB 3.16Å; S152-I156 WeakPolarHBondContact O-CD1 3.47Å; S152-I156 WeakPolarHBondContact O-CG1 3.38Å; S152-I156 PolarHBondContact O-N 3.37Å; L153-I156 PolarHBondContact O-N 3.16Å; I156-I159 WeakPolarHBondContact O-CG2 3.37Å; I156-T160 WeakPolarHBondContact O-CB 3.41Å; I156-T160 PolarHBondContact O-N 3.39Å; I156-T160 PolarHBondContact O-OG1 2.88Å; I156-M282 HydrophobicContact CB-CG 4.38Å; I156-M282 HydrophobicContact CG1-CG 4.19Å; I156-M282 HydrophobicContact CG2-CB 3.99Å; I156-M282 HydrophobicContact CG2-CE 3.75Å; I156-M282 HydrophobicContact CG2-CG 3.56Å; I156-M282 HydrophobicContact CG2-SD 4.16Å |
| 157 | T | 92.7 | Very high | 90.1 | Very high | 28 Ų | 28 | 25.6 Ų | 25.6 | 17% | 0.172 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.9 | -45.9 | 178.7 | 56.5 | 0 | 0 | 0 | 0 | 110.1 | L153 T154 I159 T160 C161 | L153-T157 HydrophobicContact CD1-CG2 4.21Å; L153-T157 HydrophobicContact CG-CG2 4.39Å; L153-T157 WeakPolarHBondContact O-CG2 3.49Å; L153-T157 PolarHBondContact O-N 3.31Å; L153-T157 PolarHBondContact O-OG1 3.16Å; T154-T157 PolarHBondContact O-OG1 2.91Å; T157-I159 PolarHBondContact O-N 3.28Å; T157-T160 WeakPolarHBondContact O-CB 3.23Å; T157-T160 PolarHBondContact O-N 3.36Å; T157-C161 PolarHBondContact O-N 2.98Å; T157-C161 PolarHBondContact O-SG 2.67Å; T157-C161 VanDerWaalsContact O-SG 3.33Å |
| 158 | G | 93.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.7 | -42.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | T154 T160 T162 K259 D315 | T154-G158 WeakPolarHBondContact O-CA 3.43Å; T154-G158 PolarHBondContact O-N 3.34Å; G158-T160 VanDerWaalsContact C-N 3.32Å; G158-T162 PolarHBondContact O-N 3.49Å; G158-T162 PolarHBondContact O-OG1 3.49Å; G158-T162 VanDerWaalsContact O-OG1 3.11Å; G158-K259 PolarHBondContact O-NZ 3.31Å; G158-D315 WeakPolarHBondContact CA-OD1 3.34Å |
| 159 | I | 93.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -69.9 | -34 | 177.4 | -155.3 | 68.2 | 0 | 0 | 0 | 111.5 | F155 I156 T157 T162 T163 F256 K259 Y260 V279 M282 | F155-I159 WeakPolarHBondContact O-CB 3.15Å; F155-I159 WeakPolarHBondContact O-CG2 3.42Å; F155-I159 PolarHBondContact O-N 3.46Å; I156-I159 WeakPolarHBondContact O-CG2 3.37Å; T157-I159 PolarHBondContact O-N 3.28Å; I159-T162 PolarHBondContact O-N 2.59Å; I159-T163 VanDerWaalsContact O-CB 3.31Å; I159-T163 WeakPolarHBondContact O-CB 3.39Å; I159-T163 PolarHBondContact O-N 2.87Å; I159-T163 PolarHBondContact O-OG1 2.73Å; I159-F256 HydrophobicContact CD1-CD1 3.57Å; I159-F256 HydrophobicContact CD1-CE1 3.75Å; I159-F256 HydrophobicContact CG1-CD1 4.44Å; I159-F256 HydrophobicContact CG1-CE1 4.18Å; I159-K259 HydrophobicContact CD1-CB 4.31Å; I159-K259 HydrophobicContact CD1-CD 4.26Å; I159-Y260 HydrophobicContact CD1-CE2 4.11Å; I159-V279 HydrophobicContact CB-CG1 3.77Å; I159-V279 HydrophobicContact CD1-CG1 4.4Å; I159-V279 HydrophobicContact CG1-CG1 3.78Å; I159-V279 HydrophobicContact CG2-CB 4.42Å; I159-V279 HydrophobicContact CG2-CG1 3.64Å; I159-V279 VanDerWaalsContact CG2-O 3.28Å; I159-V279 WeakPolarHBondContact CG2-O 3.46Å; I159-M282 HydrophobicContact CG2-CB 4.44Å |
| 160 | T | 94.5 | Very high | 91.2 | Very high | 28 Ų | 28 | 19.1 Ų | 19.1 | 17% | 0.172 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.7 | -47.6 | 177.4 | -56.4 | 0 | 0 | 0 | 0 | 109.4 | I156 T157 G158 T163 F164 M282 | I156-T160 WeakPolarHBondContact O-CB 3.41Å; I156-T160 PolarHBondContact O-N 3.39Å; I156-T160 PolarHBondContact O-OG1 2.88Å; T157-T160 WeakPolarHBondContact O-CB 3.23Å; T157-T160 PolarHBondContact O-N 3.36Å; G158-T160 VanDerWaalsContact C-N 3.32Å; T160-T163 PolarHBondContact O-N 2.96Å; T160-F164 VanDerWaalsContact O-CB 3.27Å; T160-F164 WeakPolarHBondContact O-CB 3.18Å; T160-F164 PolarHBondContact O-N 3.32Å; T160-M282 PolarHBondContact OG1-O 3.25Å |
| 161 | C | 94.4 | Very high | 91.1 | Very high | 17 Ų | 17 | 23.4 Ų | 23.4 | 12% | 0.115 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.1 | -50 | 174.9 | -66.6 | 0 | 0 | 0 | 0 | 112.2 | T157 T163 F164 I165 D315 | T157-C161 PolarHBondContact O-N 2.98Å; T157-C161 PolarHBondContact O-SG 2.67Å; T157-C161 VanDerWaalsContact O-SG 3.33Å; C161-T163 VanDerWaalsContact C-N 3.28Å; C161-T163 PolarHBondContact O-N 3.11Å; C161-F164 WeakPolarHBondContact O-CB 3.34Å; C161-F164 PolarHBondContact O-N 2.95Å; C161-I165 WeakPolarHBondContact O-CD1 3.48Å; C161-I165 VanDerWaalsContact O-CG1 3.26Å; C161-I165 WeakPolarHBondContact O-CG1 3.47Å; C161-I165 PolarHBondContact O-N 3.17Å; C161-D315 HydrophobicContact CB-CB 4.22Å |
| 162 | T | 93.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59 | -41.5 | 178.4 | -63.3 | 0 | 0 | 0 | 0 | 111.9 | G158 I159 I165 V166 C252 L255 F256 K259 | G158-T162 PolarHBondContact O-N 3.49Å; G158-T162 PolarHBondContact O-OG1 3.49Å; G158-T162 VanDerWaalsContact O-OG1 3.11Å; I159-T162 PolarHBondContact O-N 2.59Å; T162-I165 PolarHBondContact O-N 3.23Å; T162-V166 WeakPolarHBondContact O-CG2 3.42Å; T162-V166 PolarHBondContact O-N 2.87Å; T162-C252 HydrophobicContact CG2-CB 4.43Å; T162-L255 HydrophobicContact CG2-CB 3.7Å; T162-L255 HydrophobicContact CG2-CD1 4.13Å; T162-F256 HydrophobicContact CG2-CD1 4.5Å; T162-F256 HydrophobicContact CG2-CD2 3.91Å; T162-F256 HydrophobicContact CG2-CE1 4.37Å; T162-F256 HydrophobicContact CG2-CE2 3.78Å; T162-F256 HydrophobicContact CG2-CG 4.28Å; T162-F256 HydrophobicContact CG2-CZ 4.02Å; T162-K259 PolarHBondContact OG1-NZ 2.84Å |
| 163 | T | 93.6 | Very high | 90.3 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.018 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -69.1 | -42.2 | 179.1 | -50.4 | 0 | 0 | 0 | 0 | 111.2 | I159 T160 C161 I165 V166 Y167 F256 S283 | I159-T163 VanDerWaalsContact O-CB 3.31Å; I159-T163 WeakPolarHBondContact O-CB 3.39Å; I159-T163 PolarHBondContact O-N 2.87Å; I159-T163 PolarHBondContact O-OG1 2.73Å; T160-T163 PolarHBondContact O-N 2.96Å; C161-T163 VanDerWaalsContact C-N 3.28Å; C161-T163 PolarHBondContact O-N 3.11Å; T163-I165 VanDerWaalsContact C-N 3.3Å; T163-I165 PolarHBondContact O-N 3.47Å; T163-V166 PolarHBondContact O-N 2.59Å; T163-Y167 HydrophobicContact CG2-CD2 3.37Å; T163-Y167 HydrophobicContact CG2-CE2 3.43Å; T163-Y167 VanDerWaalsContact CG2-CE2 3.43Å; T163-Y167 WeakPolarHBondContact O-CD2 2.95Å; T163-Y167 PolarHBondContact O-N 3.27Å; T163-F256 HydrophobicContact CG2-CZ 4.23Å; T163-F256 WeakPolarHBondContact OG1-CE1 3.46Å; T163-F256 WeakPolarHBondContact OG1-CZ 3.19Å; T163-S283 WeakPolarHBondContact CB-O 3.44Å; T163-S283 WeakPolarHBondContact CG2-O 3.47Å; T163-S283 WeakPolarHBondContact OG1-CB 3.23Å |
| 164 | F | 94.2 | Very high | 89.3 | Confident | 29 Ų | 29 | 26.3 Ų | 26.3 | 13% | 0.127 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -56.4 | -45.6 | 175.3 | -176.9 | -118.6 | 0 | 0 | 0 | 111.6 | T160 C161 S168 G286 F289 S290 L293 V307 L308 | T160-F164 VanDerWaalsContact O-CB 3.27Å; T160-F164 WeakPolarHBondContact O-CB 3.18Å; T160-F164 PolarHBondContact O-N 3.32Å; C161-F164 WeakPolarHBondContact O-CB 3.34Å; C161-F164 PolarHBondContact O-N 2.95Å; F164-S168 WeakPolarHBondContact O-CB 3.41Å; F164-S168 PolarHBondContact O-N 3.05Å; F164-S168 VanDerWaalsContact O-N 3.1Å; F164-S168 PolarHBondContact O-OG 2.99Å; F164-G286 WeakPolarHBondContact CD2-O 3.47Å; F164-F289 HydrophobicContact CD2-CB 4.21Å; F164-F289 HydrophobicContact CE2-CB 3.96Å; F164-F289 WeakPolarHBondContact CE2-O 3.4Å; F164-S290 WeakPolarHBondContact CA-OG 3.4Å; F164-S290 PolarHBondContact O-OG 3.02Å; F164-L293 HydrophobicContact CE1-CD1 4.28Å; F164-L293 HydrophobicContact CE1-CD2 4.09Å; F164-L293 HydrophobicContact CE2-CB 4.31Å; F164-L293 HydrophobicContact CZ-CB 3.94Å; F164-L293 HydrophobicContact CZ-CD1 3.85Å; F164-L293 HydrophobicContact CZ-CD2 3.91Å; F164-L293 HydrophobicContact CZ-CG 4.1Å; F164-V307 HydrophobicContact CE1-CG1 4.42Å; F164-L308 HydrophobicContact CD1-CD2 3.7Å; F164-L308 HydrophobicContact CE1-CD2 3.68Å |
| 165 | I | 93.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.1 | -52.2 | 177.8 | -64.8 | 159.2 | 0 | 0 | 0 | 111.4 | C161 T162 T163 Y167 S168 L169 L225 L308 Q312 | C161-I165 WeakPolarHBondContact O-CD1 3.48Å; C161-I165 VanDerWaalsContact O-CG1 3.26Å; C161-I165 WeakPolarHBondContact O-CG1 3.47Å; C161-I165 PolarHBondContact O-N 3.17Å; T162-I165 PolarHBondContact O-N 3.23Å; T163-I165 VanDerWaalsContact C-N 3.3Å; T163-I165 PolarHBondContact O-N 3.47Å; I165-Y167 PolarHBondContact O-N 3.04Å; I165-S168 PolarHBondContact O-N 3.45Å; I165-L169 HydrophobicContact CG2-CD1 3.85Å; I165-L169 HydrophobicContact CG2-CG 4.4Å; I165-L169 WeakPolarHBondContact O-CG 3.45Å; I165-L169 PolarHBondContact O-N 2.95Å; I165-L225 HydrophobicContact CG2-CD1 4.33Å; I165-L308 HydrophobicContact CB-CD2 4.38Å; I165-L308 HydrophobicContact CG1-CB 4.25Å; I165-L308 HydrophobicContact CG1-CD2 3.89Å; I165-Q312 HydrophobicContact CD1-CB 3.76Å; I165-Q312 HydrophobicContact CD1-CG 4.29Å |
| 166 | V | 91.2 | Very high | 87.2 | Confident | 6 Ų | 6 | 33.9 Ų | 33.9 | 4% | 0.036 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.6 | -50.3 | -175.5 | 168.6 | 0 | 0 | 0 | 0 | 112 | T162 T163 S168 L169 M170 C252 F256 | T162-V166 WeakPolarHBondContact O-CG2 3.42Å; T162-V166 PolarHBondContact O-N 2.87Å; T163-V166 PolarHBondContact O-N 2.59Å; V166-S168 VanDerWaalsContact C-N 3.32Å; V166-S168 PolarHBondContact O-N 3.4Å; V166-L169 PolarHBondContact O-N 2.97Å; V166-M170 HydrophobicContact CG1-CG 4.35Å; V166-M170 HydrophobicContact CG1-SD 3.85Å; V166-M170 WeakPolarHBondContact O-CB 3.33Å; V166-M170 VanDerWaalsContact O-CG 3.29Å; V166-M170 WeakPolarHBondContact O-CG 3.31Å; V166-M170 PolarHBondContact O-N 3.05Å; V166-C252 HydrophobicContact CG2-CB 3.08Å; V166-F256 HydrophobicContact CB-CE2 4.22Å; V166-F256 HydrophobicContact CG1-CE2 4.45Å; V166-F256 HydrophobicContact CG2-CE2 3.88Å |
| 167 | Y | 90.7 | Very high | 85.8 | Confident | 67 Ų | 67 | 37 Ų | 37 | 26% | 0.263 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -68.8 | -35 | -178.2 | -78.7 | -83 | 0 | 0 | 0 | 111.3 | T163 I165 M170 Y171 S290 | T163-Y167 HydrophobicContact CG2-CD2 3.37Å; T163-Y167 HydrophobicContact CG2-CE2 3.43Å; T163-Y167 VanDerWaalsContact CG2-CE2 3.43Å; T163-Y167 WeakPolarHBondContact O-CD2 2.95Å; T163-Y167 PolarHBondContact O-N 3.27Å; I165-Y167 PolarHBondContact O-N 3.04Å; Y167-M170 PolarHBondContact O-N 2.84Å; Y167-Y171 HydrophobicContact CD1-CE2 4.31Å; Y167-Y171 WeakPolarHBondContact O-CD2 3.35Å; Y167-Y171 PolarHBondContact O-N 3.44Å; Y167-S290 WeakPolarHBondContact CB-OG 3.28Å |
| 168 | S | 91.3 | Very high | 85 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.5 | -51 | 174.4 | -61.6 | 0 | 0 | 0 | 0 | 110.8 | F164 I165 V166 M170 Y171 N172 S290 F294 | F164-S168 WeakPolarHBondContact O-CB 3.41Å; F164-S168 PolarHBondContact O-N 3.05Å; F164-S168 VanDerWaalsContact O-N 3.1Å; F164-S168 PolarHBondContact O-OG 2.99Å; I165-S168 PolarHBondContact O-N 3.45Å; V166-S168 VanDerWaalsContact C-N 3.32Å; V166-S168 PolarHBondContact O-N 3.4Å; S168-M170 VanDerWaalsContact C-N 3.32Å; S168-M170 PolarHBondContact O-N 3.25Å; S168-Y171 PolarHBondContact O-N 3.03Å; S168-N172 PolarHBondContact O-N 3.11Å; S168-N172 VanDerWaalsContact O-N 3.16Å; S168-S290 WeakPolarHBondContact OG-CA 3.35Å; S168-S290 WeakPolarHBondContact OG-CB 3.31Å; S168-S290 PolarHBondContact OG-O 3.38Å; S168-F294 WeakPolarHBondContact O-CE2 3.3Å; S168-F294 WeakPolarHBondContact O-CZ 3.33Å |
| 169 | L | 89.1 | Confident | 84.5 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.9 | -37.8 | 178.4 | -67 | 177.4 | 0 | 0 | 0 | 112.5 | I165 V166 N172 M173 L225 T245 A248 V249 Y305 L308 | I165-L169 HydrophobicContact CG2-CD1 3.85Å; I165-L169 HydrophobicContact CG2-CG 4.4Å; I165-L169 WeakPolarHBondContact O-CG 3.45Å; I165-L169 PolarHBondContact O-N 2.95Å; V166-L169 PolarHBondContact O-N 2.97Å; L169-N172 PolarHBondContact O-N 3.4Å; L169-M173 WeakPolarHBondContact O-CG 3.24Å; L169-M173 PolarHBondContact O-N 2.85Å; L169-L225 HydrophobicContact CD1-CD2 4.31Å; L169-L225 HydrophobicContact CD2-CD2 4.25Å; L169-T245 HydrophobicContact CB-CG2 4.13Å; L169-T245 HydrophobicContact CD2-CG2 4.35Å; L169-A248 HydrophobicContact CD1-CB 3.63Å; L169-V249 HydrophobicContact CB-CG2 3.46Å; L169-V249 VanDerWaalsContact CB-CG2 3.46Å; L169-V249 HydrophobicContact CD1-CG2 3.71Å; L169-V249 HydrophobicContact CG-CG2 4.25Å; L169-Y305 HydrophobicContact CD2-CD1 4.15Å; L169-Y305 HydrophobicContact CD2-CE1 3.7Å; L169-L308 HydrophobicContact CD2-CD1 4.01Å; L169-L308 HydrophobicContact CG-CD1 4.17Å |
| 170 | M | 86.3 | Confident | 84.1 | Confident | 56 Ų | 56 | 44.6 Ų | 44.6 | 28% | 0.276 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.9 | -40.8 | 176.6 | -74.4 | -176.3 | 72.1 | 0 | 0 | 112.9 | L44 V166 Y167 S168 N172 M173 M187 | L44-M170 HydrophobicContact CD2-CE 4.37Å; V166-M170 HydrophobicContact CG1-CG 4.35Å; V166-M170 HydrophobicContact CG1-SD 3.85Å; V166-M170 WeakPolarHBondContact O-CB 3.33Å; V166-M170 VanDerWaalsContact O-CG 3.29Å; V166-M170 WeakPolarHBondContact O-CG 3.31Å; V166-M170 PolarHBondContact O-N 3.05Å; Y167-M170 PolarHBondContact O-N 2.84Å; S168-M170 VanDerWaalsContact C-N 3.32Å; S168-M170 PolarHBondContact O-N 3.25Å; M170-N172 VanDerWaalsContact C-N 3.27Å; M170-N172 PolarHBondContact O-N 3.02Å; M170-M173 WeakPolarHBondContact O-CB 3.37Å; M170-M173 PolarHBondContact O-N 3.37Å; M170-M187 HydrophobicContact CE-CE 3.99Å; M170-M187 HydrophobicContact CG-CE 4.32Å; M170-M187 HydrophobicContact CG-SD 4.27Å |
| 171 | Y | 83.4 | Confident | 83.8 | Confident | 117 Ų | 117 | 46.6 Ų | 46.6 | 46% | 0.459 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.4 | -30.8 | 176.6 | -74.1 | -58.3 | 0 | 0 | 0 | 112.3 | Y167 S168 M173 P291 | Y167-Y171 HydrophobicContact CD1-CE2 4.31Å; Y167-Y171 WeakPolarHBondContact O-CD2 3.35Å; Y167-Y171 PolarHBondContact O-N 3.44Å; S168-Y171 PolarHBondContact O-N 3.03Å; Y171-M173 VanDerWaalsContact C-N 3.27Å; Y171-M173 PolarHBondContact O-N 2.9Å; Y171-P291 HydrophobicContact CD2-CB 4.45Å; Y171-P291 HydrophobicContact CD2-CG 3.92Å; Y171-P291 HydrophobicContact CE2-CG 3.54Å |
| 172 | N | 80.8 | Confident | 83.4 | Confident | 17 Ų | 17 | 54.7 Ų | 54.7 | 9% | 0.091 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -78.1 | -8.4 | 175.8 | -160.8 | 63 | 0 | 0 | 0 | 113.8 | S168 L169 M170 E174 K175 L176 F294 Y305 | S168-N172 PolarHBondContact O-N 3.11Å; S168-N172 VanDerWaalsContact O-N 3.16Å; L169-N172 PolarHBondContact O-N 3.4Å; M170-N172 VanDerWaalsContact C-N 3.27Å; M170-N172 PolarHBondContact O-N 3.02Å; N172-E174 PolarHBondContact O-N 3.48Å; N172-K175 PolarHBondContact O-N 2.96Å; N172-K175 WeakPolarHBondContact OD1-CD 3.08Å; N172-L176 WeakPolarHBondContact O-CD1 3.32Å; N172-F294 HydrophobicContact CB-CD1 4.37Å; N172-F294 HydrophobicContact CB-CE1 3.64Å; N172-F294 HydrophobicContact CB-CE2 4.06Å; N172-F294 HydrophobicContact CB-CZ 3.48Å; N172-F294 VanDerWaalsContact CB-CZ 3.48Å; N172-Y305 PolarHBondContact ND2-OH 3.22Å |
| 173 | M | 74.9 | Confident | 83.1 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -64.5 | -23.1 | 179.6 | -73.5 | -162.3 | 111.4 | 0 | 0 | 113.9 | L169 M170 Y171 K175 L176 N183 L184 M187 T245 V246 | L169-M173 WeakPolarHBondContact O-CG 3.24Å; L169-M173 PolarHBondContact O-N 2.85Å; M170-M173 WeakPolarHBondContact O-CB 3.37Å; M170-M173 PolarHBondContact O-N 3.37Å; Y171-M173 VanDerWaalsContact C-N 3.27Å; Y171-M173 PolarHBondContact O-N 2.9Å; M173-K175 PolarHBondContact O-N 2.67Å; M173-L176 PolarHBondContact O-N 2.9Å; M173-N183 HydrophobicContact CE-CB 4.35Å; M173-L184 HydrophobicContact SD-CD2 4.14Å; M173-M187 HydrophobicContact CE-CB 4.05Å; M173-M187 HydrophobicContact CE-CG 4.44Å; M173-M187 HydrophobicContact CE-SD 3.86Å; M173-M187 HydrophobicContact SD-CE 3.72Å; M173-M187 HydrophobicContact SD-SD 3.41Å; M173-T245 HydrophobicContact CG-CG2 4.47Å; M173-V246 HydrophobicContact CE-CG2 4.11Å |
| 174 | E | 69.1 | Low | 82.9 | Confident | 151 Ų | 151 | 57.4 Ų | 57.4 | 71% | 0.706 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -66 | -26.9 | 174 | -67.9 | -178 | -177.1 | 0 | 0 | 112.3 | N172 L180 | N172-E174 PolarHBondContact O-N 3.48Å; E174-L180 HydrophobicContact CG-CD1 3.96Å |
| 175 | K | 68.5 | Low | 82.7 | Confident | 144 Ų | 144 | 57 Ų | 57 | 63% | 0.626 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -82.8 | -11.8 | 177.7 | -59.9 | -166.4 | -173.5 | 177.7 | 0 | 113.2 | N172 M173 | N172-K175 PolarHBondContact O-N 2.96Å; N172-K175 WeakPolarHBondContact OD1-CD 3.08Å; M173-K175 PolarHBondContact O-N 2.67Å |
| 176 | L | 69.5 | Low | 82.5 | Confident | 21 Ų | 21 | 61.3 Ų | 61.3 | 11% | 0.11 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -72.7 | 137.8 | 176.9 | -90.4 | 60.2 | 0 | 0 | 0 | 110.1 | N172 M173 G178 A242 | N172-L176 WeakPolarHBondContact O-CD1 3.32Å; M173-L176 PolarHBondContact O-N 2.9Å; L176-G178 PolarHBondContact O-N 3.33Å; L176-A242 HydrophobicContact CD2-CB 3.61Å; L176-A242 HydrophobicContact CG-CB 4.14Å |
| 177 | S | 64.3 | Low | 82.4 | Confident | 91 Ų | 91 | 61 Ų | 61 | 64% | 0.636 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -58.7 | 130.9 | 174.1 | 58.2 | 0 | 0 | 0 | 0 | 111.4 | ||
| 178 | G | 74.7 | Confident | 82.4 | Confident | 67 Ų | 67 | 57.9 Ų | 57.9 | 69% | 0.691 | 30% | 0.298 | S | S | * | . | S | Bend | trans | 126.1 | -178.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L176 | L176-G178 PolarHBondContact O-N 3.33Š|
| 179 | S | 84.4 | Confident | 82.4 | Confident | 49 Ų | 49 | 59.4 Ų | 59.4 | 34% | 0.343 | 31% | 0.311 | S | S | . | . | trans | -77.6 | 136.6 | 173.5 | 80.6 | 0 | 0 | 0 | 0 | 110.2 | Y181 W182 N183 | S179-Y181 PolarHBondContact O-N 3.27Å; S179-W182 PolarHBondContact O-N 2.9Å; S179-W182 VanDerWaalsContact OG-CB 3.28Å; S179-W182 WeakPolarHBondContact OG-CB 3.47Å; S179-W182 PolarHBondContact OG-N 3.05Å; S179-W182 VanDerWaalsContact OG-N 3.12Å; S179-N183 PolarHBondContact O-N 3.36Å; S179-N183 VanDerWaalsContact O-N 3.1Å | ||
| 180 | L | 84.4 | Confident | 82.6 | Confident | 70 Ų | 70 | 60.6 Ų | 60.6 | 37% | 0.366 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -52.7 | -40.6 | 174.4 | -177.7 | 63.5 | 0 | 0 | 0 | 112.3 | E174 N183 L184 | E174-L180 HydrophobicContact CG-CD1 3.96Å; L180-N183 PolarHBondContact O-N 2.84Å; L180-L184 HydrophobicContact CD1-CD1 4.29Å; L180-L184 HydrophobicContact CD1-CG 4.38Å; L180-L184 HydrophobicContact CG-CD1 4.15Å; L180-L184 WeakPolarHBondContact O-CG 3.46Å; L180-L184 PolarHBondContact O-N 3.37Å |
| 181 | Y | 87.9 | Confident | 82.8 | Confident | 71 Ų | 71 | 58.9 Ų | 58.9 | 28% | 0.278 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.4 | -50.1 | -179.3 | -56.4 | -70.2 | 0 | 0 | 0 | 112.6 | P48 A51 W52 S179 L184 A185 | P48-Y181 HydrophobicContact CB-CD1 4.4Å; P48-Y181 WeakPolarHBondContact CB-O 3.43Å; P48-Y181 WeakPolarHBondContact O-CD1 3.28Å; A51-Y181 HydrophobicContact CB-CD1 4.08Å; A51-Y181 HydrophobicContact CB-CE1 3.62Å; W52-Y181 HydrophobicContact CB-CD1 3.94Å; W52-Y181 HydrophobicContact CB-CD2 4.37Å; W52-Y181 HydrophobicContact CB-CE1 4.24Å; W52-Y181 HydrophobicContact CB-CG 4.01Å; W52-Y181 AromaticContact CD1-CD2 3.96Å; S179-Y181 PolarHBondContact O-N 3.27Å; Y181-L184 PolarHBondContact O-N 2.92Å; Y181-A185 WeakPolarHBondContact O-CB 3.27Å; Y181-A185 PolarHBondContact O-N 3.23Å |
| 182 | W | 86.9 | Confident | 83.2 | Confident | 187 Ų | 187 | 58 Ų | 58 | 71% | 0.708 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64 | -40.6 | 177 | -76.9 | 118.9 | 0 | 0 | 0 | 112.4 | S179 L184 A185 I186 | S179-W182 PolarHBondContact O-N 2.9Å; S179-W182 VanDerWaalsContact OG-CB 3.28Å; S179-W182 WeakPolarHBondContact OG-CB 3.47Å; S179-W182 PolarHBondContact OG-N 3.05Å; S179-W182 VanDerWaalsContact OG-N 3.12Å; W182-L184 VanDerWaalsContact C-N 3.35Å; W182-L184 PolarHBondContact O-N 2.65Å; W182-A185 PolarHBondContact O-N 3.17Å; W182-I186 WeakPolarHBondContact O-CB 3.48Å; W182-I186 VanDerWaalsContact O-CG1 3.26Å; W182-I186 WeakPolarHBondContact O-CG1 3.47Å; W182-I186 PolarHBondContact O-N 3.35Å |
| 183 | N | 87.2 | Confident | 83.8 | Confident | 26 Ų | 26 | 62.5 Ų | 62.5 | 14% | 0.139 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 178.4 | -71.5 | -12.2 | 0 | 0 | 0 | 111.6 | M173 S179 L180 M187 | M173-N183 HydrophobicContact CE-CB 4.35Å; S179-N183 PolarHBondContact O-N 3.36Å; S179-N183 VanDerWaalsContact O-N 3.1Å; L180-N183 PolarHBondContact O-N 2.84Å; N183-M187 WeakPolarHBondContact O-CB 3.38Å; N183-M187 PolarHBondContact O-N 2.89Å; N183-M187 VanDerWaalsContact O-N 3.11Å |
| 184 | L | 87.9 | Confident | 84.5 | Confident | 34 Ų | 34 | 64.2 Ų | 64.2 | 18% | 0.178 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.9 | -40.8 | 175.2 | -71.5 | 175.7 | 0 | 0 | 0 | 112.4 | P48 M173 L180 Y181 W182 M187 G188 | P48-L184 HydrophobicContact CB-CB 3.93Å; P48-L184 HydrophobicContact CB-CD1 4.47Å; P48-L184 HydrophobicContact CG-CB 4.01Å; M173-L184 HydrophobicContact SD-CD2 4.14Å; L180-L184 HydrophobicContact CD1-CD1 4.29Å; L180-L184 HydrophobicContact CD1-CG 4.38Å; L180-L184 HydrophobicContact CG-CD1 4.15Å; L180-L184 WeakPolarHBondContact O-CG 3.46Å; L180-L184 PolarHBondContact O-N 3.37Å; Y181-L184 PolarHBondContact O-N 2.92Å; W182-L184 VanDerWaalsContact C-N 3.35Å; W182-L184 PolarHBondContact O-N 2.65Å; L184-M187 HydrophobicContact CD2-CE 3.5Å; L184-M187 VanDerWaalsContact CD2-CE 3.5Å; L184-M187 PolarHBondContact O-N 3.33Å; L184-G188 PolarHBondContact O-N 2.95Å |
| 185 | A | 90.3 | Very high | 85.6 | Confident | 20 Ų | 20 | 57.1 Ų | 57.1 | 17% | 0.165 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.4 | -44.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | P48 Y181 W182 M187 G188 A189 | P48-A185 HydrophobicContact CG-CB 4.02Å; Y181-A185 WeakPolarHBondContact O-CB 3.27Å; Y181-A185 PolarHBondContact O-N 3.23Å; W182-A185 PolarHBondContact O-N 3.17Å; A185-M187 VanDerWaalsContact C-N 3.33Å; A185-M187 PolarHBondContact O-N 3.3Å; A185-G188 PolarHBondContact O-N 3.41Å; A185-A189 WeakPolarHBondContact O-CB 3.45Å; A185-A189 PolarHBondContact O-N 3.21Å |
| 186 | I | 89.4 | Confident | 86.6 | Confident | 91 Ų | 91 | 52.5 Ų | 52.5 | 47% | 0.467 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 176.1 | -69.5 | 166.2 | 0 | 0 | 0 | 110.3 | W182 A189 S190 V246 | W182-I186 WeakPolarHBondContact O-CB 3.48Å; W182-I186 VanDerWaalsContact O-CG1 3.26Å; W182-I186 WeakPolarHBondContact O-CG1 3.47Å; W182-I186 PolarHBondContact O-N 3.35Å; I186-A189 PolarHBondContact O-N 3.28Å; I186-S190 WeakPolarHBondContact O-CB 3.37Å; I186-S190 PolarHBondContact O-N 3.42Å; I186-S190 PolarHBondContact O-OG 2.9Å; I186-V246 HydrophobicContact CG2-CG1 4.47Å |
| 187 | M | 88.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 175.8 | 178 | -176.6 | 65.1 | 0 | 0 | 112.7 | L44 M170 M173 N183 L184 A185 A189 S190 R191 V249 | L44-M187 HydrophobicContact CD2-CE 4.49Å; M170-M187 HydrophobicContact CE-CE 3.99Å; M170-M187 HydrophobicContact CG-CE 4.32Å; M170-M187 HydrophobicContact CG-SD 4.27Å; M173-M187 HydrophobicContact CE-CB 4.05Å; M173-M187 HydrophobicContact CE-CG 4.44Å; M173-M187 HydrophobicContact CE-SD 3.86Å; M173-M187 HydrophobicContact SD-CE 3.72Å; M173-M187 HydrophobicContact SD-SD 3.41Å; N183-M187 WeakPolarHBondContact O-CB 3.38Å; N183-M187 PolarHBondContact O-N 2.89Å; N183-M187 VanDerWaalsContact O-N 3.11Å; L184-M187 HydrophobicContact CD2-CE 3.5Å; L184-M187 VanDerWaalsContact CD2-CE 3.5Å; L184-M187 PolarHBondContact O-N 3.33Å; A185-M187 VanDerWaalsContact C-N 3.33Å; A185-M187 PolarHBondContact O-N 3.3Å; M187-A189 VanDerWaalsContact C-N 3.34Å; M187-S190 WeakPolarHBondContact CA-OG 3.49Å; M187-S190 PolarHBondContact O-OG 2.91Å; M187-R191 WeakPolarHBondContact O-CB 3.39Å; M187-R191 WeakPolarHBondContact O-CD 3.43Å; M187-R191 WeakPolarHBondContact O-CG 3.5Å; M187-R191 PolarHBondContact O-N 3.38Å; M187-V249 HydrophobicContact CG-CB 4.35Å; M187-V249 HydrophobicContact CG-CG1 3.93Å; M187-V249 HydrophobicContact SD-CB 4Å; M187-V249 HydrophobicContact SD-CG1 3.43Å; M187-V249 WeakPolarHBondContact SD-CG1 3.04Å; M187-V249 HydrophobicContact SD-CG2 4.33Å |
| 188 | G | 90.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | I45 L184 A185 R191 W192 | I45-G188 VanDerWaalsContact CG1-C 3.41Å; L184-G188 PolarHBondContact O-N 2.95Å; A185-G188 PolarHBondContact O-N 3.41Å; G188-R191 PolarHBondContact O-N 3.46Å; G188-W192 WeakPolarHBondContact O-CB 3.46Å; G188-W192 PolarHBondContact O-N 2.97Å |
| 189 | A | 92.3 | Very high | 89.3 | Confident | 33 Ų | 33 | 47.8 Ų | 47.8 | 27% | 0.273 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.1 | -46.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I45 A185 I186 M187 R191 W192 I193 | I45-A189 HydrophobicContact CD1-CB 4.32Å; A185-A189 WeakPolarHBondContact O-CB 3.45Å; A185-A189 PolarHBondContact O-N 3.21Å; I186-A189 PolarHBondContact O-N 3.28Å; M187-A189 VanDerWaalsContact C-N 3.34Å; A189-R191 PolarHBondContact O-N 2.86Å; A189-W192 PolarHBondContact O-N 2.97Å; A189-W192 VanDerWaalsContact O-N 3.12Å; A189-I193 VanDerWaalsContact O-CG1 3.28Å; A189-I193 WeakPolarHBondContact O-CG1 3.08Å; A189-I193 PolarHBondContact O-N 2.91Å |
| 190 | S | 91.8 | Very high | 89.4 | Confident | 25 Ų | 25 | 48.9 Ų | 48.9 | 18% | 0.175 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.6 | -42 | 178 | 63.2 | 0 | 0 | 0 | 0 | 111.8 | I186 M187 W192 I193 I194 V246 S250 | I186-S190 WeakPolarHBondContact O-CB 3.37Å; I186-S190 PolarHBondContact O-N 3.42Å; I186-S190 PolarHBondContact O-OG 2.9Å; M187-S190 WeakPolarHBondContact CA-OG 3.49Å; M187-S190 PolarHBondContact O-OG 2.91Å; S190-W192 VanDerWaalsContact C-N 3.31Å; S190-W192 PolarHBondContact O-N 2.69Å; S190-I193 PolarHBondContact O-N 3.46Å; S190-I194 WeakPolarHBondContact O-CB 3.35Å; S190-I194 WeakPolarHBondContact O-CD1 3.37Å; S190-I194 WeakPolarHBondContact O-CG1 3.3Å; S190-I194 PolarHBondContact O-N 2.91Å; S190-V246 VanDerWaalsContact OG-CG1 3.27Å; S190-V246 WeakPolarHBondContact OG-CG1 3.18Å; S190-S250 WeakPolarHBondContact CB-OG 3.44Å; S190-S250 PolarHBondContact OG-OG 3.47Å |
| 191 | R | 91.4 | Very high | 89.5 | Confident | 20 Ų | 20 | 46.6 Ų | 46.6 | 8% | 0.075 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.8 | -43.9 | 171.7 | -77.4 | 171.1 | 74.5 | 95.5 | -4.4 | 111.7 | M187 G188 A189 N195 V249 | M187-R191 WeakPolarHBondContact O-CB 3.39Å; M187-R191 WeakPolarHBondContact O-CD 3.43Å; M187-R191 WeakPolarHBondContact O-CG 3.5Å; M187-R191 PolarHBondContact O-N 3.38Å; G188-R191 PolarHBondContact O-N 3.46Å; A189-R191 PolarHBondContact O-N 2.86Å; R191-N195 VanDerWaalsContact O-CB 3.3Å; R191-N195 WeakPolarHBondContact O-CB 3.49Å; R191-N195 PolarHBondContact O-N 3.33Å; R191-N195 PolarHBondContact O-OD1 2.89Å; R191-V249 PolarHBondContact NH1-O 2.91Å |
| 192 | W | 92.2 | Very high | 89.3 | Confident | 98 Ų | 98 | 44 Ų | 44 | 37% | 0.371 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -70.5 | -43.1 | -176.9 | -165.6 | 37.6 | 0 | 0 | 0 | 112.1 | S37 P42 I45 G188 A189 S190 I194 N195 I196 | S37-W192 PolarHBondContact O-NE1 3.4Å; P42-W192 HydrophobicContact CG-CD2 4.48Å; P42-W192 HydrophobicContact CG-CG 4.45Å; P42-W192 HydrophobicContact CG-CZ2 4.48Å; I45-W192 HydrophobicContact CD1-CB 4.21Å; I45-W192 HydrophobicContact CD1-CD2 4.32Å; I45-W192 HydrophobicContact CD1-CE3 3.77Å; G188-W192 WeakPolarHBondContact O-CB 3.46Å; G188-W192 PolarHBondContact O-N 2.97Å; A189-W192 PolarHBondContact O-N 2.97Å; A189-W192 VanDerWaalsContact O-N 3.12Å; S190-W192 VanDerWaalsContact C-N 3.31Å; S190-W192 PolarHBondContact O-N 2.69Å; W192-I194 PolarHBondContact O-N 3.46Å; W192-N195 PolarHBondContact O-N 3.27Å; W192-I196 HydrophobicContact CD2-CD1 4.01Å; W192-I196 HydrophobicContact CG-CD1 4.21Å; W192-I196 HydrophobicContact CZ2-CD1 4.17Å; W192-I196 WeakPolarHBondContact O-CG1 3.42Å; W192-I196 PolarHBondContact O-N 2.86Å |
| 193 | I | 92.3 | Very high | 89 | Confident | 113 Ų | 113 | 43.7 Ų | 43.7 | 58% | 0.579 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -59.2 | -47.5 | 175.8 | -68 | 164.6 | 0 | 0 | 0 | 110.7 | A189 S190 I196 A197 | A189-I193 VanDerWaalsContact O-CG1 3.28Å; A189-I193 WeakPolarHBondContact O-CG1 3.08Å; A189-I193 PolarHBondContact O-N 2.91Å; S190-I193 PolarHBondContact O-N 3.46Å; I193-I196 PolarHBondContact O-N 3.39Å; I193-A197 WeakPolarHBondContact O-CB 3.48Å; I193-A197 PolarHBondContact O-N 3.24Å |
| 194 | I | 91.3 | Very high | 88.8 | Confident | 37 Ų | 37 | 49.8 Ų | 49.8 | 19% | 0.19 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 178.6 | -74.7 | 160.5 | 0 | 0 | 0 | 111 | S190 W192 I196 A197 V198 M251 | S190-I194 WeakPolarHBondContact O-CB 3.35Å; S190-I194 WeakPolarHBondContact O-CD1 3.37Å; S190-I194 WeakPolarHBondContact O-CG1 3.3Å; S190-I194 PolarHBondContact O-N 2.91Å; W192-I194 PolarHBondContact O-N 3.46Å; I194-I196 VanDerWaalsContact C-N 3.34Å; I194-I196 PolarHBondContact O-N 3.13Å; I194-A197 PolarHBondContact O-N 3.23Å; I194-V198 HydrophobicContact CG2-CG2 4.37Å; I194-V198 WeakPolarHBondContact O-CG2 3.35Å; I194-V198 PolarHBondContact O-N 3.38Å; I194-M251 HydrophobicContact CD1-CE 3.59Å; I194-M251 HydrophobicContact CG1-CE 4.11Å; I194-M251 HydrophobicContact CG2-CE 4.25Å; I194-M251 HydrophobicContact CG2-SD 4.27Å |
| 195 | N | 90.5 | Very high | 88.5 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.011 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59 | -43.8 | 177.1 | -79.2 | 9.6 | 0 | 0 | 0 | 112.3 | N36 S41 R191 W192 S199 S253 I257 | N36-N195 HydrophobicContact CB-CB 3.98Å; N36-N195 WeakPolarHBondContact O-CB 3.47Å; N36-N195 PolarHBondContact O-ND2 3.36Å; S41-N195 PolarHBondContact OG-ND2 3.21Å; R191-N195 VanDerWaalsContact O-CB 3.3Å; R191-N195 WeakPolarHBondContact O-CB 3.49Å; R191-N195 PolarHBondContact O-N 3.33Å; R191-N195 PolarHBondContact O-OD1 2.89Å; W192-N195 PolarHBondContact O-N 3.27Å; N195-S199 WeakPolarHBondContact O-CB 3.38Å; N195-S199 PolarHBondContact O-N 2.96Å; N195-S199 PolarHBondContact O-OG 3.37Å; N195-S253 PolarHBondContact OD1-OG 2.95Å; N195-I257 WeakPolarHBondContact ND2-CD1 3.43Å |
| 196 | I | 90.8 | Very high | 87.7 | Confident | 47 Ų | 47 | 55.5 Ų | 55.5 | 24% | 0.241 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.2 | -47 | 176.9 | -68.7 | 169.6 | 0 | 0 | 0 | 109.9 | W33 W192 I193 I194 V198 S199 I200 | W33-I196 HydrophobicContact CH2-CG2 4.38Å; W192-I196 HydrophobicContact CD2-CD1 4.01Å; W192-I196 HydrophobicContact CG-CD1 4.21Å; W192-I196 HydrophobicContact CZ2-CD1 4.17Å; W192-I196 WeakPolarHBondContact O-CG1 3.42Å; W192-I196 PolarHBondContact O-N 2.86Å; I193-I196 PolarHBondContact O-N 3.39Å; I194-I196 VanDerWaalsContact C-N 3.34Å; I194-I196 PolarHBondContact O-N 3.13Å; I196-V198 VanDerWaalsContact C-N 3.33Å; I196-V198 PolarHBondContact O-N 3.35Å; I196-S199 WeakPolarHBondContact O-CB 3.11Å; I196-S199 PolarHBondContact O-N 3.01Å; I196-I200 HydrophobicContact CG2-CD1 3.9Å; I196-I200 HydrophobicContact CG2-CG1 4.37Å; I196-I200 WeakPolarHBondContact O-CG1 3.33Å; I196-I200 PolarHBondContact O-N 3.32Å |
| 197 | A | 90.6 | Very high | 87 | Confident | 55 Ų | 55 | 59.7 Ų | 59.7 | 46% | 0.455 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.6 | -44.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | I193 I194 S199 I200 A201 | I193-A197 WeakPolarHBondContact O-CB 3.48Å; I193-A197 PolarHBondContact O-N 3.24Å; I194-A197 PolarHBondContact O-N 3.23Å; A197-S199 VanDerWaalsContact C-N 3.32Å; A197-S199 PolarHBondContact O-N 3.06Å; A197-I200 PolarHBondContact O-N 3.01Å; A197-A201 WeakPolarHBondContact O-CB 3.49Å; A197-A201 PolarHBondContact O-N 3.25Å |
| 198 | V | 87.9 | Confident | 86.4 | Confident | 22 Ų | 22 | 61.1 Ų | 61.1 | 13% | 0.133 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65 | -35.7 | 175.9 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | M32 I194 I196 A201 D202 F208 I213 Q254 | M32-V198 HydrophobicContact CE-CG1 4.28Å; I194-V198 HydrophobicContact CG2-CG2 4.37Å; I194-V198 WeakPolarHBondContact O-CG2 3.35Å; I194-V198 PolarHBondContact O-N 3.38Å; I196-V198 VanDerWaalsContact C-N 3.33Å; I196-V198 PolarHBondContact O-N 3.35Å; V198-A201 PolarHBondContact O-N 3.3Å; V198-D202 WeakPolarHBondContact O-CB 3.34Å; V198-D202 PolarHBondContact O-N 3.02Å; V198-F208 HydrophobicContact CG1-CE1 4.31Å; V198-I213 HydrophobicContact CG1-CD1 4.01Å; V198-I213 HydrophobicContact CG1-CG1 4.15Å; V198-I213 HydrophobicContact CG1-CG2 3.9Å; V198-Q254 HydrophobicContact CG1-CG 4.38Å; V198-Q254 HydrophobicContact CG2-CG 4.34Å |
| 199 | S | 86.1 | Confident | 85.8 | Confident | 4 Ų | 4 | 61.2 Ų | 61.2 | 3% | 0.028 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.9 | -41.8 | 176.6 | -54 | 0 | 0 | 0 | 0 | 112.4 | W33 N36 N195 I196 A197 A201 D202 Y203 | W33-S199 VanDerWaalsContact CE3-CB 3.42Å; N36-S199 WeakPolarHBondContact CB-OG 3.35Å; N36-S199 VanDerWaalsContact CG-OG 3.31Å; N36-S199 PolarHBondContact ND2-OG 3.5Å; N195-S199 WeakPolarHBondContact O-CB 3.38Å; N195-S199 PolarHBondContact O-N 2.96Å; N195-S199 PolarHBondContact O-OG 3.37Å; I196-S199 WeakPolarHBondContact O-CB 3.11Å; I196-S199 PolarHBondContact O-N 3.01Å; A197-S199 VanDerWaalsContact C-N 3.32Å; A197-S199 PolarHBondContact O-N 3.06Å; S199-A201 VanDerWaalsContact C-N 3.33Å; S199-D202 PolarHBondContact O-N 2.75Å; S199-Y203 PolarHBondContact O-N 3.37Å; S199-Y203 VanDerWaalsContact O-N 3.09Å |
| 200 | I | 86.9 | Confident | 85.3 | Confident | 71 Ų | 71 | 60.3 Ų | 60.3 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 174.5 | -63.5 | 171.1 | 0 | 0 | 0 | 109.8 | W33 I196 A197 Y203 K204 | W33-I200 HydrophobicContact CH2-CG1 4.38Å; W33-I200 HydrophobicContact CZ3-CG1 3.82Å; I196-I200 HydrophobicContact CG2-CD1 3.9Å; I196-I200 HydrophobicContact CG2-CG1 4.37Å; I196-I200 WeakPolarHBondContact O-CG1 3.33Å; I196-I200 PolarHBondContact O-N 3.32Å; A197-I200 PolarHBondContact O-N 3.01Å; I200-Y203 PolarHBondContact O-N 3.47Å; I200-K204 HydrophobicContact CG2-CD 3.95Å; I200-K204 HydrophobicContact CG2-CG 4.35Å; I200-K204 WeakPolarHBondContact O-CB 3.2Å; I200-K204 WeakPolarHBondContact O-CG 3.49Å; I200-K204 PolarHBondContact O-N 3.32Å |
| 201 | A | 86.1 | Confident | 85 | Confident | 22 Ų | 22 | 61 Ų | 61 | 18% | 0.182 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | A197 V198 S199 Y203 K204 L205 F208 | A197-A201 WeakPolarHBondContact O-CB 3.49Å; A197-A201 PolarHBondContact O-N 3.25Å; V198-A201 PolarHBondContact O-N 3.3Å; S199-A201 VanDerWaalsContact C-N 3.33Å; A201-Y203 VanDerWaalsContact C-N 3.31Å; A201-Y203 PolarHBondContact O-N 3.21Å; A201-K204 PolarHBondContact O-N 2.88Å; A201-L205 HydrophobicContact CB-CD1 4.34Å; A201-L205 WeakPolarHBondContact O-CA 3.01Å; A201-L205 WeakPolarHBondContact O-CB 2.99Å; A201-L205 WeakPolarHBondContact O-CG 3.43Å; A201-L205 PolarHBondContact O-N 2.93Å; A201-F208 HydrophobicContact CB-CD1 3.73Å; A201-F208 HydrophobicContact CB-CE1 3.55Å; A201-F208 HydrophobicContact CB-CZ 4.29Å |
| 202 | D | 83 | Confident | 84.7 | Confident | 17 Ų | 17 | 63.1 Ų | 63.1 | 9% | 0.091 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.1 | -38.6 | 177.1 | -175.9 | 52.1 | 0 | 0 | 0 | 113.1 | V198 S199 R210 K327 | V198-D202 WeakPolarHBondContact O-CB 3.34Å; V198-D202 PolarHBondContact O-N 3.02Å; S199-D202 PolarHBondContact O-N 2.75Å; D202-R210 IonicContact OD1-CZ 2.7Å; D202-R210 IonicContact OD1-NH1 3.72Å; D202-R210 PolarHBondContact OD1-NH1 2.89Å; D202-R210 IonicContact OD1-NH2 2.96Å; D202-R210 IonicContact OD2-CZ 2.84Å; D202-R210 VanDerWaalsContact OD2-CZ 3.22Å; D202-R210 IonicContact OD2-NH1 2.78Å; D202-R210 PolarHBondContact OD2-NH1 2.97Å; D202-R210 IonicContact OD2-NH2 2.75Å; D202-R210 PolarHBondContact OD2-NH2 3.48Å; D202-K327 PolarHBondContact O-NZ 3.41Å; D202-K327 IonicContact OD1-NZ 3.74Å; D202-K327 PolarHBondContact OD1-NZ 3.1Å |
| 203 | Y | 81.1 | Confident | 84.5 | Confident | 180 Ų | 180 | 58.7 Ų | 58.7 | 71% | 0.706 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -72.1 | -44.2 | 178.7 | -171.5 | -95.3 | 0 | 0 | 0 | 112.4 | S199 I200 A201 | S199-Y203 PolarHBondContact O-N 3.37Å; S199-Y203 VanDerWaalsContact O-N 3.09Å; I200-Y203 PolarHBondContact O-N 3.47Å; A201-Y203 VanDerWaalsContact C-N 3.31Å; A201-Y203 PolarHBondContact O-N 3.21Å |
| 204 | K | 84.4 | Confident | 84.4 | Confident | 154 Ų | 154 | 53.3 Ų | 53.3 | 67% | 0.67 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -81.2 | -29.8 | -176 | -70.3 | -172.5 | 177.6 | -176.1 | 0 | 113.7 | I200 A201 P206 | I200-K204 HydrophobicContact CG2-CD 3.95Å; I200-K204 HydrophobicContact CG2-CG 4.35Å; I200-K204 WeakPolarHBondContact O-CB 3.2Å; I200-K204 WeakPolarHBondContact O-CG 3.49Å; I200-K204 PolarHBondContact O-N 3.32Å; A201-K204 PolarHBondContact O-N 2.88Å; K204-P206 WeakPolarHBondContact O-CD 3.48Å |
| 205 | L | 81.3 | Confident | 84.4 | Confident | 62 Ų | 62 | 53.8 Ų | 53.8 | 33% | 0.325 | 26% | 0.264 | S | S | . | . | trans | -109.6 | 103.6 | -171.8 | -56.5 | 177.1 | 0 | 0 | 0 | 110.2 | A201 W207 F208 K327 | A201-L205 HydrophobicContact CB-CD1 4.34Å; A201-L205 WeakPolarHBondContact O-CA 3.01Å; A201-L205 WeakPolarHBondContact O-CB 2.99Å; A201-L205 WeakPolarHBondContact O-CG 3.43Å; A201-L205 PolarHBondContact O-N 2.93Å; L205-W207 VanDerWaalsContact C-N 3.27Å; L205-W207 PolarHBondContact O-N 3.43Å; L205-F208 HydrophobicContact CB-CB 3.53Å; L205-F208 HydrophobicContact CB-CG 4.43Å; L205-F208 HydrophobicContact CD1-CB 4.27Å; L205-F208 HydrophobicContact CD1-CG 4.39Å; L205-F208 WeakPolarHBondContact O-CB 3.23Å; L205-F208 PolarHBondContact O-N 3.43Å; L205-F208 VanDerWaalsContact O-N 3.09Å; L205-K327 PolarHBondContact O-NZ 3.44Å | ||
| 206 | P | 72.3 | Confident | 84.5 | Confident | 113 Ų | 113 | 57.5 Ų | 57.5 | 73% | 0.734 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -32.4 | -179.1 | 23.9 | -32.6 | 0 | 0 | 0 | 112.5 | K204 F208 K327 | K204-P206 WeakPolarHBondContact O-CD 3.48Å; P206-F208 VanDerWaalsContact C-N 3.29Å; P206-F208 PolarHBondContact O-N 3.3Å; P206-K327 WeakPolarHBondContact O-CE 3.24Å |
| 207 | W | 74.2 | Confident | 84.6 | Confident | 179 Ų | 179 | 55.4 Ų | 55.4 | 68% | 0.678 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -14.5 | 175.3 | 65.5 | -61.8 | 0 | 0 | 0 | 114.3 | L205 G209 M212 | L205-W207 VanDerWaalsContact C-N 3.27Å; L205-W207 PolarHBondContact O-N 3.43Å; W207-G209 VanDerWaalsContact C-N 3.35Å; W207-G209 PolarHBondContact O-N 3.31Å; W207-M212 HydrophobicContact CE3-CE 4.33Å; W207-M212 HydrophobicContact CZ3-CE 4.37Å; W207-M212 VanDerWaalsContact O-SD 3.34Å |
| 208 | F | 77.5 | Confident | 84.8 | Confident | 29 Ų | 29 | 52.8 Ų | 52.8 | 13% | 0.127 | 25% | 0.251 | C | S | . | . | trans | -79.3 | 85.4 | -178.5 | -160.6 | -120.3 | 0 | 0 | 0 | 110.1 | V198 A201 L205 P206 I213 I216 K327 | V198-F208 HydrophobicContact CG1-CE1 4.31Å; A201-F208 HydrophobicContact CB-CD1 3.73Å; A201-F208 HydrophobicContact CB-CE1 3.55Å; A201-F208 HydrophobicContact CB-CZ 4.29Å; L205-F208 HydrophobicContact CB-CB 3.53Å; L205-F208 HydrophobicContact CB-CG 4.43Å; L205-F208 HydrophobicContact CD1-CB 4.27Å; L205-F208 HydrophobicContact CD1-CG 4.39Å; L205-F208 WeakPolarHBondContact O-CB 3.23Å; L205-F208 PolarHBondContact O-N 3.43Å; L205-F208 VanDerWaalsContact O-N 3.09Å; P206-F208 VanDerWaalsContact C-N 3.29Å; P206-F208 PolarHBondContact O-N 3.3Å; F208-I213 HydrophobicContact CD1-CD1 3.78Å; F208-I213 HydrophobicContact CD1-CG1 3.63Å; F208-I213 HydrophobicContact CE1-CD1 3.78Å; F208-I213 HydrophobicContact CE1-CG1 3.28Å; F208-I213 HydrophobicContact CE2-CG1 4.39Å; F208-I213 HydrophobicContact CG-CG1 4.34Å; F208-I213 HydrophobicContact CZ-CG1 3.7Å; F208-I216 HydrophobicContact CE2-CD1 3.74Å; F208-I216 HydrophobicContact CZ-CD1 4.28Å; F208-K327 WeakPolarHBondContact O-CD 3.29Å; F208-K327 PolarHBondContact O-NZ 3.03Å | ||
| 209 | G | 79 | Confident | 85.2 | Confident | 2 Ų | 2 | 56 Ų | 56 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | trans | -77.6 | 168.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.9 | W207 M212 I213 E325 | W207-G209 VanDerWaalsContact C-N 3.35Å; W207-G209 PolarHBondContact O-N 3.31Å; G209-M212 PolarHBondContact O-N 3.38Å; G209-I213 WeakPolarHBondContact O-CD1 3.29Å; G209-I213 VanDerWaalsContact O-CG1 3.24Å; G209-I213 WeakPolarHBondContact O-CG1 3.43Å; G209-I213 PolarHBondContact O-N 3.31Å; G209-E325 WeakPolarHBondContact CA-OE1 3.44Å; G209-E325 WeakPolarHBondContact CA-OE2 3.43Å | ||
| 210 | R | 81.8 | Confident | 85.6 | Confident | 15 Ų | 15 | 58.2 Ų | 58.2 | 6% | 0.057 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.9 | -37.7 | 178 | -54.8 | -55.6 | 174.7 | -160.5 | 1.9 | 111.5 | D202 N214 M261 M262 E265 E325 T326 K327 | D202-R210 IonicContact OD1-CZ 2.7Å; D202-R210 IonicContact OD1-NH1 3.72Å; D202-R210 PolarHBondContact OD1-NH1 2.89Å; D202-R210 IonicContact OD1-NH2 2.96Å; D202-R210 IonicContact OD2-CZ 2.84Å; D202-R210 VanDerWaalsContact OD2-CZ 3.22Å; D202-R210 IonicContact OD2-NH1 2.78Å; D202-R210 PolarHBondContact OD2-NH1 2.97Å; D202-R210 IonicContact OD2-NH2 2.75Å; D202-R210 PolarHBondContact OD2-NH2 3.48Å; R210-N214 WeakPolarHBondContact O-CB 3.41Å; R210-N214 PolarHBondContact O-N 3.48Å; R210-N214 VanDerWaalsContact O-N 3.16Å; R210-M261 VanDerWaalsContact CD-CE 3.45Å; R210-M262 HydrophobicContact CB-CG 4Å; R210-E265 IonicContact NE-OE1 2.66Å; R210-E325 PolarHBondContact N-OE1 3.42Å; R210-T326 VanDerWaalsContact CB-OG1 3.31Å; R210-T326 WeakPolarHBondContact CB-OG1 2.99Å; R210-K327 HydrophobicContact CG-CB 4.3Å |
| 211 | K | 83.8 | Confident | 85.9 | Confident | 39 Ų | 39 | 54.8 Ų | 54.8 | 17% | 0.17 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.7 | -44.3 | 177.1 | -175 | -179.7 | 177.6 | 170.2 | 0 | 110.4 | N214 Q215 S320 L323 E325 | K211-N214 PolarHBondContact O-N 3.38Å; K211-Q215 HydrophobicContact CG-CG 4.39Å; K211-Q215 WeakPolarHBondContact O-CB 3.29Å; K211-Q215 WeakPolarHBondContact O-CG 3.32Å; K211-Q215 PolarHBondContact O-N 3.46Å; K211-S320 PolarHBondContact NZ-O 3.17Å; K211-L323 WeakPolarHBondContact CD-O 3.43Å; K211-L323 VanDerWaalsContact CE-O 3.25Å; K211-L323 WeakPolarHBondContact CE-O 3.35Å; K211-L323 PolarHBondContact NZ-O 3Å; K211-E325 VanDerWaalsContact CB-OE2 3.24Å; K211-E325 WeakPolarHBondContact CB-OE2 3.48Å; K211-E325 PolarHBondContact N-OE1 3.17Å; K211-E325 PolarHBondContact N-OE2 3.42Å |
| 212 | M | 86 | Confident | 86.4 | Confident | 65 Ų | 65 | 54.6 Ų | 54.6 | 32% | 0.32 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.4 | -48.6 | 177.6 | -68.8 | -175.8 | 69.8 | 0 | 0 | 112.3 | W207 G209 N214 Q215 I216 | W207-M212 HydrophobicContact CE3-CE 4.33Å; W207-M212 HydrophobicContact CZ3-CE 4.37Å; W207-M212 VanDerWaalsContact O-SD 3.34Å; G209-M212 PolarHBondContact O-N 3.38Å; M212-N214 VanDerWaalsContact C-N 3.25Å; M212-N214 PolarHBondContact O-N 2.85Å; M212-Q215 PolarHBondContact O-N 3.17Å; M212-I216 VanDerWaalsContact O-CG1 3.3Å; M212-I216 WeakPolarHBondContact O-CG1 3.39Å; M212-I216 PolarHBondContact O-N 3.4Å |
| 213 | I | 88.5 | Confident | 87 | Confident | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -52.4 | -47.5 | 175.9 | -75.5 | 166.8 | 0 | 0 | 0 | 111 | M32 V198 F208 G209 A217 Q254 A258 | M32-I213 HydrophobicContact CE-CD1 4.25Å; V198-I213 HydrophobicContact CG1-CD1 4.01Å; V198-I213 HydrophobicContact CG1-CG1 4.15Å; V198-I213 HydrophobicContact CG1-CG2 3.9Å; F208-I213 HydrophobicContact CD1-CD1 3.78Å; F208-I213 HydrophobicContact CD1-CG1 3.63Å; F208-I213 HydrophobicContact CE1-CD1 3.78Å; F208-I213 HydrophobicContact CE1-CG1 3.28Å; F208-I213 HydrophobicContact CE2-CG1 4.39Å; F208-I213 HydrophobicContact CG-CG1 4.34Å; F208-I213 HydrophobicContact CZ-CG1 3.7Å; G209-I213 WeakPolarHBondContact O-CD1 3.29Å; G209-I213 VanDerWaalsContact O-CG1 3.24Å; G209-I213 WeakPolarHBondContact O-CG1 3.43Å; G209-I213 PolarHBondContact O-N 3.31Å; I213-A217 WeakPolarHBondContact O-CB 3.2Å; I213-A217 PolarHBondContact O-N 2.91Å; I213-A217 VanDerWaalsContact O-N 3.09Å; I213-Q254 HydrophobicContact CG2-CG 3.55Å; I213-A258 HydrophobicContact CG2-CB 4.34Å |
| 214 | N | 90.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.2 | -43.4 | -178.7 | -170 | 57.6 | 0 | 0 | 0 | 111.6 | R210 K211 M212 I216 A217 M218 L255 A258 L319 | R210-N214 WeakPolarHBondContact O-CB 3.41Å; R210-N214 PolarHBondContact O-N 3.48Å; R210-N214 VanDerWaalsContact O-N 3.16Å; K211-N214 PolarHBondContact O-N 3.38Å; M212-N214 VanDerWaalsContact C-N 3.25Å; M212-N214 PolarHBondContact O-N 2.85Å; N214-I216 PolarHBondContact O-N 3.31Å; N214-A217 PolarHBondContact O-N 3.2Å; N214-M218 WeakPolarHBondContact ND2-CE 3.22Å; N214-M218 VanDerWaalsContact O-CG 3.24Å; N214-M218 WeakPolarHBondContact O-CG 3.32Å; N214-M218 PolarHBondContact O-N 2.94Å; N214-L255 WeakPolarHBondContact OD1-CD2 3.49Å; N214-A258 HydrophobicContact CB-CB 3.95Å; N214-L319 WeakPolarHBondContact ND2-CD1 3.41Å; N214-L319 WeakPolarHBondContact ND2-CD2 3.03Å |
| 215 | Q | 90.9 | Very high | 88 | Confident | 47 Ų | 47 | 44.8 Ų | 44.8 | 22% | 0.22 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63 | -42.2 | 177.3 | -75.7 | 178.8 | -39.6 | 0 | 0 | 112.5 | K211 M212 M218 I219 F316 L319 S320 | K211-Q215 HydrophobicContact CG-CG 4.39Å; K211-Q215 WeakPolarHBondContact O-CB 3.29Å; K211-Q215 WeakPolarHBondContact O-CG 3.32Å; K211-Q215 PolarHBondContact O-N 3.46Å; M212-Q215 PolarHBondContact O-N 3.17Å; Q215-M218 PolarHBondContact O-N 3.15Å; Q215-I219 VanDerWaalsContact O-CG1 3.3Å; Q215-I219 WeakPolarHBondContact O-CG1 3.2Å; Q215-I219 PolarHBondContact O-N 2.61Å; Q215-F316 HydrophobicContact CB-CE2 4.25Å; Q215-F316 HydrophobicContact CG-CE2 4.21Å; Q215-L319 HydrophobicContact CG-CD2 4.35Å; Q215-S320 PolarHBondContact NE2-OG 3.31Å |
| 216 | I | 92.4 | Very high | 88.6 | Confident | 80 Ų | 80 | 45.6 Ų | 45.6 | 41% | 0.41 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.2 | -48.3 | 175.8 | -67.8 | 165.7 | 0 | 0 | 0 | 109.9 | F208 M212 N214 M218 I219 C220 | F208-I216 HydrophobicContact CE2-CD1 3.74Å; F208-I216 HydrophobicContact CZ-CD1 4.28Å; M212-I216 VanDerWaalsContact O-CG1 3.3Å; M212-I216 WeakPolarHBondContact O-CG1 3.39Å; M212-I216 PolarHBondContact O-N 3.4Å; N214-I216 PolarHBondContact O-N 3.31Å; I216-M218 VanDerWaalsContact C-N 3.29Å; I216-M218 PolarHBondContact O-N 3.45Å; I216-I219 PolarHBondContact O-N 2.87Å; I216-C220 PolarHBondContact O-N 3.1Å; I216-C220 PolarHBondContact O-SG 3.35Å |
| 217 | A | 93.3 | Very high | 89.6 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 3% | 0.025 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.2 | -38.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I213 N214 T221 Q254 L255 | I213-A217 WeakPolarHBondContact O-CB 3.2Å; I213-A217 PolarHBondContact O-N 2.91Å; I213-A217 VanDerWaalsContact O-N 3.09Å; N214-A217 PolarHBondContact O-N 3.2Å; A217-T221 WeakPolarHBondContact O-CB 3.22Å; A217-T221 PolarHBondContact O-N 3.38Å; A217-T221 PolarHBondContact O-OG1 3.45Å; A217-Q254 HydrophobicContact CB-CB 4.05Å; A217-Q254 HydrophobicContact CB-CG 4.26Å; A217-L255 HydrophobicContact CB-CD2 3.66Å; A217-L255 HydrophobicContact CB-CG 4.14Å |
| 218 | M | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.8 | -45.6 | 175.6 | -70.3 | -176.7 | 169.4 | 0 | 0 | 112 | N214 Q215 I216 T221 L222 L255 K259 Q312 D315 F316 L319 | N214-M218 WeakPolarHBondContact ND2-CE 3.22Å; N214-M218 VanDerWaalsContact O-CG 3.24Å; N214-M218 WeakPolarHBondContact O-CG 3.32Å; N214-M218 PolarHBondContact O-N 2.94Å; Q215-M218 PolarHBondContact O-N 3.15Å; I216-M218 VanDerWaalsContact C-N 3.29Å; I216-M218 PolarHBondContact O-N 3.45Å; M218-T221 PolarHBondContact O-N 3.01Å; M218-L222 WeakPolarHBondContact O-CG 3.47Å; M218-L222 PolarHBondContact O-N 3.33Å; M218-L255 HydrophobicContact CB-CD2 4.41Å; M218-L255 HydrophobicContact CE-CD2 4.2Å; M218-L255 HydrophobicContact CG-CD1 4.44Å; M218-L255 HydrophobicContact CG-CD2 3.43Å; M218-L255 VanDerWaalsContact CG-CD2 3.43Å; M218-K259 VanDerWaalsContact CE-CE 3.48Å; M218-Q312 VanDerWaalsContact CG-NE2 3.34Å; M218-D315 VanDerWaalsContact CE-CG 3.5Å; M218-D315 WeakPolarHBondContact CE-OD2 3.31Å; M218-F316 HydrophobicContact CB-CB 4.5Å; M218-F316 HydrophobicContact CB-CD2 3.84Å; M218-F316 HydrophobicContact SD-CB 4.08Å; M218-F316 HydrophobicContact SD-CD2 3.99Å; M218-L319 HydrophobicContact CE-CB 4.27Å; M218-L319 HydrophobicContact CE-CD1 3.83Å; M218-L319 HydrophobicContact CE-CD2 4.41Å; M218-L319 HydrophobicContact CE-CG 4.37Å; M218-L319 HydrophobicContact SD-CB 4.5Å; M218-L319 HydrophobicContact SD-CD2 4.38Å |
| 219 | I | 95.1 | Very high | 91.1 | Very high | 90 Ų | 90 | 34.1 Ų | 34.1 | 46% | 0.462 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.7 | -44.8 | 179 | -68.4 | 165.7 | 0 | 0 | 0 | 110.6 | Q215 I216 T221 L222 F223 F316 | Q215-I219 VanDerWaalsContact O-CG1 3.3Å; Q215-I219 WeakPolarHBondContact O-CG1 3.2Å; Q215-I219 PolarHBondContact O-N 2.61Å; I216-I219 PolarHBondContact O-N 2.87Å; I219-T221 VanDerWaalsContact C-N 3.3Å; I219-T221 PolarHBondContact O-N 2.96Å; I219-L222 WeakPolarHBondContact O-CB 3.28Å; I219-L222 PolarHBondContact O-N 3.36Å; I219-F223 WeakPolarHBondContact O-CB 3.32Å; I219-F223 PolarHBondContact O-N 3.31Å; I219-F316 HydrophobicContact CD1-CE2 3.99Å; I219-F316 HydrophobicContact CD1-CZ 4.14Å; I219-F316 HydrophobicContact CG1-CD2 4.41Å; I219-F316 HydrophobicContact CG1-CE2 3.77Å; I219-F316 HydrophobicContact CG1-CZ 4.12Å |
| 220 | C | 94.6 | Very high | 91.7 | Very high | 50 Ų | 50 | 36.9 Ų | 36.9 | 34% | 0.338 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.8 | -39.1 | 175.7 | -66.5 | 0 | 0 | 0 | 0 | 111.9 | I216 F223 A224 M251 | I216-C220 PolarHBondContact O-N 3.1Å; I216-C220 PolarHBondContact O-SG 3.35Å; C220-F223 PolarHBondContact O-N 3.47Å; C220-A224 WeakPolarHBondContact O-CB 3.42Å; C220-A224 PolarHBondContact O-N 3.05Å; C220-M251 HydrophobicContact CB-CB 4.46Å; C220-M251 HydrophobicContact CB-CG 3.71Å; C220-M251 HydrophobicContact CB-SD 4.06Å |
| 221 | T | 94.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.9 | -42.6 | 176.1 | -54.5 | 0 | 0 | 0 | 0 | 111.3 | A217 M218 I219 A224 L225 A248 M251 Q312 | A217-T221 WeakPolarHBondContact O-CB 3.22Å; A217-T221 PolarHBondContact O-N 3.38Å; A217-T221 PolarHBondContact O-OG1 3.45Å; M218-T221 PolarHBondContact O-N 3.01Å; I219-T221 VanDerWaalsContact C-N 3.3Å; I219-T221 PolarHBondContact O-N 2.96Å; T221-A224 PolarHBondContact O-N 3.39Å; T221-L225 HydrophobicContact CG2-CD1 3.98Å; T221-L225 HydrophobicContact CG2-CG 4.38Å; T221-L225 WeakPolarHBondContact O-CB 3.21Å; T221-L225 VanDerWaalsContact O-CG 3.3Å; T221-L225 WeakPolarHBondContact O-CG 3.31Å; T221-L225 PolarHBondContact O-N 2.94Å; T221-A248 HydrophobicContact CG2-CB 4.41Å; T221-M251 WeakPolarHBondContact OG1-CB 3.32Å; T221-Q312 HydrophobicContact CG2-CG 4.23Å |
| 222 | L | 95.8 | Very high | 92.3 | Very high | 17 Ų | 17 | 39.2 Ų | 39.2 | 9% | 0.089 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.8 | -47.8 | 174.7 | -78.6 | 168.2 | 0 | 0 | 0 | 111.6 | M218 I219 L225 L226 F309 Q312 L313 F316 | M218-L222 WeakPolarHBondContact O-CG 3.47Å; M218-L222 PolarHBondContact O-N 3.33Å; I219-L222 WeakPolarHBondContact O-CB 3.28Å; I219-L222 PolarHBondContact O-N 3.36Å; L222-L225 PolarHBondContact O-N 3.2Å; L222-L226 VanDerWaalsContact O-CB 3.31Å; L222-L226 WeakPolarHBondContact O-CB 3.33Å; L222-L226 PolarHBondContact O-N 2.79Å; L222-F309 HydrophobicContact CB-CD2 4.41Å; L222-F309 HydrophobicContact CB-CE2 4.06Å; L222-F309 HydrophobicContact CD2-CD2 3.63Å; L222-F309 HydrophobicContact CD2-CE2 3.58Å; L222-F309 HydrophobicContact CD2-CG 4.26Å; L222-F309 HydrophobicContact CD2-CZ 4.17Å; L222-F309 HydrophobicContact CG-CE2 4.43Å; L222-F309 WeakPolarHBondContact O-CD2 3.41Å; L222-Q312 HydrophobicContact CD2-CB 3.74Å; L222-Q312 HydrophobicContact CD2-CG 3.79Å; L222-Q312 HydrophobicContact CG-CB 4.29Å; L222-Q312 HydrophobicContact CG-CG 3.74Å; L222-L313 HydrophobicContact CD1-CD1 4.29Å; L222-L313 HydrophobicContact CD2-CB 3.94Å; L222-F316 HydrophobicContact CD1-CB 4.29Å; L222-F316 HydrophobicContact CD1-CG 4.4Å |
| 223 | F | 94.9 | Very high | 92.4 | Very high | 137 Ų | 137 | 43.4 Ų | 43.4 | 60% | 0.601 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -60.9 | -46 | 178.1 | -178.2 | -99.8 | 0 | 0 | 0 | 111.4 | I219 C220 L225 L226 M227 | I219-F223 WeakPolarHBondContact O-CB 3.32Å; I219-F223 PolarHBondContact O-N 3.31Å; C220-F223 PolarHBondContact O-N 3.47Å; F223-L225 PolarHBondContact O-N 3.17Å; F223-L226 PolarHBondContact O-N 2.96Å; F223-M227 HydrophobicContact CD1-CG 4.14Å; F223-M227 HydrophobicContact CE1-CG 3.74Å; F223-M227 HydrophobicContact CE1-SD 4.47Å; F223-M227 HydrophobicContact CE2-CG 4.17Å; F223-M227 HydrophobicContact CE2-SD 4.42Å; F223-M227 HydrophobicContact CZ-CG 3.76Å; F223-M227 HydrophobicContact CZ-SD 3.99Å; F223-M227 WeakPolarHBondContact O-CB 3.19Å; F223-M227 VanDerWaalsContact O-CG 3.23Å; F223-M227 WeakPolarHBondContact O-CG 3.19Å; F223-M227 PolarHBondContact O-N 3.25Å |
| 224 | A | 94.1 | Very high | 92.4 | Very high | 8 Ų | 8 | 49.9 Ų | 49.9 | 7% | 0.066 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.7 | -44.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | C220 T221 M227 I228 A248 | C220-A224 WeakPolarHBondContact O-CB 3.42Å; C220-A224 PolarHBondContact O-N 3.05Å; T221-A224 PolarHBondContact O-N 3.39Å; A224-M227 PolarHBondContact O-N 3.11Å; A224-I228 WeakPolarHBondContact O-CD1 3.42Å; A224-I228 WeakPolarHBondContact O-CG1 3.41Å; A224-I228 PolarHBondContact O-N 3.01Å; A224-A248 HydrophobicContact CB-CB 3.9Å |
| 225 | L | 94.2 | Very high | 92 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 178 | -71.1 | 172.4 | 0 | 0 | 0 | 112.4 | I165 L169 T221 L222 F223 I228 A229 Y305 L308 F309 Q312 | I165-L225 HydrophobicContact CG2-CD1 4.33Å; L169-L225 HydrophobicContact CD1-CD2 4.31Å; L169-L225 HydrophobicContact CD2-CD2 4.25Å; T221-L225 HydrophobicContact CG2-CD1 3.98Å; T221-L225 HydrophobicContact CG2-CG 4.38Å; T221-L225 WeakPolarHBondContact O-CB 3.21Å; T221-L225 VanDerWaalsContact O-CG 3.3Å; T221-L225 WeakPolarHBondContact O-CG 3.31Å; T221-L225 PolarHBondContact O-N 2.94Å; L222-L225 PolarHBondContact O-N 3.2Å; F223-L225 PolarHBondContact O-N 3.17Å; L225-I228 PolarHBondContact O-N 3.33Å; L225-A229 WeakPolarHBondContact O-CB 3.26Å; L225-A229 PolarHBondContact O-N 3.26Å; L225-Y305 HydrophobicContact CD2-CD1 4.4Å; L225-L308 HydrophobicContact CD1-CB 3.97Å; L225-L308 HydrophobicContact CD2-CB 4.02Å; L225-L308 HydrophobicContact CD2-CD1 4.14Å; L225-F309 HydrophobicContact CB-CB 4.21Å; L225-F309 HydrophobicContact CB-CD2 4.42Å; L225-Q312 HydrophobicContact CD1-CB 4.3Å |
| 226 | L | 94 | Very high | 91.5 | Very high | 80 Ų | 80 | 57.3 Ų | 57.3 | 42% | 0.419 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 175.8 | -178.2 | 64.1 | 0 | 0 | 0 | 111 | L222 F223 I228 A229 V230 F309 | L222-L226 VanDerWaalsContact O-CB 3.31Å; L222-L226 WeakPolarHBondContact O-CB 3.33Å; L222-L226 PolarHBondContact O-N 2.79Å; F223-L226 PolarHBondContact O-N 2.96Å; L226-I228 VanDerWaalsContact C-N 3.33Å; L226-I228 PolarHBondContact O-N 2.73Å; L226-A229 PolarHBondContact O-N 3.3Å; L226-V230 HydrophobicContact CD1-CG2 4.19Å; L226-V230 HydrophobicContact CG-CG2 4.41Å; L226-V230 WeakPolarHBondContact O-CB 3.09Å; L226-V230 VanDerWaalsContact O-CG2 3.29Å; L226-V230 WeakPolarHBondContact O-CG2 3.01Å; L226-V230 PolarHBondContact O-N 3.42Å; L226-F309 HydrophobicContact CB-CD2 3.97Å; L226-F309 HydrophobicContact CB-CE2 3.86Å; L226-F309 HydrophobicContact CD1-CE2 4.41Å; L226-F309 HydrophobicContact CG-CE2 4.49Å |
| 227 | M | 92.3 | Very high | 90.5 | Very high | 66 Ų | 66 | 58.9 Ų | 58.9 | 33% | 0.325 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57 | -46.7 | 175.9 | -77.5 | -68.3 | -65.5 | 0 | 0 | 111.2 | F223 A224 V230 Y231 L240 | F223-M227 HydrophobicContact CD1-CG 4.14Å; F223-M227 HydrophobicContact CE1-CG 3.74Å; F223-M227 HydrophobicContact CE1-SD 4.47Å; F223-M227 HydrophobicContact CE2-CG 4.17Å; F223-M227 HydrophobicContact CE2-SD 4.42Å; F223-M227 HydrophobicContact CZ-CG 3.76Å; F223-M227 HydrophobicContact CZ-SD 3.99Å; F223-M227 WeakPolarHBondContact O-CB 3.19Å; F223-M227 VanDerWaalsContact O-CG 3.23Å; F223-M227 WeakPolarHBondContact O-CG 3.19Å; F223-M227 PolarHBondContact O-N 3.25Å; A224-M227 PolarHBondContact O-N 3.11Å; M227-V230 PolarHBondContact O-N 3.13Å; M227-Y231 HydrophobicContact CE-CD2 4.18Å; M227-Y231 HydrophobicContact CE-CE2 3.53Å; M227-Y231 WeakPolarHBondContact O-CB 3.38Å; M227-Y231 VanDerWaalsContact O-CD2 3.24Å; M227-Y231 WeakPolarHBondContact O-CD2 3.35Å; M227-Y231 PolarHBondContact O-N 3.27Å; M227-Y231 HydrophobicContact SD-CE2 4.5Å; M227-L240 HydrophobicContact CE-CD2 4.34Å |
| 228 | I | 91.3 | Very high | 89.6 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.015 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.8 | -47.7 | 177.7 | -63.6 | 160.1 | 0 | 0 | 0 | 111.2 | A224 L225 L226 V230 Y231 L232 I241 Y305 | A224-I228 WeakPolarHBondContact O-CD1 3.42Å; A224-I228 WeakPolarHBondContact O-CG1 3.41Å; A224-I228 PolarHBondContact O-N 3.01Å; L225-I228 PolarHBondContact O-N 3.33Å; L226-I228 VanDerWaalsContact C-N 3.33Å; L226-I228 PolarHBondContact O-N 2.73Å; I228-V230 PolarHBondContact O-N 3.31Å; I228-Y231 PolarHBondContact O-N 3.01Å; I228-L232 HydrophobicContact CG2-CD1 3.74Å; I228-L232 HydrophobicContact CG2-CG 4.41Å; I228-L232 WeakPolarHBondContact O-CB 3.4Å; I228-L232 WeakPolarHBondContact O-CG 3.43Å; I228-L232 PolarHBondContact O-N 2.66Å; I228-I241 HydrophobicContact CG2-CG2 4.06Å; I228-Y305 HydrophobicContact CB-CD1 4.14Å; I228-Y305 HydrophobicContact CB-CE1 4.49Å; I228-Y305 HydrophobicContact CB-CG 4.48Å; I228-Y305 HydrophobicContact CD1-CD1 4.32Å; I228-Y305 HydrophobicContact CD1-CE1 4.32Å; I228-Y305 HydrophobicContact CG2-CD1 3.45Å; I228-Y305 VanDerWaalsContact CG2-CD1 3.45Å; I228-Y305 HydrophobicContact CG2-CD2 4.02Å; I228-Y305 HydrophobicContact CG2-CE1 3.52Å; I228-Y305 HydrophobicContact CG2-CE2 4.09Å; I228-Y305 HydrophobicContact CG2-CG 3.69Å |
| 229 | A | 91.4 | Very high | 88.8 | Confident | 10 Ų | 10 | 68 Ų | 68 | 8% | 0.083 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.2 | -43.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L225 L226 Y233 W302 | L225-A229 WeakPolarHBondContact O-CB 3.26Å; L225-A229 PolarHBondContact O-N 3.26Å; L226-A229 PolarHBondContact O-N 3.3Å; A229-Y233 WeakPolarHBondContact O-CB 3.48Å; A229-Y233 PolarHBondContact O-N 3.4Å; A229-W302 WeakPolarHBondContact O-CB 3.46Å |
| 230 | V | 91.6 | Very high | 88.3 | Confident | 61 Ų | 61 | 67.4 Ų | 67.4 | 37% | 0.37 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 178.1 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | L226 M227 I228 L232 Y233 F234 | L226-V230 HydrophobicContact CD1-CG2 4.19Å; L226-V230 HydrophobicContact CG-CG2 4.41Å; L226-V230 WeakPolarHBondContact O-CB 3.09Å; L226-V230 VanDerWaalsContact O-CG2 3.29Å; L226-V230 WeakPolarHBondContact O-CG2 3.01Å; L226-V230 PolarHBondContact O-N 3.42Å; M227-V230 PolarHBondContact O-N 3.13Å; I228-V230 PolarHBondContact O-N 3.31Å; V230-L232 PolarHBondContact O-N 3.4Å; V230-Y233 WeakPolarHBondContact O-CB 3.34Å; V230-Y233 PolarHBondContact O-N 3.49Å; V230-F234 HydrophobicContact CG1-CD2 3.81Å; V230-F234 HydrophobicContact CG1-CE2 3.69Å; V230-F234 VanDerWaalsContact O-CD2 3.22Å; V230-F234 WeakPolarHBondContact O-CD2 3.31Å; V230-F234 PolarHBondContact O-N 3.06Å; V230-F234 VanDerWaalsContact O-N 3.15Å |
| 231 | Y | 89.9 | Confident | 87.8 | Confident | 85 Ų | 85 | 65.8 Ų | 65.8 | 33% | 0.333 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 179.7 | -92.7 | -103.3 | 0 | 0 | 0 | 112.5 | M227 I228 Y233 F234 G235 Y236 L240 | M227-Y231 HydrophobicContact CE-CD2 4.18Å; M227-Y231 HydrophobicContact CE-CE2 3.53Å; M227-Y231 WeakPolarHBondContact O-CB 3.38Å; M227-Y231 VanDerWaalsContact O-CD2 3.24Å; M227-Y231 WeakPolarHBondContact O-CD2 3.35Å; M227-Y231 PolarHBondContact O-N 3.27Å; M227-Y231 HydrophobicContact SD-CE2 4.5Å; I228-Y231 PolarHBondContact O-N 3.01Å; Y231-Y233 VanDerWaalsContact C-N 3.33Å; Y231-F234 PolarHBondContact O-N 3.48Å; Y231-G235 PolarHBondContact O-N 3.41Å; Y231-Y236 HydrophobicContact CD1-CD2 4.31Å; Y231-Y236 HydrophobicContact CD1-CG 4.34Å; Y231-Y236 PolarHBondContact O-N 3.02Å; Y231-Y236 VanDerWaalsContact O-N 3.08Å; Y231-L240 HydrophobicContact CD1-CD2 3.72Å; Y231-L240 HydrophobicContact CD2-CD2 4.02Å; Y231-L240 HydrophobicContact CE1-CD2 3.2Å; Y231-L240 HydrophobicContact CE1-CG 4.47Å; Y231-L240 HydrophobicContact CE2-CD2 3.54Å; Y231-L240 HydrophobicContact CG-CD2 4.09Å; Y231-L240 WeakPolarHBondContact OH-CD2 3.35Å |
| 232 | L | 88.4 | Confident | 87.3 | Confident | 18 Ų | 18 | 66.9 Ų | 66.9 | 9% | 0.094 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.2 | -36.2 | 174.8 | -73.6 | 170.7 | 0 | 0 | 0 | 112.2 | I228 V230 F234 G235 I241 E301 W302 Y305 | I228-L232 HydrophobicContact CG2-CD1 3.74Å; I228-L232 HydrophobicContact CG2-CG 4.41Å; I228-L232 WeakPolarHBondContact O-CB 3.4Å; I228-L232 WeakPolarHBondContact O-CG 3.43Å; I228-L232 PolarHBondContact O-N 2.66Å; V230-L232 PolarHBondContact O-N 3.4Å; L232-F234 VanDerWaalsContact C-N 3.31Å; L232-F234 PolarHBondContact O-N 3.34Å; L232-G235 PolarHBondContact O-N 2.82Å; L232-G235 VanDerWaalsContact O-N 3.1Å; L232-I241 HydrophobicContact CD2-CD1 3.47Å; L232-I241 VanDerWaalsContact CD2-CD1 3.47Å; L232-I241 HydrophobicContact CD2-CG1 4.46Å; L232-I241 HydrophobicContact CG-CD1 3.94Å; L232-I241 HydrophobicContact CG-CG1 4.46Å; L232-E301 HydrophobicContact CD2-CB 4.23Å; L232-W302 HydrophobicContact CB-CB 3.92Å; L232-Y305 HydrophobicContact CD1-CD2 3.35Å; L232-Y305 HydrophobicContact CD1-CE2 3.25Å; L232-Y305 HydrophobicContact CD1-CG 4.28Å |
| 233 | Y | 89 | Confident | 86.8 | Confident | 152 Ų | 152 | 71.1 Ų | 71.1 | 60% | 0.596 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.2 | -38.5 | 175.8 | -179.7 | -95.4 | 0 | 0 | 0 | 112.5 | A229 V230 Y231 G235 W302 | A229-Y233 WeakPolarHBondContact O-CB 3.48Å; A229-Y233 PolarHBondContact O-N 3.4Å; V230-Y233 WeakPolarHBondContact O-CB 3.34Å; V230-Y233 PolarHBondContact O-N 3.49Å; Y231-Y233 VanDerWaalsContact C-N 3.33Å; Y233-G235 PolarHBondContact O-N 3.28Å; Y233-W302 AromaticContact CD2-CD1 3.95Å; Y233-W302 HydrophobicContact CD2-CD2 4.38Å; Y233-W302 HydrophobicContact CD2-CG 4.35Å; Y233-W302 AromaticContact CD2-NE1 3.76Å |
| 234 | F | 88.6 | Confident | 86.4 | Confident | 140 Ų | 140 | 65.1 Ų | 65.1 | 61% | 0.614 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | 3.1 | 176.1 | -73.7 | -68.8 | 0 | 0 | 0 | 114 | V230 Y231 L232 Y236 | V230-F234 HydrophobicContact CG1-CD2 3.81Å; V230-F234 HydrophobicContact CG1-CE2 3.69Å; V230-F234 VanDerWaalsContact O-CD2 3.22Å; V230-F234 WeakPolarHBondContact O-CD2 3.31Å; V230-F234 PolarHBondContact O-N 3.06Å; V230-F234 VanDerWaalsContact O-N 3.15Å; Y231-F234 PolarHBondContact O-N 3.48Å; L232-F234 VanDerWaalsContact C-N 3.31Å; L232-F234 PolarHBondContact O-N 3.34Å; F234-Y236 VanDerWaalsContact C-N 3.29Å; F234-Y236 HydrophobicContact CB-CD2 3.55Å; F234-Y236 HydrophobicContact CB-CE2 3.61Å; F234-Y236 HydrophobicContact CG-CE2 4.42Å; F234-Y236 PolarHBondContact O-N 2.89Å |
| 235 | G | 81.2 | Confident | 86.1 | Confident | 54 Ų | 54 | 64.7 Ų | 64.7 | 56% | 0.557 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 16.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y231 L232 Y233 | Y231-G235 PolarHBondContact O-N 3.41Å; L232-G235 PolarHBondContact O-N 2.82Å; L232-G235 VanDerWaalsContact O-N 3.1Å; Y233-G235 PolarHBondContact O-N 3.28Å |
| 236 | Y | 80.3 | Confident | 85.8 | Confident | 149 Ų | 149 | 65.8 Ų | 65.8 | 58% | 0.584 | 34% | 0.342 | S | S | * | . | trans | -82.2 | 119.8 | 174 | -66.7 | -71.6 | 0 | 0 | 0 | 110.1 | Y231 F234 I241 | Y231-Y236 HydrophobicContact CD1-CD2 4.31Å; Y231-Y236 HydrophobicContact CD1-CG 4.34Å; Y231-Y236 PolarHBondContact O-N 3.02Å; Y231-Y236 VanDerWaalsContact O-N 3.08Å; F234-Y236 VanDerWaalsContact C-N 3.29Å; F234-Y236 HydrophobicContact CB-CD2 3.55Å; F234-Y236 HydrophobicContact CB-CE2 3.61Å; F234-Y236 HydrophobicContact CG-CE2 4.42Å; F234-Y236 PolarHBondContact O-N 2.89Å; Y236-I241 WeakPolarHBondContact O-CD1 3.49Å | ||
| 237 | N | 71.5 | Confident | 85.6 | Confident | 113 Ų | 113 | 63.9 Ų | 63.9 | 60% | 0.604 | 34% | 0.338 | S | S | * | . | trans | -110.9 | 143.3 | 174.9 | -71.1 | -28.8 | 0 | 0 | 0 | 110.6 | ||||
| 238 | G | 74.4 | Confident | 85.5 | Confident | 36 Ų | 36 | 60.8 Ų | 60.8 | 37% | 0.371 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 141.2 | -149.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | L240 I241 | G238-L240 VanDerWaalsContact C-N 3.26Å; G238-L240 PolarHBondContact O-N 3.45Å; G238-L240 VanDerWaalsContact O-N 3.17Å; G238-I241 PolarHBondContact O-N 3.42Å |
| 239 | Q | 78.5 | Confident | 85.4 | Confident | 159 Ų | 159 | 60.6 Ų | 60.6 | 74% | 0.743 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -57.2 | -31.3 | -169.1 | -68.4 | 178 | -16.6 | 0 | 0 | 114.1 | I241 A242 I243 | Q239-I241 PolarHBondContact O-N 3.02Å; Q239-A242 WeakPolarHBondContact O-CB 3.43Å; Q239-A242 PolarHBondContact O-N 2.76Å; Q239-I243 VanDerWaalsContact O-CG1 3.31Å; Q239-I243 WeakPolarHBondContact O-CG1 3.37Å; Q239-I243 PolarHBondContact O-N 3.47Å |
| 240 | L | 83.1 | Confident | 85.3 | Confident | 77 Ų | 77 | 60.2 Ų | 60.2 | 40% | 0.403 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.7 | -34.4 | -177.6 | -149.5 | 79.6 | 0 | 0 | 0 | 112.7 | M227 Y231 G238 A242 I243 G244 | M227-L240 HydrophobicContact CE-CD2 4.34Å; Y231-L240 HydrophobicContact CD1-CD2 3.72Å; Y231-L240 HydrophobicContact CD2-CD2 4.02Å; Y231-L240 HydrophobicContact CE1-CD2 3.2Å; Y231-L240 HydrophobicContact CE1-CG 4.47Å; Y231-L240 HydrophobicContact CE2-CD2 3.54Å; Y231-L240 HydrophobicContact CG-CD2 4.09Å; Y231-L240 WeakPolarHBondContact OH-CD2 3.35Å; G238-L240 VanDerWaalsContact C-N 3.26Å; G238-L240 PolarHBondContact O-N 3.45Å; G238-L240 VanDerWaalsContact O-N 3.17Å; L240-A242 VanDerWaalsContact C-N 3.3Å; L240-I243 PolarHBondContact O-N 3.42Å; L240-G244 PolarHBondContact O-N 3.22Å |
| 241 | I | 84.4 | Confident | 85.2 | Confident | 17 Ų | 17 | 59.4 Ų | 59.4 | 9% | 0.087 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.2 | -38.8 | 173 | -64.9 | 160.8 | 0 | 0 | 0 | 109.7 | I228 L232 Y236 G238 Q239 G244 T245 | I228-I241 HydrophobicContact CG2-CG2 4.06Å; L232-I241 HydrophobicContact CD2-CD1 3.47Å; L232-I241 VanDerWaalsContact CD2-CD1 3.47Å; L232-I241 HydrophobicContact CD2-CG1 4.46Å; L232-I241 HydrophobicContact CG-CD1 3.94Å; L232-I241 HydrophobicContact CG-CG1 4.46Å; Y236-I241 WeakPolarHBondContact O-CD1 3.49Å; G238-I241 PolarHBondContact O-N 3.42Å; Q239-I241 PolarHBondContact O-N 3.02Å; I241-G244 PolarHBondContact O-N 3.48Å; I241-T245 VanDerWaalsContact O-CB 3.28Å; I241-T245 WeakPolarHBondContact O-CB 3.39Å; I241-T245 PolarHBondContact O-N 3.46Å; I241-T245 PolarHBondContact O-OG1 2.95Å |
| 242 | A | 83.6 | Confident | 85.1 | Confident | 22 Ų | 22 | 55.4 Ų | 55.4 | 18% | 0.182 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.3 | -46.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | L176 Q239 L240 G244 T245 V246 | L176-A242 HydrophobicContact CD2-CB 3.61Å; L176-A242 HydrophobicContact CG-CB 4.14Å; Q239-A242 WeakPolarHBondContact O-CB 3.43Å; Q239-A242 PolarHBondContact O-N 2.76Å; L240-A242 VanDerWaalsContact C-N 3.3Å; A242-G244 PolarHBondContact O-N 3.13Å; A242-T245 PolarHBondContact O-N 3.42Å; A242-V246 WeakPolarHBondContact O-CB 3.46Å; A242-V246 VanDerWaalsContact O-CG2 3.3Å; A242-V246 WeakPolarHBondContact O-CG2 3.34Å; A242-V246 PolarHBondContact O-N 3.43Å |
| 243 | I | 85.9 | Confident | 85.1 | Confident | 106 Ų | 106 | 54.6 Ų | 54.6 | 54% | 0.544 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.8 | -46.4 | 175.9 | -67 | 163.8 | 0 | 0 | 0 | 110.7 | Q239 L240 T245 V246 A247 | Q239-I243 VanDerWaalsContact O-CG1 3.31Å; Q239-I243 WeakPolarHBondContact O-CG1 3.37Å; Q239-I243 PolarHBondContact O-N 3.47Å; L240-I243 PolarHBondContact O-N 3.42Å; I243-T245 VanDerWaalsContact C-N 3.34Å; I243-T245 PolarHBondContact O-N 3.02Å; I243-V246 PolarHBondContact O-N 3.25Å; I243-A247 VanDerWaalsContact O-CB 3.28Å; I243-A247 WeakPolarHBondContact O-CB 3.46Å; I243-A247 PolarHBondContact O-N 2.87Å |
| 244 | G | 86.5 | Confident | 85.1 | Confident | 11 Ų | 11 | 47.4 Ų | 47.4 | 11% | 0.113 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L240 I241 A242 A247 A248 | L240-G244 PolarHBondContact O-N 3.22Å; I241-G244 PolarHBondContact O-N 3.48Å; A242-G244 PolarHBondContact O-N 3.13Å; G244-A247 PolarHBondContact O-N 3.1Å; G244-A248 VanDerWaalsContact O-CB 3.31Å; G244-A248 WeakPolarHBondContact O-CB 3.41Å; G244-A248 PolarHBondContact O-N 3.27Å |
| 245 | T | 87.4 | Confident | 85.2 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.2 | -47.8 | 178.5 | -60 | 0 | 0 | 0 | 0 | 110.8 | L169 M173 I241 A242 I243 A247 A248 V249 | L169-T245 HydrophobicContact CB-CG2 4.13Å; L169-T245 HydrophobicContact CD2-CG2 4.35Å; M173-T245 HydrophobicContact CG-CG2 4.47Å; I241-T245 VanDerWaalsContact O-CB 3.28Å; I241-T245 WeakPolarHBondContact O-CB 3.39Å; I241-T245 PolarHBondContact O-N 3.46Å; I241-T245 PolarHBondContact O-OG1 2.95Å; A242-T245 PolarHBondContact O-N 3.42Å; I243-T245 VanDerWaalsContact C-N 3.34Å; I243-T245 PolarHBondContact O-N 3.02Å; T245-A247 VanDerWaalsContact C-N 3.34Å; T245-A247 PolarHBondContact O-N 3.44Å; T245-A248 PolarHBondContact O-N 3.12Å; T245-V249 HydrophobicContact CG2-CG2 4.45Å; T245-V249 WeakPolarHBondContact O-CB 3.46Å; T245-V249 WeakPolarHBondContact O-CG2 3.41Å; T245-V249 PolarHBondContact O-N 3.11Å |
| 246 | V | 88.5 | Confident | 85.5 | Confident | 23 Ų | 23 | 39.9 Ų | 39.9 | 14% | 0.139 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.1 | -44.2 | 176.6 | 170.8 | 0 | 0 | 0 | 0 | 110.5 | M173 I186 S190 A242 I243 S250 | M173-V246 HydrophobicContact CE-CG2 4.11Å; I186-V246 HydrophobicContact CG2-CG1 4.47Å; S190-V246 VanDerWaalsContact OG-CG1 3.27Å; S190-V246 WeakPolarHBondContact OG-CG1 3.18Å; A242-V246 WeakPolarHBondContact O-CB 3.46Å; A242-V246 VanDerWaalsContact O-CG2 3.3Å; A242-V246 WeakPolarHBondContact O-CG2 3.34Å; A242-V246 PolarHBondContact O-N 3.43Å; I243-V246 PolarHBondContact O-N 3.25Å; V246-S250 VanDerWaalsContact O-CB 3.23Å; V246-S250 WeakPolarHBondContact O-CB 3.47Å; V246-S250 PolarHBondContact O-N 3.29Å; V246-S250 PolarHBondContact O-OG 3.3Å |
| 247 | A | 89.6 | Confident | 85.9 | Confident | 40 Ų | 40 | 33.6 Ų | 33.6 | 33% | 0.331 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62 | -47.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I243 G244 T245 S250 M251 | I243-A247 VanDerWaalsContact O-CB 3.28Å; I243-A247 WeakPolarHBondContact O-CB 3.46Å; I243-A247 PolarHBondContact O-N 2.87Å; G244-A247 PolarHBondContact O-N 3.1Å; T245-A247 VanDerWaalsContact C-N 3.34Å; T245-A247 PolarHBondContact O-N 3.44Å; A247-S250 PolarHBondContact O-N 3.48Å; A247-M251 WeakPolarHBondContact O-CG 3.3Å; A247-M251 PolarHBondContact O-N 2.94Å |
| 248 | A | 90.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.6 | -49.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L169 T221 A224 G244 T245 S250 M251 C252 | L169-A248 HydrophobicContact CD1-CB 3.63Å; T221-A248 HydrophobicContact CG2-CB 4.41Å; A224-A248 HydrophobicContact CB-CB 3.9Å; G244-A248 VanDerWaalsContact O-CB 3.31Å; G244-A248 WeakPolarHBondContact O-CB 3.41Å; G244-A248 PolarHBondContact O-N 3.27Å; T245-A248 PolarHBondContact O-N 3.12Å; A248-S250 PolarHBondContact O-N 2.97Å; A248-M251 PolarHBondContact O-N 3.44Å; A248-C252 PolarHBondContact O-N 3.48Å; A248-C252 PolarHBondContact O-SG 3.4Å |
| 249 | V | 89.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.4 | -32.8 | 177.9 | 178.5 | 0 | 0 | 0 | 0 | 111.6 | L169 M187 R191 T245 C252 S253 | L169-V249 HydrophobicContact CB-CG2 3.46Å; L169-V249 VanDerWaalsContact CB-CG2 3.46Å; L169-V249 HydrophobicContact CD1-CG2 3.71Å; L169-V249 HydrophobicContact CG-CG2 4.25Å; M187-V249 HydrophobicContact CG-CB 4.35Å; M187-V249 HydrophobicContact CG-CG1 3.93Å; M187-V249 HydrophobicContact SD-CB 4Å; M187-V249 HydrophobicContact SD-CG1 3.43Å; M187-V249 WeakPolarHBondContact SD-CG1 3.04Å; M187-V249 HydrophobicContact SD-CG2 4.33Å; R191-V249 PolarHBondContact NH1-O 2.91Å; T245-V249 HydrophobicContact CG2-CG2 4.45Å; T245-V249 WeakPolarHBondContact O-CB 3.46Å; T245-V249 WeakPolarHBondContact O-CG2 3.41Å; T245-V249 PolarHBondContact O-N 3.11Å; V249-C252 PolarHBondContact O-N 2.88Å; V249-S253 PolarHBondContact O-N 3.25Å |
| 250 | S | 88.5 | Confident | 87.7 | Confident | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.007 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -68.4 | -44.7 | 176 | -54.6 | 0 | 0 | 0 | 0 | 112.3 | S190 V246 A247 A248 C252 S253 | S190-S250 WeakPolarHBondContact CB-OG 3.44Å; S190-S250 PolarHBondContact OG-OG 3.47Å; V246-S250 VanDerWaalsContact O-CB 3.23Å; V246-S250 WeakPolarHBondContact O-CB 3.47Å; V246-S250 PolarHBondContact O-N 3.29Å; V246-S250 PolarHBondContact O-OG 3.3Å; A247-S250 PolarHBondContact O-N 3.48Å; A248-S250 PolarHBondContact O-N 2.97Å; S250-C252 VanDerWaalsContact C-N 3.28Å; S250-C252 PolarHBondContact O-N 3.12Å; S250-S253 WeakPolarHBondContact O-CB 3.35Å; S250-S253 PolarHBondContact O-N 3.27Å; S250-S253 VanDerWaalsContact O-N 3.17Å; S250-S253 PolarHBondContact O-OG 2.73Å |
| 251 | M | 90.2 | Very high | 87.6 | Confident | 45 Ų | 45 | 16.4 Ų | 16.4 | 22% | 0.222 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -67 | -32 | 175.6 | -66.8 | -63.3 | 159.2 | 0 | 0 | 112.3 | I194 C220 T221 A247 A248 S253 Q254 L255 | I194-M251 HydrophobicContact CD1-CE 3.59Å; I194-M251 HydrophobicContact CG1-CE 4.11Å; I194-M251 HydrophobicContact CG2-CE 4.25Å; I194-M251 HydrophobicContact CG2-SD 4.27Å; C220-M251 HydrophobicContact CB-CB 4.46Å; C220-M251 HydrophobicContact CB-CG 3.71Å; C220-M251 HydrophobicContact CB-SD 4.06Å; T221-M251 WeakPolarHBondContact OG1-CB 3.32Å; A247-M251 WeakPolarHBondContact O-CG 3.3Å; A247-M251 PolarHBondContact O-N 2.94Å; A248-M251 PolarHBondContact O-N 3.44Å; M251-S253 PolarHBondContact O-N 3.4Å; M251-Q254 WeakPolarHBondContact O-CB 3.49Å; M251-Q254 PolarHBondContact O-N 2.72Å; M251-L255 PolarHBondContact O-N 3.21Å |
| 252 | C | 88.3 | Confident | 87.6 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65 | -23.6 | 174.5 | -67.5 | 0 | 0 | 0 | 0 | 113.9 | T162 V166 A248 V249 S250 Q254 L255 F256 | T162-C252 HydrophobicContact CG2-CB 4.43Å; V166-C252 HydrophobicContact CG2-CB 3.08Å; A248-C252 PolarHBondContact O-N 3.48Å; A248-C252 PolarHBondContact O-SG 3.4Å; V249-C252 PolarHBondContact O-N 2.88Å; S250-C252 VanDerWaalsContact C-N 3.28Å; S250-C252 PolarHBondContact O-N 3.12Å; C252-Q254 PolarHBondContact O-N 3.36Å; C252-L255 PolarHBondContact O-N 3.41Å; C252-F256 VanDerWaalsContact O-CD2 3.32Å; C252-F256 WeakPolarHBondContact O-CD2 3.24Å; C252-F256 PolarHBondContact O-N 3Å |
| 253 | S | 88.1 | Confident | 87.6 | Confident | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.007 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59.7 | -40.4 | 171.4 | 70.4 | 0 | 0 | 0 | 0 | 110.5 | N195 V249 S250 M251 F256 I257 | N195-S253 PolarHBondContact OD1-OG 2.95Å; V249-S253 PolarHBondContact O-N 3.25Å; S250-S253 WeakPolarHBondContact O-CB 3.35Å; S250-S253 PolarHBondContact O-N 3.27Å; S250-S253 VanDerWaalsContact O-N 3.17Å; S250-S253 PolarHBondContact O-OG 2.73Å; M251-S253 PolarHBondContact O-N 3.4Å; S253-F256 PolarHBondContact O-N 2.7Å; S253-I257 WeakPolarHBondContact O-CG1 3.43Å; S253-I257 PolarHBondContact O-N 3.04Å; S253-I257 VanDerWaalsContact O-N 3.17Å |
| 254 | Q | 88.8 | Confident | 87.3 | Confident | 2 Ų | 2 | 9.7 Ų | 9.7 | 1% | 0.009 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -69.5 | -35.9 | -179.7 | -166.5 | 54.7 | 32.3 | 0 | 0 | 112.2 | V198 I213 A217 M251 C252 F256 I257 A258 | V198-Q254 HydrophobicContact CG1-CG 4.38Å; V198-Q254 HydrophobicContact CG2-CG 4.34Å; I213-Q254 HydrophobicContact CG2-CG 3.55Å; A217-Q254 HydrophobicContact CB-CB 4.05Å; A217-Q254 HydrophobicContact CB-CG 4.26Å; M251-Q254 WeakPolarHBondContact O-CB 3.49Å; M251-Q254 PolarHBondContact O-N 2.72Å; C252-Q254 PolarHBondContact O-N 3.36Å; Q254-F256 VanDerWaalsContact C-N 3.33Å; Q254-F256 PolarHBondContact O-N 3.01Å; Q254-I257 PolarHBondContact O-N 3.09Å; Q254-A258 VanDerWaalsContact O-CB 3.22Å; Q254-A258 WeakPolarHBondContact O-CB 3.44Å; Q254-A258 PolarHBondContact O-N 3.45Å |
| 255 | L | 91.2 | Very high | 87 | Confident | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -59.4 | -43.4 | 173.5 | -62.2 | -179 | 0 | 0 | 0 | 111.6 | T162 N214 A217 M218 M251 C252 K259 | T162-L255 HydrophobicContact CG2-CB 3.7Å; T162-L255 HydrophobicContact CG2-CD1 4.13Å; N214-L255 WeakPolarHBondContact OD1-CD2 3.49Å; A217-L255 HydrophobicContact CB-CD2 3.66Å; A217-L255 HydrophobicContact CB-CG 4.14Å; M218-L255 HydrophobicContact CB-CD2 4.41Å; M218-L255 HydrophobicContact CE-CD2 4.2Å; M218-L255 HydrophobicContact CG-CD1 4.44Å; M218-L255 HydrophobicContact CG-CD2 3.43Å; M218-L255 VanDerWaalsContact CG-CD2 3.43Å; M251-L255 PolarHBondContact O-N 3.21Å; C252-L255 PolarHBondContact O-N 3.41Å; L255-K259 VanDerWaalsContact O-CB 3.24Å; L255-K259 WeakPolarHBondContact O-CB 3.24Å; L255-K259 WeakPolarHBondContact O-CG 3.41Å; L255-K259 PolarHBondContact O-N 2.85Å |
| 256 | F | 88.4 | Confident | 86.6 | Confident | 36 Ų | 36 | 12.6 Ų | 12.6 | 16% | 0.158 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -61 | -52.3 | 175.9 | -84.6 | -66.6 | 0 | 0 | 0 | 111.5 | I159 T162 T163 V166 C252 S253 Q254 K259 Y260 | I159-F256 HydrophobicContact CD1-CD1 3.57Å; I159-F256 HydrophobicContact CD1-CE1 3.75Å; I159-F256 HydrophobicContact CG1-CD1 4.44Å; I159-F256 HydrophobicContact CG1-CE1 4.18Å; T162-F256 HydrophobicContact CG2-CD1 4.5Å; T162-F256 HydrophobicContact CG2-CD2 3.91Å; T162-F256 HydrophobicContact CG2-CE1 4.37Å; T162-F256 HydrophobicContact CG2-CE2 3.78Å; T162-F256 HydrophobicContact CG2-CG 4.28Å; T162-F256 HydrophobicContact CG2-CZ 4.02Å; T163-F256 HydrophobicContact CG2-CZ 4.23Å; T163-F256 WeakPolarHBondContact OG1-CE1 3.46Å; T163-F256 WeakPolarHBondContact OG1-CZ 3.19Å; V166-F256 HydrophobicContact CB-CE2 4.22Å; V166-F256 HydrophobicContact CG1-CE2 4.45Å; V166-F256 HydrophobicContact CG2-CE2 3.88Å; C252-F256 VanDerWaalsContact O-CD2 3.32Å; C252-F256 WeakPolarHBondContact O-CD2 3.24Å; C252-F256 PolarHBondContact O-N 3Å; S253-F256 PolarHBondContact O-N 2.7Å; Q254-F256 VanDerWaalsContact C-N 3.33Å; Q254-F256 PolarHBondContact O-N 3.01Å; F256-K259 PolarHBondContact O-N 2.79Å; F256-Y260 HydrophobicContact CD1-CD2 4.41Å; F256-Y260 AromaticContact CD1-CE2 3.87Å; F256-Y260 HydrophobicContact CD1-CE2 3.87Å; F256-Y260 WeakPolarHBondContact O-CB 3.38Å; F256-Y260 WeakPolarHBondContact O-CD2 3.49Å; F256-Y260 PolarHBondContact O-N 3.37Å |
| 257 | I | 87.1 | Confident | 86.1 | Confident | 16 Ų | 16 | 11.7 Ų | 11.7 | 8% | 0.082 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -65.8 | -45.8 | -173.7 | -62.9 | 167.3 | 0 | 0 | 0 | 110.6 | M32 Q35 N36 N195 S253 Q254 M261 | M32-I257 HydrophobicContact CE-CG2 4.28Å; M32-I257 HydrophobicContact SD-CG2 3.87Å; Q35-I257 HydrophobicContact CG-CG2 3.92Å; N36-I257 WeakPolarHBondContact OD1-CD1 3.44Å; N36-I257 VanDerWaalsContact OD1-CG2 3.23Å; N36-I257 WeakPolarHBondContact OD1-CG2 3.49Å; N195-I257 WeakPolarHBondContact ND2-CD1 3.43Å; S253-I257 WeakPolarHBondContact O-CG1 3.43Å; S253-I257 PolarHBondContact O-N 3.04Å; S253-I257 VanDerWaalsContact O-N 3.17Å; Q254-I257 PolarHBondContact O-N 3.09Å; I257-M261 WeakPolarHBondContact O-CB 3.39Å; I257-M261 PolarHBondContact O-N 3.05Å |
| 258 | A | 86.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -61.5 | -49 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I213 N214 Q254 M261 M262 | I213-A258 HydrophobicContact CG2-CB 4.34Å; N214-A258 HydrophobicContact CB-CB 3.95Å; Q254-A258 VanDerWaalsContact O-CB 3.22Å; Q254-A258 WeakPolarHBondContact O-CB 3.44Å; Q254-A258 PolarHBondContact O-N 3.45Å; A258-M261 PolarHBondContact O-N 3.24Å; A258-M262 WeakPolarHBondContact O-CB 3.4Å; A258-M262 WeakPolarHBondContact O-CG 3.25Å; A258-M262 PolarHBondContact O-N 2.94Å |
| 259 | K | 89.4 | Confident | 84.2 | Confident | 2 Ų | 2 | 11.3 Ų | 11.3 | 1% | 0.009 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -63.3 | -46 | -179.2 | -72.4 | 174.6 | -179.6 | 175.7 | 0 | 112.4 | G158 I159 T162 M218 L255 F256 M261 M262 V263 D315 | G158-K259 PolarHBondContact O-NZ 3.31Å; I159-K259 HydrophobicContact CD1-CB 4.31Å; I159-K259 HydrophobicContact CD1-CD 4.26Å; T162-K259 PolarHBondContact OG1-NZ 2.84Å; M218-K259 VanDerWaalsContact CE-CE 3.48Å; L255-K259 VanDerWaalsContact O-CB 3.24Å; L255-K259 WeakPolarHBondContact O-CB 3.24Å; L255-K259 WeakPolarHBondContact O-CG 3.41Å; L255-K259 PolarHBondContact O-N 2.85Å; F256-K259 PolarHBondContact O-N 2.79Å; K259-M261 VanDerWaalsContact C-N 3.27Å; K259-M261 PolarHBondContact O-N 3.36Å; K259-M262 PolarHBondContact O-N 3.38Å; K259-V263 WeakPolarHBondContact O-CG2 3.45Å; K259-V263 PolarHBondContact O-N 3.38Å; K259-D315 IonicContact NZ-OD1 3.22Å; K259-D315 PolarHBondContact NZ-OD1 3.37Å; K259-D315 IonicContact NZ-OD2 3.34Å; K259-D315 PolarHBondContact NZ-OD2 2.96Å |
| 260 | Y | 85.4 | Confident | 83.2 | Confident | 16 Ų | 16 | 13.1 Ų | 13.1 | 6% | 0.063 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.5 | -38 | 176.5 | -84.2 | -66.5 | 0 | 0 | 0 | 111.8 | M19 I159 F256 V263 N264 V276 V279 S280 | M19-Y260 HydrophobicContact CE-CD1 4.45Å; M19-Y260 HydrophobicContact CE-CD2 4.01Å; M19-Y260 HydrophobicContact CE-CE2 4.21Å; M19-Y260 HydrophobicContact CE-CG 4.16Å; M19-Y260 HydrophobicContact SD-CD1 3.93Å; M19-Y260 HydrophobicContact SD-CD2 4.48Å; M19-Y260 HydrophobicContact SD-CE1 4.32Å; M19-Y260 HydrophobicContact SD-CG 4.04Å; I159-Y260 HydrophobicContact CD1-CE2 4.11Å; F256-Y260 HydrophobicContact CD1-CD2 4.41Å; F256-Y260 AromaticContact CD1-CE2 3.87Å; F256-Y260 HydrophobicContact CD1-CE2 3.87Å; F256-Y260 WeakPolarHBondContact O-CB 3.38Å; F256-Y260 WeakPolarHBondContact O-CD2 3.49Å; F256-Y260 PolarHBondContact O-N 3.37Å; Y260-V263 PolarHBondContact O-N 2.84Å; Y260-N264 PolarHBondContact O-N 2.75Å; Y260-N264 PolarHBondContact O-ND2 3.47Å; Y260-V276 HydrophobicContact CD1-CG1 4.43Å; Y260-V276 HydrophobicContact CE1-CG1 4.36Å; Y260-V279 HydrophobicContact CE1-CG1 4.05Å; Y260-S280 PolarHBondContact OH-OG 2.96Å |
| 261 | M | 82 | Confident | 82.6 | Confident | 6 Ų | 6 | 13 Ų | 13 | 3% | 0.03 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -72.1 | -40 | 178.4 | -155.2 | 158.4 | 73.5 | 0 | 0 | 112.4 | M32 R210 I257 A258 K259 V263 N264 E265 | M32-M261 HydrophobicContact CB-CE 4.05Å; M32-M261 HydrophobicContact CB-SD 4.3Å; M32-M261 HydrophobicContact CE-CE 4.26Å; M32-M261 HydrophobicContact CG-CE 4.12Å; M32-M261 HydrophobicContact SD-CE 3.32Å; M32-M261 WeakPolarHBondContact SD-CE 3.32Å; M32-M261 HydrophobicContact SD-SD 3.91Å; R210-M261 VanDerWaalsContact CD-CE 3.45Å; I257-M261 WeakPolarHBondContact O-CB 3.39Å; I257-M261 PolarHBondContact O-N 3.05Å; A258-M261 PolarHBondContact O-N 3.24Å; K259-M261 VanDerWaalsContact C-N 3.27Å; K259-M261 PolarHBondContact O-N 3.36Å; M261-V263 VanDerWaalsContact C-N 3.29Å; M261-V263 PolarHBondContact O-N 3.41Å; M261-N264 CarbonylContact O-C 3.5Å; M261-N264 WeakPolarHBondContact O-CA 3.24Å; M261-N264 WeakPolarHBondContact O-CB 3.43Å; M261-N264 PolarHBondContact O-N 3.16Å; M261-E265 WeakPolarHBondContact O-CG 3.47Å; M261-E265 PolarHBondContact O-N 3.3Å |
| 262 | M | 84.6 | Confident | 82 | Confident | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -59.8 | -39.1 | 172.5 | -68.8 | 175.2 | 74.5 | 0 | 0 | 111.7 | F155 R210 A258 K259 N264 E265 L266 L323 T326 | F155-M262 HydrophobicContact CE1-CB 3.71Å; F155-M262 HydrophobicContact CE1-CE 4.5Å; F155-M262 HydrophobicContact CE1-SD 4.48Å; F155-M262 HydrophobicContact CZ-CB 3.62Å; F155-M262 HydrophobicContact CZ-CE 4.41Å; R210-M262 HydrophobicContact CB-CG 4Å; A258-M262 WeakPolarHBondContact O-CB 3.4Å; A258-M262 WeakPolarHBondContact O-CG 3.25Å; A258-M262 PolarHBondContact O-N 2.94Å; K259-M262 PolarHBondContact O-N 3.38Å; M262-N264 VanDerWaalsContact C-N 3.35Å; M262-E265 PolarHBondContact O-N 3.34Å; M262-L266 WeakPolarHBondContact O-CB 3.47Å; M262-L266 PolarHBondContact O-N 3.27Å; M262-L323 HydrophobicContact CE-CB 4.05Å; M262-L323 HydrophobicContact CE-CD1 4.03Å; M262-L323 HydrophobicContact CE-CD2 4.18Å; M262-L323 HydrophobicContact CE-CG 4.32Å; M262-T326 HydrophobicContact CE-CG2 4.45Å |
| 263 | V | 84.4 | Confident | 81.7 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.3 | -43 | 172.3 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | F155 K259 Y260 M261 E265 Y267 A275 V276 V279 | F155-V263 HydrophobicContact CB-CG2 4.05Å; F155-V263 HydrophobicContact CD1-CG2 3.66Å; F155-V263 HydrophobicContact CD2-CG2 3.7Å; F155-V263 HydrophobicContact CE1-CG2 3.96Å; F155-V263 HydrophobicContact CE2-CG2 3.99Å; F155-V263 HydrophobicContact CG-CG2 3.53Å; F155-V263 HydrophobicContact CZ-CG2 4.11Å; K259-V263 WeakPolarHBondContact O-CG2 3.45Å; K259-V263 PolarHBondContact O-N 3.38Å; Y260-V263 PolarHBondContact O-N 2.84Å; M261-V263 VanDerWaalsContact C-N 3.29Å; M261-V263 PolarHBondContact O-N 3.41Å; V263-E265 VanDerWaalsContact C-N 3.35Å; V263-E265 PolarHBondContact O-N 2.89Å; V263-Y267 HydrophobicContact CB-CD2 4.4Å; V263-Y267 HydrophobicContact CG1-CD2 3.86Å; V263-Y267 HydrophobicContact CG1-CE2 4.13Å; V263-Y267 HydrophobicContact CG2-CE2 4.49Å; V263-Y267 WeakPolarHBondContact O-CB 3.41Å; V263-Y267 VanDerWaalsContact O-CD2 3.24Å; V263-Y267 WeakPolarHBondContact O-CD2 3.36Å; V263-Y267 PolarHBondContact O-N 3.35Å; V263-A275 HydrophobicContact CG1-CB 3.87Å; V263-V276 HydrophobicContact CG1-CG2 3.79Å; V263-V279 HydrophobicContact CG2-CG2 4.23Å |
| 264 | N | 79.3 | Confident | 81.4 | Confident | 5 Ų | 5 | 16.6 Ų | 16.6 | 3% | 0.027 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.7 | -34.9 | 177.8 | -74.6 | -34.9 | 0 | 0 | 0 | 113.1 | Y260 M261 M262 R272 V276 L331 | Y260-N264 PolarHBondContact O-N 2.75Å; Y260-N264 PolarHBondContact O-ND2 3.47Å; M261-N264 CarbonylContact O-C 3.5Å; M261-N264 WeakPolarHBondContact O-CA 3.24Å; M261-N264 WeakPolarHBondContact O-CB 3.43Å; M261-N264 PolarHBondContact O-N 3.16Å; M262-N264 VanDerWaalsContact C-N 3.35Å; N264-R272 PolarHBondContact O-NE 2.8Å; N264-R272 PolarHBondContact O-NH2 3.47Å; N264-R272 WeakPolarHBondContact OD1-CD 3.44Å; N264-V276 WeakPolarHBondContact OD1-CG2 3.37Å; N264-L331 WeakPolarHBondContact O-CD2 3.38Å |
| 265 | E | 79.3 | Confident | 81.2 | Confident | 33 Ų | 33 | 16.6 Ų | 16.6 | 15% | 0.154 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -80 | -34.7 | -178.9 | -70.9 | 176.7 | 177.9 | 0 | 0 | 112.8 | R210 M261 M262 V263 | R210-E265 IonicContact NE-OE1 2.66Å; M261-E265 WeakPolarHBondContact O-CG 3.47Å; M261-E265 PolarHBondContact O-N 3.3Å; M262-E265 PolarHBondContact O-N 3.34Å; V263-E265 VanDerWaalsContact C-N 3.35Å; V263-E265 PolarHBondContact O-N 2.89Å |
| 266 | L | 78.7 | Confident | 80.9 | Confident | 39 Ų | 39 | 16.6 Ų | 16.6 | 20% | 0.204 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -88.9 | -29.6 | -172.1 | -163.3 | 65.5 | 0 | 0 | 0 | 113.9 | Q151 F155 M262 L323 T326 | Q151-L266 HydrophobicContact CB-CD2 4.18Å; Q151-L266 HydrophobicContact CG-CD2 3.78Å; F155-L266 HydrophobicContact CE2-CD2 3.74Å; F155-L266 HydrophobicContact CZ-CD2 4.18Å; M262-L266 WeakPolarHBondContact O-CB 3.47Å; M262-L266 PolarHBondContact O-N 3.27Å; L266-L323 HydrophobicContact CD2-CD2 3.81Å; L266-T326 HydrophobicContact CD1-CG2 4.16Å |
| 267 | Y | 78.1 | Confident | 80.8 | Confident | 4 Ų | 4 | 16.4 Ų | 16.4 | 2% | 0.016 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -89.9 | 138.1 | -179.2 | -73.2 | -94.7 | 0 | 0 | 0 | 111.9 | L142 M148 S152 F155 V263 V271 R272 A275 | L142-Y267 HydrophobicContact CD1-CD1 3.75Å; L142-Y267 HydrophobicContact CD1-CE1 3.3Å; L142-Y267 HydrophobicContact CG-CE1 4.03Å; M148-Y267 HydrophobicContact CE-CD1 4.37Å; M148-Y267 HydrophobicContact CE-CE1 4.39Å; S152-Y267 WeakPolarHBondContact CA-OH 3.33Å; S152-Y267 WeakPolarHBondContact CB-OH 3.31Å; S152-Y267 PolarHBondContact N-OH 2.9Å; S152-Y267 VanDerWaalsContact N-OH 3.16Å; S152-Y267 PolarHBondContact OG-OH 3.12Å; F155-Y267 AromaticContact CD2-CE2 3.93Å; F155-Y267 HydrophobicContact CD2-CE2 3.93Å; F155-Y267 HydrophobicContact CE2-CE2 4.02Å; V263-Y267 HydrophobicContact CB-CD2 4.4Å; V263-Y267 HydrophobicContact CG1-CD2 3.86Å; V263-Y267 HydrophobicContact CG1-CE2 4.13Å; V263-Y267 HydrophobicContact CG2-CE2 4.49Å; V263-Y267 WeakPolarHBondContact O-CB 3.41Å; V263-Y267 VanDerWaalsContact O-CD2 3.24Å; V263-Y267 WeakPolarHBondContact O-CD2 3.36Å; V263-Y267 PolarHBondContact O-N 3.35Å; Y267-V271 HydrophobicContact CD1-CG2 4.2Å; Y267-R272 PolarHBondContact O-NE 2.78Å; Y267-R272 PolarHBondContact O-NH2 2.82Å; Y267-A275 HydrophobicContact CD1-CB 3.69Å; Y267-A275 HydrophobicContact CD2-CB 3.92Å; Y267-A275 HydrophobicContact CE1-CB 3.94Å; Y267-A275 HydrophobicContact CE2-CB 4.12Å; Y267-A275 HydrophobicContact CG-CB 3.67Å |
| 268 | P | 71.1 | Confident | 80.8 | Confident | 8 Ų | 8 | 16.3 Ų | 16.3 | 5% | 0.052 | 10% | 0.095 | C | C | . | . | trans | -68.7 | 148.4 | 177.8 | 22.5 | -25.2 | 0 | 0 | 0 | 110.7 | A270 V271 R272 E332 L335 | P268-A270 PolarHBondContact O-N 3.05Å; P268-V271 HydrophobicContact CG-CG2 3.82Å; P268-V271 PolarHBondContact O-N 3.28Å; P268-R272 PolarHBondContact O-N 3.4Å; P268-E332 WeakPolarHBondContact CA-O 3.2Å; P268-E332 HydrophobicContact CB-CB 4.45Å; P268-E332 VanDerWaalsContact CB-O 3.27Å; P268-E332 WeakPolarHBondContact CB-O 3.28Å; P268-L335 HydrophobicContact CG-CD2 3.84Å; P268-L335 HydrophobicContact CG-CG 4.26Å | ||
| 269 | T | 69.8 | Low | 80.9 | Confident | 23 Ų | 23 | 16.5 Ų | 16.5 | 14% | 0.141 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -51.4 | -35.3 | -171.4 | -54.5 | 0 | 0 | 0 | 0 | 112.9 | V271 R272 E332 | T269-V271 VanDerWaalsContact C-N 3.3Å; T269-V271 PolarHBondContact O-N 3.17Å; T269-R272 PolarHBondContact OG1-NH1 3.04Å; T269-R272 VanDerWaalsContact OG1-NH1 3.13Å; T269-R272 PolarHBondContact OG1-NH2 3.27Å; T269-E332 PolarHBondContact N-O 2.96Å |
| 270 | A | 67.3 | Low | 80.8 | Confident | 38 Ų | 38 | 17.1 Ų | 17.1 | 31% | 0.314 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -61.3 | -28.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y137 P268 | Y137-A270 HydrophobicContact CD2-CB 4.04Å; Y137-A270 HydrophobicContact CE2-CB 3.64Å; P268-A270 PolarHBondContact O-N 3.05Å |
| 271 | V | 75.4 | Confident | 80.9 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -122.7 | -1 | -178.6 | -59.1 | 0 | 0 | 0 | 0 | 113.2 | Y137 H141 M148 Y267 P268 T269 N273 L274 A275 L335 | Y137-V271 HydrophobicContact CD1-CG1 4.27Å; Y137-V271 HydrophobicContact CG-CG1 4.25Å; H141-V271 HydrophobicContact CB-CG1 4.19Å; M148-V271 HydrophobicContact CE-CG2 4.37Å; Y267-V271 HydrophobicContact CD1-CG2 4.2Å; P268-V271 HydrophobicContact CG-CG2 3.82Å; P268-V271 PolarHBondContact O-N 3.28Å; T269-V271 VanDerWaalsContact C-N 3.3Å; T269-V271 PolarHBondContact O-N 3.17Å; V271-N273 VanDerWaalsContact C-N 3.35Å; V271-N273 PolarHBondContact O-N 2.69Å; V271-L274 HydrophobicContact CG1-CD1 4.47Å; V271-L274 WeakPolarHBondContact O-CB 3.45Å; V271-L274 PolarHBondContact O-N 3.35Å; V271-L274 VanDerWaalsContact O-N 3.1Å; V271-A275 PolarHBondContact O-N 2.92Å; V271-L335 HydrophobicContact CG1-CD1 4.04Å; V271-L335 HydrophobicContact CG1-CD2 3.87Å; V271-L335 HydrophobicContact CG1-CG 4.2Å; V271-L335 HydrophobicContact CG2-CD2 3.96Å |
| 272 | R | 79.6 | Confident | 81.3 | Confident | 9 Ų | 9 | 23 Ų | 23 | 3% | 0.034 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -54.8 | -47.9 | 179.9 | -176.4 | -178.3 | -64.8 | 127.1 | 11.6 | 112.1 | N264 Y267 P268 T269 L274 A275 V276 | N264-R272 PolarHBondContact O-NE 2.8Å; N264-R272 PolarHBondContact O-NH2 3.47Å; N264-R272 WeakPolarHBondContact OD1-CD 3.44Å; Y267-R272 PolarHBondContact O-NE 2.78Å; Y267-R272 PolarHBondContact O-NH2 2.82Å; P268-R272 PolarHBondContact O-N 3.4Å; T269-R272 PolarHBondContact OG1-NH1 3.04Å; T269-R272 VanDerWaalsContact OG1-NH1 3.13Å; T269-R272 PolarHBondContact OG1-NH2 3.27Å; R272-L274 VanDerWaalsContact C-N 3.27Å; R272-L274 PolarHBondContact O-N 3.27Å; R272-A275 WeakPolarHBondContact O-CB 3.38Å; R272-A275 PolarHBondContact O-N 3.21Å; R272-A275 VanDerWaalsContact O-N 3.12Å; R272-V276 HydrophobicContact CG-CG2 4.44Å; R272-V276 WeakPolarHBondContact O-CG2 3.26Å; R272-V276 PolarHBondContact O-N 3.33Å |
| 273 | N | 79.9 | Confident | 81.6 | Confident | 76 Ų | 76 | 23.3 Ų | 23.3 | 41% | 0.406 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -62.4 | -35.5 | 179.4 | -67.1 | -2.8 | 0 | 0 | 0 | 112 | V20 V271 S277 | V20-N273 WeakPolarHBondContact CG1-OD1 3.29Å; V20-N273 WeakPolarHBondContact CG2-OD1 3.49Å; V271-N273 VanDerWaalsContact C-N 3.35Å; V271-N273 PolarHBondContact O-N 2.69Å; N273-S277 VanDerWaalsContact O-CB 3.28Å; N273-S277 WeakPolarHBondContact O-CB 3.3Å; N273-S277 PolarHBondContact O-N 3.5Å; N273-S277 PolarHBondContact O-OG 3.09Å |
| 274 | L | 83.7 | Confident | 81.8 | Confident | 36 Ų | 36 | 28 Ų | 28 | 19% | 0.188 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.2 | -42 | 175.1 | -66.6 | 167 | 0 | 0 | 0 | 111.3 | Y137 F139 V271 R272 S277 A278 | Y137-L274 WeakPolarHBondContact O-CD1 3.4Å; F139-L274 HydrophobicContact CE1-CB 4.47Å; F139-L274 HydrophobicContact CE1-CD2 4.27Å; F139-L274 HydrophobicContact CE2-CD2 4.28Å; F139-L274 HydrophobicContact CZ-CD2 4.14Å; V271-L274 HydrophobicContact CG1-CD1 4.47Å; V271-L274 WeakPolarHBondContact O-CB 3.45Å; V271-L274 PolarHBondContact O-N 3.35Å; V271-L274 VanDerWaalsContact O-N 3.1Å; R272-L274 VanDerWaalsContact C-N 3.27Å; R272-L274 PolarHBondContact O-N 3.27Å; L274-S277 PolarHBondContact O-N 3.3Å; L274-A278 WeakPolarHBondContact O-CB 3.28Å; L274-A278 PolarHBondContact O-N 3.06Å |
| 275 | A | 84.3 | Confident | 82.4 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62 | -50.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L142 V263 Y267 V271 R272 S277 A278 V279 | L142-A275 HydrophobicContact CD1-CB 3.52Å; V263-A275 HydrophobicContact CG1-CB 3.87Å; Y267-A275 HydrophobicContact CD1-CB 3.69Å; Y267-A275 HydrophobicContact CD2-CB 3.92Å; Y267-A275 HydrophobicContact CE1-CB 3.94Å; Y267-A275 HydrophobicContact CE2-CB 4.12Å; Y267-A275 HydrophobicContact CG-CB 3.67Å; V271-A275 PolarHBondContact O-N 2.92Å; R272-A275 WeakPolarHBondContact O-CB 3.38Å; R272-A275 PolarHBondContact O-N 3.21Å; R272-A275 VanDerWaalsContact O-N 3.12Å; A275-S277 VanDerWaalsContact C-N 3.29Å; A275-S277 PolarHBondContact O-N 3.27Å; A275-A278 PolarHBondContact O-N 3.47Å; A275-V279 WeakPolarHBondContact O-CB 3.36Å; A275-V279 WeakPolarHBondContact O-CG2 3.49Å; A275-V279 PolarHBondContact O-N 2.88Å |
| 276 | V | 84.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60 | -41.5 | 176.9 | 174 | 0 | 0 | 0 | 0 | 110.7 | Y260 V263 N264 R272 S280 | Y260-V276 HydrophobicContact CD1-CG1 4.43Å; Y260-V276 HydrophobicContact CE1-CG1 4.36Å; V263-V276 HydrophobicContact CG1-CG2 3.79Å; N264-V276 WeakPolarHBondContact OD1-CG2 3.37Å; R272-V276 HydrophobicContact CG-CG2 4.44Å; R272-V276 WeakPolarHBondContact O-CG2 3.26Å; R272-V276 PolarHBondContact O-N 3.33Å; V276-S280 VanDerWaalsContact O-CB 3.26Å; V276-S280 WeakPolarHBondContact O-CB 3.33Å; V276-S280 PolarHBondContact O-N 2.78Å; V276-S280 PolarHBondContact O-OG 3.34Å |
| 277 | S | 84.9 | Confident | 83.4 | Confident | 33 Ų | 33 | 28.2 Ų | 28.2 | 23% | 0.231 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.6 | -43.9 | 177.2 | -58.7 | 0 | 0 | 0 | 0 | 112 | N273 L274 A275 S280 T281 | N273-S277 VanDerWaalsContact O-CB 3.28Å; N273-S277 WeakPolarHBondContact O-CB 3.3Å; N273-S277 PolarHBondContact O-N 3.5Å; N273-S277 PolarHBondContact O-OG 3.09Å; L274-S277 PolarHBondContact O-N 3.3Å; A275-S277 VanDerWaalsContact C-N 3.29Å; A275-S277 PolarHBondContact O-N 3.27Å; S277-S280 PolarHBondContact O-N 3.16Å; S277-T281 PolarHBondContact O-N 3.32Å; S277-T281 PolarHBondContact O-OG1 3.22Å |
| 278 | A | 88 | Confident | 84.1 | Confident | 14 Ų | 14 | 34 Ų | 34 | 12% | 0.116 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.7 | -47.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F139 L142 L274 A275 S280 T281 M282 | F139-A278 HydrophobicContact CD1-CB 4.3Å; F139-A278 HydrophobicContact CE1-CB 4.05Å; L142-A278 HydrophobicContact CD2-CB 4.32Å; L274-A278 WeakPolarHBondContact O-CB 3.28Å; L274-A278 PolarHBondContact O-N 3.06Å; A275-A278 PolarHBondContact O-N 3.47Å; A278-S280 VanDerWaalsContact C-N 3.33Å; A278-S280 PolarHBondContact O-N 2.93Å; A278-T281 PolarHBondContact O-N 3.37Å; A278-M282 VanDerWaalsContact O-CG 3.3Å; A278-M282 WeakPolarHBondContact O-CG 3.27Å; A278-M282 PolarHBondContact O-N 3.21Å |
| 279 | V | 88.8 | Confident | 85 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.024 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.9 | -43.8 | 175 | 170 | 0 | 0 | 0 | 0 | 110.4 | F155 I159 Y260 V263 A275 M282 S283 | F155-V279 HydrophobicContact CB-CG2 3.92Å; I159-V279 HydrophobicContact CB-CG1 3.77Å; I159-V279 HydrophobicContact CD1-CG1 4.4Å; I159-V279 HydrophobicContact CG1-CG1 3.78Å; I159-V279 HydrophobicContact CG2-CB 4.42Å; I159-V279 HydrophobicContact CG2-CG1 3.64Å; I159-V279 VanDerWaalsContact CG2-O 3.28Å; I159-V279 WeakPolarHBondContact CG2-O 3.46Å; Y260-V279 HydrophobicContact CE1-CG1 4.05Å; V263-V279 HydrophobicContact CG2-CG2 4.23Å; A275-V279 WeakPolarHBondContact O-CB 3.36Å; A275-V279 WeakPolarHBondContact O-CG2 3.49Å; A275-V279 PolarHBondContact O-N 2.88Å; V279-M282 PolarHBondContact O-N 3.2Å; V279-S283 PolarHBondContact O-N 3.02Å |
| 280 | S | 87.3 | Confident | 86 | Confident | 15 Ų | 15 | 38.3 Ų | 38.3 | 11% | 0.105 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.2 | -42.5 | 178.3 | -59.6 | 0 | 0 | 0 | 0 | 112.4 | Y260 V276 S277 A278 S283 R284 | Y260-S280 PolarHBondContact OH-OG 2.96Å; V276-S280 VanDerWaalsContact O-CB 3.26Å; V276-S280 WeakPolarHBondContact O-CB 3.33Å; V276-S280 PolarHBondContact O-N 2.78Å; V276-S280 PolarHBondContact O-OG 3.34Å; S277-S280 PolarHBondContact O-N 3.16Å; A278-S280 VanDerWaalsContact C-N 3.33Å; A278-S280 PolarHBondContact O-N 2.93Å; S280-S283 WeakPolarHBondContact O-CB 3.49Å; S280-S283 PolarHBondContact O-N 3.3Å; S280-S283 PolarHBondContact O-OG 3.38Å; S280-R284 PolarHBondContact O-N 3.02Å |
| 281 | T | 88.5 | Confident | 86.9 | Confident | 90 Ų | 90 | 39.1 Ų | 39.1 | 55% | 0.552 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -62.2 | -45.5 | 176.2 | -60 | 0 | 0 | 0 | 0 | 111.1 | S277 A278 S283 R284 I285 | S277-T281 PolarHBondContact O-N 3.32Å; S277-T281 PolarHBondContact O-OG1 3.22Å; A278-T281 PolarHBondContact O-N 3.37Å; T281-S283 VanDerWaalsContact C-N 3.3Å; T281-S283 PolarHBondContact O-N 2.89Å; T281-R284 WeakPolarHBondContact O-CB 3.33Å; T281-R284 PolarHBondContact O-N 3.29Å; T281-I285 PolarHBondContact O-N 3.33Å |
| 282 | M | 89.9 | Confident | 87.6 | Confident | 56 Ų | 56 | 43.2 Ų | 43.2 | 28% | 0.276 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.9 | -33.3 | 178.7 | -69.1 | -62.8 | -49.9 | 0 | 0 | 112.3 | I156 I159 T160 A278 V279 R284 I285 G286 | I156-M282 HydrophobicContact CB-CG 4.38Å; I156-M282 HydrophobicContact CG1-CG 4.19Å; I156-M282 HydrophobicContact CG2-CB 3.99Å; I156-M282 HydrophobicContact CG2-CE 3.75Å; I156-M282 HydrophobicContact CG2-CG 3.56Å; I156-M282 HydrophobicContact CG2-SD 4.16Å; I159-M282 HydrophobicContact CG2-CB 4.44Å; T160-M282 PolarHBondContact OG1-O 3.25Å; A278-M282 VanDerWaalsContact O-CG 3.3Å; A278-M282 WeakPolarHBondContact O-CG 3.27Å; A278-M282 PolarHBondContact O-N 3.21Å; V279-M282 PolarHBondContact O-N 3.2Å; M282-R284 PolarHBondContact O-N 3.46Å; M282-I285 HydrophobicContact CE-CD1 3.97Å; M282-I285 WeakPolarHBondContact O-CB 3.43Å; M282-I285 PolarHBondContact O-N 3.26Å; M282-I285 VanDerWaalsContact O-N 3.16Å; M282-I285 HydrophobicContact SD-CD1 3.64Å; M282-G286 PolarHBondContact O-N 2.96Å |
| 283 | S | 90.6 | Very high | 88.1 | Confident | 6 Ų | 6 | 43.2 Ų | 43.2 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.7 | -38 | 171.3 | 82.8 | 0 | 0 | 0 | 0 | 111.9 | T163 V279 S280 T281 I285 G286 S287 | T163-S283 WeakPolarHBondContact CB-O 3.44Å; T163-S283 WeakPolarHBondContact CG2-O 3.47Å; T163-S283 WeakPolarHBondContact OG1-CB 3.23Å; V279-S283 PolarHBondContact O-N 3.02Å; S280-S283 WeakPolarHBondContact O-CB 3.49Å; S280-S283 PolarHBondContact O-N 3.3Å; S280-S283 PolarHBondContact O-OG 3.38Å; T281-S283 VanDerWaalsContact C-N 3.3Å; T281-S283 PolarHBondContact O-N 2.89Å; S283-I285 PolarHBondContact O-N 3.41Å; S283-G286 PolarHBondContact O-N 3.26Å; S283-G286 VanDerWaalsContact O-N 3.17Å; S283-S287 PolarHBondContact O-N 2.95Å; S283-S287 VanDerWaalsContact O-N 3.09Å |
| 284 | R | 89.1 | Confident | 88.4 | Confident | 98 Ų | 98 | 40.7 Ų | 40.7 | 37% | 0.37 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -67.6 | -37.2 | 179.3 | -60.4 | -64.7 | 163.4 | -175.2 | -2.1 | 112.2 | S280 T281 M282 G286 S287 M288 | S280-R284 PolarHBondContact O-N 3.02Å; T281-R284 WeakPolarHBondContact O-CB 3.33Å; T281-R284 PolarHBondContact O-N 3.29Å; M282-R284 PolarHBondContact O-N 3.46Å; R284-G286 VanDerWaalsContact C-N 3.29Å; R284-G286 PolarHBondContact O-N 3.16Å; R284-S287 WeakPolarHBondContact CA-OG 3.49Å; R284-S287 PolarHBondContact O-N 3.01Å; R284-S287 PolarHBondContact O-OG 3.36Å; R284-M288 VanDerWaalsContact O-CG 3.27Å; R284-M288 WeakPolarHBondContact O-CG 3.18Å; R284-M288 PolarHBondContact O-N 2.86Å |
| 285 | I | 90.6 | Very high | 88.5 | Confident | 61 Ų | 61 | 46.8 Ų | 46.8 | 31% | 0.313 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.9 | -44.7 | 172.9 | -58.2 | -176.5 | 0 | 0 | 0 | 109.9 | T281 M282 S283 S287 M288 F289 | T281-I285 PolarHBondContact O-N 3.33Å; M282-I285 HydrophobicContact CE-CD1 3.97Å; M282-I285 WeakPolarHBondContact O-CB 3.43Å; M282-I285 PolarHBondContact O-N 3.26Å; M282-I285 VanDerWaalsContact O-N 3.16Å; M282-I285 HydrophobicContact SD-CD1 3.64Å; S283-I285 PolarHBondContact O-N 3.41Å; I285-S287 PolarHBondContact O-N 3.14Å; I285-M288 WeakPolarHBondContact O-CB 3.47Å; I285-M288 PolarHBondContact O-N 3.2Å; I285-M288 VanDerWaalsContact O-N 3.14Å; I285-F289 HydrophobicContact CG2-CD2 3.93Å; I285-F289 HydrophobicContact CG2-CE2 3.61Å; I285-F289 VanDerWaalsContact O-CD2 3.24Å; I285-F289 WeakPolarHBondContact O-CD2 3.28Å; I285-F289 PolarHBondContact O-N 2.92Å |
| 286 | G | 90.3 | Very high | 88.6 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -54.7 | -49.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F164 M282 S283 R284 M288 F289 S290 | F164-G286 WeakPolarHBondContact CD2-O 3.47Å; M282-G286 PolarHBondContact O-N 2.96Å; S283-G286 PolarHBondContact O-N 3.26Å; S283-G286 VanDerWaalsContact O-N 3.17Å; R284-G286 VanDerWaalsContact C-N 3.29Å; R284-G286 PolarHBondContact O-N 3.16Å; G286-M288 VanDerWaalsContact C-N 3.29Å; G286-M288 PolarHBondContact O-N 3.43Å; G286-F289 PolarHBondContact O-N 3.29Å; G286-S290 PolarHBondContact O-N 2.94Å; G286-S290 PolarHBondContact O-OG 2.76Å; G286-S290 VanDerWaalsContact O-OG 3.11Å |
| 287 | S | 90.3 | Very high | 88.6 | Confident | 19 Ų | 19 | 50.9 Ų | 50.9 | 13% | 0.133 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66 | -27.6 | 178.2 | 64 | 0 | 0 | 0 | 0 | 114.4 | S283 R284 I285 F289 P291 | S283-S287 PolarHBondContact O-N 2.95Å; S283-S287 VanDerWaalsContact O-N 3.09Å; R284-S287 WeakPolarHBondContact CA-OG 3.49Å; R284-S287 PolarHBondContact O-N 3.01Å; R284-S287 PolarHBondContact O-OG 3.36Å; I285-S287 PolarHBondContact O-N 3.14Å; S287-F289 VanDerWaalsContact C-N 3.32Å; S287-P291 WeakPolarHBondContact O-CD 3.34Å |
| 288 | M | 91.1 | Very high | 88.6 | Confident | 124 Ų | 124 | 55.5 Ų | 55.5 | 61% | 0.611 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -70.2 | -29.7 | -180 | -77 | 172.4 | -178.6 | 0 | 0 | 112.5 | R284 I285 G286 Q292 | R284-M288 VanDerWaalsContact O-CG 3.27Å; R284-M288 WeakPolarHBondContact O-CG 3.18Å; R284-M288 PolarHBondContact O-N 2.86Å; I285-M288 WeakPolarHBondContact O-CB 3.47Å; I285-M288 PolarHBondContact O-N 3.2Å; I285-M288 VanDerWaalsContact O-N 3.14Å; G286-M288 VanDerWaalsContact C-N 3.29Å; G286-M288 PolarHBondContact O-N 3.43Å; M288-Q292 VanDerWaalsContact O-CD 3.29Å; M288-Q292 PolarHBondContact O-NE2 2.98Å; M288-Q292 PolarHBondContact O-OE1 2.98Å |
| 289 | F | 90.3 | Very high | 88.6 | Confident | 122 Ų | 122 | 64.3 Ų | 64.3 | 54% | 0.535 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -91.8 | -15.9 | 178.6 | -71.1 | -69.6 | 0 | 0 | 0 | 113.4 | F164 I285 G286 S287 Q292 | F164-F289 HydrophobicContact CD2-CB 4.21Å; F164-F289 HydrophobicContact CE2-CB 3.96Å; F164-F289 WeakPolarHBondContact CE2-O 3.4Å; I285-F289 HydrophobicContact CG2-CD2 3.93Å; I285-F289 HydrophobicContact CG2-CE2 3.61Å; I285-F289 VanDerWaalsContact O-CD2 3.24Å; I285-F289 WeakPolarHBondContact O-CD2 3.28Å; I285-F289 PolarHBondContact O-N 2.92Å; G286-F289 PolarHBondContact O-N 3.29Å; S287-F289 VanDerWaalsContact C-N 3.32Å; F289-Q292 PolarHBondContact O-N 3Å; F289-Q292 PolarHBondContact O-OE1 2.88Å; F289-Q292 VanDerWaalsContact O-OE1 3.05Å |
| 290 | S | 90.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -47.7 | -176.6 | -66.5 | 0 | 0 | 0 | 0 | 114.8 | F164 Y167 S168 G286 Q292 L293 | F164-S290 WeakPolarHBondContact CA-OG 3.4Å; F164-S290 PolarHBondContact O-OG 3.02Å; Y167-S290 WeakPolarHBondContact CB-OG 3.28Å; S168-S290 WeakPolarHBondContact OG-CA 3.35Å; S168-S290 WeakPolarHBondContact OG-CB 3.31Å; S168-S290 PolarHBondContact OG-O 3.38Å; G286-S290 PolarHBondContact O-N 2.94Å; G286-S290 PolarHBondContact O-OG 2.76Å; G286-S290 VanDerWaalsContact O-OG 3.11Å; S290-Q292 PolarHBondContact O-N 3.12Å; S290-L293 WeakPolarHBondContact O-CB 3.38Å; S290-L293 PolarHBondContact O-N 3.19Å |
| 291 | P | 87.3 | Confident | 88.5 | Confident | 55 Ų | 55 | 69.7 Ų | 69.7 | 36% | 0.357 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -58.3 | -36.1 | 179 | -22.2 | 29.5 | 0 | 0 | 0 | 113.7 | Y171 S287 L293 F294 | Y171-P291 HydrophobicContact CD2-CB 4.45Å; Y171-P291 HydrophobicContact CD2-CG 3.92Å; Y171-P291 HydrophobicContact CE2-CG 3.54Å; S287-P291 WeakPolarHBondContact O-CD 3.34Å; P291-L293 PolarHBondContact O-N 3.32Å; P291-F294 PolarHBondContact O-N 3.45Å |
| 292 | Q | 89.3 | Confident | 88.6 | Confident | 86 Ų | 86 | 70 Ų | 70 | 40% | 0.402 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -71.6 | -20.1 | -173.8 | -63 | 86.7 | -38.7 | 0 | 0 | 112.2 | M288 F289 S290 F294 Y295 | M288-Q292 VanDerWaalsContact O-CD 3.29Å; M288-Q292 PolarHBondContact O-NE2 2.98Å; M288-Q292 PolarHBondContact O-OE1 2.98Å; F289-Q292 PolarHBondContact O-N 3Å; F289-Q292 PolarHBondContact O-OE1 2.88Å; F289-Q292 VanDerWaalsContact O-OE1 3.05Å; S290-Q292 PolarHBondContact O-N 3.12Å; Q292-F294 PolarHBondContact O-N 2.89Å; Q292-Y295 HydrophobicContact CB-CD2 4.1Å; Q292-Y295 HydrophobicContact CB-CE2 4.28Å; Q292-Y295 HydrophobicContact CG-CE2 4.25Å; Q292-Y295 VanDerWaalsContact O-CD2 3.28Å; Q292-Y295 WeakPolarHBondContact O-CD2 3.37Å; Q292-Y295 PolarHBondContact O-N 3.37Å |
| 293 | L | 90.7 | Very high | 88.6 | Confident | 9 Ų | 9 | 69.4 Ų | 69.4 | 5% | 0.047 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -60.6 | -34.4 | 178.3 | -176.9 | 69.6 | 0 | 0 | 0 | 111.8 | F164 S290 P291 Y295 L296 P304 V307 L308 | F164-L293 HydrophobicContact CE1-CD1 4.28Å; F164-L293 HydrophobicContact CE1-CD2 4.09Å; F164-L293 HydrophobicContact CE2-CB 4.31Å; F164-L293 HydrophobicContact CZ-CB 3.94Å; F164-L293 HydrophobicContact CZ-CD1 3.85Å; F164-L293 HydrophobicContact CZ-CD2 3.91Å; F164-L293 HydrophobicContact CZ-CG 4.1Å; S290-L293 WeakPolarHBondContact O-CB 3.38Å; S290-L293 PolarHBondContact O-N 3.19Å; P291-L293 PolarHBondContact O-N 3.32Å; L293-Y295 VanDerWaalsContact C-N 3.27Å; L293-Y295 PolarHBondContact O-N 3.05Å; L293-L296 HydrophobicContact CD1-CD1 3.8Å; L293-L296 WeakPolarHBondContact O-CB 3.43Å; L293-L296 PolarHBondContact O-N 2.85Å; L293-L296 VanDerWaalsContact O-N 3.13Å; L293-P304 HydrophobicContact CD2-CB 4.2Å; L293-P304 HydrophobicContact CG-CB 4.02Å; L293-V307 HydrophobicContact CD1-CB 3.89Å; L293-V307 HydrophobicContact CD1-CG1 3.72Å; L293-V307 HydrophobicContact CD1-CG2 4.37Å; L293-L308 HydrophobicContact CD2-CD1 4.16Å; L293-L308 HydrophobicContact CD2-CD2 3.41Å; L293-L308 VanDerWaalsContact CD2-CD2 3.41Å; L293-L308 HydrophobicContact CD2-CG 3.63Å |
| 294 | F | 85.5 | Confident | 88.7 | Confident | 23 Ų | 23 | 69.1 Ų | 69.1 | 10% | 0.101 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -77.5 | -7.2 | -177 | -71.2 | -82.8 | 0 | 0 | 0 | 114.2 | S168 N172 P291 Q292 L296 S297 P304 Y305 | S168-F294 WeakPolarHBondContact O-CE2 3.3Å; S168-F294 WeakPolarHBondContact O-CZ 3.33Å; N172-F294 HydrophobicContact CB-CD1 4.37Å; N172-F294 HydrophobicContact CB-CE1 3.64Å; N172-F294 HydrophobicContact CB-CE2 4.06Å; N172-F294 HydrophobicContact CB-CZ 3.48Å; N172-F294 VanDerWaalsContact CB-CZ 3.48Å; P291-F294 PolarHBondContact O-N 3.45Å; Q292-F294 PolarHBondContact O-N 2.89Å; F294-L296 PolarHBondContact O-N 3.5Å; F294-S297 VanDerWaalsContact O-CB 3.28Å; F294-S297 WeakPolarHBondContact O-CB 3.39Å; F294-S297 PolarHBondContact O-N 2.9Å; F294-S297 PolarHBondContact O-OG 3.26Å; F294-P304 HydrophobicContact CD1-CB 4.2Å; F294-P304 HydrophobicContact CD1-CG 4.23Å; F294-P304 HydrophobicContact CE1-CB 4.05Å; F294-Y305 HydrophobicContact CE1-CE2 4.46Å |
| 295 | Y | 87.1 | Confident | 88.9 | Confident | 164 Ų | 164 | 64.8 Ų | 64.8 | 64% | 0.643 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -61.6 | -25.8 | 164.7 | -66.9 | -61.2 | 0 | 0 | 0 | 111.7 | Q292 L293 S297 D298 | Q292-Y295 HydrophobicContact CB-CD2 4.1Å; Q292-Y295 HydrophobicContact CB-CE2 4.28Å; Q292-Y295 HydrophobicContact CG-CE2 4.25Å; Q292-Y295 VanDerWaalsContact O-CD2 3.28Å; Q292-Y295 WeakPolarHBondContact O-CD2 3.37Å; Q292-Y295 PolarHBondContact O-N 3.37Å; L293-Y295 VanDerWaalsContact C-N 3.27Å; L293-Y295 PolarHBondContact O-N 3.05Å; Y295-S297 PolarHBondContact O-N 3.36Å; Y295-D298 WeakPolarHBondContact O-CB 3.45Å; Y295-D298 PolarHBondContact O-N 2.63Å |
| 296 | L | 86 | Confident | 89 | Confident | 66 Ų | 66 | 63.2 Ų | 63.2 | 35% | 0.346 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -70.4 | -16.6 | 173.7 | -67.8 | 148.5 | 0 | 0 | 0 | 112.8 | L293 F294 D298 Y299 A300 I303 P304 | L293-L296 HydrophobicContact CD1-CD1 3.8Å; L293-L296 WeakPolarHBondContact O-CB 3.43Å; L293-L296 PolarHBondContact O-N 2.85Å; L293-L296 VanDerWaalsContact O-N 3.13Å; F294-L296 PolarHBondContact O-N 3.5Å; L296-D298 PolarHBondContact O-N 2.6Å; L296-Y299 PolarHBondContact O-N 3.04Å; L296-A300 PolarHBondContact O-N 2.92Å; L296-I303 HydrophobicContact CB-CG2 3.97Å; L296-I303 HydrophobicContact CD2-CG2 4.24Å; L296-P304 HydrophobicContact CB-CG 4.26Å |
| 297 | S | 83.9 | Confident | 89.2 | Confident | 21 Ų | 21 | 65.5 Ų | 65.5 | 15% | 0.147 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -67.8 | -20 | 176.2 | 76.3 | 0 | 0 | 0 | 0 | 112.7 | F294 Y295 Y299 A300 | F294-S297 VanDerWaalsContact O-CB 3.28Å; F294-S297 WeakPolarHBondContact O-CB 3.39Å; F294-S297 PolarHBondContact O-N 2.9Å; F294-S297 PolarHBondContact O-OG 3.26Å; Y295-S297 PolarHBondContact O-N 3.36Å; S297-Y299 PolarHBondContact O-N 3.4Å; S297-A300 CarbonylContact O-C 3.59Å |
| 298 | D | 85.2 | Confident | 89.5 | Confident | 130 Ų | 130 | 64.6 Ų | 64.6 | 70% | 0.695 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -68.1 | -24.8 | 177.7 | -60.4 | -15.6 | 0 | 0 | 0 | 112 | Y295 L296 | Y295-D298 WeakPolarHBondContact O-CB 3.45Å; Y295-D298 PolarHBondContact O-N 2.63Å; L296-D298 PolarHBondContact O-N 2.6Å |
| 299 | Y | 88.5 | Confident | 89.7 | Confident | 199 Ų | 199 | 61.1 Ų | 61.1 | 78% | 0.78 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -51.1 | 173.8 | -63.5 | -80.6 | 0 | 0 | 0 | 111.7 | L296 S297 | L296-Y299 PolarHBondContact O-N 3.04Å; S297-Y299 PolarHBondContact O-N 3.4Å |
| 300 | A | 87.1 | Confident | 89.9 | Confident | 26 Ų | 26 | 58.8 Ų | 58.8 | 22% | 0.215 | 29% | 0.291 | C | S | . | . | trans | -158.6 | 137.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L296 S297 W302 I303 | L296-A300 PolarHBondContact O-N 2.92Å; S297-A300 CarbonylContact O-C 3.59Å; A300-W302 PolarHBondContact O-N 2.89Å; A300-W302 VanDerWaalsContact O-N 3.14Å; A300-I303 HydrophobicContact CB-CD1 3.74Å; A300-I303 HydrophobicContact CB-CG1 4.01Å; A300-I303 PolarHBondContact O-N 2.95Å; A300-I303 VanDerWaalsContact O-N 3.16Å | ||
| 301 | E | 86.2 | Confident | 90.1 | Very high | 106 Ų | 106 | 60.4 Ų | 60.4 | 50% | 0.495 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -26.1 | -173.2 | -62.7 | -174.3 | -177 | 0 | 0 | 114.1 | L232 Y305 | L232-E301 HydrophobicContact CD2-CB 4.23Å; E301-Y305 WeakPolarHBondContact O-CD2 3.3Å |
| 302 | W | 89.6 | Confident | 90.5 | Very high | 97 Ų | 97 | 57.8 Ų | 57.8 | 37% | 0.367 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -21.5 | -179.3 | 66.1 | -93.1 | 0 | 0 | 0 | 113.9 | A229 L232 Y233 A300 Y305 A306 | A229-W302 WeakPolarHBondContact O-CB 3.46Å; L232-W302 HydrophobicContact CB-CB 3.92Å; Y233-W302 AromaticContact CD2-CD1 3.95Å; Y233-W302 HydrophobicContact CD2-CD2 4.38Å; Y233-W302 HydrophobicContact CD2-CG 4.35Å; Y233-W302 AromaticContact CD2-NE1 3.76Å; A300-W302 PolarHBondContact O-N 2.89Å; A300-W302 VanDerWaalsContact O-N 3.14Å; W302-Y305 PolarHBondContact O-N 3.43Å; W302-A306 HydrophobicContact CE3-CB 3.85Å; W302-A306 HydrophobicContact CZ3-CB 3.85Å; W302-A306 PolarHBondContact O-N 3.4Å |
| 303 | I | 91.9 | Very high | 90.9 | Very high | 43 Ų | 43 | 57 Ų | 57 | 22% | 0.221 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.4 | -48 | -174 | -68.1 | 169.3 | 0 | 0 | 0 | 112.4 | L296 A300 Y305 A306 V307 | L296-I303 HydrophobicContact CB-CG2 3.97Å; L296-I303 HydrophobicContact CD2-CG2 4.24Å; A300-I303 HydrophobicContact CB-CD1 3.74Å; A300-I303 HydrophobicContact CB-CG1 4.01Å; A300-I303 PolarHBondContact O-N 2.95Å; A300-I303 VanDerWaalsContact O-N 3.16Å; I303-Y305 VanDerWaalsContact C-N 3.26Å; I303-Y305 PolarHBondContact O-N 2.84Å; I303-A306 PolarHBondContact O-N 2.86Å; I303-A306 VanDerWaalsContact O-N 3.16Å; I303-V307 HydrophobicContact CG2-CG2 4.42Å; I303-V307 WeakPolarHBondContact O-CG2 3.31Å; I303-V307 PolarHBondContact O-N 3.42Å |
| 304 | P | 92.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -51.1 | -45.3 | 175.7 | -30 | 36.2 | 0 | 0 | 0 | 112.9 | L293 F294 L296 V307 L308 | L293-P304 HydrophobicContact CD2-CB 4.2Å; L293-P304 HydrophobicContact CG-CB 4.02Å; F294-P304 HydrophobicContact CD1-CB 4.2Å; F294-P304 HydrophobicContact CD1-CG 4.23Å; F294-P304 HydrophobicContact CE1-CB 4.05Å; L296-P304 HydrophobicContact CB-CG 4.26Å; P304-V307 PolarHBondContact O-N 2.95Å; P304-L308 WeakPolarHBondContact O-CG 3.42Å; P304-L308 PolarHBondContact O-N 2.73Å |
| 305 | Y | 92.2 | Very high | 91.5 | Very high | 8 Ų | 8 | 61.4 Ų | 61.4 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -71.3 | -34.6 | -178 | -61.7 | -85 | 0 | 0 | 0 | 112.7 | L169 N172 L225 I228 L232 F294 E301 W302 I303 L308 F309 | L169-Y305 HydrophobicContact CD2-CD1 4.15Å; L169-Y305 HydrophobicContact CD2-CE1 3.7Å; N172-Y305 PolarHBondContact ND2-OH 3.22Å; L225-Y305 HydrophobicContact CD2-CD1 4.4Å; I228-Y305 HydrophobicContact CB-CD1 4.14Å; I228-Y305 HydrophobicContact CB-CE1 4.49Å; I228-Y305 HydrophobicContact CB-CG 4.48Å; I228-Y305 HydrophobicContact CD1-CD1 4.32Å; I228-Y305 HydrophobicContact CD1-CE1 4.32Å; I228-Y305 HydrophobicContact CG2-CD1 3.45Å; I228-Y305 VanDerWaalsContact CG2-CD1 3.45Å; I228-Y305 HydrophobicContact CG2-CD2 4.02Å; I228-Y305 HydrophobicContact CG2-CE1 3.52Å; I228-Y305 HydrophobicContact CG2-CE2 4.09Å; I228-Y305 HydrophobicContact CG2-CG 3.69Å; L232-Y305 HydrophobicContact CD1-CD2 3.35Å; L232-Y305 HydrophobicContact CD1-CE2 3.25Å; L232-Y305 HydrophobicContact CD1-CG 4.28Å; F294-Y305 HydrophobicContact CE1-CE2 4.46Å; E301-Y305 WeakPolarHBondContact O-CD2 3.3Å; W302-Y305 PolarHBondContact O-N 3.43Å; I303-Y305 VanDerWaalsContact C-N 3.26Å; I303-Y305 PolarHBondContact O-N 2.84Å; Y305-L308 PolarHBondContact O-N 2.9Å; Y305-F309 WeakPolarHBondContact O-CB 3.42Å; Y305-F309 PolarHBondContact O-N 2.86Å |
| 306 | A | 93.6 | Very high | 91.8 | Very high | 28 Ų | 28 | 56 Ų | 56 | 23% | 0.231 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | W302 I303 F309 S310 | W302-A306 HydrophobicContact CE3-CB 3.85Å; W302-A306 HydrophobicContact CZ3-CB 3.85Å; W302-A306 PolarHBondContact O-N 3.4Å; I303-A306 PolarHBondContact O-N 2.86Å; I303-A306 VanDerWaalsContact O-N 3.16Å; A306-F309 WeakPolarHBondContact O-CB 3.44Å; A306-F309 PolarHBondContact O-N 3.38Å; A306-S310 PolarHBondContact O-N 2.84Å; A306-S310 PolarHBondContact O-OG 3.37Å |
| 307 | V | 95.2 | Very high | 92.2 | Very high | 50 Ų | 50 | 56.9 Ų | 56.9 | 30% | 0.303 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 174.5 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | F164 L293 I303 P304 F309 S310 C311 | F164-V307 HydrophobicContact CE1-CG1 4.42Å; L293-V307 HydrophobicContact CD1-CB 3.89Å; L293-V307 HydrophobicContact CD1-CG1 3.72Å; L293-V307 HydrophobicContact CD1-CG2 4.37Å; I303-V307 HydrophobicContact CG2-CG2 4.42Å; I303-V307 WeakPolarHBondContact O-CG2 3.31Å; I303-V307 PolarHBondContact O-N 3.42Å; P304-V307 PolarHBondContact O-N 2.95Å; V307-F309 VanDerWaalsContact C-N 3.3Å; V307-F309 PolarHBondContact O-N 3.5Å; V307-S310 PolarHBondContact O-N 3.09Å; V307-C311 PolarHBondContact O-N 3.47Å; V307-C311 PolarHBondContact O-SG 3.5Å; V307-C311 VanDerWaalsContact O-SG 3.4Å |
| 308 | L | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.5 | -41.8 | 175.1 | -66.1 | -175.4 | 0 | 0 | 0 | 111.9 | F164 I165 L169 L225 L293 P304 Y305 C311 Q312 | F164-L308 HydrophobicContact CD1-CD2 3.7Å; F164-L308 HydrophobicContact CE1-CD2 3.68Å; I165-L308 HydrophobicContact CB-CD2 4.38Å; I165-L308 HydrophobicContact CG1-CB 4.25Å; I165-L308 HydrophobicContact CG1-CD2 3.89Å; L169-L308 HydrophobicContact CD2-CD1 4.01Å; L169-L308 HydrophobicContact CG-CD1 4.17Å; L225-L308 HydrophobicContact CD1-CB 3.97Å; L225-L308 HydrophobicContact CD2-CB 4.02Å; L225-L308 HydrophobicContact CD2-CD1 4.14Å; L293-L308 HydrophobicContact CD2-CD1 4.16Å; L293-L308 HydrophobicContact CD2-CD2 3.41Å; L293-L308 VanDerWaalsContact CD2-CD2 3.41Å; L293-L308 HydrophobicContact CD2-CG 3.63Å; P304-L308 WeakPolarHBondContact O-CG 3.42Å; P304-L308 PolarHBondContact O-N 2.73Å; Y305-L308 PolarHBondContact O-N 2.9Å; L308-C311 PolarHBondContact O-N 3.29Å; L308-Q312 WeakPolarHBondContact O-CB 3.42Å; L308-Q312 PolarHBondContact O-N 3.46Å |
| 309 | F | 95.6 | Very high | 92.7 | Very high | 50 Ų | 50 | 50.7 Ų | 50.7 | 22% | 0.219 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.5 | -47.9 | 175.7 | 175.5 | -91 | 0 | 0 | 0 | 111.3 | L222 L225 L226 Y305 A306 V307 C311 Q312 L313 | L222-F309 HydrophobicContact CB-CD2 4.41Å; L222-F309 HydrophobicContact CB-CE2 4.06Å; L222-F309 HydrophobicContact CD2-CD2 3.63Å; L222-F309 HydrophobicContact CD2-CE2 3.58Å; L222-F309 HydrophobicContact CD2-CG 4.26Å; L222-F309 HydrophobicContact CD2-CZ 4.17Å; L222-F309 HydrophobicContact CG-CE2 4.43Å; L222-F309 WeakPolarHBondContact O-CD2 3.41Å; L225-F309 HydrophobicContact CB-CB 4.21Å; L225-F309 HydrophobicContact CB-CD2 4.42Å; L226-F309 HydrophobicContact CB-CD2 3.97Å; L226-F309 HydrophobicContact CB-CE2 3.86Å; L226-F309 HydrophobicContact CD1-CE2 4.41Å; L226-F309 HydrophobicContact CG-CE2 4.49Å; Y305-F309 WeakPolarHBondContact O-CB 3.42Å; Y305-F309 PolarHBondContact O-N 2.86Å; A306-F309 WeakPolarHBondContact O-CB 3.44Å; A306-F309 PolarHBondContact O-N 3.38Å; V307-F309 VanDerWaalsContact C-N 3.3Å; V307-F309 PolarHBondContact O-N 3.5Å; F309-C311 VanDerWaalsContact C-N 3.35Å; F309-C311 PolarHBondContact O-N 3.35Å; F309-Q312 PolarHBondContact O-N 2.97Å; F309-L313 HydrophobicContact CE1-CD2 4.13Å; F309-L313 WeakPolarHBondContact O-CB 3.49Å; F309-L313 PolarHBondContact O-N 3.41Å |
| 310 | S | 95.8 | Very high | 92.6 | Very high | 74 Ų | 74 | 42.6 Ų | 42.6 | 52% | 0.517 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.2 | -42.3 | 176.9 | -60.2 | 0 | 0 | 0 | 0 | 112.3 | A306 V307 L313 Y314 | A306-S310 PolarHBondContact O-N 2.84Å; A306-S310 PolarHBondContact O-OG 3.37Å; V307-S310 PolarHBondContact O-N 3.09Å; S310-L313 PolarHBondContact O-N 3.25Å; S310-Y314 WeakPolarHBondContact O-CB 3.49Å; S310-Y314 PolarHBondContact O-N 3.33Å |
| 311 | C | 95.4 | Very high | 92.4 | Very high | 34 Ų | 34 | 47.4 Ų | 47.4 | 23% | 0.23 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.8 | -43.8 | 174.8 | -71.2 | 0 | 0 | 0 | 0 | 112.2 | V307 L308 F309 L313 Y314 D315 | V307-C311 PolarHBondContact O-N 3.47Å; V307-C311 PolarHBondContact O-SG 3.5Å; V307-C311 VanDerWaalsContact O-SG 3.4Å; L308-C311 PolarHBondContact O-N 3.29Å; F309-C311 VanDerWaalsContact C-N 3.35Å; F309-C311 PolarHBondContact O-N 3.35Å; C311-L313 VanDerWaalsContact C-N 3.33Å; C311-Y314 PolarHBondContact O-N 2.92Å; C311-D315 PolarHBondContact O-N 2.98Å |
| 312 | Q | 95.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68 | -34.4 | 178.9 | -171.8 | 55.9 | 65.3 | 0 | 0 | 112.1 | I165 M218 T221 L222 L225 L308 F309 D315 F316 | I165-Q312 HydrophobicContact CD1-CB 3.76Å; I165-Q312 HydrophobicContact CD1-CG 4.29Å; M218-Q312 VanDerWaalsContact CG-NE2 3.34Å; T221-Q312 HydrophobicContact CG2-CG 4.23Å; L222-Q312 HydrophobicContact CD2-CB 3.74Å; L222-Q312 HydrophobicContact CD2-CG 3.79Å; L222-Q312 HydrophobicContact CG-CB 4.29Å; L222-Q312 HydrophobicContact CG-CG 3.74Å; L225-Q312 HydrophobicContact CD1-CB 4.3Å; L308-Q312 WeakPolarHBondContact O-CB 3.42Å; L308-Q312 PolarHBondContact O-N 3.46Å; F309-Q312 PolarHBondContact O-N 2.97Å; Q312-D315 PolarHBondContact NE2-OD2 3.5Å; Q312-D315 PolarHBondContact O-N 3.14Å; Q312-F316 WeakPolarHBondContact O-CB 3.39Å; Q312-F316 PolarHBondContact O-N 3.38Å |
| 313 | L | 96 | Very high | 91.6 | Very high | 68 Ų | 68 | 43.2 Ų | 43.2 | 36% | 0.356 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69.4 | -43.4 | 178.5 | -178.4 | 61.6 | 0 | 0 | 0 | 110.5 | L222 F309 S310 C311 F316 I317 | L222-L313 HydrophobicContact CD1-CD1 4.29Å; L222-L313 HydrophobicContact CD2-CB 3.94Å; F309-L313 HydrophobicContact CE1-CD2 4.13Å; F309-L313 WeakPolarHBondContact O-CB 3.49Å; F309-L313 PolarHBondContact O-N 3.41Å; S310-L313 PolarHBondContact O-N 3.25Å; C311-L313 VanDerWaalsContact C-N 3.33Å; L313-F316 PolarHBondContact O-N 2.9Å; L313-I317 HydrophobicContact CD1-CD1 4.36Å; L313-I317 HydrophobicContact CG-CD1 4.15Å; L313-I317 WeakPolarHBondContact O-CG1 3.38Å; L313-I317 PolarHBondContact O-N 2.92Å |
| 314 | Y | 95.5 | Very high | 90.6 | Very high | 124 Ų | 124 | 43.9 Ų | 43.9 | 49% | 0.486 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57.3 | -49.6 | 172.6 | 171.5 | -102.3 | 0 | 0 | 0 | 111.7 | S310 C311 F316 I317 V318 | S310-Y314 WeakPolarHBondContact O-CB 3.49Å; S310-Y314 PolarHBondContact O-N 3.33Å; C311-Y314 PolarHBondContact O-N 2.92Å; Y314-F316 VanDerWaalsContact C-N 3.33Å; Y314-F316 PolarHBondContact O-N 3.3Å; Y314-I317 PolarHBondContact O-N 3.23Å; Y314-V318 HydrophobicContact CD2-CG2 4.09Å; Y314-V318 HydrophobicContact CE1-CG2 4.15Å; Y314-V318 HydrophobicContact CE2-CG2 3.65Å; Y314-V318 WeakPolarHBondContact O-CG2 3.3Å; Y314-V318 PolarHBondContact O-N 2.9Å |
| 315 | D | 94.1 | Very high | 89.7 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.9 | -42.8 | 176.9 | 178.6 | 33.1 | 0 | 0 | 0 | 111.9 | G158 C161 M218 K259 C311 Q312 I317 V318 L319 | G158-D315 WeakPolarHBondContact CA-OD1 3.34Å; C161-D315 HydrophobicContact CB-CB 4.22Å; M218-D315 VanDerWaalsContact CE-CG 3.5Å; M218-D315 WeakPolarHBondContact CE-OD2 3.31Å; K259-D315 IonicContact NZ-OD1 3.22Å; K259-D315 PolarHBondContact NZ-OD1 3.37Å; K259-D315 IonicContact NZ-OD2 3.34Å; K259-D315 PolarHBondContact NZ-OD2 2.96Å; C311-D315 PolarHBondContact O-N 2.98Å; Q312-D315 PolarHBondContact NE2-OD2 3.5Å; Q312-D315 PolarHBondContact O-N 3.14Å; D315-I317 PolarHBondContact O-N 3.35Å; D315-V318 PolarHBondContact O-N 2.84Å; D315-L319 WeakPolarHBondContact O-CB 3.35Å; D315-L319 PolarHBondContact O-N 3.05Å |
| 316 | F | 93.9 | Very high | 88.4 | Confident | 50 Ų | 50 | 47 Ų | 47 | 22% | 0.219 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.4 | -44.8 | 177 | 177 | -101.8 | 0 | 0 | 0 | 113 | Q215 M218 I219 L222 Q312 L313 Y314 S320 | Q215-F316 HydrophobicContact CB-CE2 4.25Å; Q215-F316 HydrophobicContact CG-CE2 4.21Å; M218-F316 HydrophobicContact CB-CB 4.5Å; M218-F316 HydrophobicContact CB-CD2 3.84Å; M218-F316 HydrophobicContact SD-CB 4.08Å; M218-F316 HydrophobicContact SD-CD2 3.99Å; I219-F316 HydrophobicContact CD1-CE2 3.99Å; I219-F316 HydrophobicContact CD1-CZ 4.14Å; I219-F316 HydrophobicContact CG1-CD2 4.41Å; I219-F316 HydrophobicContact CG1-CE2 3.77Å; I219-F316 HydrophobicContact CG1-CZ 4.12Å; L222-F316 HydrophobicContact CD1-CB 4.29Å; L222-F316 HydrophobicContact CD1-CG 4.4Å; Q312-F316 WeakPolarHBondContact O-CB 3.39Å; Q312-F316 PolarHBondContact O-N 3.38Å; L313-F316 PolarHBondContact O-N 2.9Å; Y314-F316 VanDerWaalsContact C-N 3.33Å; Y314-F316 PolarHBondContact O-N 3.3Å; F316-S320 WeakPolarHBondContact O-CB 3.45Å; F316-S320 PolarHBondContact O-N 3.2Å; F316-S320 PolarHBondContact O-OG 2.85Å |
| 317 | I | 92.9 | Very high | 86.6 | Confident | 86 Ų | 86 | 48.6 Ų | 48.6 | 44% | 0.441 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.3 | -51.2 | 179.5 | -66.9 | 165.3 | 0 | 0 | 0 | 110.1 | L313 Y314 D315 L319 S320 L321 | L313-I317 HydrophobicContact CD1-CD1 4.36Å; L313-I317 HydrophobicContact CG-CD1 4.15Å; L313-I317 WeakPolarHBondContact O-CG1 3.38Å; L313-I317 PolarHBondContact O-N 2.92Å; Y314-I317 PolarHBondContact O-N 3.23Å; D315-I317 PolarHBondContact O-N 3.35Å; I317-L319 PolarHBondContact O-N 3.2Å; I317-S320 PolarHBondContact O-N 2.9Å; I317-L321 HydrophobicContact CG2-CD1 3.86Å; I317-L321 VanDerWaalsContact O-CG 3.31Å; I317-L321 WeakPolarHBondContact O-CG 3.21Å; I317-L321 PolarHBondContact O-N 3.27Å; I317-L321 VanDerWaalsContact O-N 3.12Å |
| 318 | V | 91.3 | Very high | 84.7 | Confident | 19 Ų | 19 | 49.6 Ų | 49.6 | 12% | 0.115 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.5 | -45.4 | -178 | 178.1 | 0 | 0 | 0 | 0 | 110.6 | T154 Y314 D315 S320 L321 F322 | T154-V318 HydrophobicContact CG2-CG1 3.88Å; T154-V318 WeakPolarHBondContact OG1-CG1 3.22Å; Y314-V318 HydrophobicContact CD2-CG2 4.09Å; Y314-V318 HydrophobicContact CE1-CG2 4.15Å; Y314-V318 HydrophobicContact CE2-CG2 3.65Å; Y314-V318 WeakPolarHBondContact O-CG2 3.3Å; Y314-V318 PolarHBondContact O-N 2.9Å; D315-V318 PolarHBondContact O-N 2.84Å; V318-S320 PolarHBondContact O-N 2.92Å; V318-L321 PolarHBondContact O-N 2.94Å; V318-F322 HydrophobicContact CG1-CD2 3.83Å; V318-F322 HydrophobicContact CG1-CE2 4.37Å; V318-F322 VanDerWaalsContact O-CD2 3.31Å; V318-F322 WeakPolarHBondContact O-CD2 3.23Å; V318-F322 PolarHBondContact O-N 3.16Å |
| 319 | L | 88.8 | Confident | 83.1 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 179.4 | -172.5 | 129.6 | 0 | 0 | 0 | 112.2 | T154 N214 Q215 M218 D315 I317 L321 L323 | T154-L319 HydrophobicContact CG2-CB 4.31Å; N214-L319 WeakPolarHBondContact ND2-CD1 3.41Å; N214-L319 WeakPolarHBondContact ND2-CD2 3.03Å; Q215-L319 HydrophobicContact CG-CD2 4.35Å; M218-L319 HydrophobicContact CE-CB 4.27Å; M218-L319 HydrophobicContact CE-CD1 3.83Å; M218-L319 HydrophobicContact CE-CD2 4.41Å; M218-L319 HydrophobicContact CE-CG 4.37Å; M218-L319 HydrophobicContact SD-CB 4.5Å; M218-L319 HydrophobicContact SD-CD2 4.38Å; D315-L319 WeakPolarHBondContact O-CB 3.35Å; D315-L319 PolarHBondContact O-N 3.05Å; I317-L319 PolarHBondContact O-N 3.2Å; L319-L321 VanDerWaalsContact C-N 3.31Å; L319-L321 PolarHBondContact O-N 3.49Å; L319-L323 HydrophobicContact CB-CD1 4.47Å; L319-L323 HydrophobicContact CD1-CD1 3.48Å; L319-L323 VanDerWaalsContact CD1-CD1 3.48Å; L319-L323 HydrophobicContact CG-CB 4.35Å; L319-L323 HydrophobicContact CG-CD1 3.6Å; L319-L323 WeakPolarHBondContact O-CB 3.5Å; L319-L323 PolarHBondContact O-N 3.4Å; L319-L323 VanDerWaalsContact O-N 3.13Å |
| 320 | S | 85.9 | Confident | 81.1 | Confident | 30 Ų | 30 | 56.9 Ų | 56.9 | 21% | 0.21 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65 | -36.6 | -178.9 | -64.8 | 0 | 0 | 0 | 0 | 112.3 | K211 Q215 F316 I317 V318 | K211-S320 PolarHBondContact NZ-O 3.17Å; Q215-S320 PolarHBondContact NE2-OG 3.31Å; F316-S320 WeakPolarHBondContact O-CB 3.45Å; F316-S320 PolarHBondContact O-N 3.2Å; F316-S320 PolarHBondContact O-OG 2.85Å; I317-S320 PolarHBondContact O-N 2.9Å; V318-S320 PolarHBondContact O-N 2.92Å |
| 321 | L | 83.8 | Confident | 79.1 | Confident | 127 Ų | 127 | 54.2 Ų | 54.2 | 67% | 0.665 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -77 | -45.2 | 179.6 | -68.5 | 172.7 | 0 | 0 | 0 | 113.4 | I317 V318 L319 | I317-L321 HydrophobicContact CG2-CD1 3.86Å; I317-L321 VanDerWaalsContact O-CG 3.31Å; I317-L321 WeakPolarHBondContact O-CG 3.21Å; I317-L321 PolarHBondContact O-N 3.27Å; I317-L321 VanDerWaalsContact O-N 3.12Å; V318-L321 PolarHBondContact O-N 2.94Å; L319-L321 VanDerWaalsContact C-N 3.31Å; L319-L321 PolarHBondContact O-N 3.49Å |
| 322 | F | 80.1 | Confident | 77.3 | Confident | 112 Ų | 112 | 58.8 Ų | 58.8 | 49% | 0.491 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -99.2 | -17.7 | -166.8 | -69.9 | -75 | 0 | 0 | 0 | 115.1 | A150 T154 V318 | A150-F322 HydrophobicContact CB-CD1 3.86Å; A150-F322 HydrophobicContact CB-CE1 4.38Å; T154-F322 WeakPolarHBondContact OG1-CB 3.48Å; V318-F322 HydrophobicContact CG1-CD2 3.83Å; V318-F322 HydrophobicContact CG1-CE2 4.37Å; V318-F322 VanDerWaalsContact O-CD2 3.31Å; V318-F322 WeakPolarHBondContact O-CD2 3.23Å; V318-F322 PolarHBondContact O-N 3.16Å |
| 323 | L | 78.1 | Confident | 75.2 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.016 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -103.2 | 124.9 | -176.9 | -78.8 | 163.8 | 0 | 0 | 0 | 112.9 | Q151 T154 F155 K211 M262 L266 L319 | Q151-L323 HydrophobicContact CG-CD2 4.29Å; T154-L323 HydrophobicContact CG2-CD1 3.51Å; T154-L323 HydrophobicContact CG2-CG 4.03Å; F155-L323 HydrophobicContact CD1-CD1 4.27Å; F155-L323 HydrophobicContact CE1-CD1 3.73Å; F155-L323 HydrophobicContact CE1-CD2 4.18Å; F155-L323 HydrophobicContact CE2-CD1 4.45Å; F155-L323 HydrophobicContact CE2-CD2 3.63Å; F155-L323 HydrophobicContact CZ-CD1 3.84Å; F155-L323 HydrophobicContact CZ-CD2 3.41Å; F155-L323 VanDerWaalsContact CZ-CD2 3.41Å; F155-L323 HydrophobicContact CZ-CG 4.31Å; K211-L323 WeakPolarHBondContact CD-O 3.43Å; K211-L323 VanDerWaalsContact CE-O 3.25Å; K211-L323 WeakPolarHBondContact CE-O 3.35Å; K211-L323 PolarHBondContact NZ-O 3Å; M262-L323 HydrophobicContact CE-CB 4.05Å; M262-L323 HydrophobicContact CE-CD1 4.03Å; M262-L323 HydrophobicContact CE-CD2 4.18Å; M262-L323 HydrophobicContact CE-CG 4.32Å; L266-L323 HydrophobicContact CD2-CD2 3.81Å; L319-L323 HydrophobicContact CB-CD1 4.47Å; L319-L323 HydrophobicContact CD1-CD1 3.48Å; L319-L323 VanDerWaalsContact CD1-CD1 3.48Å; L319-L323 HydrophobicContact CG-CB 4.35Å; L319-L323 HydrophobicContact CG-CD1 3.6Å; L319-L323 WeakPolarHBondContact O-CB 3.5Å; L319-L323 PolarHBondContact O-N 3.4Å; L319-L323 VanDerWaalsContact O-N 3.13Å |
| 324 | P | 72.3 | Confident | 73.4 | Confident | 56 Ų | 56 | 66.7 Ų | 66.7 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 166.8 | 169.8 | 33.1 | -33.9 | 0 | 0 | 0 | 111.7 | ||
| 325 | E | 72.3 | Confident | 71.6 | Confident | 74 Ų | 74 | 61.4 Ų | 61.4 | 35% | 0.346 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 140.2 | 169.1 | -175.5 | 53.7 | -101.7 | 0 | 0 | 110.3 | G209 R210 K211 K327 | G209-E325 WeakPolarHBondContact CA-OE1 3.44Å; G209-E325 WeakPolarHBondContact CA-OE2 3.43Å; R210-E325 PolarHBondContact N-OE1 3.42Å; K211-E325 VanDerWaalsContact CB-OE2 3.24Å; K211-E325 WeakPolarHBondContact CB-OE2 3.48Å; K211-E325 PolarHBondContact N-OE1 3.17Å; K211-E325 PolarHBondContact N-OE2 3.42Å; E325-K327 PolarHBondContact OE1-N 3Å |
| 326 | T | 65.8 | Low | 69.9 | Low | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.006 | 34% | 0.338 | C | S | . | . | trans | -118.9 | -13.6 | -171.7 | 44.1 | 0 | 0 | 0 | 0 | 113.5 | R210 M262 L266 G328 V329 | R210-T326 VanDerWaalsContact CB-OG1 3.31Å; R210-T326 WeakPolarHBondContact CB-OG1 2.99Å; M262-T326 HydrophobicContact CE-CG2 4.45Å; L266-T326 HydrophobicContact CD1-CG2 4.16Å; T326-G328 PolarHBondContact O-N 3.48Å; T326-G328 VanDerWaalsContact O-N 3.15Å; T326-V329 WeakPolarHBondContact O-CG2 3.47Å; T326-V329 PolarHBondContact O-N 3.22Å | ||
| 327 | K | 56.5 | Low | 68.3 | Low | 60 Ų | 60 | 63.2 Ų | 63.2 | 26% | 0.261 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 121.2 | 178 | -173.6 | 166 | 178.3 | 160.1 | 0 | 110.7 | D202 L205 P206 F208 R210 E325 | D202-K327 PolarHBondContact O-NZ 3.41Å; D202-K327 IonicContact OD1-NZ 3.74Å; D202-K327 PolarHBondContact OD1-NZ 3.1Å; L205-K327 PolarHBondContact O-NZ 3.44Å; P206-K327 WeakPolarHBondContact O-CE 3.24Å; F208-K327 WeakPolarHBondContact O-CD 3.29Å; F208-K327 PolarHBondContact O-NZ 3.03Å; R210-K327 HydrophobicContact CG-CB 4.3Å; E325-K327 PolarHBondContact OE1-N 3Å |
| 328 | G | 54.4 | Low | 66.6 | Low | 72 Ų | 72 | 66.1 Ų | 66.1 | 74% | 0.742 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.7 | 2.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | T326 | T326-G328 PolarHBondContact O-N 3.48Å; T326-G328 VanDerWaalsContact O-N 3.15Å |
| 329 | V | 61 | Low | 64.9 | Low | 77 Ų | 77 | 72 Ų | 72 | 47% | 0.467 | 38% | 0.382 | S | S | . | . | trans | -70.8 | 132.2 | 177.4 | -179.8 | 0 | 0 | 0 | 0 | 110.5 | T326 L331 | T326-V329 WeakPolarHBondContact O-CG2 3.47Å; T326-V329 PolarHBondContact O-N 3.22Å; V329-L331 PolarHBondContact O-N 3.34Å | ||
| 330 | I | 53.5 | Low | 63.5 | Low | 126 Ų | 126 | 78.1 Ų | 78.1 | 65% | 0.646 | 41% | 0.409 | S | S | * | . | trans | -70.5 | 129.1 | 177.5 | -57.5 | 171.6 | 0 | 0 | 0 | 108.8 | E332 | I330-E332 PolarHBondContact O-N 3.04Å; I330-E332 VanDerWaalsContact O-N 3.12Å | ||
| 331 | L | 54.3 | Low | 62.4 | Low | 18 Ų | 18 | 79 Ų | 79 | 9% | 0.094 | 41% | 0.407 | C | S | . | . | trans | -60.3 | 113.3 | 176.6 | -62.2 | 164.2 | 0 | 0 | 0 | 110.2 | N264 V329 N333 | N264-L331 WeakPolarHBondContact O-CD2 3.38Å; V329-L331 PolarHBondContact O-N 3.34Å; L331-N333 PolarHBondContact O-N 3.44Å | ||
| 332 | E | 57.3 | Low | 61.2 | Low | 130 Ų | 130 | 76.5 Ų | 76.5 | 61% | 0.607 | 39% | 0.394 | S | S | * | . | trans | -70.4 | 124.3 | 172.2 | -70.7 | -172.9 | 176.5 | 0 | 0 | 109.8 | P268 T269 I330 H334 | P268-E332 WeakPolarHBondContact CA-O 3.2Å; P268-E332 HydrophobicContact CB-CB 4.45Å; P268-E332 VanDerWaalsContact CB-O 3.27Å; P268-E332 WeakPolarHBondContact CB-O 3.28Å; T269-E332 PolarHBondContact N-O 2.96Å; I330-E332 PolarHBondContact O-N 3.04Å; I330-E332 VanDerWaalsContact O-N 3.12Å; E332-H334 VanDerWaalsContact C-N 3.31Å | ||
| 333 | N | 51.3 | Low | 60 | Low | 104 Ų | 104 | 78.2 Ų | 78.2 | 56% | 0.556 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -80.7 | -14.1 | 179.3 | -71.9 | -36.6 | 0 | 0 | 0 | 113 | L331 | L331-N333 PolarHBondContact O-N 3.44Š|
| 334 | H | 57.5 | Low | 58.6 | Low | 129 Ų | 129 | 79 Ų | 79 | 60% | 0.597 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -129 | 143.6 | -171.1 | -56.5 | -48.1 | 0 | 0 | 0 | 110.9 | E332 | E332-H334 VanDerWaalsContact C-N 3.31Š|
| 335 | L | 58.2 | Low | 57.1 | Low | 13 Ų | 13 | 85.7 Ų | 85.7 | 7% | 0.068 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 152.9 | 171.7 | -80.5 | 163.8 | 0 | 0 | 0 | 110.8 | Y137 M148 P268 V271 | Y137-L335 HydrophobicContact CD1-CD1 3.64Å; Y137-L335 HydrophobicContact CE1-CD1 3.22Å; M148-L335 HydrophobicContact CE-CD2 4.11Å; M148-L335 HydrophobicContact SD-CD2 4.5Å; P268-L335 HydrophobicContact CG-CD2 3.84Å; P268-L335 HydrophobicContact CG-CG 4.26Å; V271-L335 HydrophobicContact CG1-CD1 4.04Å; V271-L335 HydrophobicContact CG1-CD2 3.87Å; V271-L335 HydrophobicContact CG1-CG 4.2Å; V271-L335 HydrophobicContact CG2-CD2 3.96Å |
| 336 | P | 59.7 | Low | 55.6 | Low | 27 Ų | 27 | 94.2 Ų | 94.2 | 18% | 0.175 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -53.2 | 145.6 | 177.2 | 18.2 | -29.8 | 0 | 0 | 0 | 111.6 | M148 R341 | M148-P336 HydrophobicContact SD-CG 4.1Å; P336-R341 VanDerWaalsContact O-CZ 3.28Å; P336-R341 PolarHBondContact O-NE 2.91Å; P336-R341 PolarHBondContact O-NH2 3.4Å |
| 337 | P | 59.9 | Low | 54.2 | Low | 63 Ų | 63 | 102.7 Ų | 102.7 | 41% | 0.409 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 151.6 | -175.4 | 22.4 | -32.7 | 0 | 0 | 0 | 111.6 | H339 K340 | P337-H339 WeakPolarHBondContact CG-CE1 3.22Å; P337-H339 PolarHBondContact O-N 3.48Å; P337-K340 HydrophobicContact CG-CD 4.36Å; P337-K340 HydrophobicContact CG-CG 4.34Å; P337-K340 PolarHBondContact O-N 2.93Å |
| 338 | K | 56.9 | Low | 54.1 | Low | 147 Ų | 147 | 104.8 Ų | 104.8 | 64% | 0.639 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -53.5 | -34.1 | -170.1 | -73.8 | -174.9 | 177.2 | -178.1 | 0 | 113.7 | K340 R341 | K338-K340 PolarHBondContact O-N 3.27Å; K338-R341 PolarHBondContact O-N 3.43Å; K338-R341 VanDerWaalsContact O-N 3.12Å |
| 339 | H | 55.2 | Low | 54.1 | Low | 142 Ų | 142 | 106.5 Ų | 106.5 | 66% | 0.657 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -66.4 | -18.8 | 178.9 | 68.2 | -97.1 | 0 | 0 | 0 | 114.3 | P337 | P337-H339 WeakPolarHBondContact CG-CE1 3.22Å; P337-H339 PolarHBondContact O-N 3.48Å |
| 340 | K | 59.6 | Low | 53.7 | Low | 130 Ų | 130 | 108.2 Ų | 108.2 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -95.2 | 0.1 | 175.1 | -60.8 | -168.1 | 178 | -179.7 | 0 | 113.4 | T145 P337 K338 | T145-K340 PolarHBondContact OG1-O 3.36Å; P337-K340 HydrophobicContact CG-CD 4.36Å; P337-K340 HydrophobicContact CG-CG 4.34Å; P337-K340 PolarHBondContact O-N 2.93Å; K338-K340 PolarHBondContact O-N 3.27Å |
| 341 | R | 63.2 | Low | 53.7 | Low | 48 Ų | 48 | 107.1 Ų | 107.1 | 18% | 0.181 | 52% | 0.52 | C | S | . | . | S | Bend | trans | -94.4 | 133.4 | 179.2 | -57.5 | -174 | -166.6 | -177.5 | 5 | 109.3 | C144 P336 K338 F343 G344 | C144-R341 HydrophobicContact CB-CB 4.41Å; C144-R341 HydrophobicContact CB-CG 4.16Å; C144-R341 CarbonylContact O-C 3.56Å; C144-R341 VanDerWaalsContact O-CA 3.32Å; C144-R341 WeakPolarHBondContact O-CA 3.44Å; P336-R341 VanDerWaalsContact O-CZ 3.28Å; P336-R341 PolarHBondContact O-NE 2.91Å; P336-R341 PolarHBondContact O-NH2 3.4Å; K338-R341 PolarHBondContact O-N 3.43Å; K338-R341 VanDerWaalsContact O-N 3.12Å; R341-F343 PolarHBondContact O-N 3.08Å; R341-G344 PolarHBondContact O-N 3.37Å |
| 342 | I | 59.1 | Low | 53.7 | Low | 75 Ų | 75 | 112.7 Ų | 112.7 | 39% | 0.385 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -37.9 | 175.6 | -61.6 | 165.9 | 0 | 0 | 0 | 110.2 | C144 W146 I149 | C144-I342 PolarHBondContact O-N 3.43Å; W146-I342 HydrophobicContact CD2-CD1 3.87Å; W146-I342 HydrophobicContact CG-CD1 3.89Å; W146-I342 HydrophobicContact CZ2-CD1 4.45Å; I149-I342 HydrophobicContact CD1-CD1 3.72Å |
| 343 | F | 54.4 | Low | 53.5 | Low | 147 Ų | 147 | 111.5 Ų | 111.5 | 65% | 0.645 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 8.9 | 177 | -58.7 | -73.7 | 0 | 0 | 0 | 114.2 | R341 K345 | R341-F343 PolarHBondContact O-N 3.08Å; F343-K345 PolarHBondContact O-N 3.35Å |
| 344 | G | 47.9 | Very low | 53.6 | Low | 20 Ų | 20 | 112.1 Ų | 112.1 | 21% | 0.206 | 54% | 0.542 | C | S | . | . | trans | -77.9 | 104.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | R341 R346 | R341-G344 PolarHBondContact O-N 3.37Å; G344-R346 PolarHBondContact O-N 3.15Å | ||
| 345 | K | 40.9 | Very low | 53.3 | Low | 196 Ų | 196 | 110.8 Ų | 110.8 | 85% | 0.852 | 54% | 0.537 | S | S | * | . | trans | -48.7 | 119.1 | 165.3 | -84.2 | -171.6 | 174.5 | -174.6 | 0 | 107.9 | F343 S347 | F343-K345 PolarHBondContact O-N 3.35Å; K345-S347 VanDerWaalsContact C-N 3.35Å; K345-S347 PolarHBondContact O-N 3.32Å | ||
| 346 | R | 40 | Very low | 52.9 | Low | 254 Ų | 254 | 118.9 Ų | 118.9 | 96% | 0.958 | 58% | 0.577 | S | S | * | * | trans | -61 | 103.4 | 161.5 | -78 | -178.1 | 177.2 | 177.2 | -1.3 | 105.3 | G344 | G344-R346 PolarHBondContact O-N 3.15Š| ||
| 347 | S | 38.2 | Very low | 52.3 | Low | 178 Ų | 178 | 127.3 Ų | 127.3 | 100% | 1.245 | 61% | 0.613 | S | S | * | * | trans | -129.9 | 0 | 168.5 | 167.4 | 0 | 0 | 0 | 0 | 107.3 | K345 | K345-S347 VanDerWaalsContact C-N 3.35Å; K345-S347 PolarHBondContact O-N 3.32Å |
Retrieved 347 of 347 residues in 72.4 ms
(Link to these results)