| 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 | 62 | Low | 83 | Confident | 142 Ų | 142 | 95.8 Ų | 95.8 | 70% | 0.7 | 45% | 0.452 | S | S | * | . | 0 | -29.4 | 0 | -60.2 | -169.9 | -154.9 | 0 | 0 | 113 | V16 V20 | M1-V16 HydrophobicContact SD-CG1 4.18Å; M1-V20 HydrophobicContact CE-CG2 4.29Å | |||
| 2 | M | 70.6 | Confident | 83.7 | Confident | 113 Ų | 113 | 87.8 Ų | 87.8 | 56% | 0.557 | 42% | 0.415 | S | S | * | . | trans | -69.7 | -32.5 | 177.1 | -64.2 | 174.2 | 68.1 | 0 | 0 | 114 | ||||
| 3 | W | 75.7 | Confident | 84.5 | Confident | 54 Ų | 54 | 86.6 Ų | 86.6 | 21% | 0.205 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -63.8 | -43.6 | -178.2 | 175.1 | 52 | 0 | 0 | 0 | 114.2 | I119 L122 A123 I143 | W3-I119 HydrophobicContact CE3-CG2 4.24Å; W3-L122 HydrophobicContact CD2-CB 4.41Å; W3-L122 HydrophobicContact CE3-CB 4.39Å; W3-L122 HydrophobicContact CH2-CB 3.42Å; W3-L122 VanDerWaalsContact CH2-CB 3.42Å; W3-L122 HydrophobicContact CH2-CD1 3.51Å; W3-L122 HydrophobicContact CH2-CG 4.07Å; W3-L122 HydrophobicContact CZ2-CB 3.4Å; W3-L122 VanDerWaalsContact CZ2-CB 3.4Å; W3-L122 HydrophobicContact CZ2-CD1 4.25Å; W3-L122 HydrophobicContact CZ2-CG 4.36Å; W3-L122 HydrophobicContact CZ3-CB 3.92Å; W3-L122 HydrophobicContact CZ3-CD1 4.03Å; W3-A123 HydrophobicContact CB-CB 3.68Å; W3-A123 VanDerWaalsContact CD1-CA 3.5Å; W3-A123 HydrophobicContact CD2-CB 4.11Å; W3-A123 HydrophobicContact CG-CB 3.55Å; W3-I143 HydrophobicContact CB-CD1 3.52Å; W3-I143 HydrophobicContact CB-CG1 4.27Å; W3-I143 HydrophobicContact CG-CD1 3.87Å |
| 4 | W | 81.3 | Confident | 85.2 | Confident | 79 Ų | 79 | 86.1 Ų | 86.1 | 30% | 0.299 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -131.6 | 81.9 | 179.3 | -163 | 24 | 0 | 0 | 0 | 109.1 | W11 A12 N15 | W4-W11 HydrophobicContact CH2-CB 3.53Å; W4-W11 HydrophobicContact CZ2-CB 3.56Å; W4-A12 HydrophobicContact CD2-CB 3.74Å; W4-A12 HydrophobicContact CG-CB 3.72Å; W4-A12 HydrophobicContact CZ2-CB 4.36Å; W4-N15 HydrophobicContact CE3-CB 3.93Å; W4-N15 HydrophobicContact CZ3-CB 3.8Å |
| 5 | P | 83.4 | Confident | 85.8 | Confident | 13 Ų | 13 | 82.3 Ų | 82.3 | 8% | 0.084 | 40% | 0.395 | C | S | . | . | trans | -61.6 | 137.7 | -174.9 | -21.3 | 30.8 | 0 | 0 | 0 | 112.2 | Q7 E8 A12 | P5-Q7 VanDerWaalsContact CB-CD 3.44Å; P5-Q7 HydrophobicContact CB-CG 4.36Å; P5-Q7 PolarHBondContact O-N 2.97Å; P5-Q7 VanDerWaalsContact O-N 3.07Å; P5-E8 HydrophobicContact CB-CG 4.24Å; P5-E8 WeakPolarHBondContact CD-OE1 3.4Å; P5-E8 HydrophobicContact CG-CG 4.35Å; P5-E8 PolarHBondContact O-N 3.17Å; P5-A12 WeakPolarHBondContact O-CB 3.07Å | ||
| 6 | P | 87.5 | Confident | 86.2 | Confident | 46 Ų | 46 | 78.5 Ų | 78.5 | 30% | 0.299 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.7 | -174.6 | 25.5 | -34.8 | 0 | 0 | 0 | 113.8 | E8 L13 V16 | P6-E8 VanDerWaalsContact C-N 3.34Å; P6-L13 HydrophobicContact CB-CB 4.23Å; P6-L13 HydrophobicContact CB-CD1 3.92Å; P6-V16 HydrophobicContact CB-CG2 4.42Å |
| 7 | Q | 88.1 | Confident | 86.8 | Confident | 156 Ų | 156 | 79.8 Ų | 79.8 | 73% | 0.729 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -15.2 | 177.5 | 65.2 | -88.1 | 14.3 | 0 | 0 | 114.7 | P5 | P5-Q7 VanDerWaalsContact CB-CD 3.44Å; P5-Q7 HydrophobicContact CB-CG 4.36Å; P5-Q7 PolarHBondContact O-N 2.97Å; P5-Q7 VanDerWaalsContact O-N 3.07Å |
| 8 | E | 85.8 | Confident | 87.3 | Confident | 111 Ų | 111 | 80.9 Ų | 80.9 | 52% | 0.519 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -31.8 | -175.5 | -69.3 | -175.8 | 178.4 | 0 | 0 | 113.2 | P5 P6 | P5-E8 HydrophobicContact CB-CG 4.24Å; P5-E8 WeakPolarHBondContact CD-OE1 3.4Å; P5-E8 HydrophobicContact CG-CG 4.35Å; P5-E8 PolarHBondContact O-N 3.17Å; P6-E8 VanDerWaalsContact C-N 3.34Å |
| 9 | S | 91.7 | Very high | 87.7 | Confident | 39 Ų | 39 | 79.4 Ų | 79.4 | 27% | 0.273 | 39% | 0.386 | S | S | . | . | trans | -161.6 | 158.3 | 179.4 | 67.6 | 0 | 0 | 0 | 0 | 112.1 | W11 A12 L13 | S9-W11 PolarHBondContact O-N 2.7Å; S9-A12 WeakPolarHBondContact O-CB 3.46Å; S9-A12 PolarHBondContact O-N 3.14Å; S9-A12 VanDerWaalsContact O-N 3.14Å; S9-A12 WeakPolarHBondContact OG-CB 3.4Å; S9-A12 PolarHBondContact OG-N 3.35Å; S9-L13 PolarHBondContact O-N 3.32Å; S9-L13 VanDerWaalsContact O-N 3.12Å | ||
| 10 | L | 94.1 | Very high | 88.1 | Confident | 118 Ų | 118 | 78.4 Ų | 78.4 | 62% | 0.618 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -55.5 | -37.4 | 170.9 | 179.1 | 62 | 0 | 0 | 0 | 111.7 | L13 L14 | L10-L13 PolarHBondContact O-N 3.38Å; L10-L14 HydrophobicContact CD1-CG 4.34Å; L10-L14 HydrophobicContact CG-CD1 4.13Å; L10-L14 HydrophobicContact CG-CG 4.39Å; L10-L14 WeakPolarHBondContact O-CB 3.33Å; L10-L14 VanDerWaalsContact O-CG 3.28Å; L10-L14 WeakPolarHBondContact O-CG 3.22Å; L10-L14 PolarHBondContact O-N 3.15Å |
| 11 | W | 92.8 | Very high | 88.5 | Confident | 183 Ų | 183 | 76 Ų | 76 | 69% | 0.693 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -66.7 | -38.1 | 178.4 | -64.7 | 112.6 | 0 | 0 | 0 | 112.9 | W4 S9 L14 N15 | W4-W11 HydrophobicContact CH2-CB 3.53Å; W4-W11 HydrophobicContact CZ2-CB 3.56Å; S9-W11 PolarHBondContact O-N 2.7Å; W11-L14 HydrophobicContact CE3-CD1 4.13Å; W11-L14 HydrophobicContact CZ3-CD1 4.33Å; W11-L14 PolarHBondContact O-N 3.24Å; W11-N15 WeakPolarHBondContact O-CB 3.1Å; W11-N15 PolarHBondContact O-N 2.95Å |
| 12 | A | 91.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111 | W4 P5 S9 N15 V16 | W4-A12 HydrophobicContact CD2-CB 3.74Å; W4-A12 HydrophobicContact CG-CB 3.72Å; W4-A12 HydrophobicContact CZ2-CB 4.36Å; P5-A12 WeakPolarHBondContact O-CB 3.07Å; S9-A12 WeakPolarHBondContact O-CB 3.46Å; S9-A12 PolarHBondContact O-N 3.14Å; S9-A12 VanDerWaalsContact O-N 3.14Å; S9-A12 WeakPolarHBondContact OG-CB 3.4Å; S9-A12 PolarHBondContact OG-N 3.35Å; A12-N15 PolarHBondContact O-N 2.62Å; A12-V16 WeakPolarHBondContact O-CG2 3.29Å; A12-V16 PolarHBondContact O-N 3.25Å |
| 13 | L | 93.8 | Very high | 91.5 | Very high | 72 Ų | 72 | 67 Ų | 67 | 38% | 0.377 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59 | -49.2 | 175.2 | 178.1 | 63 | 0 | 0 | 0 | 111.4 | P6 S9 L10 N15 V16 L17 | P6-L13 HydrophobicContact CB-CB 4.23Å; P6-L13 HydrophobicContact CB-CD1 3.92Å; S9-L13 PolarHBondContact O-N 3.32Å; S9-L13 VanDerWaalsContact O-N 3.12Å; L10-L13 PolarHBondContact O-N 3.38Å; L13-N15 VanDerWaalsContact C-N 3.31Å; L13-N15 PolarHBondContact O-N 3.06Å; L13-V16 PolarHBondContact O-N 3.48Å; L13-L17 HydrophobicContact CD1-CD1 4.18Å; L13-L17 HydrophobicContact CD1-CG 4.2Å; L13-L17 HydrophobicContact CG-CD1 3.99Å; L13-L17 HydrophobicContact CG-CG 4.41Å; L13-L17 WeakPolarHBondContact O-CB 3.42Å; L13-L17 VanDerWaalsContact O-CG 3.3Å; L13-L17 WeakPolarHBondContact O-CG 3.21Å; L13-L17 PolarHBondContact O-N 2.97Å |
| 14 | L | 95.1 | Very high | 92.6 | Very high | 79 Ų | 79 | 69.6 Ų | 69.6 | 41% | 0.414 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.6 | -38.8 | 178.3 | -71.4 | 175.1 | 0 | 0 | 0 | 112.3 | L10 W11 L17 L18 | L10-L14 HydrophobicContact CD1-CG 4.34Å; L10-L14 HydrophobicContact CG-CD1 4.13Å; L10-L14 HydrophobicContact CG-CG 4.39Å; L10-L14 WeakPolarHBondContact O-CB 3.33Å; L10-L14 VanDerWaalsContact O-CG 3.28Å; L10-L14 WeakPolarHBondContact O-CG 3.22Å; L10-L14 PolarHBondContact O-N 3.15Å; W11-L14 HydrophobicContact CE3-CD1 4.13Å; W11-L14 HydrophobicContact CZ3-CD1 4.33Å; W11-L14 PolarHBondContact O-N 3.24Å; L14-L17 PolarHBondContact O-N 3.02Å; L14-L18 VanDerWaalsContact O-CB 3.26Å; L14-L18 WeakPolarHBondContact O-CB 3.22Å; L14-L18 PolarHBondContact O-N 2.77Å |
| 15 | N | 93.6 | Very high | 93.4 | Very high | 30 Ų | 30 | 69 Ų | 69 | 16% | 0.16 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 176.6 | 178.8 | 67.5 | 0 | 0 | 0 | 112.2 | W4 W11 A12 L13 L18 F19 H115 | W4-N15 HydrophobicContact CE3-CB 3.93Å; W4-N15 HydrophobicContact CZ3-CB 3.8Å; W11-N15 WeakPolarHBondContact O-CB 3.1Å; W11-N15 PolarHBondContact O-N 2.95Å; A12-N15 PolarHBondContact O-N 2.62Å; L13-N15 VanDerWaalsContact C-N 3.31Å; L13-N15 PolarHBondContact O-N 3.06Å; N15-L18 PolarHBondContact O-N 2.85Å; N15-F19 WeakPolarHBondContact O-CB 3.26Å; N15-F19 PolarHBondContact O-N 3.4Å; N15-H115 PolarHBondContact OD1-NE2 3.41Å |
| 16 | V | 92.9 | Very high | 94.1 | Very high | 21 Ų | 21 | 69.5 Ų | 69.5 | 13% | 0.127 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 175.3 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | M1 P6 A12 L13 L18 F19 V20 | M1-V16 HydrophobicContact SD-CG1 4.18Å; P6-V16 HydrophobicContact CB-CG2 4.42Å; A12-V16 WeakPolarHBondContact O-CG2 3.29Å; A12-V16 PolarHBondContact O-N 3.25Å; L13-V16 PolarHBondContact O-N 3.48Å; V16-L18 VanDerWaalsContact C-N 3.32Å; V16-L18 PolarHBondContact O-N 2.75Å; V16-F19 PolarHBondContact O-N 3.27Å; V16-V20 HydrophobicContact CG1-CG2 4.43Å; V16-V20 WeakPolarHBondContact O-CG2 3.28Å; V16-V20 PolarHBondContact O-N 3.03Å |
| 17 | L | 95.4 | Very high | 94.6 | Very high | 101 Ų | 101 | 71.5 Ų | 71.5 | 53% | 0.529 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.3 | -39.8 | 176.3 | -69.9 | 175.5 | 0 | 0 | 0 | 111.9 | L13 L14 G21 | L13-L17 HydrophobicContact CD1-CD1 4.18Å; L13-L17 HydrophobicContact CD1-CG 4.2Å; L13-L17 HydrophobicContact CG-CD1 3.99Å; L13-L17 HydrophobicContact CG-CG 4.41Å; L13-L17 WeakPolarHBondContact O-CB 3.42Å; L13-L17 VanDerWaalsContact O-CG 3.3Å; L13-L17 WeakPolarHBondContact O-CG 3.21Å; L13-L17 PolarHBondContact O-N 2.97Å; L14-L17 PolarHBondContact O-N 3.02Å; L17-G21 WeakPolarHBondContact O-CA 3.24Å; L17-G21 PolarHBondContact O-N 2.71Å |
| 18 | L | 95.6 | Very high | 95 | Very high | 100 Ų | 100 | 67 Ų | 67 | 52% | 0.524 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.8 | -47.7 | 174.7 | 177.5 | 63.7 | 0 | 0 | 0 | 111.1 | L14 N15 V16 G21 V22 | L14-L18 VanDerWaalsContact O-CB 3.26Å; L14-L18 WeakPolarHBondContact O-CB 3.22Å; L14-L18 PolarHBondContact O-N 2.77Å; N15-L18 PolarHBondContact O-N 2.85Å; V16-L18 VanDerWaalsContact C-N 3.32Å; V16-L18 PolarHBondContact O-N 2.75Å; L18-G21 PolarHBondContact O-N 3.23Å; L18-V22 HydrophobicContact CD1-CG2 4.11Å; L18-V22 WeakPolarHBondContact O-CG2 3.38Å; L18-V22 PolarHBondContact O-N 3.39Å |
| 19 | F | 94.8 | Very high | 95.6 | Very high | 52 Ų | 52 | 62.6 Ų | 62.6 | 23% | 0.228 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.1 | -51.9 | 179.6 | -178.7 | -97.6 | 0 | 0 | 0 | 111.2 | N15 V16 G21 V22 D23 H115 A116 I119 | N15-F19 WeakPolarHBondContact O-CB 3.26Å; N15-F19 PolarHBondContact O-N 3.4Å; V16-F19 PolarHBondContact O-N 3.27Å; F19-G21 VanDerWaalsContact C-N 3.32Å; F19-G21 PolarHBondContact O-N 3.06Å; F19-V22 PolarHBondContact O-N 3.22Å; F19-D23 WeakPolarHBondContact CE1-OD2 3.08Å; F19-D23 WeakPolarHBondContact CZ-OD2 3.32Å; F19-D23 PolarHBondContact O-N 2.7Å; F19-H115 AromaticContact CD2-ND1 3.9Å; F19-A116 HydrophobicContact CE2-CB 4.08Å; F19-I119 HydrophobicContact CB-CD1 4.47Å; F19-I119 HydrophobicContact CD2-CD1 3.83Å; F19-I119 HydrophobicContact CE2-CD1 4.49Å; F19-I119 HydrophobicContact CG-CD1 4.34Å |
| 20 | V | 96 | Very high | 95.9 | Very high | 59 Ų | 59 | 63.4 Ų | 63.4 | 36% | 0.358 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 177 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | M1 V16 D23 L24 | M1-V20 HydrophobicContact CE-CG2 4.29Å; V16-V20 HydrophobicContact CG1-CG2 4.43Å; V16-V20 WeakPolarHBondContact O-CG2 3.28Å; V16-V20 PolarHBondContact O-N 3.03Å; V20-D23 PolarHBondContact O-N 2.95Å; V20-L24 HydrophobicContact CG1-CD1 4.06Å; V20-L24 HydrophobicContact CG1-CG 4.38Å; V20-L24 VanDerWaalsContact O-CG 3.27Å; V20-L24 WeakPolarHBondContact O-CG 3.38Å; V20-L24 PolarHBondContact O-N 3.05Å |
| 21 | G | 97.7 | Very high | 96.1 | Very high | 27 Ų | 27 | 62.9 Ų | 62.9 | 28% | 0.278 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62 | -43.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L17 L18 F19 L24 L25 | L17-G21 WeakPolarHBondContact O-CA 3.24Å; L17-G21 PolarHBondContact O-N 2.71Å; L18-G21 PolarHBondContact O-N 3.23Å; F19-G21 VanDerWaalsContact C-N 3.32Å; F19-G21 PolarHBondContact O-N 3.06Å; G21-L24 PolarHBondContact O-N 2.74Å; G21-L25 VanDerWaalsContact O-CG 3.27Å; G21-L25 WeakPolarHBondContact O-CG 3.24Å; G21-L25 PolarHBondContact O-N 2.94Å |
| 22 | V | 98 | Very high | 96.3 | Very high | 5 Ų | 5 | 55.1 Ų | 55.1 | 3% | 0.03 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 175.7 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | L18 F19 L24 L25 V26 W108 V111 G112 | L18-V22 HydrophobicContact CD1-CG2 4.11Å; L18-V22 WeakPolarHBondContact O-CG2 3.38Å; L18-V22 PolarHBondContact O-N 3.39Å; F19-V22 PolarHBondContact O-N 3.22Å; V22-L24 VanDerWaalsContact C-N 3.34Å; V22-L24 PolarHBondContact O-N 3.17Å; V22-L25 CarbonylContact O-C 3.58Å; V22-L25 WeakPolarHBondContact O-CA 3.5Å; V22-L25 WeakPolarHBondContact O-CB 3.4Å; V22-L25 PolarHBondContact O-N 2.82Å; V22-L25 VanDerWaalsContact O-N 3.09Å; V22-V26 WeakPolarHBondContact O-CG2 3.21Å; V22-V26 PolarHBondContact O-N 3.13Å; V22-W108 HydrophobicContact CG1-CE3 4.08Å; V22-W108 HydrophobicContact CG2-CE3 4.12Å; V22-W108 HydrophobicContact CG2-CZ3 3.99Å; V22-V111 HydrophobicContact CG1-CG1 4.39Å; V22-V111 HydrophobicContact CG2-CG1 4.45Å; V22-G112 VanDerWaalsContact CG1-CA 3.43Å |
| 23 | D | 96.7 | Very high | 96.5 | Very high | 62 Ų | 62 | 55.1 Ų | 55.1 | 33% | 0.332 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 177.2 | -75.9 | -14.3 | 0 | 0 | 0 | 112.1 | F19 V20 L25 V26 L27 | F19-D23 WeakPolarHBondContact CE1-OD2 3.08Å; F19-D23 WeakPolarHBondContact CZ-OD2 3.32Å; F19-D23 PolarHBondContact O-N 2.7Å; V20-D23 PolarHBondContact O-N 2.95Å; D23-L25 VanDerWaalsContact C-N 3.3Å; D23-L25 PolarHBondContact O-N 2.89Å; D23-V26 WeakPolarHBondContact O-CB 3.47Å; D23-V26 PolarHBondContact O-N 3.43Å; D23-L27 WeakPolarHBondContact O-CG 3.06Å; D23-L27 PolarHBondContact O-N 2.87Å |
| 24 | L | 98.2 | Very high | 96.7 | Very high | 108 Ų | 108 | 53.6 Ų | 53.6 | 57% | 0.565 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.2 | -36.6 | 173.8 | -70.3 | 173.7 | 0 | 0 | 0 | 111.9 | V20 G21 V22 S28 | V20-L24 HydrophobicContact CG1-CD1 4.06Å; V20-L24 HydrophobicContact CG1-CG 4.38Å; V20-L24 VanDerWaalsContact O-CG 3.27Å; V20-L24 WeakPolarHBondContact O-CG 3.38Å; V20-L24 PolarHBondContact O-N 3.05Å; G21-L24 PolarHBondContact O-N 2.74Å; V22-L24 VanDerWaalsContact C-N 3.34Å; V22-L24 PolarHBondContact O-N 3.17Å; L24-S28 WeakPolarHBondContact O-CB 3.36Å; L24-S28 PolarHBondContact O-N 3.44Å; L24-S28 PolarHBondContact O-OG 3.17Å |
| 25 | L | 98.3 | Very high | 96.8 | Very high | 66 Ų | 66 | 56.4 Ų | 56.4 | 35% | 0.346 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.4 | -39.3 | 174 | -71.6 | 166 | 0 | 0 | 0 | 111.9 | G21 V22 D23 S28 N29 W108 | G21-L25 VanDerWaalsContact O-CG 3.27Å; G21-L25 WeakPolarHBondContact O-CG 3.24Å; G21-L25 PolarHBondContact O-N 2.94Å; V22-L25 CarbonylContact O-C 3.58Å; V22-L25 WeakPolarHBondContact O-CA 3.5Å; V22-L25 WeakPolarHBondContact O-CB 3.4Å; V22-L25 PolarHBondContact O-N 2.82Å; V22-L25 VanDerWaalsContact O-N 3.09Å; D23-L25 VanDerWaalsContact C-N 3.3Å; D23-L25 PolarHBondContact O-N 2.89Å; L25-S28 WeakPolarHBondContact CA-OG 3.27Å; L25-S28 PolarHBondContact O-OG 2.79Å; L25-S28 VanDerWaalsContact O-OG 3.11Å; L25-N29 WeakPolarHBondContact O-CB 3.41Å; L25-N29 PolarHBondContact O-N 2.85Å; L25-N29 VanDerWaalsContact O-N 3.13Å; L25-N29 PolarHBondContact O-ND2 3.02Å; L25-W108 HydrophobicContact CB-CB 4.38Å; L25-W108 HydrophobicContact CB-CD2 4.02Å; L25-W108 HydrophobicContact CB-CG 3.88Å; L25-W108 HydrophobicContact CD1-CD2 3.99Å; L25-W108 HydrophobicContact CD1-CE3 4.16Å; L25-W108 HydrophobicContact CD1-CH2 3.91Å; L25-W108 HydrophobicContact CD1-CZ2 3.73Å; L25-W108 HydrophobicContact CD1-CZ3 4.12Å |
| 26 | V | 98.3 | Very high | 96.8 | Very high | 24 Ų | 24 | 57.7 Ų | 57.7 | 15% | 0.145 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.3 | -54.1 | 173.5 | 173.9 | 0 | 0 | 0 | 0 | 110.3 | V22 D23 N29 F30 F105 W108 | V22-V26 WeakPolarHBondContact O-CG2 3.21Å; V22-V26 PolarHBondContact O-N 3.13Å; D23-V26 WeakPolarHBondContact O-CB 3.47Å; D23-V26 PolarHBondContact O-N 3.43Å; V26-N29 PolarHBondContact O-N 3.5Å; V26-F30 WeakPolarHBondContact O-CB 3.38Å; V26-F30 PolarHBondContact O-N 3.19Å; V26-F105 HydrophobicContact CG1-CD2 4.14Å; V26-F105 HydrophobicContact CG1-CE2 4.17Å; V26-W108 HydrophobicContact CG2-CB 3.63Å; V26-W108 VanDerWaalsContact CG2-O 3.32Å; V26-W108 WeakPolarHBondContact CG2-O 3.46Å |
| 27 | L | 97.8 | Very high | 96.8 | Very high | 89 Ų | 89 | 57.5 Ų | 57.5 | 47% | 0.466 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.9 | -47.1 | -176.4 | -69 | 175.1 | 0 | 0 | 0 | 111.7 | D23 N29 F30 F31 | D23-L27 WeakPolarHBondContact O-CG 3.06Å; D23-L27 PolarHBondContact O-N 2.87Å; L27-N29 PolarHBondContact O-N 2.75Å; L27-F30 PolarHBondContact O-N 2.68Å; L27-F31 HydrophobicContact CB-CD2 4.41Å; L27-F31 HydrophobicContact CB-CE2 4.36Å; L27-F31 HydrophobicContact CD2-CE2 4.35Å; L27-F31 WeakPolarHBondContact O-CD2 3.2Å; L27-F31 PolarHBondContact O-N 3.09Å |
| 28 | S | 97.9 | Very high | 96.9 | Very high | 61 Ų | 61 | 53.1 Ų | 53.1 | 43% | 0.427 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 179.6 | 57.8 | 0 | 0 | 0 | 0 | 112.2 | L24 L25 A32 | L24-S28 WeakPolarHBondContact O-CB 3.36Å; L24-S28 PolarHBondContact O-N 3.44Å; L24-S28 PolarHBondContact O-OG 3.17Å; L25-S28 WeakPolarHBondContact CA-OG 3.27Å; L25-S28 PolarHBondContact O-OG 2.79Å; L25-S28 VanDerWaalsContact O-OG 3.11Å; S28-A32 WeakPolarHBondContact O-CB 3.3Å; S28-A32 PolarHBondContact O-N 3.42Å |
| 29 | N | 97.9 | Very high | 96.8 | Very high | 18 Ų | 18 | 48.7 Ų | 48.7 | 10% | 0.096 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.5 | -35.2 | 177.5 | -76.9 | -77.8 | 0 | 0 | 0 | 112.5 | L25 V26 L27 S33 M104 F105 | L25-N29 WeakPolarHBondContact O-CB 3.41Å; L25-N29 PolarHBondContact O-N 2.85Å; L25-N29 VanDerWaalsContact O-N 3.13Å; L25-N29 PolarHBondContact O-ND2 3.02Å; V26-N29 PolarHBondContact O-N 3.5Å; L27-N29 PolarHBondContact O-N 2.75Å; N29-S33 WeakPolarHBondContact O-CB 3.29Å; N29-S33 PolarHBondContact O-N 3.02Å; N29-M104 HydrophobicContact CB-CB 4.15Å; N29-M104 WeakPolarHBondContact OD1-CB 3.27Å; N29-F105 HydrophobicContact CB-CB 3.95Å |
| 30 | F | 97.9 | Very high | 96.9 | Very high | 56 Ų | 56 | 49 Ų | 49 | 25% | 0.246 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59 | -56.2 | 172 | 175.4 | -103.5 | 0 | 0 | 0 | 110.5 | V26 L27 A32 S33 V34 I90 F105 | V26-F30 WeakPolarHBondContact O-CB 3.38Å; V26-F30 PolarHBondContact O-N 3.19Å; L27-F30 PolarHBondContact O-N 2.68Å; F30-A32 VanDerWaalsContact C-N 3.35Å; F30-A32 PolarHBondContact O-N 2.67Å; F30-S33 WeakPolarHBondContact O-CB 3.42Å; F30-S33 PolarHBondContact O-N 2.84Å; F30-S33 VanDerWaalsContact O-N 3.1Å; F30-S33 PolarHBondContact O-OG 3.49Å; F30-V34 HydrophobicContact CE1-CG2 4.25Å; F30-V34 HydrophobicContact CE2-CG2 4.4Å; F30-V34 HydrophobicContact CZ-CG2 4.14Å; F30-V34 WeakPolarHBondContact O-CG2 3.04Å; F30-V34 PolarHBondContact O-N 3.41Å; F30-V34 VanDerWaalsContact O-N 3.12Å; F30-I90 HydrophobicContact CD2-CG2 4.3Å; F30-I90 HydrophobicContact CE2-CG2 4.03Å; F30-F105 HydrophobicContact CB-CD2 3.68Å; F30-F105 HydrophobicContact CB-CE2 4Å; F30-F105 HydrophobicContact CB-CG 4.27Å; F30-F105 HydrophobicContact CD2-CD2 4.15Å; F30-F105 HydrophobicContact CD2-CE1 4.23Å; F30-F105 AromaticContact CD2-CE2 3.82Å; F30-F105 HydrophobicContact CD2-CE2 3.82Å; F30-F105 HydrophobicContact CD2-CG 4.49Å; F30-F105 AromaticContact CD2-CZ 3.86Å; F30-F105 HydrophobicContact CD2-CZ 3.86Å; F30-F105 HydrophobicContact CG-CD2 4.39Å; F30-F105 HydrophobicContact CG-CE2 4.29Å |
| 31 | F | 97.9 | Very high | 97 | Very high | 107 Ų | 107 | 46.5 Ų | 46.5 | 47% | 0.469 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.1 | -38.6 | 179.8 | -72.9 | -63.8 | 0 | 0 | 0 | 112.3 | L27 S33 V34 L35 | L27-F31 HydrophobicContact CB-CD2 4.41Å; L27-F31 HydrophobicContact CB-CE2 4.36Å; L27-F31 HydrophobicContact CD2-CE2 4.35Å; L27-F31 WeakPolarHBondContact O-CD2 3.2Å; L27-F31 PolarHBondContact O-N 3.09Å; F31-S33 VanDerWaalsContact C-N 3.32Å; F31-S33 PolarHBondContact O-N 2.89Å; F31-V34 PolarHBondContact O-N 3.4Å; F31-L35 HydrophobicContact CB-CD1 4.32Å; F31-L35 VanDerWaalsContact O-CB 3.31Å; F31-L35 WeakPolarHBondContact O-CB 3.46Å; F31-L35 VanDerWaalsContact O-CG 3.28Å; F31-L35 WeakPolarHBondContact O-CG 3Å; F31-L35 PolarHBondContact O-N 3.37Å |
| 32 | A | 97 | Very high | 96.9 | Very high | 20 Ų | 20 | 48.1 Ų | 48.1 | 17% | 0.165 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S28 F30 V34 L35 V36 F101 | S28-A32 WeakPolarHBondContact O-CB 3.3Å; S28-A32 PolarHBondContact O-N 3.42Å; F30-A32 VanDerWaalsContact C-N 3.35Å; F30-A32 PolarHBondContact O-N 2.67Å; A32-V34 VanDerWaalsContact C-N 3.27Å; A32-V34 PolarHBondContact O-N 3.13Å; A32-L35 PolarHBondContact O-N 3.42Å; A32-V36 HydrophobicContact CB-CG2 4.38Å; A32-V36 VanDerWaalsContact O-CB 3.29Å; A32-V36 WeakPolarHBondContact O-CB 3.02Å; A32-V36 VanDerWaalsContact O-CG2 3.26Å; A32-V36 WeakPolarHBondContact O-CG2 3.4Å; A32-V36 PolarHBondContact O-N 2.89Å; A32-F101 HydrophobicContact CB-CB 3.92Å; A32-F101 HydrophobicContact CB-CD1 3.53Å; A32-F101 HydrophobicContact CB-CD2 3.98Å; A32-F101 HydrophobicContact CB-CE1 4Å; A32-F101 HydrophobicContact CB-CE2 4.43Å; A32-F101 HydrophobicContact CB-CG 3.53Å; A32-F101 HydrophobicContact CB-CZ 4.43Å |
| 33 | S | 96.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.4 | -32 | 176.5 | 80 | 0 | 0 | 0 | 0 | 112.9 | N29 F30 F31 I90 N98 | N29-S33 WeakPolarHBondContact O-CB 3.29Å; N29-S33 PolarHBondContact O-N 3.02Å; F30-S33 WeakPolarHBondContact O-CB 3.42Å; F30-S33 PolarHBondContact O-N 2.84Å; F30-S33 VanDerWaalsContact O-N 3.1Å; F30-S33 PolarHBondContact O-OG 3.49Å; F31-S33 VanDerWaalsContact C-N 3.32Å; F31-S33 PolarHBondContact O-N 2.89Å; S33-I90 WeakPolarHBondContact OG-CG2 3.11Å; S33-N98 PolarHBondContact O-ND2 2.87Å |
| 34 | V | 96.8 | Very high | 96.8 | Very high | 41 Ų | 41 | 57.3 Ų | 57.3 | 25% | 0.248 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -76.1 | -51.2 | 175.9 | 177.4 | 0 | 0 | 0 | 0 | 111 | F30 F31 A32 I90 N92 | F30-V34 HydrophobicContact CE1-CG2 4.25Å; F30-V34 HydrophobicContact CE2-CG2 4.4Å; F30-V34 HydrophobicContact CZ-CG2 4.14Å; F30-V34 WeakPolarHBondContact O-CG2 3.04Å; F30-V34 PolarHBondContact O-N 3.41Å; F30-V34 VanDerWaalsContact O-N 3.12Å; F31-V34 PolarHBondContact O-N 3.4Å; A32-V34 VanDerWaalsContact C-N 3.27Å; A32-V34 PolarHBondContact O-N 3.13Å; V34-I90 HydrophobicContact CG2-CB 3.82Å; V34-I90 HydrophobicContact CG2-CG2 4.41Å; V34-N92 PolarHBondContact O-ND2 3.36Å |
| 35 | L | 96.9 | Very high | 96.7 | Very high | 138 Ų | 138 | 53.8 Ų | 53.8 | 72% | 0.723 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -88.9 | -33.7 | -163.2 | -63.4 | 174.5 | 0 | 0 | 0 | 114.6 | F31 A32 G37 | F31-L35 HydrophobicContact CB-CD1 4.32Å; F31-L35 VanDerWaalsContact O-CB 3.31Å; F31-L35 WeakPolarHBondContact O-CB 3.46Å; F31-L35 VanDerWaalsContact O-CG 3.28Å; F31-L35 WeakPolarHBondContact O-CG 3Å; F31-L35 PolarHBondContact O-N 3.37Å; A32-L35 PolarHBondContact O-N 3.42Å; L35-G37 PolarHBondContact O-N 3.19Å |
| 36 | V | 94.6 | Very high | 96.5 | Very high | 57 Ų | 57 | 55.9 Ų | 55.9 | 35% | 0.345 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -64.4 | -24.9 | -178.9 | 172.8 | 0 | 0 | 0 | 0 | 111.8 | A32 R97 F101 | A32-V36 HydrophobicContact CB-CG2 4.38Å; A32-V36 VanDerWaalsContact O-CB 3.29Å; A32-V36 WeakPolarHBondContact O-CB 3.02Å; A32-V36 VanDerWaalsContact O-CG2 3.26Å; A32-V36 WeakPolarHBondContact O-CG2 3.4Å; A32-V36 PolarHBondContact O-N 2.89Å; V36-R97 HydrophobicContact CG1-CB 4.36Å; V36-F101 HydrophobicContact CB-CD2 4.47Å; V36-F101 HydrophobicContact CB-CE2 4.33Å; V36-F101 HydrophobicContact CG1-CE2 4.23Å; V36-F101 HydrophobicContact CG2-CD2 4.17Å; V36-F101 HydrophobicContact CG2-CE2 3.81Å |
| 37 | G | 93.1 | Very high | 96.2 | Very high | 16 Ų | 16 | 55.1 Ų | 55.1 | 17% | 0.165 | 30% | 0.297 | C | S | . | . | trans | 78 | 163.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L35 G39 R97 N98 | L35-G37 PolarHBondContact O-N 3.19Å; G37-G39 VanDerWaalsContact C-N 3.33Å; G37-G39 PolarHBondContact O-N 3.46Å; G37-R97 WeakPolarHBondContact O-CB 3.21Å; G37-N98 WeakPolarHBondContact O-CB 3.38Å | ||
| 38 | P | 95.9 | Very high | 95.9 | Very high | 10 Ų | 10 | 56.6 Ų | 56.6 | 7% | 0.065 | 31% | 0.314 | C | S | . | . | trans | -76.8 | -17.1 | -171.5 | 31.5 | -38.9 | 0 | 0 | 0 | 114.5 | V80 C93 G95 F96 R97 | P38-V80 HydrophobicContact CB-CG1 3.66Å; P38-V80 HydrophobicContact CB-CG2 4.19Å; P38-V80 HydrophobicContact CG-CG1 4.28Å; P38-V80 HydrophobicContact CG-CG2 3.94Å; P38-C93 HydrophobicContact CB-CB 3.69Å; P38-C93 WeakPolarHBondContact CB-O 3.31Å; P38-C93 HydrophobicContact CG-CB 3.9Å; P38-G95 CarbonylContact O-C 3.57Å; P38-G95 VanDerWaalsContact O-C 3.3Å; P38-F96 PolarHBondContact O-N 3.39Å; P38-F96 VanDerWaalsContact O-N 3.12Å; P38-R97 PolarHBondContact O-N 2.83Å | ||
| 39 | G | 95.1 | Very high | 95.6 | Very high | 7 Ų | 7 | 57.2 Ų | 57.2 | 7% | 0.072 | 31% | 0.313 | C | S | . | . | trans | 85 | 88.9 | -164 | 0 | 0 | 0 | 0 | 0 | 111 | G37 L81 R97 | G37-G39 VanDerWaalsContact C-N 3.33Å; G37-G39 PolarHBondContact O-N 3.46Å; G39-L81 WeakPolarHBondContact O-CB 3.41Å; G39-L81 WeakPolarHBondContact O-CG 3.11Å; G39-L81 PolarHBondContact O-N 2.66Å; G39-R97 VanDerWaalsContact CA-CD 3.49Å | ||
| 40 | C | 96.6 | Very high | 95.1 | Very high | 58 Ų | 58 | 62.9 Ų | 62.9 | 39% | 0.392 | 34% | 0.337 | S | S | . | . | B | Isolated β-bridge | trans | -86.4 | 139.7 | 177.2 | -67.2 | 0 | 0 | 0 | 0 | 110.6 | R78 C79 | C40-R78 HydrophobicContact CB-CB 4.5Å; C40-C79 CarbonylContact C-O 3.45Å; C40-C79 VanDerWaalsContact CA-O 3.27Å; C40-C79 WeakPolarHBondContact CA-O 3.41Å |
| 41 | L | 96.9 | Very high | 94.5 | Very high | 7 Ų | 7 | 65.9 Ų | 65.9 | 4% | 0.037 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 146.3 | 167.5 | -169.5 | 67.3 | 0 | 0 | 0 | 109.3 | W45 Y65 A67 T70 R78 C79 L81 I229 | L41-W45 HydrophobicContact CD1-CB 4.12Å; L41-W45 HydrophobicContact CD1-CD2 3.88Å; L41-W45 HydrophobicContact CD1-CG 3.65Å; L41-W45 HydrophobicContact CD2-CB 3.85Å; L41-W45 HydrophobicContact CD2-CD2 4Å; L41-W45 HydrophobicContact CD2-CE3 3.96Å; L41-W45 HydrophobicContact CD2-CG 3.98Å; L41-W45 HydrophobicContact CG-CB 3.71Å; L41-W45 HydrophobicContact CG-CD2 4.25Å; L41-W45 HydrophobicContact CG-CG 3.82Å; L41-Y65 VanDerWaalsContact CD2-O 3.26Å; L41-Y65 WeakPolarHBondContact CD2-O 3.37Å; L41-A67 HydrophobicContact CD1-CB 4.08Å; L41-A67 HydrophobicContact CD2-CB 4.24Å; L41-T70 HydrophobicContact CB-CG2 4.29Å; L41-T70 HydrophobicContact CD2-CG2 4.11Å; L41-R78 PolarHBondContact O-NH2 3.29Å; L41-C79 HydrophobicContact CB-CB 4.06Å; L41-C79 PolarHBondContact N-O 3.08Å; L41-L81 HydrophobicContact CB-CD2 3.86Å; L41-L81 HydrophobicContact CB-CG 4.43Å; L41-L81 HydrophobicContact CD1-CD2 3.54Å; L41-L81 HydrophobicContact CG-CD2 4.24Å; L41-I229 HydrophobicContact CD1-CD1 4.21Å; L41-I229 HydrophobicContact CD1-CG1 4.06Å |
| 42 | A | 96.5 | Very high | 93.8 | Very high | 60 Ų | 60 | 62.8 Ų | 62.8 | 50% | 0.496 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 146.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | W45 | A42-W45 HydrophobicContact CB-CB 4.33Å; A42-W45 WeakPolarHBondContact O-CB 3.08Å; A42-W45 PolarHBondContact O-N 2.78Å |
| 43 | L | 96.2 | Very high | 93.2 | Very high | 98 Ų | 98 | 62.6 Ų | 62.6 | 51% | 0.513 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 145.2 | 172.5 | -74 | 167.3 | 0 | 0 | 0 | 109.1 | W45 C62 | L43-W45 PolarHBondContact O-N 2.88Å; L43-W45 VanDerWaalsContact O-N 3.09Å; L43-C62 HydrophobicContact CD2-CB 4.02Å |
| 44 | R | 96.3 | Very high | 92.3 | Very high | 162 Ų | 162 | 66.9 Ų | 66.9 | 61% | 0.611 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 25.4 | -179.1 | -55.9 | 175.7 | 179.6 | 165.1 | 0.3 | 114.2 | Q46 C62 E63 | R44-Q46 PolarHBondContact O-N 3.21Å; R44-C62 PolarHBondContact N-O 3.04Å; R44-E63 VanDerWaalsContact CA-O 3.27Å; R44-E63 WeakPolarHBondContact CA-O 3.49Å; R44-E63 HydrophobicContact CG-CB 3.74Å; R44-E63 WeakPolarHBondContact CG-O 3.45Å; R44-E63 IonicContact CZ-OE2 3.21Å; R44-E63 IonicContact NE-OE2 2.79Å; R44-E63 PolarHBondContact NE-OE2 2.78Å; R44-E63 IonicContact NH2-OE2 3.96Å; R44-E63 PolarHBondContact NH2-OE2 2.69Å |
| 45 | W | 96.6 | Very high | 91.5 | Very high | 35 Ų | 35 | 66.9 Ų | 66.9 | 13% | 0.133 | 35% | 0.348 | C | S | . | . | trans | -57.5 | 138.6 | 179.5 | -179 | 88.6 | 0 | 0 | 0 | 111.1 | L41 A42 L43 P47 L56 Y65 A67 I229 | L41-W45 HydrophobicContact CD1-CB 4.12Å; L41-W45 HydrophobicContact CD1-CD2 3.88Å; L41-W45 HydrophobicContact CD1-CG 3.65Å; L41-W45 HydrophobicContact CD2-CB 3.85Å; L41-W45 HydrophobicContact CD2-CD2 4Å; L41-W45 HydrophobicContact CD2-CE3 3.96Å; L41-W45 HydrophobicContact CD2-CG 3.98Å; L41-W45 HydrophobicContact CG-CB 3.71Å; L41-W45 HydrophobicContact CG-CD2 4.25Å; L41-W45 HydrophobicContact CG-CG 3.82Å; A42-W45 HydrophobicContact CB-CB 4.33Å; A42-W45 WeakPolarHBondContact O-CB 3.08Å; A42-W45 PolarHBondContact O-N 2.78Å; L43-W45 PolarHBondContact O-N 2.88Å; L43-W45 VanDerWaalsContact O-N 3.09Å; W45-P47 HydrophobicContact CH2-CB 4Å; W45-L56 HydrophobicContact CH2-CD1 4.09Å; W45-L56 HydrophobicContact CZ3-CD1 3.84Å; W45-Y65 PolarHBondContact O-N 2.94Å; W45-A67 HydrophobicContact CE3-CB 4.42Å; W45-A67 HydrophobicContact CH2-CB 3.92Å; W45-A67 HydrophobicContact CZ2-CB 4.25Å; W45-A67 HydrophobicContact CZ3-CB 4.01Å; W45-I229 HydrophobicContact CH2-CG2 4.15Å; W45-I229 HydrophobicContact CZ2-CD1 4.4Å; W45-I229 HydrophobicContact CZ2-CG2 3.51Å | ||
| 46 | Q | 94.2 | Very high | 91 | Very high | 109 Ų | 109 | 60.4 Ų | 60.4 | 51% | 0.509 | 31% | 0.314 | S | S | . | . | trans | -134.1 | 147.9 | 175.4 | -59.5 | -168.7 | 1.1 | 0 | 0 | 108.6 | R44 Y65 | R44-Q46 PolarHBondContact O-N 3.21Å; Q46-Y65 HydrophobicContact CG-CD2 4.19Å | ||
| 47 | P | 92.1 | Very high | 90.6 | Very high | 9 Ų | 9 | 59.9 Ų | 59.9 | 6% | 0.058 | 31% | 0.308 | C | S | . | . | trans | -65.5 | 151.8 | 172.7 | 30 | -35.5 | 0 | 0 | 0 | 110.6 | W45 N49 E52 T53 L56 | W45-P47 HydrophobicContact CH2-CB 4Å; P47-N49 VanDerWaalsContact C-N 3.27Å; P47-N49 WeakPolarHBondContact CG-O 3.31Å; P47-N49 PolarHBondContact O-N 3.33Å; P47-E52 HydrophobicContact CB-CB 3.96Å; P47-E52 WeakPolarHBondContact CB-OE2 3.49Å; P47-E52 HydrophobicContact CG-CB 4.02Å; P47-T53 HydrophobicContact CG-CG2 3.6Å; P47-L56 HydrophobicContact CB-CD1 4.25Å; P47-L56 HydrophobicContact CG-CD1 4.04Å | ||
| 48 | S | 91.2 | Very high | 90.4 | Very high | 119 Ų | 119 | 64.3 Ų | 64.3 | 83% | 0.832 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -61.5 | -36.5 | 177 | -56.4 | 0 | 0 | 0 | 0 | 112.4 | ||
| 49 | N | 90.5 | Very high | 90.2 | Very high | 75 Ų | 75 | 64.2 Ų | 64.2 | 40% | 0.401 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -95.7 | 114.2 | 170.2 | -178.8 | -5.2 | 0 | 0 | 0 | 109.7 | P47 E51 E52 | P47-N49 VanDerWaalsContact C-N 3.27Å; P47-N49 WeakPolarHBondContact CG-O 3.31Å; P47-N49 PolarHBondContact O-N 3.33Å; N49-E51 PolarHBondContact O-N 3.4Å; N49-E51 WeakPolarHBondContact OD1-CB 3.24Å; N49-E51 PolarHBondContact OD1-N 3.29Å; N49-E52 HydrophobicContact CB-CG 3.96Å; N49-E52 WeakPolarHBondContact O-CB 3.38Å; N49-E52 PolarHBondContact O-N 3.4Å |
| 50 | F | 88.2 | Confident | 90.2 | Very high | 136 Ų | 136 | 72.6 Ų | 72.6 | 60% | 0.596 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -60.4 | -26.9 | -179.2 | -172.2 | -99.7 | 0 | 0 | 0 | 113 | E52 T53 | F50-E52 PolarHBondContact O-N 2.74Å; F50-T53 HydrophobicContact CD2-CG2 4Å; F50-T53 HydrophobicContact CE2-CG2 4.2Å; F50-T53 HydrophobicContact CG-CG2 4.47Å; F50-T53 VanDerWaalsContact O-CB 3.29Å; F50-T53 WeakPolarHBondContact O-CB 3.15Å; F50-T53 WeakPolarHBondContact O-CG2 3.38Å; F50-T53 PolarHBondContact O-N 3.08Å; F50-T53 VanDerWaalsContact O-N 3.15Å; F50-T53 PolarHBondContact O-OG1 2.92Å |
| 51 | E | 85.1 | Confident | 90 | Very high | 120 Ų | 120 | 74 Ų | 74 | 56% | 0.561 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -63.1 | -27.1 | 176.1 | -62.3 | -167.4 | 166.6 | 0 | 0 | 112.6 | N49 T53 R54 | N49-E51 PolarHBondContact O-N 3.4Å; N49-E51 WeakPolarHBondContact OD1-CB 3.24Å; N49-E51 PolarHBondContact OD1-N 3.29Å; E51-T53 PolarHBondContact O-N 2.78Å; E51-R54 WeakPolarHBondContact O-CD 3.39Å; E51-R54 WeakPolarHBondContact O-CG 3.39Å; E51-R54 PolarHBondContact O-N 3.44Å |
| 52 | E | 84.1 | Confident | 90 | Very high | 42 Ų | 42 | 74 Ų | 74 | 20% | 0.196 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -67.9 | -20.6 | 179.4 | -62.9 | 177 | 168.5 | 0 | 0 | 112.3 | P47 N49 F50 R54 Y55 Y240 | P47-E52 HydrophobicContact CB-CB 3.96Å; P47-E52 WeakPolarHBondContact CB-OE2 3.49Å; P47-E52 HydrophobicContact CG-CB 4.02Å; N49-E52 HydrophobicContact CB-CG 3.96Å; N49-E52 WeakPolarHBondContact O-CB 3.38Å; N49-E52 PolarHBondContact O-N 3.4Å; F50-E52 PolarHBondContact O-N 2.74Å; E52-R54 PolarHBondContact O-N 3.05Å; E52-Y55 PolarHBondContact O-N 2.88Å; E52-Y240 HydrophobicContact CB-CE2 4.18Å; E52-Y240 HydrophobicContact CG-CE2 3.99Å; E52-Y240 PolarHBondContact OE2-OH 2.93Å |
| 53 | T | 84.3 | Confident | 90 | Very high | 16 Ų | 16 | 75.4 Ų | 75.4 | 10% | 0.098 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -55.6 | -27.8 | 176.4 | 62.9 | 0 | 0 | 0 | 0 | 112.6 | P47 F50 E51 Y55 L56 Y65 | P47-T53 HydrophobicContact CG-CG2 3.6Å; F50-T53 HydrophobicContact CD2-CG2 4Å; F50-T53 HydrophobicContact CE2-CG2 4.2Å; F50-T53 HydrophobicContact CG-CG2 4.47Å; F50-T53 VanDerWaalsContact O-CB 3.29Å; F50-T53 WeakPolarHBondContact O-CB 3.15Å; F50-T53 WeakPolarHBondContact O-CG2 3.38Å; F50-T53 PolarHBondContact O-N 3.08Å; F50-T53 VanDerWaalsContact O-N 3.15Å; F50-T53 PolarHBondContact O-OG1 2.92Å; E51-T53 PolarHBondContact O-N 2.78Å; T53-Y55 PolarHBondContact O-N 3.4Å; T53-L56 PolarHBondContact O-N 3.49Å; T53-L56 VanDerWaalsContact O-N 3.13Å; T53-Y65 HydrophobicContact CG2-CD1 4.46Å; T53-Y65 HydrophobicContact CG2-CD2 3.95Å; T53-Y65 HydrophobicContact CG2-CE1 4.11Å; T53-Y65 HydrophobicContact CG2-CE2 3.56Å; T53-Y65 HydrophobicContact CG2-CG 4.39Å |
| 54 | R | 77.5 | Confident | 89.8 | Confident | 90 Ų | 90 | 70.9 Ų | 70.9 | 34% | 0.34 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -62.8 | -23.5 | 176.9 | 78.6 | -160.6 | -178.4 | -178.2 | -3.4 | 113.6 | E51 E52 V259 | E51-R54 WeakPolarHBondContact O-CD 3.39Å; E51-R54 WeakPolarHBondContact O-CG 3.39Å; E51-R54 PolarHBondContact O-N 3.44Å; E52-R54 PolarHBondContact O-N 3.05Å; R54-V259 HydrophobicContact CB-CG1 4.14Å; R54-V259 HydrophobicContact CG-CG1 4.35Å |
| 55 | Y | 79.8 | Confident | 89.7 | Confident | 41 Ų | 41 | 65.2 Ų | 65.2 | 16% | 0.161 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -98.7 | -4.4 | 179.5 | -53.6 | -57.6 | 0 | 0 | 0 | 113.3 | E52 T53 Y240 T243 V244 C258 | E52-Y55 PolarHBondContact O-N 2.88Å; T53-Y55 PolarHBondContact O-N 3.4Å; Y55-Y240 AromaticContact CD2-CD2 3.75Å; Y55-Y240 HydrophobicContact CD2-CD2 3.75Å; Y55-Y240 HydrophobicContact CD2-CE2 4.24Å; Y55-Y240 HydrophobicContact CD2-CG 4.1Å; Y55-Y240 HydrophobicContact CE2-CD2 4.46Å; Y55-Y240 HydrophobicContact CG-CD2 4.23Å; Y55-Y240 HydrophobicContact CG-CG 4.12Å; Y55-T243 WeakPolarHBondContact O-CG2 3.48Å; Y55-V244 HydrophobicContact CD1-CG2 3.54Å; Y55-V244 HydrophobicContact CE1-CG2 4.29Å; Y55-V244 HydrophobicContact CG-CG2 4.04Å; Y55-C258 HydrophobicContact CE1-CB 4.44Å |
| 56 | L | 85.1 | Confident | 89.5 | Confident | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -110.6 | 146.7 | -170.1 | -64.4 | 179.8 | 0 | 0 | 0 | 112.2 | W45 P47 T53 Y65 K66 Y240 | W45-L56 HydrophobicContact CH2-CD1 4.09Å; W45-L56 HydrophobicContact CZ3-CD1 3.84Å; P47-L56 HydrophobicContact CB-CD1 4.25Å; P47-L56 HydrophobicContact CG-CD1 4.04Å; T53-L56 PolarHBondContact O-N 3.49Å; T53-L56 VanDerWaalsContact O-N 3.13Å; L56-Y65 HydrophobicContact CB-CD1 3.88Å; L56-Y65 HydrophobicContact CB-CG 4.39Å; L56-K66 WeakPolarHBondContact CD2-O 3.45Å; L56-Y240 HydrophobicContact CD1-CE1 4.32Å; L56-Y240 HydrophobicContact CD2-CD1 3.68Å; L56-Y240 HydrophobicContact CD2-CE1 3.51Å; L56-Y240 HydrophobicContact CG-CD1 4.37Å; L56-Y240 HydrophobicContact CG-CE1 4.02Å |
| 57 | Q | 86.3 | Confident | 89.5 | Confident | 46 Ų | 46 | 60.1 Ų | 60.1 | 22% | 0.215 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 135.9 | 176.2 | -66.4 | 173.7 | 17.6 | 0 | 0 | 110.2 | Y65 K66 | Q57-Y65 CarbonylContact O-C 3.49Å; Q57-Y65 WeakPolarHBondContact O-CA 3.46Å; Q57-K66 HydrophobicContact CB-CD 4.15Å; Q57-K66 WeakPolarHBondContact O-CG 3.35Å; Q57-K66 PolarHBondContact O-N 3.06Å |
| 58 | Y | 89 | Confident | 89.5 | Confident | 109 Ų | 109 | 59.8 Ų | 59.8 | 43% | 0.427 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 132.9 | 173.9 | -165.6 | -99 | 0 | 0 | 0 | 111.9 | K60 E63 Y65 | Y58-K60 HydrophobicContact CD1-CG 4.24Å; Y58-E63 WeakPolarHBondContact OH-CA 3.12Å; Y58-E63 PolarHBondContact OH-O 3.26Å; Y58-Y65 HydrophobicContact CD2-CD1 4.13Å; Y58-Y65 HydrophobicContact CD2-CD2 4.15Å; Y58-Y65 HydrophobicContact CD2-CE1 4.05Å; Y58-Y65 HydrophobicContact CD2-CE2 4.05Å; Y58-Y65 HydrophobicContact CD2-CG 4.19Å; Y58-Y65 HydrophobicContact CE2-CD2 4.48Å; Y58-Y65 HydrophobicContact CE2-CE2 4.31Å |
| 59 | C | 93 | Very high | 89.7 | Confident | 7 Ų | 7 | 54.6 Ų | 54.6 | 5% | 0.047 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 107.4 | 170.5 | -176.2 | 0 | 0 | 0 | 0 | 109.9 | I61 C62 E63 G64 K66 H72 | C59-I61 VanDerWaalsContact C-N 3.26Å; C59-I61 PolarHBondContact O-N 2.82Å; C59-C62 HydrophobicContact CB-CB 4.21Å; C59-C62 PolarHBondContact O-N 3.41Å; C59-C62 PolarHBondContact SG-N 3.37Å; C59-C62 VanDerWaalsContact SG-N 3.44Å; C59-E63 WeakPolarHBondContact O-CA 3.5Å; C59-E63 PolarHBondContact O-N 3.43Å; C59-G64 PolarHBondContact N-O 3.32Å; C59-G64 PolarHBondContact O-N 3.42Å; C59-K66 HydrophobicContact CB-CG 4.15Å; C59-H72 PolarHBondContact SG-ND1 3.5Å |
| 60 | K | 94.1 | Very high | 89.9 | Confident | 183 Ų | 183 | 51.3 Ų | 51.3 | 80% | 0.796 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -32.8 | 177.9 | -62.8 | -172 | 177.7 | -169.7 | 0 | 113.6 | Y58 | Y58-K60 HydrophobicContact CD1-CG 4.24Š|
| 61 | I | 93.9 | Very high | 90.2 | Very high | 88 Ų | 88 | 46.6 Ų | 46.6 | 45% | 0.451 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -38.7 | -177 | -61.4 | 170.1 | 0 | 0 | 0 | 111.4 | C59 E63 H72 N77 | C59-I61 VanDerWaalsContact C-N 3.26Å; C59-I61 PolarHBondContact O-N 2.82Å; I61-E63 VanDerWaalsContact C-N 3.35Å; I61-H72 WeakPolarHBondContact CD1-NE2 3.33Å; I61-N77 VanDerWaalsContact CG2-OD1 3.3Å; I61-N77 WeakPolarHBondContact CG2-OD1 3.26Å |
| 62 | C | 95.9 | Very high | 90.8 | Very high | 7 Ų | 7 | 42.7 Ų | 42.7 | 5% | 0.047 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -0 | 177.5 | -61 | 0 | 0 | 0 | 0 | 113 | L43 R44 C59 G64 H72 C79 | L43-C62 HydrophobicContact CD2-CB 4.02Å; R44-C62 PolarHBondContact N-O 3.04Å; C59-C62 HydrophobicContact CB-CB 4.21Å; C59-C62 PolarHBondContact O-N 3.41Å; C59-C62 PolarHBondContact SG-N 3.37Å; C59-C62 VanDerWaalsContact SG-N 3.44Å; C62-G64 PolarHBondContact O-N 3.24Å; C62-H72 PolarHBondContact SG-ND1 3.28Å; C62-H72 VanDerWaalsContact SG-ND1 3.36Å; C62-C79 PolarHBondContact SG-N 2.76Å; C62-C79 VanDerWaalsContact SG-SG 3.64Å |
| 63 | E | 96.2 | Very high | 91.4 | Very high | 90 Ų | 90 | 41 Ų | 41 | 42% | 0.421 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 35.2 | -179.7 | -62.7 | 174 | 179.7 | 0 | 0 | 114.1 | R44 Y58 C59 I61 | R44-E63 VanDerWaalsContact CA-O 3.27Å; R44-E63 WeakPolarHBondContact CA-O 3.49Å; R44-E63 HydrophobicContact CG-CB 3.74Å; R44-E63 WeakPolarHBondContact CG-O 3.45Å; R44-E63 IonicContact CZ-OE2 3.21Å; R44-E63 IonicContact NE-OE2 2.79Å; R44-E63 PolarHBondContact NE-OE2 2.78Å; R44-E63 IonicContact NH2-OE2 3.96Å; R44-E63 PolarHBondContact NH2-OE2 2.69Å; Y58-E63 WeakPolarHBondContact OH-CA 3.12Å; Y58-E63 PolarHBondContact OH-O 3.26Å; C59-E63 WeakPolarHBondContact O-CA 3.5Å; C59-E63 PolarHBondContact O-N 3.43Å; I61-E63 VanDerWaalsContact C-N 3.35Å |
| 64 | G | 93.4 | Very high | 91.9 | Very high | 2 Ų | 2 | 48 Ų | 48 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 170.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | C59 C62 | C59-G64 PolarHBondContact N-O 3.32Å; C59-G64 PolarHBondContact O-N 3.42Å; C62-G64 PolarHBondContact O-N 3.24Å |
| 65 | Y | 93.3 | Very high | 92.6 | Very high | 43 Ų | 43 | 49.5 Ų | 49.5 | 17% | 0.169 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 153.4 | 173.8 | -66.4 | -88.5 | 0 | 0 | 0 | 110.4 | L41 W45 Q46 T53 L56 Q57 Y58 | L41-Y65 VanDerWaalsContact CD2-O 3.26Å; L41-Y65 WeakPolarHBondContact CD2-O 3.37Å; W45-Y65 PolarHBondContact O-N 2.94Å; Q46-Y65 HydrophobicContact CG-CD2 4.19Å; T53-Y65 HydrophobicContact CG2-CD1 4.46Å; T53-Y65 HydrophobicContact CG2-CD2 3.95Å; T53-Y65 HydrophobicContact CG2-CE1 4.11Å; T53-Y65 HydrophobicContact CG2-CE2 3.56Å; T53-Y65 HydrophobicContact CG2-CG 4.39Å; L56-Y65 HydrophobicContact CB-CD1 3.88Å; L56-Y65 HydrophobicContact CB-CG 4.39Å; Q57-Y65 CarbonylContact O-C 3.49Å; Q57-Y65 WeakPolarHBondContact O-CA 3.46Å; Y58-Y65 HydrophobicContact CD2-CD1 4.13Å; Y58-Y65 HydrophobicContact CD2-CD2 4.15Å; Y58-Y65 HydrophobicContact CD2-CE1 4.05Å; Y58-Y65 HydrophobicContact CD2-CE2 4.05Å; Y58-Y65 HydrophobicContact CD2-CG 4.19Å; Y58-Y65 HydrophobicContact CE2-CD2 4.48Å; Y58-Y65 HydrophobicContact CE2-CE2 4.31Å |
| 66 | K | 93.5 | Very high | 93.4 | Very high | 35 Ų | 35 | 49.2 Ų | 49.2 | 15% | 0.152 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 118.7 | 171.2 | -59.3 | 179.8 | -161.5 | 162.8 | 0 | 107.5 | L56 Q57 C59 T70 | L56-K66 WeakPolarHBondContact CD2-O 3.45Å; Q57-K66 HydrophobicContact CB-CD 4.15Å; Q57-K66 WeakPolarHBondContact O-CG 3.35Å; Q57-K66 PolarHBondContact O-N 3.06Å; C59-K66 HydrophobicContact CB-CG 4.15Å; K66-T70 HydrophobicContact CB-CG2 4.23Å |
| 67 | A | 94 | Very high | 93.9 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 3% | 0.025 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -55.2 | 160.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L41 W45 R69 T70 I229 | L41-A67 HydrophobicContact CD1-CB 4.08Å; L41-A67 HydrophobicContact CD2-CB 4.24Å; W45-A67 HydrophobicContact CE3-CB 4.42Å; W45-A67 HydrophobicContact CH2-CB 3.92Å; W45-A67 HydrophobicContact CZ2-CB 4.25Å; W45-A67 HydrophobicContact CZ3-CB 4.01Å; A67-R69 PolarHBondContact O-N 3.13Å; A67-T70 WeakPolarHBondContact O-CB 3.36Å; A67-T70 PolarHBondContact O-N 3.24Å; A67-T70 PolarHBondContact O-OG1 3.12Å; A67-I229 HydrophobicContact CB-CB 4.3Å; A67-I229 HydrophobicContact CB-CG1 4.25Å; A67-I229 HydrophobicContact CB-CG2 3.9Å |
| 68 | P | 92.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.013 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.7 | 139.4 | 172.5 | -28.2 | 35.3 | 0 | 0 | 0 | 112.4 | T70 I229 W231 Q239 Y240 | P68-T70 PolarHBondContact O-N 3.41Å; P68-T70 VanDerWaalsContact O-N 3.08Å; P68-I229 WeakPolarHBondContact CD-O 3.3Å; P68-W231 PolarHBondContact O-NE1 3.35Å; P68-Q239 HydrophobicContact CG-CB 4.29Å; P68-Y240 HydrophobicContact CG-CD1 4.15Å; P68-Y240 HydrophobicContact CG-CE1 3.85Å |
| 69 | R | 94 | Very high | 94.8 | Very high | 10 Ų | 10 | 49.8 Ų | 49.8 | 4% | 0.038 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 7.5 | -178.5 | -41.7 | -178 | 69.9 | 175.3 | 5.1 | 115.6 | A67 K82 M83 N181 E186 Y206 | A67-R69 PolarHBondContact O-N 3.13Å; R69-K82 WeakPolarHBondContact O-CA 3.34Å; R69-K82 PolarHBondContact O-N 3.15Å; R69-M83 PolarHBondContact O-N 2.76Å; R69-N181 PolarHBondContact NH1-OD1 3.23Å; R69-N181 VanDerWaalsContact NH1-OD1 3.12Å; R69-N181 PolarHBondContact NH2-O 2.93Å; R69-N181 PolarHBondContact NH2-OD1 2.87Å; R69-E186 WeakPolarHBondContact CB-OE1 3.44Å; R69-E186 VanDerWaalsContact CG-OE1 3.25Å; R69-E186 WeakPolarHBondContact CG-OE1 3.46Å; R69-E186 IonicContact CZ-OE1 3.8Å; R69-E186 IonicContact CZ-OE2 2.7Å; R69-E186 IonicContact NE-OE1 3.74Å; R69-E186 PolarHBondContact NE-OE1 2.83Å; R69-E186 IonicContact NE-OE2 3.12Å; R69-E186 IonicContact NH2-OE1 2.71Å; R69-E186 IonicContact NH2-OE2 2.7Å; R69-E186 PolarHBondContact NH2-OE2 3.44Å; R69-Y206 HydrophobicContact CG-CD2 4.21Å; R69-Y206 HydrophobicContact CG-CE1 4.49Å; R69-Y206 HydrophobicContact CG-CE2 3.54Å |
| 70 | T | 95.3 | Very high | 95.1 | Very high | 5 Ų | 5 | 49.5 Ų | 49.5 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | trans | -90.3 | 133.2 | 178.5 | -63.6 | 0 | 0 | 0 | 0 | 111.8 | L41 K66 A67 P68 C79 V80 L81 | L41-T70 HydrophobicContact CB-CG2 4.29Å; L41-T70 HydrophobicContact CD2-CG2 4.11Å; K66-T70 HydrophobicContact CB-CG2 4.23Å; A67-T70 WeakPolarHBondContact O-CB 3.36Å; A67-T70 PolarHBondContact O-N 3.24Å; A67-T70 PolarHBondContact O-OG1 3.12Å; P68-T70 PolarHBondContact O-N 3.41Å; P68-T70 VanDerWaalsContact O-N 3.08Å; T70-C79 HydrophobicContact CG2-CB 3.66Å; T70-V80 WeakPolarHBondContact CA-O 3.4Å; T70-V80 WeakPolarHBondContact CG2-O 3.43Å; T70-L81 WeakPolarHBondContact OG1-CD2 3.34Å | ||
| 71 | H | 95.1 | Very high | 95.2 | Very high | 37 Ų | 37 | 41.4 Ų | 41.4 | 17% | 0.171 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 145.9 | 174.7 | -59.8 | -87.3 | 0 | 0 | 0 | 111.4 | C73 C79 V80 M83 I185 | H71-C73 PolarHBondContact O-N 2.7Å; H71-C79 WeakPolarHBondContact O-CA 3.25Å; H71-V80 PolarHBondContact N-O 2.7Å; H71-V80 PolarHBondContact O-N 3.42Å; H71-M83 HydrophobicContact CB-CB 3.92Å; H71-M83 HydrophobicContact CB-CG 4.33Å; H71-M83 HydrophobicContact CB-SD 3.67Å; H71-I185 HydrophobicContact CB-CD1 3.96Å |
| 72 | H | 96.5 | Very high | 95.3 | Very high | 39 Ų | 39 | 37.5 Ų | 37.5 | 18% | 0.181 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 117.5 | 175.5 | -175.3 | 92.4 | 0 | 0 | 0 | 109.3 | C59 I61 C62 | C59-H72 PolarHBondContact SG-ND1 3.5Å; I61-H72 WeakPolarHBondContact CD1-NE2 3.33Å; C62-H72 PolarHBondContact SG-ND1 3.28Å; C62-H72 VanDerWaalsContact SG-ND1 3.36Å |
| 73 | C | 96.9 | Very high | 95.4 | Very high | 6 Ų | 6 | 38 Ų | 38 | 4% | 0.041 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 119.3 | 171.1 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | H71 K75 C76 N77 R78 M83 C93 | H71-C73 PolarHBondContact O-N 2.7Å; C73-K75 VanDerWaalsContact C-N 3.29Å; C73-K75 PolarHBondContact O-N 3.18Å; C73-C76 HydrophobicContact CB-CB 3.95Å; C73-C76 PolarHBondContact O-N 2.73Å; C73-N77 WeakPolarHBondContact O-CA 3.37Å; C73-N77 PolarHBondContact O-N 3.07Å; C73-R78 PolarHBondContact N-O 3.4Å; C73-R78 PolarHBondContact O-N 3.27Å; C73-M83 HydrophobicContact CB-CE 3.63Å; C73-M83 HydrophobicContact CB-SD 3.88Å; C73-C93 WeakPolarHBondContact CB-SG 3.21Å; C73-C93 PolarHBondContact SG-SG 3.45Å |
| 74 | R | 94.2 | Very high | 95.4 | Very high | 164 Ų | 164 | 33.7 Ų | 33.7 | 62% | 0.619 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -33.8 | 179.1 | -170.7 | 176.8 | -175.2 | -177.9 | -3.3 | 113.1 | K341 | R74-K341 VanDerWaalsContact NH2-CD 3.34Š|
| 75 | K | 93.8 | Very high | 95.5 | Very high | 121 Ų | 121 | 35.9 Ų | 35.9 | 53% | 0.526 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -45.7 | 179.1 | -71.1 | -177.9 | 168.8 | -175.8 | 0 | 112 | C73 N77 H86 | C73-K75 VanDerWaalsContact C-N 3.29Å; C73-K75 PolarHBondContact O-N 3.18Å; K75-N77 PolarHBondContact O-N 3.15Å; K75-H86 WeakPolarHBondContact CD-CD2 3.31Å; K75-H86 VanDerWaalsContact CD-NE2 3.34Å; K75-H86 WeakPolarHBondContact CD-NE2 3.25Å |
| 76 | C | 94.9 | Very high | 95.7 | Very high | 34 Ų | 34 | 35.1 Ų | 35.1 | 23% | 0.23 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -12.5 | 174.2 | -57.7 | 0 | 0 | 0 | 0 | 112 | C73 R78 H86 C93 | C73-C76 HydrophobicContact CB-CB 3.95Å; C73-C76 PolarHBondContact O-N 2.73Å; C76-R78 WeakPolarHBondContact O-CG 3.31Å; C76-R78 PolarHBondContact O-N 2.74Å; C76-H86 PolarHBondContact SG-ND1 3.49Å; C76-C93 WeakPolarHBondContact CB-SG 3.45Å; C76-C93 WeakPolarHBondContact SG-CB 3.48Å; C76-C93 CovalentContact SG-SG 2.09Å; C76-C93 PolarHBondContact SG-SG 3.21Å |
| 77 | N | 96.2 | Very high | 95.8 | Very high | 95 Ų | 95 | 33.7 Ų | 33.7 | 51% | 0.508 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 34 | -174.1 | -162.4 | 36.8 | 0 | 0 | 0 | 114.3 | I61 C73 K75 | I61-N77 VanDerWaalsContact CG2-OD1 3.3Å; I61-N77 WeakPolarHBondContact CG2-OD1 3.26Å; C73-N77 WeakPolarHBondContact O-CA 3.37Å; C73-N77 PolarHBondContact O-N 3.07Å; K75-N77 PolarHBondContact O-N 3.15Å |
| 78 | R | 97 | Very high | 95.8 | Very high | 72 Ų | 72 | 36.7 Ų | 36.7 | 27% | 0.272 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 153.2 | -173.8 | -69.7 | -62.1 | -62.4 | -140.3 | 0 | 111 | C40 L41 C73 C76 | C40-R78 HydrophobicContact CB-CB 4.5Å; L41-R78 PolarHBondContact O-NH2 3.29Å; C73-R78 PolarHBondContact N-O 3.4Å; C73-R78 PolarHBondContact O-N 3.27Å; C76-R78 WeakPolarHBondContact O-CG 3.31Å; C76-R78 PolarHBondContact O-N 2.74Å |
| 79 | C | 97.9 | Very high | 95.9 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.02 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 123.5 | 165 | -71.9 | 0 | 0 | 0 | 0 | 109.7 | C40 L41 C62 T70 H71 | C40-C79 CarbonylContact C-O 3.45Å; C40-C79 VanDerWaalsContact CA-O 3.27Å; C40-C79 WeakPolarHBondContact CA-O 3.41Å; L41-C79 HydrophobicContact CB-CB 4.06Å; L41-C79 PolarHBondContact N-O 3.08Å; C62-C79 PolarHBondContact SG-N 2.76Å; C62-C79 VanDerWaalsContact SG-SG 3.64Å; T70-C79 HydrophobicContact CG2-CB 3.66Å; H71-C79 WeakPolarHBondContact O-CA 3.25Å |
| 80 | V | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 125.2 | -178.9 | 170.9 | 0 | 0 | 0 | 0 | 109.1 | P38 T70 H71 M83 C93 | P38-V80 HydrophobicContact CB-CG1 3.66Å; P38-V80 HydrophobicContact CB-CG2 4.19Å; P38-V80 HydrophobicContact CG-CG1 4.28Å; P38-V80 HydrophobicContact CG-CG2 3.94Å; T70-V80 WeakPolarHBondContact CA-O 3.4Å; T70-V80 WeakPolarHBondContact CG2-O 3.43Å; H71-V80 PolarHBondContact N-O 2.7Å; H71-V80 PolarHBondContact O-N 3.42Å; V80-M83 HydrophobicContact CB-CB 3.97Å; V80-M83 HydrophobicContact CB-CG 4.16Å; V80-M83 HydrophobicContact CB-SD 4.39Å; V80-M83 HydrophobicContact CG1-CB 3.88Å; V80-M83 HydrophobicContact CG1-CG 4.15Å; V80-C93 HydrophobicContact CG1-CB 4.44Å; V80-C93 HydrophobicContact CG2-CB 3.91Å |
| 81 | L | 97.5 | Very high | 95.9 | Very high | 14 Ų | 14 | 52.3 Ų | 52.3 | 7% | 0.073 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 136 | 175.1 | -61.3 | 175.4 | 0 | 0 | 0 | 109.6 | G39 L41 T70 M83 F96 G228 I229 | G39-L81 WeakPolarHBondContact O-CB 3.41Å; G39-L81 WeakPolarHBondContact O-CG 3.11Å; G39-L81 PolarHBondContact O-N 2.66Å; L41-L81 HydrophobicContact CB-CD2 3.86Å; L41-L81 HydrophobicContact CB-CG 4.43Å; L41-L81 HydrophobicContact CD1-CD2 3.54Å; L41-L81 HydrophobicContact CG-CD2 4.24Å; T70-L81 WeakPolarHBondContact OG1-CD2 3.34Å; L81-M83 PolarHBondContact O-N 3.46Å; L81-M83 VanDerWaalsContact O-N 3.16Å; L81-F96 HydrophobicContact CB-CB 3.84Å; L81-F96 HydrophobicContact CD1-CD1 4.39Å; L81-F96 WeakPolarHBondContact O-CB 3.48Å; L81-F96 PolarHBondContact O-N 3.3Å; L81-G228 WeakPolarHBondContact CD2-O 3.22Å; L81-I229 HydrophobicContact CD2-CG1 4.32Å |
| 82 | K | 96.6 | Very high | 96 | Very high | 6 Ų | 6 | 51.9 Ų | 51.9 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 43.4 | 48.9 | -177.7 | -159.4 | -166.1 | 179 | -168.3 | 0 | 112.4 | R69 D84 G95 F96 T183 W231 | R69-K82 WeakPolarHBondContact O-CA 3.34Å; R69-K82 PolarHBondContact O-N 3.15Å; K82-D84 PolarHBondContact O-N 2.95Å; K82-G95 WeakPolarHBondContact O-CA 3.31Å; K82-F96 HydrophobicContact CB-CB 3.89Å; K82-F96 HydrophobicContact CD-CD2 4.43Å; K82-T183 HydrophobicContact CG-CG2 3.88Å; K82-W231 HydrophobicContact CB-CH2 3.63Å; K82-W231 HydrophobicContact CB-CZ2 3.75Å; K82-W231 HydrophobicContact CD-CH2 3.65Å; K82-W231 HydrophobicContact CD-CZ2 4.45Å; K82-W231 HydrophobicContact CD-CZ3 3.97Å; K82-W231 HydrophobicContact CG-CH2 3.88Å; K82-W231 HydrophobicContact CG-CZ2 4.19Å |
| 83 | M | 97.6 | Very high | 96 | Very high | 16 Ų | 16 | 50 Ų | 50 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | trans | -63.1 | 123.4 | -173.5 | -177 | 178 | 169.2 | 0 | 0 | 110.6 | R69 H71 C73 V80 L81 T183 I185 | R69-M83 PolarHBondContact O-N 2.76Å; H71-M83 HydrophobicContact CB-CB 3.92Å; H71-M83 HydrophobicContact CB-CG 4.33Å; H71-M83 HydrophobicContact CB-SD 3.67Å; C73-M83 HydrophobicContact CB-CE 3.63Å; C73-M83 HydrophobicContact CB-SD 3.88Å; V80-M83 HydrophobicContact CB-CB 3.97Å; V80-M83 HydrophobicContact CB-CG 4.16Å; V80-M83 HydrophobicContact CB-SD 4.39Å; V80-M83 HydrophobicContact CG1-CB 3.88Å; V80-M83 HydrophobicContact CG1-CG 4.15Å; L81-M83 PolarHBondContact O-N 3.46Å; L81-M83 VanDerWaalsContact O-N 3.16Å; M83-T183 WeakPolarHBondContact O-CB 3.4Å; M83-T183 PolarHBondContact O-OG1 3.46Å; M83-I185 HydrophobicContact CB-CD1 4.29Å; M83-I185 HydrophobicContact CG-CD1 4.06Å; M83-I185 HydrophobicContact SD-CD1 4.23Å | ||
| 84 | D | 96.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -88.9 | -64.8 | 172.9 | -167.3 | 63.5 | 0 | 0 | 0 | 111.1 | K82 C94 Q174 T183 S184 | K82-D84 PolarHBondContact O-N 2.95Å; D84-C94 HydrophobicContact CB-CB 4.44Å; D84-C94 PolarHBondContact N-O 3.11Å; D84-Q174 PolarHBondContact OD2-NE2 2.89Å; D84-T183 VanDerWaalsContact OD1-CA 3.23Å; D84-T183 WeakPolarHBondContact OD1-CA 3.27Å; D84-T183 WeakPolarHBondContact OD1-CB 3.39Å; D84-S184 PolarHBondContact O-OG 3.43Å; D84-S184 PolarHBondContact OD1-N 2.89Å | ||
| 85 | H | 95.4 | Very high | 96.2 | Very high | 48 Ų | 48 | 42 Ų | 42 | 22% | 0.222 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 168.2 | 176 | 62.8 | -76.8 | 0 | 0 | 0 | 110 | C87 C94 F102 | H85-C87 WeakPolarHBondContact NE2-CB 3.35Å; H85-C94 PolarHBondContact O-N 2.94Å; H85-F102 AromaticContact CE1-CE1 3.71Å; H85-F102 AromaticContact CE1-CZ 3.85Å; H85-F102 AromaticContact NE2-CZ 3.85Å |
| 86 | H | 96.7 | Very high | 96.4 | Very high | 27 Ų | 27 | 37.2 Ų | 37.2 | 13% | 0.125 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 116.5 | 164.6 | -177.2 | 94.1 | 0 | 0 | 0 | 108.8 | K75 C76 P88 C93 | K75-H86 WeakPolarHBondContact CD-CD2 3.31Å; K75-H86 VanDerWaalsContact CD-NE2 3.34Å; K75-H86 WeakPolarHBondContact CD-NE2 3.25Å; C76-H86 PolarHBondContact SG-ND1 3.49Å; H86-P88 WeakPolarHBondContact O-CD 3.42Å; H86-C93 PolarHBondContact ND1-SG 3.16Å; H86-C93 VanDerWaalsContact ND1-SG 3.39Å |
| 87 | C | 96 | Very high | 96.4 | Very high | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.034 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 114.9 | -175.1 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | H85 W89 I90 N91 N92 | H85-C87 WeakPolarHBondContact NE2-CB 3.35Å; C87-W89 PolarHBondContact O-N 2.69Å; C87-I90 HydrophobicContact CB-CD1 4.07Å; C87-I90 HydrophobicContact CB-CG1 3.77Å; C87-N91 PolarHBondContact O-N 3.18Å; C87-N92 PolarHBondContact N-O 3.02Å; C87-N92 PolarHBondContact O-N 3.11Å |
| 88 | P | 94.5 | Very high | 96.4 | Very high | 67 Ų | 67 | 37.5 Ų | 37.5 | 44% | 0.435 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -61.8 | -31 | 177.6 | -22.7 | 34.7 | 0 | 0 | 0 | 113.1 | H86 I90 N91 Q308 | H86-P88 WeakPolarHBondContact O-CD 3.42Å; P88-I90 VanDerWaalsContact C-N 3.34Å; P88-I90 PolarHBondContact O-N 2.71Å; P88-N91 PolarHBondContact O-N 3.43Å; P88-N91 VanDerWaalsContact O-N 3.08Å; P88-Q308 VanDerWaalsContact CG-NE2 3.3Å |
| 89 | W | 93.2 | Very high | 96.4 | Very high | 207 Ų | 207 | 34.2 Ų | 34.2 | 78% | 0.784 | 16% | 0.158 | S | C | * | . | G | 310 helix | trans | -69.9 | -28.6 | -173.8 | -53.8 | 114 | 0 | 0 | 0 | 114 | C87 | C87-W89 PolarHBondContact O-N 2.69Š|
| 90 | I | 94.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -101.9 | 3.6 | 172.7 | 68.9 | 175.7 | 0 | 0 | 0 | 111.4 | F30 S33 V34 C87 P88 N92 F102 | F30-I90 HydrophobicContact CD2-CG2 4.3Å; F30-I90 HydrophobicContact CE2-CG2 4.03Å; S33-I90 WeakPolarHBondContact OG-CG2 3.11Å; V34-I90 HydrophobicContact CG2-CB 3.82Å; V34-I90 HydrophobicContact CG2-CG2 4.41Å; C87-I90 HydrophobicContact CB-CD1 4.07Å; C87-I90 HydrophobicContact CB-CG1 3.77Å; P88-I90 VanDerWaalsContact C-N 3.34Å; P88-I90 PolarHBondContact O-N 2.71Å; I90-N92 HydrophobicContact CD1-CB 4.22Å; I90-N92 HydrophobicContact CG1-CB 4.03Å; I90-N92 PolarHBondContact O-N 2.98Å; I90-F102 HydrophobicContact CD1-CD2 4.26Å; I90-F102 HydrophobicContact CG2-CD2 4.39Å |
| 91 | N | 95.4 | Very high | 96.3 | Very high | 135 Ų | 135 | 39.2 Ų | 39.2 | 72% | 0.722 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 45.2 | 37.4 | -173.3 | -166.2 | 29.1 | 0 | 0 | 0 | 113.6 | C87 P88 | C87-N91 PolarHBondContact O-N 3.18Å; P88-N91 PolarHBondContact O-N 3.43Å; P88-N91 VanDerWaalsContact O-N 3.08Å |
| 92 | N | 95.7 | Very high | 96.3 | Very high | 29 Ų | 29 | 39 Ų | 39 | 16% | 0.155 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 162.9 | -174.5 | -153.9 | -9.6 | 0 | 0 | 0 | 111 | V34 C87 I90 | V34-N92 PolarHBondContact O-ND2 3.36Å; C87-N92 PolarHBondContact N-O 3.02Å; C87-N92 PolarHBondContact O-N 3.11Å; I90-N92 HydrophobicContact CD1-CB 4.22Å; I90-N92 HydrophobicContact CG1-CB 4.03Å; I90-N92 PolarHBondContact O-N 2.98Å |
| 93 | C | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 142 | 169 | -69.8 | 0 | 0 | 0 | 0 | 110.1 | P38 C73 C76 V80 H86 N98 | P38-C93 HydrophobicContact CB-CB 3.69Å; P38-C93 WeakPolarHBondContact CB-O 3.31Å; P38-C93 HydrophobicContact CG-CB 3.9Å; C73-C93 WeakPolarHBondContact CB-SG 3.21Å; C73-C93 PolarHBondContact SG-SG 3.45Å; C76-C93 WeakPolarHBondContact CB-SG 3.45Å; C76-C93 WeakPolarHBondContact SG-CB 3.48Å; C76-C93 CovalentContact SG-SG 2.09Å; C76-C93 PolarHBondContact SG-SG 3.21Å; V80-C93 HydrophobicContact CG1-CB 4.44Å; V80-C93 HydrophobicContact CG2-CB 3.91Å; H86-C93 PolarHBondContact ND1-SG 3.16Å; H86-C93 VanDerWaalsContact ND1-SG 3.39Å; C93-N98 PolarHBondContact O-ND2 3.47Å |
| 94 | C | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 121.1 | 164.6 | -174.6 | 0 | 0 | 0 | 0 | 107.7 | D84 H85 N98 | D84-C94 HydrophobicContact CB-CB 4.44Å; D84-C94 PolarHBondContact N-O 3.11Å; H85-C94 PolarHBondContact O-N 2.94Å; C94-N98 WeakPolarHBondContact CA-OD1 3.5Å |
| 95 | G | 97.2 | Very high | 96.4 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | trans | -152.7 | -163.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P38 K82 R97 N98 Q99 | P38-G95 CarbonylContact O-C 3.57Å; P38-G95 VanDerWaalsContact O-C 3.3Å; K82-G95 WeakPolarHBondContact O-CA 3.31Å; G95-R97 VanDerWaalsContact C-N 3.28Å; G95-R97 PolarHBondContact O-N 3.18Å; G95-R97 VanDerWaalsContact O-N 3.14Å; G95-N98 PolarHBondContact N-OD1 2.87Å; G95-N98 PolarHBondContact O-N 3.3Å; G95-N98 PolarHBondContact O-OD1 3Å; G95-Q99 VanDerWaalsContact O-CB 3.26Å; G95-Q99 WeakPolarHBondContact O-CB 3.45Å; G95-Q99 PolarHBondContact O-N 3.5Å | ||
| 96 | F | 97.1 | Very high | 96.6 | Very high | 21 Ų | 21 | 39.8 Ų | 39.8 | 9% | 0.092 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | -45.4 | -173.9 | 178 | -126.7 | 0 | 0 | 0 | 114.5 | P38 L81 K82 P224 I225 G226 W231 | P38-F96 PolarHBondContact O-N 3.39Å; P38-F96 VanDerWaalsContact O-N 3.12Å; L81-F96 HydrophobicContact CB-CB 3.84Å; L81-F96 HydrophobicContact CD1-CD1 4.39Å; L81-F96 WeakPolarHBondContact O-CB 3.48Å; L81-F96 PolarHBondContact O-N 3.3Å; K82-F96 HydrophobicContact CB-CB 3.89Å; K82-F96 HydrophobicContact CD-CD2 4.43Å; F96-P224 HydrophobicContact CD1-CB 4.19Å; F96-P224 HydrophobicContact CD2-CB 3.87Å; F96-P224 HydrophobicContact CE1-CB 3.7Å; F96-P224 HydrophobicContact CE1-CG 4.46Å; F96-P224 HydrophobicContact CE2-CB 3.38Å; F96-P224 HydrophobicContact CG-CB 4.28Å; F96-P224 HydrophobicContact CZ-CB 3.28Å; F96-P224 HydrophobicContact CZ-CG 4.45Å; F96-P224 WeakPolarHBondContact O-CG 3.26Å; F96-I225 WeakPolarHBondContact CE2-O 3.47Å; F96-I225 WeakPolarHBondContact CZ-O 3.45Å; F96-G226 WeakPolarHBondContact CZ-O 3.32Å; F96-W231 AromaticContact CD2-CH2 3.4Å; F96-W231 HydrophobicContact CD2-CH2 3.4Å; F96-W231 VanDerWaalsContact CD2-CH2 3.4Å; F96-W231 HydrophobicContact CD2-CZ2 4.49Å; F96-W231 AromaticContact CD2-CZ3 3.92Å; F96-W231 HydrophobicContact CD2-CZ3 3.92Å; F96-W231 AromaticContact CE2-CH2 3.64Å; F96-W231 HydrophobicContact CE2-CH2 3.64Å; F96-W231 AromaticContact CE2-CZ3 3.77Å; F96-W231 HydrophobicContact CE2-CZ3 3.77Å; F96-W231 HydrophobicContact CG-CH2 4.11Å |
| 97 | R | 95.8 | Very high | 96.7 | Very high | 134 Ų | 134 | 42.8 Ų | 42.8 | 51% | 0.506 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -29.1 | -171.2 | -71 | -174.8 | 68.2 | 169.7 | -2.4 | 115.1 | V36 G37 P38 G39 G95 | V36-R97 HydrophobicContact CG1-CB 4.36Å; G37-R97 WeakPolarHBondContact O-CB 3.21Å; P38-R97 PolarHBondContact O-N 2.83Å; G39-R97 VanDerWaalsContact CA-CD 3.49Å; G95-R97 VanDerWaalsContact C-N 3.28Å; G95-R97 PolarHBondContact O-N 3.18Å; G95-R97 VanDerWaalsContact O-N 3.14Å |
| 98 | N | 96.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | -1.3 | -173.9 | 68.3 | -12.7 | 0 | 0 | 0 | 114.8 | S33 G37 C93 C94 G95 R100 F101 F102 | S33-N98 PolarHBondContact O-ND2 2.87Å; G37-N98 WeakPolarHBondContact O-CB 3.38Å; C93-N98 PolarHBondContact O-ND2 3.47Å; C94-N98 WeakPolarHBondContact CA-OD1 3.5Å; G95-N98 PolarHBondContact N-OD1 2.87Å; G95-N98 PolarHBondContact O-N 3.3Å; G95-N98 PolarHBondContact O-OD1 3Å; N98-R100 PolarHBondContact O-N 3.24Å; N98-F101 PolarHBondContact O-N 3.36Å; N98-F101 VanDerWaalsContact O-N 3.16Å; N98-F102 PolarHBondContact O-N 3.22Å |
| 99 | Q | 96.6 | Very high | 97 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.019 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -54 | -40.9 | 179 | -176.7 | 173.5 | 37.1 | 0 | 0 | 112.4 | G95 F102 V103 V217 | G95-Q99 VanDerWaalsContact O-CB 3.26Å; G95-Q99 WeakPolarHBondContact O-CB 3.45Å; G95-Q99 PolarHBondContact O-N 3.5Å; Q99-F102 PolarHBondContact O-N 3.36Å; Q99-V103 HydrophobicContact CG-CG2 4.47Å; Q99-V103 WeakPolarHBondContact O-CG2 3.5Å; Q99-V103 PolarHBondContact O-N 3.48Å; Q99-V217 HydrophobicContact CG-CG1 4.26Å; Q99-V217 HydrophobicContact CG-CG2 4.47Å |
| 100 | R | 96.7 | Very high | 97.2 | Very high | 59 Ų | 59 | 34.3 Ų | 34.3 | 22% | 0.223 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.1 | -52.9 | 177.4 | -176.8 | -170.7 | 171.3 | 99.6 | -1.1 | 111.8 | N98 F102 V103 M104 V217 F218 N219 | N98-R100 PolarHBondContact O-N 3.24Å; R100-F102 VanDerWaalsContact C-N 3.32Å; R100-F102 PolarHBondContact O-N 3.44Å; R100-V103 PolarHBondContact O-N 3.04Å; R100-M104 WeakPolarHBondContact O-CB 3.41Å; R100-M104 WeakPolarHBondContact O-CG 3.3Å; R100-M104 PolarHBondContact O-N 2.83Å; R100-V217 HydrophobicContact CB-CG1 3.96Å; R100-F218 HydrophobicContact CG-CD1 3.91Å; R100-F218 HydrophobicContact CG-CE1 3.53Å; R100-F218 HydrophobicContact CG-CZ 4.33Å; R100-N219 PolarHBondContact NH1-O 3.41Å |
| 101 | F | 97.1 | Very high | 97.4 | Very high | 49 Ų | 49 | 36.6 Ų | 36.6 | 22% | 0.215 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64 | -39.7 | -178.9 | -58.2 | -62.3 | 0 | 0 | 0 | 111.3 | A32 V36 N98 M104 F105 | A32-F101 HydrophobicContact CB-CB 3.92Å; A32-F101 HydrophobicContact CB-CD1 3.53Å; A32-F101 HydrophobicContact CB-CD2 3.98Å; A32-F101 HydrophobicContact CB-CE1 4Å; A32-F101 HydrophobicContact CB-CE2 4.43Å; A32-F101 HydrophobicContact CB-CG 3.53Å; A32-F101 HydrophobicContact CB-CZ 4.43Å; V36-F101 HydrophobicContact CB-CD2 4.47Å; V36-F101 HydrophobicContact CB-CE2 4.33Å; V36-F101 HydrophobicContact CG1-CE2 4.23Å; V36-F101 HydrophobicContact CG2-CD2 4.17Å; V36-F101 HydrophobicContact CG2-CE2 3.81Å; N98-F101 PolarHBondContact O-N 3.36Å; N98-F101 VanDerWaalsContact O-N 3.16Å; F101-M104 PolarHBondContact O-N 3.37Å; F101-F105 VanDerWaalsContact O-CB 3.3Å; F101-F105 WeakPolarHBondContact O-CB 3.36Å; F101-F105 PolarHBondContact O-N 2.8Å |
| 102 | F | 97.5 | Very high | 97.5 | Very high | 9 Ų | 9 | 30.4 Ų | 30.4 | 4% | 0.039 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.3 | -48.6 | 175.4 | -179.7 | -105.6 | 0 | 0 | 0 | 111.9 | H85 I90 N98 Q99 R100 M104 F105 L106 Q174 | H85-F102 AromaticContact CE1-CE1 3.71Å; H85-F102 AromaticContact CE1-CZ 3.85Å; H85-F102 AromaticContact NE2-CZ 3.85Å; I90-F102 HydrophobicContact CD1-CD2 4.26Å; I90-F102 HydrophobicContact CG2-CD2 4.39Å; N98-F102 PolarHBondContact O-N 3.22Å; Q99-F102 PolarHBondContact O-N 3.36Å; R100-F102 VanDerWaalsContact C-N 3.32Å; R100-F102 PolarHBondContact O-N 3.44Å; F102-M104 PolarHBondContact O-N 3.27Å; F102-F105 HydrophobicContact CD2-CD1 4.48Å; F102-F105 WeakPolarHBondContact O-CB 3.43Å; F102-F105 PolarHBondContact O-N 2.82Å; F102-L106 HydrophobicContact CD1-CD1 4.22Å; F102-L106 HydrophobicContact CE1-CD1 3.68Å; F102-L106 HydrophobicContact CE1-CG 4.34Å; F102-L106 HydrophobicContact CE2-CD2 4.39Å; F102-L106 HydrophobicContact CZ-CD1 3.98Å; F102-L106 HydrophobicContact CZ-CD2 4.2Å; F102-L106 HydrophobicContact CZ-CG 4.33Å; F102-L106 WeakPolarHBondContact O-CG 3.31Å; F102-L106 PolarHBondContact O-N 3.27Å; F102-L106 VanDerWaalsContact O-N 3.09Å; F102-Q174 HydrophobicContact CE1-CG 4.08Å |
| 103 | V | 97.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.018 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.8 | -38.9 | 178.9 | 176.2 | 0 | 0 | 0 | 0 | 111.7 | Q99 R100 L106 F107 L171 Q174 L175 L178 F218 | Q99-V103 HydrophobicContact CG-CG2 4.47Å; Q99-V103 WeakPolarHBondContact O-CG2 3.5Å; Q99-V103 PolarHBondContact O-N 3.48Å; R100-V103 PolarHBondContact O-N 3.04Å; V103-L106 PolarHBondContact O-N 3.03Å; V103-F107 PolarHBondContact O-N 3.34Å; V103-L171 HydrophobicContact CG1-CD1 4.31Å; V103-Q174 HydrophobicContact CG2-CB 4.27Å; V103-L175 HydrophobicContact CG1-CD2 4.24Å; V103-L178 HydrophobicContact CG2-CD1 4.47Å; V103-F218 HydrophobicContact CB-CE2 4.19Å; V103-F218 HydrophobicContact CB-CZ 3.83Å; V103-F218 HydrophobicContact CG1-CE2 3.79Å; V103-F218 HydrophobicContact CG1-CZ 3.69Å |
| 104 | M | 97.6 | Very high | 97.5 | Very high | 47 Ų | 47 | 33.4 Ų | 33.4 | 23% | 0.232 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.5 | -37.5 | 175.5 | -77.3 | -71.4 | 171.4 | 0 | 0 | 112.7 | N29 R100 F101 F102 F107 W108 F218 | N29-M104 HydrophobicContact CB-CB 4.15Å; N29-M104 WeakPolarHBondContact OD1-CB 3.27Å; R100-M104 WeakPolarHBondContact O-CB 3.41Å; R100-M104 WeakPolarHBondContact O-CG 3.3Å; R100-M104 PolarHBondContact O-N 2.83Å; F101-M104 PolarHBondContact O-N 3.37Å; F102-M104 PolarHBondContact O-N 3.27Å; M104-F107 PolarHBondContact O-N 3.21Å; M104-W108 PolarHBondContact O-N 3.26Å; M104-F218 HydrophobicContact CE-CD1 3.54Å; M104-F218 HydrophobicContact CE-CE1 3.09Å; M104-F218 HydrophobicContact CE-CZ 3.83Å; M104-F218 HydrophobicContact CG-CE1 3.59Å; M104-F218 HydrophobicContact CG-CZ 4.04Å; M104-F218 HydrophobicContact SD-CE1 4.09Å |
| 105 | F | 98 | Very high | 97.5 | Very high | 33 Ų | 33 | 34.6 Ų | 34.6 | 15% | 0.145 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.3 | -48.2 | 171.5 | 158.3 | -113.6 | 0 | 0 | 0 | 111 | V26 N29 F30 F101 F102 F107 S109 | V26-F105 HydrophobicContact CG1-CD2 4.14Å; V26-F105 HydrophobicContact CG1-CE2 4.17Å; N29-F105 HydrophobicContact CB-CB 3.95Å; F30-F105 HydrophobicContact CB-CD2 3.68Å; F30-F105 HydrophobicContact CB-CE2 4Å; F30-F105 HydrophobicContact CB-CG 4.27Å; F30-F105 HydrophobicContact CD2-CD2 4.15Å; F30-F105 HydrophobicContact CD2-CE1 4.23Å; F30-F105 AromaticContact CD2-CE2 3.82Å; F30-F105 HydrophobicContact CD2-CE2 3.82Å; F30-F105 HydrophobicContact CD2-CG 4.49Å; F30-F105 AromaticContact CD2-CZ 3.86Å; F30-F105 HydrophobicContact CD2-CZ 3.86Å; F30-F105 HydrophobicContact CG-CD2 4.39Å; F30-F105 HydrophobicContact CG-CE2 4.29Å; F101-F105 VanDerWaalsContact O-CB 3.3Å; F101-F105 WeakPolarHBondContact O-CB 3.36Å; F101-F105 PolarHBondContact O-N 2.8Å; F102-F105 HydrophobicContact CD2-CD1 4.48Å; F102-F105 WeakPolarHBondContact O-CB 3.43Å; F102-F105 PolarHBondContact O-N 2.82Å; F105-F107 PolarHBondContact O-N 3.04Å; F105-S109 WeakPolarHBondContact CD2-OG 3.47Å; F105-S109 VanDerWaalsContact CE2-OG 3.26Å; F105-S109 WeakPolarHBondContact CE2-OG 3.39Å; F105-S109 VanDerWaalsContact O-CB 3.26Å; F105-S109 WeakPolarHBondContact O-CB 3.48Å; F105-S109 PolarHBondContact O-N 2.98Å; F105-S109 PolarHBondContact O-OG 2.89Å |
| 106 | L | 98.3 | Very high | 97.4 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.3 | -44.6 | 176.9 | -59.2 | 178 | 0 | 0 | 0 | 111.5 | F102 V103 S109 V110 V167 L170 L171 Q174 | F102-L106 HydrophobicContact CD1-CD1 4.22Å; F102-L106 HydrophobicContact CE1-CD1 3.68Å; F102-L106 HydrophobicContact CE1-CG 4.34Å; F102-L106 HydrophobicContact CE2-CD2 4.39Å; F102-L106 HydrophobicContact CZ-CD1 3.98Å; F102-L106 HydrophobicContact CZ-CD2 4.2Å; F102-L106 HydrophobicContact CZ-CG 4.33Å; F102-L106 WeakPolarHBondContact O-CG 3.31Å; F102-L106 PolarHBondContact O-N 3.27Å; F102-L106 VanDerWaalsContact O-N 3.09Å; V103-L106 PolarHBondContact O-N 3.03Å; L106-S109 PolarHBondContact O-N 2.79Å; L106-V110 WeakPolarHBondContact O-CG2 3.42Å; L106-V110 PolarHBondContact O-N 2.84Å; L106-V167 HydrophobicContact CB-CG1 4.07Å; L106-V167 HydrophobicContact CD2-CG1 3.7Å; L106-V167 HydrophobicContact CG-CG1 4.47Å; L106-L170 HydrophobicContact CD1-CB 4.41Å; L106-L171 HydrophobicContact CB-CB 4.16Å; L106-L171 HydrophobicContact CB-CD1 3.97Å; L106-Q174 HydrophobicContact CD1-CB 4.44Å; L106-Q174 HydrophobicContact CD1-CG 4Å |
| 107 | F | 98.4 | Very high | 97.3 | Very high | 90 Ų | 90 | 36.1 Ų | 36.1 | 40% | 0.395 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.4 | -56 | -179.7 | 175.7 | -98 | 0 | 0 | 0 | 112 | V103 M104 F105 S109 V110 V111 L171 | V103-F107 PolarHBondContact O-N 3.34Å; M104-F107 PolarHBondContact O-N 3.21Å; F105-F107 PolarHBondContact O-N 3.04Å; F107-S109 VanDerWaalsContact C-N 3.26Å; F107-S109 PolarHBondContact O-N 3.01Å; F107-V110 PolarHBondContact O-N 2.92Å; F107-V111 HydrophobicContact CD1-CG2 4.34Å; F107-V111 HydrophobicContact CE1-CG2 3.9Å; F107-V111 HydrophobicContact CE2-CG2 4.16Å; F107-V111 HydrophobicContact CZ-CG2 3.81Å; F107-V111 WeakPolarHBondContact O-CG2 3.47Å; F107-V111 PolarHBondContact O-N 3.09Å; F107-L171 HydrophobicContact CB-CD1 4.16Å; F107-L171 HydrophobicContact CB-CD2 4.39Å; F107-L171 HydrophobicContact CD2-CD2 4.33Å |
| 108 | W | 98.5 | Very high | 97.2 | Very high | 63 Ų | 63 | 33.4 Ų | 33.4 | 24% | 0.239 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.1 | -28.6 | -178.7 | -70.7 | 115 | 0 | 0 | 0 | 112.3 | V22 L25 V26 M104 V111 G112 | V22-W108 HydrophobicContact CG1-CE3 4.08Å; V22-W108 HydrophobicContact CG2-CE3 4.12Å; V22-W108 HydrophobicContact CG2-CZ3 3.99Å; L25-W108 HydrophobicContact CB-CB 4.38Å; L25-W108 HydrophobicContact CB-CD2 4.02Å; L25-W108 HydrophobicContact CB-CG 3.88Å; L25-W108 HydrophobicContact CD1-CD2 3.99Å; L25-W108 HydrophobicContact CD1-CE3 4.16Å; L25-W108 HydrophobicContact CD1-CH2 3.91Å; L25-W108 HydrophobicContact CD1-CZ2 3.73Å; L25-W108 HydrophobicContact CD1-CZ3 4.12Å; V26-W108 HydrophobicContact CG2-CB 3.63Å; V26-W108 VanDerWaalsContact CG2-O 3.32Å; V26-W108 WeakPolarHBondContact CG2-O 3.46Å; M104-W108 PolarHBondContact O-N 3.26Å; W108-V111 HydrophobicContact CE3-CB 4.16Å; W108-V111 HydrophobicContact CE3-CG1 4.09Å; W108-V111 HydrophobicContact CZ3-CG1 4.11Å; W108-V111 PolarHBondContact O-N 3.46Å; W108-G112 PolarHBondContact O-N 2.67Å |
| 109 | S | 98.2 | Very high | 97 | Very high | 12 Ų | 12 | 34.7 Ų | 34.7 | 8% | 0.084 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64 | -42.6 | 174.6 | -61.7 | 0 | 0 | 0 | 0 | 111.4 | F105 L106 F107 C113 | F105-S109 WeakPolarHBondContact CD2-OG 3.47Å; F105-S109 VanDerWaalsContact CE2-OG 3.26Å; F105-S109 WeakPolarHBondContact CE2-OG 3.39Å; F105-S109 VanDerWaalsContact O-CB 3.26Å; F105-S109 WeakPolarHBondContact O-CB 3.48Å; F105-S109 PolarHBondContact O-N 2.98Å; F105-S109 PolarHBondContact O-OG 2.89Å; L106-S109 PolarHBondContact O-N 2.79Å; F107-S109 VanDerWaalsContact C-N 3.26Å; F107-S109 PolarHBondContact O-N 3.01Å; S109-C113 WeakPolarHBondContact O-CB 3Å; S109-C113 PolarHBondContact O-N 2.87Å; S109-C113 PolarHBondContact O-SG 2.83Å; S109-C113 VanDerWaalsContact O-SG 3.37Å |
| 110 | V | 98.4 | Very high | 96.7 | Very high | 25 Ų | 25 | 36.2 Ų | 36.2 | 15% | 0.152 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.5 | -46.6 | 176.2 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | L106 F107 G112 C113 V114 V167 L171 | L106-V110 WeakPolarHBondContact O-CG2 3.42Å; L106-V110 PolarHBondContact O-N 2.84Å; F107-V110 PolarHBondContact O-N 2.92Å; V110-G112 PolarHBondContact O-N 3.37Å; V110-C113 PolarHBondContact O-N 2.82Å; V110-V114 HydrophobicContact CG1-CG2 4.41Å; V110-V114 VanDerWaalsContact O-CG2 3.29Å; V110-V114 WeakPolarHBondContact O-CG2 3.41Å; V110-V114 PolarHBondContact O-N 3.42Å; V110-V167 HydrophobicContact CG2-CB 4.33Å; V110-V167 HydrophobicContact CG2-CG1 4.03Å; V110-L171 HydrophobicContact CB-CD2 4.49Å; V110-L171 HydrophobicContact CG2-CD2 4.19Å |
| 111 | V | 98.2 | Very high | 96.5 | Very high | 50 Ų | 50 | 37 Ų | 37 | 30% | 0.303 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.8 | -46.8 | 178.3 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | V22 F107 W108 V114 H115 | V22-V111 HydrophobicContact CG1-CG1 4.39Å; V22-V111 HydrophobicContact CG2-CG1 4.45Å; F107-V111 HydrophobicContact CD1-CG2 4.34Å; F107-V111 HydrophobicContact CE1-CG2 3.9Å; F107-V111 HydrophobicContact CE2-CG2 4.16Å; F107-V111 HydrophobicContact CZ-CG2 3.81Å; F107-V111 WeakPolarHBondContact O-CG2 3.47Å; F107-V111 PolarHBondContact O-N 3.09Å; W108-V111 HydrophobicContact CE3-CB 4.16Å; W108-V111 HydrophobicContact CE3-CG1 4.09Å; W108-V111 HydrophobicContact CZ3-CG1 4.11Å; W108-V111 PolarHBondContact O-N 3.46Å; V111-V114 PolarHBondContact O-N 3.02Å; V111-H115 WeakPolarHBondContact O-CB 3.46Å; V111-H115 PolarHBondContact O-N 3.1Å |
| 112 | G | 97.5 | Very high | 96.1 | Very high | 6 Ų | 6 | 38.3 Ų | 38.3 | 6% | 0.062 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.7 | -46 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V22 W108 V110 V114 H115 A116 | V22-G112 VanDerWaalsContact CG1-CA 3.43Å; W108-G112 PolarHBondContact O-N 2.67Å; V110-G112 PolarHBondContact O-N 3.37Å; G112-V114 PolarHBondContact O-N 3.48Å; G112-H115 PolarHBondContact O-N 2.98Å; G112-A116 WeakPolarHBondContact O-CB 3.38Å; G112-A116 PolarHBondContact O-N 3.31Å |
| 113 | C | 97.7 | Very high | 95.6 | Very high | 23 Ų | 23 | 38 Ų | 38 | 16% | 0.155 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.2 | -37.1 | 176.5 | -72.2 | 0 | 0 | 0 | 0 | 113 | S109 V110 A116 I117 V163 I164 | S109-C113 WeakPolarHBondContact O-CB 3Å; S109-C113 PolarHBondContact O-N 2.87Å; S109-C113 PolarHBondContact O-SG 2.83Å; S109-C113 VanDerWaalsContact O-SG 3.37Å; V110-C113 PolarHBondContact O-N 2.82Å; C113-A116 PolarHBondContact O-N 2.9Å; C113-I117 WeakPolarHBondContact O-CG1 3.46Å; C113-I117 PolarHBondContact O-N 2.94Å; C113-V163 VanDerWaalsContact SG-CG1 3.56Å; C113-I164 HydrophobicContact CB-CD1 3.9Å; C113-I164 HydrophobicContact CB-CG1 3.53Å |
| 114 | V | 97.6 | Very high | 95.2 | Very high | 68 Ų | 68 | 39.3 Ų | 39.3 | 41% | 0.412 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.3 | -46.8 | 174 | 169.4 | 0 | 0 | 0 | 0 | 110.2 | V110 V111 G112 A116 I117 V118 I164 | V110-V114 HydrophobicContact CG1-CG2 4.41Å; V110-V114 VanDerWaalsContact O-CG2 3.29Å; V110-V114 WeakPolarHBondContact O-CG2 3.41Å; V110-V114 PolarHBondContact O-N 3.42Å; V111-V114 PolarHBondContact O-N 3.02Å; G112-V114 PolarHBondContact O-N 3.48Å; V114-A116 VanDerWaalsContact C-N 3.34Å; V114-A116 PolarHBondContact O-N 3.11Å; V114-I117 PolarHBondContact O-N 3.29Å; V114-V118 WeakPolarHBondContact O-CG2 3.31Å; V114-V118 PolarHBondContact O-N 3.37Å; V114-I164 HydrophobicContact CG2-CD1 3.78Å; V114-I164 HydrophobicContact CG2-CG1 4.08Å |
| 115 | H | 96.1 | Very high | 94.7 | Very high | 26 Ų | 26 | 43.8 Ų | 43.8 | 12% | 0.12 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61 | -42.9 | 177.2 | -173.4 | -159 | 0 | 0 | 0 | 111.8 | N15 F19 V111 G112 I117 V118 I119 | N15-H115 PolarHBondContact OD1-NE2 3.41Å; F19-H115 AromaticContact CD2-ND1 3.9Å; V111-H115 WeakPolarHBondContact O-CB 3.46Å; V111-H115 PolarHBondContact O-N 3.1Å; G112-H115 PolarHBondContact O-N 2.98Å; H115-I117 PolarHBondContact O-N 3.23Å; H115-V118 PolarHBondContact O-N 3.14Å; H115-I119 WeakPolarHBondContact O-CG1 3.12Å; H115-I119 PolarHBondContact O-N 2.86Å |
| 116 | A | 95 | Very high | 93.9 | Very high | 18 Ų | 18 | 43.9 Ų | 43.9 | 15% | 0.149 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.8 | -45.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F19 G112 C113 V114 I119 L120 | F19-A116 HydrophobicContact CE2-CB 4.08Å; G112-A116 WeakPolarHBondContact O-CB 3.38Å; G112-A116 PolarHBondContact O-N 3.31Å; C113-A116 PolarHBondContact O-N 2.9Å; V114-A116 VanDerWaalsContact C-N 3.34Å; V114-A116 PolarHBondContact O-N 3.11Å; A116-I119 PolarHBondContact O-N 2.93Å; A116-L120 WeakPolarHBondContact O-CB 3.3Å; A116-L120 VanDerWaalsContact O-CG 3.26Å; A116-L120 WeakPolarHBondContact O-CG 3.48Å; A116-L120 PolarHBondContact O-N 2.68Å |
| 117 | I | 95.2 | Very high | 92.9 | Very high | 36 Ų | 36 | 43.8 Ų | 43.8 | 19% | 0.185 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.7 | -43.3 | 176.5 | -72 | -179.8 | 0 | 0 | 0 | 111 | C113 V114 H115 I119 L120 V121 L161 I164 | C113-I117 WeakPolarHBondContact O-CG1 3.46Å; C113-I117 PolarHBondContact O-N 2.94Å; V114-I117 PolarHBondContact O-N 3.29Å; H115-I117 PolarHBondContact O-N 3.23Å; I117-I119 VanDerWaalsContact C-N 3.34Å; I117-I119 PolarHBondContact O-N 3Å; I117-L120 PolarHBondContact O-N 3.12Å; I117-V121 HydrophobicContact CG2-CG2 3.93Å; I117-V121 WeakPolarHBondContact O-CB 3.21Å; I117-V121 VanDerWaalsContact O-CG2 3.27Å; I117-V121 WeakPolarHBondContact O-CG2 3.46Å; I117-V121 PolarHBondContact O-N 3.35Å; I117-L161 HydrophobicContact CD1-CB 4.25Å; I117-I164 HydrophobicContact CD1-CD1 3.43Å; I117-I164 VanDerWaalsContact CD1-CD1 3.43Å; I117-I164 HydrophobicContact CG1-CD1 4.37Å |
| 118 | V | 94.2 | Very high | 92.1 | Very high | 76 Ų | 76 | 41.4 Ų | 41.4 | 46% | 0.461 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.7 | -47.8 | 177.3 | 171.8 | 0 | 0 | 0 | 0 | 110.4 | V114 H115 L120 V121 L122 | V114-V118 WeakPolarHBondContact O-CG2 3.31Å; V114-V118 PolarHBondContact O-N 3.37Å; H115-V118 PolarHBondContact O-N 3.14Å; V118-L120 PolarHBondContact O-N 3.24Å; V118-V121 PolarHBondContact O-N 2.9Å; V118-L122 HydrophobicContact CG1-CD1 3.9Å; V118-L122 WeakPolarHBondContact O-CB 3.48Å; V118-L122 VanDerWaalsContact O-CG 3.23Å; V118-L122 WeakPolarHBondContact O-CG 3.48Å; V118-L122 PolarHBondContact O-N 2.09Å |
| 119 | I | 92.3 | Very high | 91.2 | Very high | 28 Ų | 28 | 44.6 Ų | 44.6 | 14% | 0.144 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.8 | -46.3 | 176.3 | -68 | 168.6 | 0 | 0 | 0 | 111.1 | W3 F19 H115 A116 I117 L122 A123 | W3-I119 HydrophobicContact CE3-CG2 4.24Å; F19-I119 HydrophobicContact CB-CD1 4.47Å; F19-I119 HydrophobicContact CD2-CD1 3.83Å; F19-I119 HydrophobicContact CE2-CD1 4.49Å; F19-I119 HydrophobicContact CG-CD1 4.34Å; H115-I119 WeakPolarHBondContact O-CG1 3.12Å; H115-I119 PolarHBondContact O-N 2.86Å; A116-I119 PolarHBondContact O-N 2.93Å; I117-I119 VanDerWaalsContact C-N 3.34Å; I117-I119 PolarHBondContact O-N 3Å; I119-L122 PolarHBondContact O-N 3.39Å; I119-A123 VanDerWaalsContact O-CB 3.29Å; I119-A123 WeakPolarHBondContact O-CB 3.34Å; I119-A123 PolarHBondContact O-N 3.32Å |
| 120 | L | 91.8 | Very high | 90 | Very high | 35 Ų | 35 | 46.1 Ų | 46.1 | 18% | 0.183 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.8 | -40.9 | -177.8 | -73.7 | 169.2 | 0 | 0 | 0 | 112.5 | A116 I117 V118 A123 L124 A156 | A116-L120 WeakPolarHBondContact O-CB 3.3Å; A116-L120 VanDerWaalsContact O-CG 3.26Å; A116-L120 WeakPolarHBondContact O-CG 3.48Å; A116-L120 PolarHBondContact O-N 2.68Å; I117-L120 PolarHBondContact O-N 3.12Å; V118-L120 PolarHBondContact O-N 3.24Å; L120-A123 PolarHBondContact O-N 3.37Å; L120-L124 WeakPolarHBondContact O-CB 3.49Å; L120-L124 WeakPolarHBondContact O-CD1 3.42Å; L120-L124 VanDerWaalsContact O-CG 3.23Å; L120-L124 WeakPolarHBondContact O-CG 3.28Å; L120-L124 PolarHBondContact O-N 3.06Å; L120-A156 HydrophobicContact CD1-CB 3.79Å |
| 121 | V | 91.2 | Very high | 88.4 | Confident | 77 Ų | 77 | 46.5 Ų | 46.5 | 47% | 0.467 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66 | -42.7 | 178.1 | 169 | 0 | 0 | 0 | 0 | 110.7 | I117 V118 L124 Y125 | I117-V121 HydrophobicContact CG2-CG2 3.93Å; I117-V121 WeakPolarHBondContact O-CB 3.21Å; I117-V121 VanDerWaalsContact O-CG2 3.27Å; I117-V121 WeakPolarHBondContact O-CG2 3.46Å; I117-V121 PolarHBondContact O-N 3.35Å; V118-V121 PolarHBondContact O-N 2.9Å; V121-L124 PolarHBondContact O-N 3.19Å; V121-Y125 WeakPolarHBondContact O-CB 3.33Å; V121-Y125 PolarHBondContact O-N 2.85Å |
| 122 | L | 89.5 | Confident | 86.6 | Confident | 75 Ų | 75 | 48.7 Ų | 48.7 | 39% | 0.393 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.4 | -39.2 | 176.4 | -65.1 | 172.8 | 0 | 0 | 0 | 111.7 | W3 V118 I119 Y125 D126 | W3-L122 HydrophobicContact CD2-CB 4.41Å; W3-L122 HydrophobicContact CE3-CB 4.39Å; W3-L122 HydrophobicContact CH2-CB 3.42Å; W3-L122 VanDerWaalsContact CH2-CB 3.42Å; W3-L122 HydrophobicContact CH2-CD1 3.51Å; W3-L122 HydrophobicContact CH2-CG 4.07Å; W3-L122 HydrophobicContact CZ2-CB 3.4Å; W3-L122 VanDerWaalsContact CZ2-CB 3.4Å; W3-L122 HydrophobicContact CZ2-CD1 4.25Å; W3-L122 HydrophobicContact CZ2-CG 4.36Å; W3-L122 HydrophobicContact CZ3-CB 3.92Å; W3-L122 HydrophobicContact CZ3-CD1 4.03Å; V118-L122 HydrophobicContact CG1-CD1 3.9Å; V118-L122 WeakPolarHBondContact O-CB 3.48Å; V118-L122 VanDerWaalsContact O-CG 3.23Å; V118-L122 WeakPolarHBondContact O-CG 3.48Å; V118-L122 PolarHBondContact O-N 2.09Å; I119-L122 PolarHBondContact O-N 3.39Å; L122-Y125 PolarHBondContact O-N 3.37Å; L122-D126 WeakPolarHBondContact O-CB 3.23Å; L122-D126 PolarHBondContact O-N 3.37Å |
| 123 | A | 87.5 | Confident | 84.8 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 3% | 0.033 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | W3 I119 L120 G127 I143 W149 | W3-A123 HydrophobicContact CB-CB 3.68Å; W3-A123 VanDerWaalsContact CD1-CA 3.5Å; W3-A123 HydrophobicContact CD2-CB 4.11Å; W3-A123 HydrophobicContact CG-CB 3.55Å; I119-A123 VanDerWaalsContact O-CB 3.29Å; I119-A123 WeakPolarHBondContact O-CB 3.34Å; I119-A123 PolarHBondContact O-N 3.32Å; L120-A123 PolarHBondContact O-N 3.37Å; A123-G127 PolarHBondContact O-N 3.18Å; A123-I143 HydrophobicContact CB-CD1 3.88Å; A123-W149 HydrophobicContact CB-CH2 4.25Å; A123-W149 HydrophobicContact CB-CZ2 4.04Å |
| 124 | L | 88.1 | Confident | 82.9 | Confident | 29 Ų | 29 | 62.1 Ų | 62.1 | 15% | 0.152 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.6 | -42 | 175.2 | -77.1 | 164.5 | 0 | 0 | 0 | 111.4 | L120 V121 A128 F145 W149 L150 | L120-L124 WeakPolarHBondContact O-CB 3.49Å; L120-L124 WeakPolarHBondContact O-CD1 3.42Å; L120-L124 VanDerWaalsContact O-CG 3.23Å; L120-L124 WeakPolarHBondContact O-CG 3.28Å; L120-L124 PolarHBondContact O-N 3.06Å; V121-L124 PolarHBondContact O-N 3.19Å; L124-A128 WeakPolarHBondContact O-CB 3.04Å; L124-A128 PolarHBondContact O-N 3.35Å; L124-F145 HydrophobicContact CD2-CE2 4.3Å; L124-W149 HydrophobicContact CD2-CH2 3.79Å; L124-W149 HydrophobicContact CD2-CZ3 3.56Å; L124-W149 HydrophobicContact CG-CH2 4.04Å; L124-W149 HydrophobicContact CG-CZ3 4.32Å; L124-L150 HydrophobicContact CD2-CD1 3.65Å |
| 125 | Y | 86.9 | Confident | 80.9 | Confident | 142 Ų | 142 | 66.9 Ų | 66.9 | 56% | 0.557 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.8 | -48.2 | 176.4 | 178.9 | -94.9 | 0 | 0 | 0 | 111.3 | V121 L122 A128 F129 | V121-Y125 WeakPolarHBondContact O-CB 3.33Å; V121-Y125 PolarHBondContact O-N 2.85Å; L122-Y125 PolarHBondContact O-N 3.37Å; Y125-A128 PolarHBondContact O-N 3.46Å; Y125-F129 AromaticContact CD2-CD2 3.51Å; Y125-F129 HydrophobicContact CD2-CD2 3.51Å; Y125-F129 AromaticContact CD2-CE2 3.97Å; Y125-F129 HydrophobicContact CD2-CE2 3.97Å; Y125-F129 HydrophobicContact CD2-CG 4.46Å; Y125-F129 AromaticContact CE2-CD2 3.72Å; Y125-F129 HydrophobicContact CE2-CD2 3.72Å; Y125-F129 HydrophobicContact CE2-CE2 4.28Å; Y125-F129 HydrophobicContact CE2-CG 4.3Å; Y125-F129 HydrophobicContact CG-CD2 4.16Å; Y125-F129 WeakPolarHBondContact O-CB 3.14Å; Y125-F129 WeakPolarHBondContact O-CD2 3.25Å; Y125-F129 PolarHBondContact O-N 3.09Å |
| 126 | D | 80.6 | Confident | 79 | Confident | 35 Ų | 35 | 69.3 Ų | 69.3 | 19% | 0.187 | 36% | 0.364 | C | S | . | . | I | π-helix | trans | -63.4 | -46 | -179.5 | -169.5 | 63.7 | 0 | 0 | 0 | 112.5 | L122 A128 T130 V131 | L122-D126 WeakPolarHBondContact O-CB 3.23Å; L122-D126 PolarHBondContact O-N 3.37Å; D126-A128 VanDerWaalsContact C-N 3.34Å; D126-A128 PolarHBondContact O-N 3.03Å; D126-T130 WeakPolarHBondContact O-CA 3.26Å; D126-T130 WeakPolarHBondContact O-CB 3.47Å; D126-T130 PolarHBondContact O-N 3.48Å; D126-T130 WeakPolarHBondContact OD1-CB 3.45Å; D126-T130 WeakPolarHBondContact OD1-CG2 3.25Å; D126-T130 PolarHBondContact OD1-OG1 2.88Å; D126-V131 PolarHBondContact O-N 3.17Å |
| 127 | G | 79.2 | Confident | 77.1 | Confident | 2 Ų | 2 | 77.5 Ų | 77.5 | 2% | 0.021 | 40% | 0.399 | C | S | . | . | I | π-helix | trans | -67.5 | -30.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A123 F145 | A123-G127 PolarHBondContact O-N 3.18Å; G127-F145 VanDerWaalsContact C-CD2 3.49Å |
| 128 | A | 81.2 | Confident | 75.1 | Confident | 40 Ų | 40 | 80.4 Ų | 80.4 | 33% | 0.331 | 42% | 0.422 | S | S | . | . | I | π-helix | trans | -84.8 | -33.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L124 Y125 D126 F145 | L124-A128 WeakPolarHBondContact O-CB 3.04Å; L124-A128 PolarHBondContact O-N 3.35Å; Y125-A128 PolarHBondContact O-N 3.46Å; D126-A128 VanDerWaalsContact C-N 3.34Å; D126-A128 PolarHBondContact O-N 3.03Å; A128-F145 HydrophobicContact CB-CE2 4.08Å; A128-F145 HydrophobicContact CB-CZ 4.01Å |
| 129 | F | 79.7 | Confident | 73.2 | Confident | 129 Ų | 129 | 84.2 Ų | 84.2 | 57% | 0.566 | 43% | 0.433 | S | S | * | . | I | π-helix | trans | -121.3 | -31.9 | -169.6 | -61.3 | -73.5 | 0 | 0 | 0 | 114.7 | Y125 L133 | Y125-F129 AromaticContact CD2-CD2 3.51Å; Y125-F129 HydrophobicContact CD2-CD2 3.51Å; Y125-F129 AromaticContact CD2-CE2 3.97Å; Y125-F129 HydrophobicContact CD2-CE2 3.97Å; Y125-F129 HydrophobicContact CD2-CG 4.46Å; Y125-F129 AromaticContact CE2-CD2 3.72Å; Y125-F129 HydrophobicContact CE2-CD2 3.72Å; Y125-F129 HydrophobicContact CE2-CE2 4.28Å; Y125-F129 HydrophobicContact CE2-CG 4.3Å; Y125-F129 HydrophobicContact CG-CD2 4.16Å; Y125-F129 WeakPolarHBondContact O-CB 3.14Å; Y125-F129 WeakPolarHBondContact O-CD2 3.25Å; Y125-F129 PolarHBondContact O-N 3.09Å; F129-L133 WeakPolarHBondContact O-CD1 3.27Å; F129-L133 WeakPolarHBondContact O-CG 3.32Å |
| 130 | T | 71.9 | Confident | 71.2 | Confident | 44 Ų | 44 | 85.1 Ų | 85.1 | 27% | 0.27 | 45% | 0.449 | S | S | . | . | I | π-helix | trans | -90.8 | -49.3 | -176.1 | -46.3 | 0 | 0 | 0 | 0 | 111.5 | D126 L133 Y134 | D126-T130 WeakPolarHBondContact O-CA 3.26Å; D126-T130 WeakPolarHBondContact O-CB 3.47Å; D126-T130 PolarHBondContact O-N 3.48Å; D126-T130 WeakPolarHBondContact OD1-CB 3.45Å; D126-T130 WeakPolarHBondContact OD1-CG2 3.25Å; D126-T130 PolarHBondContact OD1-OG1 2.88Å; T130-L133 WeakPolarHBondContact O-CB 3.43Å; T130-L133 PolarHBondContact O-N 2.88Å; T130-Y134 HydrophobicContact CG2-CD2 4.21Å; T130-Y134 HydrophobicContact CG2-CE2 3.93Å |
| 131 | V | 65.1 | Low | 69.4 | Low | 34 Ų | 34 | 87.1 Ų | 87.1 | 21% | 0.206 | 46% | 0.464 | C | S | . | . | G | 310 helix | trans | -56.6 | -44 | -177.5 | 162.8 | 0 | 0 | 0 | 0 | 112.9 | D126 L133 Y134 P141 | D126-V131 PolarHBondContact O-N 3.17Å; V131-L133 PolarHBondContact O-N 2.93Å; V131-Y134 PolarHBondContact O-N 3.4Å; V131-P141 HydrophobicContact CB-CB 4.48Å; V131-P141 HydrophobicContact CG1-CB 3.55Å; V131-P141 HydrophobicContact CG1-CG 4.27Å; V131-P141 HydrophobicContact CG2-CB 4.08Å |
| 132 | P | 60.3 | Low | 67.9 | Low | 95 Ų | 95 | 86.4 Ų | 86.4 | 62% | 0.617 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -65.4 | -9.1 | 178.6 | -22 | 34.8 | 0 | 0 | 0 | 115 | ||
| 133 | L | 59.8 | Low | 66.7 | Low | 145 Ų | 145 | 82.9 Ų | 82.9 | 76% | 0.759 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -96 | -13 | 178.6 | -64.8 | 171.8 | 0 | 0 | 0 | 113.3 | F129 T130 V131 | F129-L133 WeakPolarHBondContact O-CD1 3.27Å; F129-L133 WeakPolarHBondContact O-CG 3.32Å; T130-L133 WeakPolarHBondContact O-CB 3.43Å; T130-L133 PolarHBondContact O-N 2.88Å; V131-L133 PolarHBondContact O-N 2.93Å |
| 134 | Y | 58.3 | Low | 65.8 | Low | 167 Ų | 167 | 85.6 Ų | 85.6 | 66% | 0.655 | 46% | 0.459 | S | S | * | . | trans | -96.2 | 98.2 | 175.6 | -81.4 | -89.4 | 0 | 0 | 0 | 109.5 | T130 V131 D136 | T130-Y134 HydrophobicContact CG2-CD2 4.21Å; T130-Y134 HydrophobicContact CG2-CE2 3.93Å; V131-Y134 PolarHBondContact O-N 3.4Å; Y134-D136 PolarHBondContact O-N 3.05Å | ||
| 135 | D | 54.8 | Low | 65.2 | Low | 168 Ų | 168 | 88.2 Ų | 88.2 | 90% | 0.898 | 47% | 0.469 | S | S | * | . | trans | -76.9 | 13.4 | 173.9 | -148.4 | 17 | 0 | 0 | 0 | 112.5 | E137 | D135-E137 PolarHBondContact O-N 3.34Š| ||
| 136 | D | 56.9 | Low | 65.1 | Low | 76 Ų | 76 | 84.7 Ų | 84.7 | 41% | 0.406 | 46% | 0.463 | S | S | . | . | trans | -91.6 | 90.7 | -176.5 | -168.4 | 0.8 | 0 | 0 | 0 | 109.9 | Y134 S138 K139 | Y134-D136 PolarHBondContact O-N 3.05Å; D136-S138 PolarHBondContact O-N 2.95Å; D136-S138 VanDerWaalsContact OD1-CB 3.25Å; D136-S138 WeakPolarHBondContact OD1-CB 3.43Å; D136-S138 PolarHBondContact OD1-N 3.3Å; D136-S138 PolarHBondContact OD1-OG 3.32Å; D136-S138 PolarHBondContact OD2-OG 3.32Å; D136-K139 PolarHBondContact O-N 3.05Å | ||
| 137 | E | 54.3 | Low | 65.4 | Low | 191 Ų | 191 | 90.1 Ų | 90.1 | 89% | 0.893 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -51.4 | -21.7 | 173.6 | -73.1 | -166.1 | 151.4 | 0 | 0 | 113 | D135 K139 | D135-E137 PolarHBondContact O-N 3.34Å; E137-K139 VanDerWaalsContact C-N 3.26Å; E137-K139 PolarHBondContact O-N 2.72Å |
| 138 | S | 53.8 | Low | 65.8 | Low | 96 Ų | 96 | 93.3 Ų | 93.3 | 67% | 0.671 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -72.2 | -17.3 | -179.8 | 79.2 | 0 | 0 | 0 | 0 | 114 | D136 | D136-S138 PolarHBondContact O-N 2.95Å; D136-S138 VanDerWaalsContact OD1-CB 3.25Å; D136-S138 WeakPolarHBondContact OD1-CB 3.43Å; D136-S138 PolarHBondContact OD1-N 3.3Å; D136-S138 PolarHBondContact OD1-OG 3.32Å; D136-S138 PolarHBondContact OD2-OG 3.32Å |
| 139 | K | 54 | Low | 66.1 | Low | 157 Ų | 157 | 93.7 Ų | 93.7 | 68% | 0.683 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -123.9 | 62.1 | 173.2 | -63.2 | -179.3 | -172.1 | 171.5 | 0 | 108.9 | D136 E137 | D136-K139 PolarHBondContact O-N 3.05Å; E137-K139 VanDerWaalsContact C-N 3.26Å; E137-K139 PolarHBondContact O-N 2.72Å |
| 140 | G | 51.5 | Low | 66.5 | Low | 47 Ų | 47 | 89.8 Ų | 89.8 | 49% | 0.485 | 48% | 0.483 | S | S | . | . | trans | -43.8 | 146.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T142 | G140-T142 PolarHBondContact O-N 2.67Å; G140-T142 VanDerWaalsContact O-N 3.13Å | ||
| 141 | P | 52.4 | Low | 67.5 | Low | 77 Ų | 77 | 92 Ų | 92 | 50% | 0.5 | 49% | 0.492 | S | S | . | . | trans | -54.7 | 123.5 | -169.7 | 19.2 | -31.7 | 0 | 0 | 0 | 111.5 | V131 I143 | V131-P141 HydrophobicContact CB-CB 4.48Å; V131-P141 HydrophobicContact CG1-CB 3.55Å; V131-P141 HydrophobicContact CG1-CG 4.27Å; V131-P141 HydrophobicContact CG2-CB 4.08Å; P141-I143 PolarHBondContact O-N 3.24Å | ||
| 142 | T | 60.8 | Low | 68.7 | Low | 61 Ų | 61 | 98.5 Ų | 98.5 | 37% | 0.374 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -57.6 | -22.6 | 176.4 | 46.5 | 0 | 0 | 0 | 0 | 111.8 | G140 | G140-T142 PolarHBondContact O-N 2.67Å; G140-T142 VanDerWaalsContact O-N 3.13Å |
| 143 | I | 64.8 | Low | 70.2 | Confident | 2 Ų | 2 | 94.2 Ų | 94.2 | 1% | 0.01 | 49% | 0.487 | C | S | . | . | S | Bend | trans | -124.6 | 117.6 | 172.4 | -48.3 | 179.3 | 0 | 0 | 0 | 110.3 | W3 A123 P141 F145 W149 | W3-I143 HydrophobicContact CB-CD1 3.52Å; W3-I143 HydrophobicContact CB-CG1 4.27Å; W3-I143 HydrophobicContact CG-CD1 3.87Å; A123-I143 HydrophobicContact CB-CD1 3.88Å; P141-I143 PolarHBondContact O-N 3.24Å; I143-F145 PolarHBondContact O-N 3.34Å; I143-W149 HydrophobicContact CD1-CZ2 4.2Å; I143-W149 HydrophobicContact CG2-CD2 3.9Å; I143-W149 VanDerWaalsContact CG2-CE2 3.43Å; I143-W149 HydrophobicContact CG2-CE3 4.42Å; I143-W149 HydrophobicContact CG2-CG 4.4Å; I143-W149 HydrophobicContact CG2-CH2 4.15Å; I143-W149 HydrophobicContact CG2-CZ2 3.59Å |
| 144 | P | 66.8 | Low | 71.8 | Confident | 61 Ų | 61 | 91.5 Ų | 91.5 | 40% | 0.396 | 47% | 0.473 | S | S | . | . | trans | -69.4 | 102.9 | 168.5 | 29.3 | -32.4 | 0 | 0 | 0 | 108.5 | T146 | P144-T146 HydrophobicContact CB-CG2 3.9Å; P144-T146 PolarHBondContact O-N 3.29Å; P144-T146 PolarHBondContact O-OG1 2.85Å | ||
| 145 | F | 76.8 | Confident | 73.5 | Confident | 84 Ų | 84 | 90.3 Ų | 90.3 | 37% | 0.368 | 47% | 0.471 | S | S | . | . | trans | -70.5 | 59.4 | 174.7 | -163 | -94.4 | 0 | 0 | 0 | 110.8 | L124 G127 A128 I143 W149 L150 | L124-F145 HydrophobicContact CD2-CE2 4.3Å; G127-F145 VanDerWaalsContact C-CD2 3.49Å; A128-F145 HydrophobicContact CB-CE2 4.08Å; A128-F145 HydrophobicContact CB-CZ 4.01Å; I143-F145 PolarHBondContact O-N 3.34Å; F145-W149 AromaticContact CD2-CE3 3.89Å; F145-W149 HydrophobicContact CD2-CE3 3.89Å; F145-W149 HydrophobicContact CD2-CH2 4.34Å; F145-W149 AromaticContact CD2-CZ3 3.39Å; F145-W149 HydrophobicContact CD2-CZ3 3.39Å; F145-W149 HydrophobicContact CE2-CE3 4.3Å; F145-W149 AromaticContact CE2-CZ3 3.59Å; F145-W149 HydrophobicContact CE2-CZ3 3.59Å; F145-W149 HydrophobicContact CG-CZ3 4.43Å; F145-L150 HydrophobicContact CZ-CD1 4.16Å | ||
| 146 | T | 83.4 | Confident | 75.4 | Confident | 68 Ų | 68 | 84 Ų | 84 | 42% | 0.417 | 44% | 0.442 | S | S | . | . | trans | -85.9 | 154.5 | -179.1 | 57.3 | 0 | 0 | 0 | 0 | 109.6 | P144 P148 W149 L150 | P144-T146 HydrophobicContact CB-CG2 3.9Å; P144-T146 PolarHBondContact O-N 3.29Å; P144-T146 PolarHBondContact O-OG1 2.85Å; T146-P148 VanDerWaalsContact C-N 3.34Å; T146-W149 PolarHBondContact O-N 3.49Å; T146-W149 VanDerWaalsContact O-N 3.07Å; T146-W149 WeakPolarHBondContact OG1-CB 3.35Å; T146-L150 PolarHBondContact O-N 2.96Å | ||
| 147 | F | 86.9 | Confident | 77.2 | Confident | 149 Ų | 149 | 81.4 Ų | 81.4 | 65% | 0.654 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -54 | -41.9 | 177.6 | -179.3 | -104.2 | 0 | 0 | 0 | 113.7 | L150 L151 | F147-L150 PolarHBondContact O-N 3.48Å; F147-L151 HydrophobicContact CD1-CD1 3.84Å; F147-L151 HydrophobicContact CE1-CD1 3.3Å; F147-L151 HydrophobicContact CE1-CG 4.14Å; F147-L151 HydrophobicContact CE2-CD1 4.42Å; F147-L151 HydrophobicContact CE2-CG 4.43Å; F147-L151 HydrophobicContact CZ-CD1 3.64Å; F147-L151 HydrophobicContact CZ-CD2 4.43Å; F147-L151 HydrophobicContact CZ-CG 4.07Å; F147-L151 PolarHBondContact O-N 3.33Å |
| 148 | P | 88.4 | Confident | 79.2 | Confident | 69 Ų | 69 | 76.1 Ų | 76.1 | 45% | 0.448 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 173.7 | -24.4 | 36 | 0 | 0 | 0 | 113.3 | T146 L150 L151 Y152 | T146-P148 VanDerWaalsContact C-N 3.34Å; P148-L150 VanDerWaalsContact C-N 3.32Å; P148-L150 PolarHBondContact O-N 3.39Å; P148-L151 PolarHBondContact O-N 2.98Å; P148-Y152 HydrophobicContact CB-CD2 4.45Å; P148-Y152 HydrophobicContact CB-CE2 4.08Å; P148-Y152 WeakPolarHBondContact O-CD2 3.29Å; P148-Y152 PolarHBondContact O-N 3.16Å |
| 149 | W | 87.2 | Confident | 81.2 | Confident | 48 Ų | 48 | 74.9 Ų | 74.9 | 18% | 0.182 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 178.7 | 179.6 | 89.1 | 0 | 0 | 0 | 111.9 | A123 L124 I143 F145 T146 Y152 S153 | A123-W149 HydrophobicContact CB-CH2 4.25Å; A123-W149 HydrophobicContact CB-CZ2 4.04Å; L124-W149 HydrophobicContact CD2-CH2 3.79Å; L124-W149 HydrophobicContact CD2-CZ3 3.56Å; L124-W149 HydrophobicContact CG-CH2 4.04Å; L124-W149 HydrophobicContact CG-CZ3 4.32Å; I143-W149 HydrophobicContact CD1-CZ2 4.2Å; I143-W149 HydrophobicContact CG2-CD2 3.9Å; I143-W149 VanDerWaalsContact CG2-CE2 3.43Å; I143-W149 HydrophobicContact CG2-CE3 4.42Å; I143-W149 HydrophobicContact CG2-CG 4.4Å; I143-W149 HydrophobicContact CG2-CH2 4.15Å; I143-W149 HydrophobicContact CG2-CZ2 3.59Å; F145-W149 AromaticContact CD2-CE3 3.89Å; F145-W149 HydrophobicContact CD2-CE3 3.89Å; F145-W149 HydrophobicContact CD2-CH2 4.34Å; F145-W149 AromaticContact CD2-CZ3 3.39Å; F145-W149 HydrophobicContact CD2-CZ3 3.39Å; F145-W149 HydrophobicContact CE2-CE3 4.3Å; F145-W149 AromaticContact CE2-CZ3 3.59Å; F145-W149 HydrophobicContact CE2-CZ3 3.59Å; F145-W149 HydrophobicContact CG-CZ3 4.43Å; T146-W149 PolarHBondContact O-N 3.49Å; T146-W149 VanDerWaalsContact O-N 3.07Å; T146-W149 WeakPolarHBondContact OG1-CB 3.35Å; W149-Y152 PolarHBondContact O-N 3.12Å; W149-S153 WeakPolarHBondContact O-CB 3.24Å; W149-S153 PolarHBondContact O-N 2.64Å; W149-S153 PolarHBondContact O-OG 2.9Å |
| 150 | L | 88.6 | Confident | 83.3 | Confident | 47 Ų | 47 | 68.1 Ų | 68.1 | 25% | 0.246 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.2 | -48 | 173.8 | 178.3 | 62.8 | 0 | 0 | 0 | 111.2 | L124 F145 T146 F147 P148 Y152 S153 L154 | L124-L150 HydrophobicContact CD2-CD1 3.65Å; F145-L150 HydrophobicContact CZ-CD1 4.16Å; T146-L150 PolarHBondContact O-N 2.96Å; F147-L150 PolarHBondContact O-N 3.48Å; P148-L150 VanDerWaalsContact C-N 3.32Å; P148-L150 PolarHBondContact O-N 3.39Å; L150-Y152 PolarHBondContact O-N 3.48Å; L150-S153 PolarHBondContact O-N 2.78Å; L150-L154 HydrophobicContact CD1-CD1 4.07Å; L150-L154 HydrophobicContact CD1-CG 4.1Å; L150-L154 HydrophobicContact CG-CD1 4.02Å; L150-L154 HydrophobicContact CG-CG 4.43Å; L150-L154 WeakPolarHBondContact O-CB 3.36Å; L150-L154 VanDerWaalsContact O-CG 3.3Å; L150-L154 WeakPolarHBondContact O-CG 3.47Å; L150-L154 PolarHBondContact O-N 2.83Å |
| 151 | L | 92.3 | Very high | 85.5 | Confident | 89 Ų | 89 | 70.6 Ų | 70.6 | 47% | 0.466 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 177.4 | -81.3 | 172.4 | 0 | 0 | 0 | 112.4 | F147 P148 S153 L154 F155 | F147-L151 HydrophobicContact CD1-CD1 3.84Å; F147-L151 HydrophobicContact CE1-CD1 3.3Å; F147-L151 HydrophobicContact CE1-CG 4.14Å; F147-L151 HydrophobicContact CE2-CD1 4.42Å; F147-L151 HydrophobicContact CE2-CG 4.43Å; F147-L151 HydrophobicContact CZ-CD1 3.64Å; F147-L151 HydrophobicContact CZ-CD2 4.43Å; F147-L151 HydrophobicContact CZ-CG 4.07Å; F147-L151 PolarHBondContact O-N 3.33Å; P148-L151 PolarHBondContact O-N 2.98Å; L151-S153 VanDerWaalsContact C-N 3.34Å; L151-S153 PolarHBondContact O-N 3Å; L151-L154 PolarHBondContact O-N 2.98Å; L151-F155 WeakPolarHBondContact O-CB 3.26Å; L151-F155 PolarHBondContact O-N 3.49Å |
| 152 | Y | 91.6 | Very high | 87.6 | Confident | 171 Ų | 171 | 68.9 Ų | 68.9 | 67% | 0.671 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -63.2 | -40.6 | 177.4 | -68 | -52.2 | 0 | 0 | 0 | 112.1 | P148 W149 L150 F155 A156 | P148-Y152 HydrophobicContact CB-CD2 4.45Å; P148-Y152 HydrophobicContact CB-CE2 4.08Å; P148-Y152 WeakPolarHBondContact O-CD2 3.29Å; P148-Y152 PolarHBondContact O-N 3.16Å; W149-Y152 PolarHBondContact O-N 3.12Å; L150-Y152 PolarHBondContact O-N 3.48Å; Y152-F155 PolarHBondContact O-N 3.36Å; Y152-A156 VanDerWaalsContact O-CB 3.24Å; Y152-A156 WeakPolarHBondContact O-CB 3.04Å; Y152-A156 PolarHBondContact O-N 3.35Å |
| 153 | S | 90.7 | Very high | 89.3 | Confident | 6 Ų | 6 | 68 Ų | 68 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.9 | -44.8 | 178.3 | -60.6 | 0 | 0 | 0 | 0 | 111.6 | W149 L150 L151 F155 A156 C157 | W149-S153 WeakPolarHBondContact O-CB 3.24Å; W149-S153 PolarHBondContact O-N 2.64Å; W149-S153 PolarHBondContact O-OG 2.9Å; L150-S153 PolarHBondContact O-N 2.78Å; L151-S153 VanDerWaalsContact C-N 3.34Å; L151-S153 PolarHBondContact O-N 3Å; S153-F155 PolarHBondContact O-N 2.91Å; S153-A156 PolarHBondContact O-N 2.84Å; S153-C157 WeakPolarHBondContact O-CB 3.31Å; S153-C157 PolarHBondContact O-N 2.86Å; S153-C157 PolarHBondContact O-SG 2.83Å; S153-C157 VanDerWaalsContact O-SG 3.33Å |
| 154 | L | 92.7 | Very high | 90.9 | Very high | 88 Ų | 88 | 69.5 Ų | 69.5 | 46% | 0.461 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 175.7 | -69.8 | 175.3 | 0 | 0 | 0 | 111.9 | L150 L151 S158 | L150-L154 HydrophobicContact CD1-CD1 4.07Å; L150-L154 HydrophobicContact CD1-CG 4.1Å; L150-L154 HydrophobicContact CG-CD1 4.02Å; L150-L154 HydrophobicContact CG-CG 4.43Å; L150-L154 WeakPolarHBondContact O-CB 3.36Å; L150-L154 VanDerWaalsContact O-CG 3.3Å; L150-L154 WeakPolarHBondContact O-CG 3.47Å; L150-L154 PolarHBondContact O-N 2.83Å; L151-L154 PolarHBondContact O-N 2.98Å; L154-S158 WeakPolarHBondContact O-CB 3.3Å; L154-S158 PolarHBondContact O-N 3.37Å; L154-S158 PolarHBondContact O-OG 3.12Å |
| 155 | F | 95.2 | Very high | 92.3 | Very high | 142 Ų | 142 | 70.6 Ų | 70.6 | 62% | 0.623 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.1 | -47.2 | 175.1 | -178.6 | -105.2 | 0 | 0 | 0 | 111.6 | L151 Y152 S153 C157 S158 V159 | L151-F155 WeakPolarHBondContact O-CB 3.26Å; L151-F155 PolarHBondContact O-N 3.49Å; Y152-F155 PolarHBondContact O-N 3.36Å; S153-F155 PolarHBondContact O-N 2.91Å; F155-C157 PolarHBondContact O-N 3.48Å; F155-S158 WeakPolarHBondContact O-CB 3.35Å; F155-S158 PolarHBondContact O-N 3.19Å; F155-S158 VanDerWaalsContact O-N 3.15Å; F155-V159 HydrophobicContact CD1-CG2 4.29Å; F155-V159 HydrophobicContact CD2-CG2 4.44Å; F155-V159 HydrophobicContact CE1-CG2 3.88Å; F155-V159 HydrophobicContact CE2-CG2 4.03Å; F155-V159 HydrophobicContact CZ-CG2 3.73Å; F155-V159 WeakPolarHBondContact O-CG2 3.44Å; F155-V159 PolarHBondContact O-N 3.42Å |
| 156 | A | 94.8 | Very high | 93.3 | Very high | 35 Ų | 35 | 69.6 Ų | 69.6 | 29% | 0.289 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L120 Y152 S153 S158 S160 | L120-A156 HydrophobicContact CD1-CB 3.79Å; Y152-A156 VanDerWaalsContact O-CB 3.24Å; Y152-A156 WeakPolarHBondContact O-CB 3.04Å; Y152-A156 PolarHBondContact O-N 3.35Å; S153-A156 PolarHBondContact O-N 2.84Å; A156-S158 VanDerWaalsContact C-N 3.35Å; A156-S160 VanDerWaalsContact O-CB 3.25Å; A156-S160 WeakPolarHBondContact O-CB 3.31Å; A156-S160 PolarHBondContact O-N 3.1Å; A156-S160 PolarHBondContact O-OG 2.87Å |
| 157 | C | 94.9 | Very high | 93.9 | Very high | 22 Ų | 22 | 67.4 Ų | 67.4 | 15% | 0.149 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 172.3 | -77.1 | 0 | 0 | 0 | 0 | 111.5 | S153 F155 S160 L161 | S153-C157 WeakPolarHBondContact O-CB 3.31Å; S153-C157 PolarHBondContact O-N 2.86Å; S153-C157 PolarHBondContact O-SG 2.83Å; S153-C157 VanDerWaalsContact O-SG 3.33Å; F155-C157 PolarHBondContact O-N 3.48Å; C157-S160 PolarHBondContact O-N 3.4Å; C157-L161 VanDerWaalsContact O-CB 3.28Å; C157-L161 WeakPolarHBondContact O-CB 3.4Å; C157-L161 PolarHBondContact O-N 3.34Å |
| 158 | S | 95.9 | Very high | 94.4 | Very high | 79 Ų | 79 | 60.8 Ų | 60.8 | 55% | 0.552 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64.6 | -44.9 | -179.8 | -59.5 | 0 | 0 | 0 | 0 | 112.2 | L154 F155 A156 L161 G162 | L154-S158 WeakPolarHBondContact O-CB 3.3Å; L154-S158 PolarHBondContact O-N 3.37Å; L154-S158 PolarHBondContact O-OG 3.12Å; F155-S158 WeakPolarHBondContact O-CB 3.35Å; F155-S158 PolarHBondContact O-N 3.19Å; F155-S158 VanDerWaalsContact O-N 3.15Å; A156-S158 VanDerWaalsContact C-N 3.35Å; S158-L161 PolarHBondContact O-N 3.05Å; S158-G162 PolarHBondContact O-N 3.46Å |
| 159 | V | 96.6 | Very high | 94.8 | Very high | 70 Ų | 70 | 62 Ų | 62 | 42% | 0.424 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.1 | -46.3 | 175.7 | 173.3 | 0 | 0 | 0 | 0 | 110.4 | F155 L161 G162 V163 | F155-V159 HydrophobicContact CD1-CG2 4.29Å; F155-V159 HydrophobicContact CD2-CG2 4.44Å; F155-V159 HydrophobicContact CE1-CG2 3.88Å; F155-V159 HydrophobicContact CE2-CG2 4.03Å; F155-V159 HydrophobicContact CZ-CG2 3.73Å; F155-V159 WeakPolarHBondContact O-CG2 3.44Å; F155-V159 PolarHBondContact O-N 3.42Å; V159-L161 VanDerWaalsContact C-N 3.32Å; V159-L161 PolarHBondContact O-N 3.19Å; V159-G162 PolarHBondContact O-N 3.31Å; V159-V163 WeakPolarHBondContact O-CG2 3.16Å; V159-V163 PolarHBondContact O-N 3.26Å |
| 160 | S | 96.7 | Very high | 95.3 | Very high | 15 Ų | 15 | 63.6 Ų | 63.6 | 11% | 0.105 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61 | -42 | 178.7 | -59.9 | 0 | 0 | 0 | 0 | 111.5 | A156 C157 V163 I164 | A156-S160 VanDerWaalsContact O-CB 3.25Å; A156-S160 WeakPolarHBondContact O-CB 3.31Å; A156-S160 PolarHBondContact O-N 3.1Å; A156-S160 PolarHBondContact O-OG 2.87Å; C157-S160 PolarHBondContact O-N 3.4Å; S160-V163 PolarHBondContact O-N 3.47Å; S160-I164 WeakPolarHBondContact O-CD1 3.45Å; S160-I164 VanDerWaalsContact O-CG1 3.22Å; S160-I164 WeakPolarHBondContact O-CG1 3.45Å; S160-I164 PolarHBondContact O-N 3.39Å |
| 161 | L | 97.3 | Very high | 95.7 | Very high | 99 Ų | 99 | 62.1 Ų | 62.1 | 52% | 0.518 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 175.7 | -177.8 | 62.8 | 0 | 0 | 0 | 111.3 | I117 C157 S158 V159 V163 I164 V165 | I117-L161 HydrophobicContact CD1-CB 4.25Å; C157-L161 VanDerWaalsContact O-CB 3.28Å; C157-L161 WeakPolarHBondContact O-CB 3.4Å; C157-L161 PolarHBondContact O-N 3.34Å; S158-L161 PolarHBondContact O-N 3.05Å; V159-L161 VanDerWaalsContact C-N 3.32Å; V159-L161 PolarHBondContact O-N 3.19Å; L161-V163 VanDerWaalsContact C-N 3.32Å; L161-V163 PolarHBondContact O-N 3.09Å; L161-I164 PolarHBondContact O-N 3.33Å; L161-V165 HydrophobicContact CD1-CG2 4.34Å; L161-V165 WeakPolarHBondContact O-CG2 3.36Å; L161-V165 PolarHBondContact O-N 3.37Å |
| 162 | G | 97 | Very high | 96 | Very high | 41 Ų | 41 | 63.4 Ų | 63.4 | 42% | 0.423 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.7 | -42.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S158 V159 S166 | S158-G162 PolarHBondContact O-N 3.46Å; V159-G162 PolarHBondContact O-N 3.31Å; G162-S166 VanDerWaalsContact O-CB 3.3Å; G162-S166 WeakPolarHBondContact O-CB 3.2Å; G162-S166 PolarHBondContact O-N 2.96Å; G162-S166 PolarHBondContact O-OG 2.93Å |
| 163 | V | 97 | Very high | 96.2 | Very high | 42 Ų | 42 | 59.5 Ų | 59.5 | 26% | 0.255 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.6 | -48.2 | 175.1 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | C113 V159 S160 L161 V165 S166 V167 | C113-V163 VanDerWaalsContact SG-CG1 3.56Å; V159-V163 WeakPolarHBondContact O-CG2 3.16Å; V159-V163 PolarHBondContact O-N 3.26Å; S160-V163 PolarHBondContact O-N 3.47Å; L161-V163 VanDerWaalsContact C-N 3.32Å; L161-V163 PolarHBondContact O-N 3.09Å; V163-V165 VanDerWaalsContact C-N 3.33Å; V163-V165 PolarHBondContact O-N 3.32Å; V163-S166 PolarHBondContact O-N 3.25Å; V163-S166 PolarHBondContact O-OG 2.85Å; V163-V167 HydrophobicContact CG1-CB 4.24Å; V163-V167 HydrophobicContact CG1-CG2 3.83Å; V163-V167 WeakPolarHBondContact O-CA 3.47Å; V163-V167 WeakPolarHBondContact O-CB 3.34Å; V163-V167 PolarHBondContact O-N 3.02Å |
| 164 | I | 97.9 | Very high | 96.5 | Very high | 35 Ų | 35 | 60 Ų | 60 | 18% | 0.179 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.1 | -47.6 | 179 | -70.2 | 162.4 | 0 | 0 | 0 | 111.1 | C113 V114 I117 S160 L161 G168 | C113-I164 HydrophobicContact CB-CD1 3.9Å; C113-I164 HydrophobicContact CB-CG1 3.53Å; V114-I164 HydrophobicContact CG2-CD1 3.78Å; V114-I164 HydrophobicContact CG2-CG1 4.08Å; I117-I164 HydrophobicContact CD1-CD1 3.43Å; I117-I164 VanDerWaalsContact CD1-CD1 3.43Å; I117-I164 HydrophobicContact CG1-CD1 4.37Å; S160-I164 WeakPolarHBondContact O-CD1 3.45Å; S160-I164 VanDerWaalsContact O-CG1 3.22Å; S160-I164 WeakPolarHBondContact O-CG1 3.45Å; S160-I164 PolarHBondContact O-N 3.39Å; L161-I164 PolarHBondContact O-N 3.33Å; I164-G168 WeakPolarHBondContact O-CA 3.3Å; I164-G168 PolarHBondContact O-N 2.97Å |
| 165 | V | 97.4 | Very high | 96.7 | Very high | 84 Ų | 84 | 58.1 Ų | 58.1 | 51% | 0.509 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.5 | -51.9 | -179.1 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | L161 V163 I169 | L161-V165 HydrophobicContact CD1-CG2 4.34Å; L161-V165 WeakPolarHBondContact O-CG2 3.36Å; L161-V165 PolarHBondContact O-N 3.37Å; V163-V165 VanDerWaalsContact C-N 3.33Å; V163-V165 PolarHBondContact O-N 3.32Å; V165-I169 HydrophobicContact CG1-CD1 4.21Å; V165-I169 WeakPolarHBondContact O-CD1 3.48Å; V165-I169 VanDerWaalsContact O-CG1 3.22Å; V165-I169 WeakPolarHBondContact O-CG1 3.35Å; V165-I169 PolarHBondContact O-N 3.42Å; V165-I169 VanDerWaalsContact O-N 3.13Å |
| 166 | S | 96.1 | Very high | 96.7 | Very high | 62 Ų | 62 | 56.4 Ų | 56.4 | 43% | 0.434 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -70 | -52.4 | -174.5 | 60.3 | 0 | 0 | 0 | 0 | 112.9 | G162 V163 I169 L170 | G162-S166 VanDerWaalsContact O-CB 3.3Å; G162-S166 WeakPolarHBondContact O-CB 3.2Å; G162-S166 PolarHBondContact O-N 2.96Å; G162-S166 PolarHBondContact O-OG 2.93Å; V163-S166 PolarHBondContact O-N 3.25Å; V163-S166 PolarHBondContact O-OG 2.85Å; S166-I169 PolarHBondContact O-N 3.02Å; S166-L170 PolarHBondContact O-N 3.33Å |
| 167 | V | 97.2 | Very high | 96.8 | Very high | 22 Ų | 22 | 55.5 Ų | 55.5 | 13% | 0.133 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.2 | -34.2 | 178.9 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | L106 V110 V163 I169 L170 L171 | L106-V167 HydrophobicContact CB-CG1 4.07Å; L106-V167 HydrophobicContact CD2-CG1 3.7Å; L106-V167 HydrophobicContact CG-CG1 4.47Å; V110-V167 HydrophobicContact CG2-CB 4.33Å; V110-V167 HydrophobicContact CG2-CG1 4.03Å; V163-V167 HydrophobicContact CG1-CB 4.24Å; V163-V167 HydrophobicContact CG1-CG2 3.83Å; V163-V167 WeakPolarHBondContact O-CA 3.47Å; V163-V167 WeakPolarHBondContact O-CB 3.34Å; V163-V167 PolarHBondContact O-N 3.02Å; V167-I169 PolarHBondContact O-N 2.91Å; V167-L170 PolarHBondContact O-N 3.47Å; V167-L171 WeakPolarHBondContact O-CB 3.2Å; V167-L171 PolarHBondContact O-N 3.31Å |
| 168 | G | 97.6 | Very high | 96.9 | Very high | 11 Ų | 11 | 54.7 Ų | 54.7 | 11% | 0.113 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I164 L170 L171 I172 | I164-G168 WeakPolarHBondContact O-CA 3.3Å; I164-G168 PolarHBondContact O-N 2.97Å; G168-L170 PolarHBondContact O-N 2.96Å; G168-L171 PolarHBondContact O-N 3.09Å; G168-I172 VanDerWaalsContact O-CG1 3.3Å; G168-I172 WeakPolarHBondContact O-CG1 3.28Å; G168-I172 PolarHBondContact O-N 2.97Å |
| 169 | I | 97 | Very high | 96.9 | Very high | 94 Ų | 94 | 54.6 Ų | 54.6 | 48% | 0.482 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.2 | -45.9 | 173 | -69.5 | 164.7 | 0 | 0 | 0 | 110.5 | V165 S166 V167 L171 I172 L173 | V165-I169 HydrophobicContact CG1-CD1 4.21Å; V165-I169 WeakPolarHBondContact O-CD1 3.48Å; V165-I169 VanDerWaalsContact O-CG1 3.22Å; V165-I169 WeakPolarHBondContact O-CG1 3.35Å; V165-I169 PolarHBondContact O-N 3.42Å; V165-I169 VanDerWaalsContact O-N 3.13Å; S166-I169 PolarHBondContact O-N 3.02Å; V167-I169 PolarHBondContact O-N 2.91Å; I169-L171 VanDerWaalsContact C-N 3.32Å; I169-L171 PolarHBondContact O-N 2.66Å; I169-I172 PolarHBondContact O-N 3.32Å; I169-L173 HydrophobicContact CG2-CD1 4.1Å; I169-L173 HydrophobicContact CG2-CG 4.49Å; I169-L173 VanDerWaalsContact O-CG 3.3Å; I169-L173 WeakPolarHBondContact O-CG 3.31Å; I169-L173 PolarHBondContact O-N 2.83Å |
| 170 | L | 96.2 | Very high | 96.8 | Very high | 81 Ų | 81 | 54.3 Ų | 54.3 | 42% | 0.424 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.1 | -41 | 177.4 | -68.6 | 175.5 | 0 | 0 | 0 | 112.1 | L106 S166 V167 G168 L173 Q174 | L106-L170 HydrophobicContact CD1-CB 4.41Å; S166-L170 PolarHBondContact O-N 3.33Å; V167-L170 PolarHBondContact O-N 3.47Å; G168-L170 PolarHBondContact O-N 2.96Å; L170-L173 PolarHBondContact O-N 2.71Å; L170-Q174 WeakPolarHBondContact O-CB 3.28Å; L170-Q174 VanDerWaalsContact O-CG 3.29Å; L170-Q174 WeakPolarHBondContact O-CG 3.42Å; L170-Q174 PolarHBondContact O-N 3.12Å |
| 171 | L | 97.8 | Very high | 96.8 | Very high | 16 Ų | 16 | 53.8 Ų | 53.8 | 8% | 0.084 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.2 | -48.2 | 176.2 | 177.1 | 62.2 | 0 | 0 | 0 | 111.1 | V103 L106 F107 V110 V167 G168 I169 L173 Q174 L175 | V103-L171 HydrophobicContact CG1-CD1 4.31Å; L106-L171 HydrophobicContact CB-CB 4.16Å; L106-L171 HydrophobicContact CB-CD1 3.97Å; F107-L171 HydrophobicContact CB-CD1 4.16Å; F107-L171 HydrophobicContact CB-CD2 4.39Å; F107-L171 HydrophobicContact CD2-CD2 4.33Å; V110-L171 HydrophobicContact CB-CD2 4.49Å; V110-L171 HydrophobicContact CG2-CD2 4.19Å; V167-L171 WeakPolarHBondContact O-CB 3.2Å; V167-L171 PolarHBondContact O-N 3.31Å; G168-L171 PolarHBondContact O-N 3.09Å; I169-L171 VanDerWaalsContact C-N 3.32Å; I169-L171 PolarHBondContact O-N 2.66Å; L171-L173 VanDerWaalsContact C-N 3.31Å; L171-L173 PolarHBondContact O-N 3.28Å; L171-Q174 PolarHBondContact O-N 2.89Å; L171-L175 HydrophobicContact CD1-CD1 4Å; L171-L175 HydrophobicContact CD1-CG 4.04Å; L171-L175 HydrophobicContact CG-CD1 3.95Å; L171-L175 HydrophobicContact CG-CG 4.38Å; L171-L175 WeakPolarHBondContact O-CB 3.41Å; L171-L175 VanDerWaalsContact O-CG 3.28Å; L171-L175 WeakPolarHBondContact O-CG 3.3Å; L171-L175 PolarHBondContact O-N 2.83Å |
| 172 | I | 97.6 | Very high | 96.6 | Very high | 116 Ų | 116 | 50.7 Ų | 50.7 | 60% | 0.595 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -59.2 | -44 | 177.9 | -69 | 164.4 | 0 | 0 | 0 | 110.8 | G168 I169 L175 K176 | G168-I172 VanDerWaalsContact O-CG1 3.3Å; G168-I172 WeakPolarHBondContact O-CG1 3.28Å; G168-I172 PolarHBondContact O-N 2.97Å; I169-I172 PolarHBondContact O-N 3.32Å; I172-L175 PolarHBondContact O-N 3.1Å; I172-K176 WeakPolarHBondContact O-CB 3.29Å; I172-K176 PolarHBondContact O-N 2.86Å |
| 173 | L | 96.2 | Very high | 96.6 | Very high | 90 Ų | 90 | 48.7 Ų | 48.7 | 47% | 0.471 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 177.5 | -68.3 | 174.3 | 0 | 0 | 0 | 111.7 | I169 L170 L171 K176 L177 | I169-L173 HydrophobicContact CG2-CD1 4.1Å; I169-L173 HydrophobicContact CG2-CG 4.49Å; I169-L173 VanDerWaalsContact O-CG 3.3Å; I169-L173 WeakPolarHBondContact O-CG 3.31Å; I169-L173 PolarHBondContact O-N 2.83Å; L170-L173 PolarHBondContact O-N 2.71Å; L171-L173 VanDerWaalsContact C-N 3.31Å; L171-L173 PolarHBondContact O-N 3.28Å; L173-K176 PolarHBondContact O-N 3.42Å; L173-L177 WeakPolarHBondContact O-CG 3.06Å; L173-L177 PolarHBondContact O-N 2.99Å |
| 174 | Q | 96.7 | Very high | 96.4 | Very high | 16 Ų | 16 | 49 Ų | 49 | 8% | 0.075 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.9 | -40.5 | 178.5 | -72.6 | -69.1 | -23 | 0 | 0 | 112.1 | D84 F102 V103 L106 L170 L171 L177 L178 | D84-Q174 PolarHBondContact OD2-NE2 2.89Å; F102-Q174 HydrophobicContact CE1-CG 4.08Å; V103-Q174 HydrophobicContact CG2-CB 4.27Å; L106-Q174 HydrophobicContact CD1-CB 4.44Å; L106-Q174 HydrophobicContact CD1-CG 4Å; L170-Q174 WeakPolarHBondContact O-CB 3.28Å; L170-Q174 VanDerWaalsContact O-CG 3.29Å; L170-Q174 WeakPolarHBondContact O-CG 3.42Å; L170-Q174 PolarHBondContact O-N 3.12Å; L171-Q174 PolarHBondContact O-N 2.89Å; Q174-L177 PolarHBondContact O-N 2.75Å; Q174-L178 VanDerWaalsContact O-CB 3.3Å; Q174-L178 WeakPolarHBondContact O-CB 3.39Å; Q174-L178 PolarHBondContact O-N 3.09Å |
| 175 | L | 97.1 | Very high | 96.1 | Very high | 49 Ų | 49 | 49.4 Ų | 49.4 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 174.5 | -71.3 | 174.4 | 0 | 0 | 0 | 111.6 | V103 L171 I172 L177 L178 F179 | V103-L175 HydrophobicContact CG1-CD2 4.24Å; L171-L175 HydrophobicContact CD1-CD1 4Å; L171-L175 HydrophobicContact CD1-CG 4.04Å; L171-L175 HydrophobicContact CG-CD1 3.95Å; L171-L175 HydrophobicContact CG-CG 4.38Å; L171-L175 WeakPolarHBondContact O-CB 3.41Å; L171-L175 VanDerWaalsContact O-CG 3.28Å; L171-L175 WeakPolarHBondContact O-CG 3.3Å; L171-L175 PolarHBondContact O-N 2.83Å; I172-L175 PolarHBondContact O-N 3.1Å; L175-L177 VanDerWaalsContact C-N 3.31Å; L175-L177 PolarHBondContact O-N 3.11Å; L175-L178 PolarHBondContact O-N 2.89Å; L175-L178 VanDerWaalsContact O-N 3.17Å; L175-F179 HydrophobicContact CB-CD2 4.45Å; L175-F179 HydrophobicContact CB-CE2 4.22Å; L175-F179 WeakPolarHBondContact O-CD2 3.26Å; L175-F179 PolarHBondContact O-N 2.89Å |
| 176 | K | 96.7 | Very high | 95.8 | Very high | 105 Ų | 105 | 45.4 Ų | 45.4 | 46% | 0.457 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.4 | -43 | 175.2 | 178.1 | -177.7 | 172.9 | -176.1 | 0 | 112 | I172 L173 K180 | I172-K176 WeakPolarHBondContact O-CB 3.29Å; I172-K176 PolarHBondContact O-N 2.86Å; L173-K176 PolarHBondContact O-N 3.42Å; K176-K180 WeakPolarHBondContact O-CG 3.44Å; K176-K180 PolarHBondContact O-N 3.26Å |
| 177 | L | 96.2 | Very high | 95.6 | Very high | 17 Ų | 17 | 44.8 Ų | 44.8 | 9% | 0.089 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.7 | -42.8 | 176.2 | -72 | 177.2 | 0 | 0 | 0 | 111.3 | L173 Q174 L175 K180 N181 R182 E187 | L173-L177 WeakPolarHBondContact O-CG 3.06Å; L173-L177 PolarHBondContact O-N 2.99Å; Q174-L177 PolarHBondContact O-N 2.75Å; L175-L177 VanDerWaalsContact C-N 3.31Å; L175-L177 PolarHBondContact O-N 3.11Å; L177-K180 CarbonylContact O-C 3.46Å; L177-K180 PolarHBondContact O-N 2.8Å; L177-N181 PolarHBondContact O-N 3.13Å; L177-R182 WeakPolarHBondContact CB-O 3.44Å; L177-R182 HydrophobicContact CD2-CB 4.25Å; L177-R182 PolarHBondContact O-N 3.43Å; L177-E187 HydrophobicContact CD2-CB 3.72Å; L177-E187 HydrophobicContact CD2-CG 4.08Å |
| 178 | L | 96.2 | Very high | 95 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.1 | -42.2 | -179.8 | -168.2 | 141.8 | 0 | 0 | 0 | 112.5 | V103 Q174 L175 K180 N181 F214 V217 F218 | V103-L178 HydrophobicContact CG2-CD1 4.47Å; Q174-L178 VanDerWaalsContact O-CB 3.3Å; Q174-L178 WeakPolarHBondContact O-CB 3.39Å; Q174-L178 PolarHBondContact O-N 3.09Å; L175-L178 PolarHBondContact O-N 2.89Å; L175-L178 VanDerWaalsContact O-N 3.17Å; L178-K180 PolarHBondContact O-N 3.45Å; L178-N181 PolarHBondContact O-N 3.42Å; L178-F214 HydrophobicContact CD2-CB 3.99Å; L178-F214 HydrophobicContact CD2-CD2 3.01Å; L178-F214 HydrophobicContact CD2-CE2 3.5Å; L178-F214 HydrophobicContact CD2-CG 3.66Å; L178-V217 HydrophobicContact CD1-CB 3.67Å; L178-V217 HydrophobicContact CD1-CG1 3.75Å; L178-V217 HydrophobicContact CD1-CG2 3.77Å; L178-V217 HydrophobicContact CG-CB 4.33Å; L178-V217 HydrophobicContact CG-CG2 4.19Å; L178-F218 HydrophobicContact CD1-CD2 3.91Å; L178-F218 HydrophobicContact CD1-CE2 3.65Å; L178-F218 HydrophobicContact CD2-CD2 4.14Å; L178-F218 HydrophobicContact CD2-CE2 4.47Å |
| 179 | F | 96.5 | Very high | 94.4 | Very high | 78 Ų | 78 | 52.7 Ų | 52.7 | 34% | 0.342 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.9 | -24.5 | 174.3 | -74.5 | -60.2 | 0 | 0 | 0 | 113.8 | L175 W210 N213 F214 | L175-F179 HydrophobicContact CB-CD2 4.45Å; L175-F179 HydrophobicContact CB-CE2 4.22Å; L175-F179 WeakPolarHBondContact O-CD2 3.26Å; L175-F179 PolarHBondContact O-N 2.89Å; F179-W210 HydrophobicContact CD1-CB 4.25Å; F179-W210 HydrophobicContact CD1-CE3 4.29Å; F179-W210 HydrophobicContact CE1-CE3 4.11Å; F179-N213 PolarHBondContact O-ND2 2.86Å; F179-F214 HydrophobicContact CD1-CD2 4.14Å; F179-F214 HydrophobicContact CE1-CB 4.5Å; F179-F214 AromaticContact CE1-CD2 3.62Å; F179-F214 HydrophobicContact CE1-CD2 3.62Å; F179-F214 HydrophobicContact CE1-CE2 4.3Å; F179-F214 HydrophobicContact CE1-CG 4.36Å; F179-F214 HydrophobicContact CZ-CD2 4.01Å; F179-F214 HydrophobicContact CZ-CE2 4.25Å |
| 180 | K | 94.5 | Very high | 93.7 | Very high | 64 Ų | 64 | 48.3 Ų | 48.3 | 28% | 0.278 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -0.7 | 174.1 | -63.4 | -178.9 | -179.3 | -172.4 | 0 | 113.6 | K176 L177 L178 R182 E187 | K176-K180 WeakPolarHBondContact O-CG 3.44Å; K176-K180 PolarHBondContact O-N 3.26Å; L177-K180 CarbonylContact O-C 3.46Å; L177-K180 PolarHBondContact O-N 2.8Å; L178-K180 PolarHBondContact O-N 3.45Å; K180-R182 HydrophobicContact CB-CG 4.06Å; K180-R182 PolarHBondContact O-N 2.67Å; K180-E187 IonicContact NZ-OE1 3.55Å |
| 181 | N | 95.8 | Very high | 93.1 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 40.6 | -169.6 | -166.1 | 4.4 | 0 | 0 | 0 | 114.1 | R69 L177 L178 F204 Y206 N213 | R69-N181 PolarHBondContact NH1-OD1 3.23Å; R69-N181 VanDerWaalsContact NH1-OD1 3.12Å; R69-N181 PolarHBondContact NH2-O 2.93Å; R69-N181 PolarHBondContact NH2-OD1 2.87Å; L177-N181 PolarHBondContact O-N 3.13Å; L178-N181 PolarHBondContact O-N 3.42Å; N181-F204 WeakPolarHBondContact O-CE1 3.38Å; N181-Y206 WeakPolarHBondContact CB-O 3.44Å; N181-Y206 PolarHBondContact ND2-O 2.84Å; N181-N213 HydrophobicContact CB-CB 3.79Å; N181-N213 VanDerWaalsContact CB-CG 3.48Å; N181-N213 WeakPolarHBondContact CB-OD1 3.32Å |
| 182 | R | 94.8 | Very high | 92.1 | Very high | 33 Ų | 33 | 48.5 Ų | 48.5 | 13% | 0.125 | 24% | 0.239 | C | C | . | . | trans | -108.3 | 151 | 177.2 | -66.9 | 172.5 | -166.9 | -166.5 | -4.2 | 110.3 | L177 K180 E186 E187 F204 | L177-R182 WeakPolarHBondContact CB-O 3.44Å; L177-R182 HydrophobicContact CD2-CB 4.25Å; L177-R182 PolarHBondContact O-N 3.43Å; K180-R182 HydrophobicContact CB-CG 4.06Å; K180-R182 PolarHBondContact O-N 2.67Å; R182-E186 WeakPolarHBondContact CA-OE2 3.43Å; R182-E186 HydrophobicContact CB-CB 4.36Å; R182-E187 WeakPolarHBondContact CD-OE2 3.01Å; R182-E187 IonicContact CZ-OE2 3.57Å; R182-E187 IonicContact NE-OE2 3.54Å; R182-E187 IonicContact NH1-OE2 2.74Å; R182-E187 PolarHBondContact NH1-OE2 3.19Å; R182-F204 HydrophobicContact CB-CZ 4.37Å; R182-F204 HydrophobicContact CG-CD1 3.97Å; R182-F204 HydrophobicContact CG-CD2 4.4Å; R182-F204 HydrophobicContact CG-CE1 3.55Å; R182-F204 HydrophobicContact CG-CE2 4.05Å; R182-F204 HydrophobicContact CG-CG 4.36Å; R182-F204 HydrophobicContact CG-CZ 3.6Å | ||
| 183 | T | 95.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -90.1 | 166.6 | 160.8 | 72.7 | 0 | 0 | 0 | 0 | 111.1 | K82 M83 D84 I185 E186 E187 | K82-T183 HydrophobicContact CG-CG2 3.88Å; M83-T183 WeakPolarHBondContact O-CB 3.4Å; M83-T183 PolarHBondContact O-OG1 3.46Å; D84-T183 VanDerWaalsContact OD1-CA 3.23Å; D84-T183 WeakPolarHBondContact OD1-CA 3.27Å; D84-T183 WeakPolarHBondContact OD1-CB 3.39Å; T183-I185 PolarHBondContact O-N 3.16Å; T183-I185 PolarHBondContact OG1-N 2.86Å; T183-E186 PolarHBondContact N-OE2 3.18Å; T183-E186 PolarHBondContact O-N 2.87Å; T183-E186 VanDerWaalsContact O-N 3.1Å; T183-E186 WeakPolarHBondContact OG1-CG 3.49Å; T183-E186 PolarHBondContact OG1-N 3Å; T183-E186 VanDerWaalsContact OG1-N 3.11Å; T183-E187 PolarHBondContact O-N 3.26Å | ||
| 184 | S | 93 | Very high | 89.9 | Confident | 48 Ų | 48 | 42.7 Ų | 42.7 | 34% | 0.336 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.6 | -34 | 175.1 | 86.3 | 0 | 0 | 0 | 0 | 112.1 | D84 Y188 | D84-S184 PolarHBondContact O-OG 3.43Å; D84-S184 PolarHBondContact OD1-N 2.89Å; S184-Y188 PolarHBondContact O-N 3.41Å |
| 185 | I | 91.9 | Very high | 88.7 | Confident | 44 Ų | 44 | 46.2 Ų | 46.2 | 23% | 0.226 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.9 | -43.8 | 174.5 | -60.2 | 174.2 | 0 | 0 | 0 | 110.3 | H71 M83 T183 Y188 I189 | H71-I185 HydrophobicContact CB-CD1 3.96Å; M83-I185 HydrophobicContact CB-CD1 4.29Å; M83-I185 HydrophobicContact CG-CD1 4.06Å; M83-I185 HydrophobicContact SD-CD1 4.23Å; T183-I185 PolarHBondContact O-N 3.16Å; T183-I185 PolarHBondContact OG1-N 2.86Å; I185-Y188 WeakPolarHBondContact O-CB 3.19Å; I185-Y188 PolarHBondContact O-N 3.05Å; I185-I189 HydrophobicContact CG2-CD1 4.04Å; I185-I189 WeakPolarHBondContact O-CG1 3.37Å; I185-I189 PolarHBondContact O-N 3.42Å |
| 186 | E | 91.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68 | -39.4 | 179.8 | -69.4 | 168.8 | 165.8 | 0 | 0 | 112.1 | R69 R182 T183 Y188 I189 V190 F204 L242 | R69-E186 WeakPolarHBondContact CB-OE1 3.44Å; R69-E186 VanDerWaalsContact CG-OE1 3.25Å; R69-E186 WeakPolarHBondContact CG-OE1 3.46Å; R69-E186 IonicContact CZ-OE1 3.8Å; R69-E186 IonicContact CZ-OE2 2.7Å; R69-E186 IonicContact NE-OE1 3.74Å; R69-E186 PolarHBondContact NE-OE1 2.83Å; R69-E186 IonicContact NE-OE2 3.12Å; R69-E186 IonicContact NH2-OE1 2.71Å; R69-E186 IonicContact NH2-OE2 2.7Å; R69-E186 PolarHBondContact NH2-OE2 3.44Å; R182-E186 WeakPolarHBondContact CA-OE2 3.43Å; R182-E186 HydrophobicContact CB-CB 4.36Å; T183-E186 PolarHBondContact N-OE2 3.18Å; T183-E186 PolarHBondContact O-N 2.87Å; T183-E186 VanDerWaalsContact O-N 3.1Å; T183-E186 WeakPolarHBondContact OG1-CG 3.49Å; T183-E186 PolarHBondContact OG1-N 3Å; T183-E186 VanDerWaalsContact OG1-N 3.11Å; E186-Y188 VanDerWaalsContact C-N 3.26Å; E186-Y188 PolarHBondContact O-N 3.08Å; E186-I189 WeakPolarHBondContact O-CB 3.33Å; E186-I189 PolarHBondContact O-N 3.27Å; E186-I189 VanDerWaalsContact O-N 3.09Å; E186-V190 VanDerWaalsContact O-CG2 3.3Å; E186-V190 WeakPolarHBondContact O-CG2 3.28Å; E186-V190 PolarHBondContact O-N 3.31Å; E186-F204 HydrophobicContact CB-CE2 3.99Å; E186-F204 HydrophobicContact CB-CZ 4.17Å; E186-F204 HydrophobicContact CG-CE2 4.38Å; E186-F204 HydrophobicContact CG-CZ 4.42Å; E186-L242 HydrophobicContact CG-CD2 3.91Å |
| 187 | E | 90.5 | Very high | 86.1 | Confident | 49 Ų | 49 | 47.5 Ų | 47.5 | 23% | 0.229 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.1 | -39 | 174.3 | -174.4 | 74.1 | 164.6 | 0 | 0 | 110.9 | L177 K180 R182 T183 V190 A191 | L177-E187 HydrophobicContact CD2-CB 3.72Å; L177-E187 HydrophobicContact CD2-CG 4.08Å; K180-E187 IonicContact NZ-OE1 3.55Å; R182-E187 WeakPolarHBondContact CD-OE2 3.01Å; R182-E187 IonicContact CZ-OE2 3.57Å; R182-E187 IonicContact NE-OE2 3.54Å; R182-E187 IonicContact NH1-OE2 2.74Å; R182-E187 PolarHBondContact NH1-OE2 3.19Å; T183-E187 PolarHBondContact O-N 3.26Å; E187-V190 PolarHBondContact O-N 3.21Å; E187-A191 VanDerWaalsContact O-CB 3.31Å; E187-A191 WeakPolarHBondContact O-CB 3.16Å; E187-A191 PolarHBondContact O-N 2.89Å |
| 188 | Y | 86.2 | Confident | 84.7 | Confident | 154 Ų | 154 | 49.9 Ų | 49.9 | 60% | 0.604 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -65 | -41.4 | 172.8 | 177.5 | -98.9 | 0 | 0 | 0 | 112.5 | S184 I185 E186 A191 K192 | S184-Y188 PolarHBondContact O-N 3.41Å; I185-Y188 WeakPolarHBondContact O-CB 3.19Å; I185-Y188 PolarHBondContact O-N 3.05Å; E186-Y188 VanDerWaalsContact C-N 3.26Å; E186-Y188 PolarHBondContact O-N 3.08Å; Y188-A191 PolarHBondContact O-N 3.43Å; Y188-K192 WeakPolarHBondContact O-CB 3.35Å; Y188-K192 PolarHBondContact O-N 2.8Å |
| 189 | I | 84 | Confident | 83.2 | Confident | 45 Ų | 45 | 57.9 Ų | 57.9 | 23% | 0.231 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 176.3 | -68.6 | 166 | 0 | 0 | 0 | 110.4 | I185 E186 K192 A193 L242 V246 | I185-I189 HydrophobicContact CG2-CD1 4.04Å; I185-I189 WeakPolarHBondContact O-CG1 3.37Å; I185-I189 PolarHBondContact O-N 3.42Å; E186-I189 WeakPolarHBondContact O-CB 3.33Å; E186-I189 PolarHBondContact O-N 3.27Å; E186-I189 VanDerWaalsContact O-N 3.09Å; I189-K192 PolarHBondContact O-N 3.5Å; I189-A193 WeakPolarHBondContact O-CB 3.38Å; I189-A193 PolarHBondContact O-N 3.25Å; I189-L242 HydrophobicContact CG2-CD1 4.32Å; I189-V246 HydrophobicContact CG2-CG1 4.29Å; I189-V246 HydrophobicContact CG2-CG2 3.97Å |
| 190 | V | 83.2 | Confident | 81.8 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.012 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.2 | -46.7 | 178.3 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | E186 E187 K192 A193 D194 F202 F204 | E186-V190 VanDerWaalsContact O-CG2 3.3Å; E186-V190 WeakPolarHBondContact O-CG2 3.28Å; E186-V190 PolarHBondContact O-N 3.31Å; E187-V190 PolarHBondContact O-N 3.21Å; V190-K192 VanDerWaalsContact C-N 3.25Å; V190-K192 PolarHBondContact O-N 3.34Å; V190-A193 CarbonylContact O-C 3.59Å; V190-A193 WeakPolarHBondContact O-CA 3.09Å; V190-A193 WeakPolarHBondContact O-CB 3.34Å; V190-A193 PolarHBondContact O-N 3.5Å; V190-D194 WeakPolarHBondContact CG1-OD2 3.16Å; V190-D194 WeakPolarHBondContact O-CB 3.29Å; V190-D194 PolarHBondContact O-N 3.45Å; V190-F202 HydrophobicContact CG1-CD1 4.2Å; V190-F202 HydrophobicContact CG2-CD1 4.28Å; V190-F202 HydrophobicContact CG2-CE1 3.88Å; V190-F204 HydrophobicContact CG2-CD2 3.55Å; V190-F204 HydrophobicContact CG2-CE2 4.08Å; V190-F204 HydrophobicContact CG2-CG 4.42Å |
| 191 | A | 82.9 | Confident | 80.7 | Confident | 57 Ų | 57 | 64.5 Ų | 64.5 | 47% | 0.471 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.8 | -39.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E187 Y188 S195 | E187-A191 VanDerWaalsContact O-CB 3.31Å; E187-A191 WeakPolarHBondContact O-CB 3.16Å; E187-A191 PolarHBondContact O-N 2.89Å; Y188-A191 PolarHBondContact O-N 3.43Å; A191-S195 PolarHBondContact O-N 3.31Å; A191-S195 VanDerWaalsContact O-N 3.09Å |
| 192 | K | 76.2 | Confident | 79.6 | Confident | 43 Ų | 43 | 65.2 Ų | 65.2 | 19% | 0.187 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70 | -34 | 173.9 | -176.3 | 175 | 178.6 | 175.8 | 0 | 112.8 | Y188 I189 V190 S195 R196 | Y188-K192 WeakPolarHBondContact O-CB 3.35Å; Y188-K192 PolarHBondContact O-N 2.8Å; I189-K192 PolarHBondContact O-N 3.5Å; V190-K192 VanDerWaalsContact C-N 3.25Å; V190-K192 PolarHBondContact O-N 3.34Å; K192-S195 PolarHBondContact O-OG 3.2Å; K192-R196 WeakPolarHBondContact O-CG 3.3Å |
| 193 | A | 72.7 | Confident | 79 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.008 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69.3 | -39.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I189 V190 R196 F202 V246 | I189-A193 WeakPolarHBondContact O-CB 3.38Å; I189-A193 PolarHBondContact O-N 3.25Å; V190-A193 CarbonylContact O-C 3.59Å; V190-A193 WeakPolarHBondContact O-CA 3.09Å; V190-A193 WeakPolarHBondContact O-CB 3.34Å; V190-A193 PolarHBondContact O-N 3.5Å; A193-R196 PolarHBondContact O-N 2.8Å; A193-F202 HydrophobicContact CB-CB 4.49Å; A193-F202 HydrophobicContact CB-CD1 4.39Å; A193-F202 HydrophobicContact CB-CG 4.2Å; A193-V246 HydrophobicContact CB-CG1 3.9Å |
| 194 | D | 74.8 | Confident | 78.6 | Confident | 83 Ų | 83 | 68.1 Ų | 68.1 | 44% | 0.444 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -73.2 | -27.5 | 178.9 | -71.5 | -19.9 | 0 | 0 | 0 | 112.3 | V190 R196 | V190-D194 WeakPolarHBondContact CG1-OD2 3.16Å; V190-D194 WeakPolarHBondContact O-CB 3.29Å; V190-D194 PolarHBondContact O-N 3.45Å; D194-R196 PolarHBondContact O-N 3.13Å |
| 195 | S | 72 | Confident | 78.4 | Confident | 91 Ų | 91 | 65.9 Ų | 65.9 | 64% | 0.636 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -9.7 | 176.7 | 74.4 | 0 | 0 | 0 | 0 | 114 | A191 K192 | A191-S195 PolarHBondContact O-N 3.31Å; A191-S195 VanDerWaalsContact O-N 3.09Å; K192-S195 PolarHBondContact O-OG 3.2Å |
| 196 | R | 70.7 | Confident | 78.4 | Confident | 56 Ų | 56 | 63.8 Ų | 63.8 | 21% | 0.211 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -90.3 | 141.2 | -180 | -70.6 | 171 | 172.2 | -159.7 | -12.5 | 109.6 | K192 A193 D194 R198 E265 E272 | K192-R196 WeakPolarHBondContact O-CG 3.3Å; A193-R196 PolarHBondContact O-N 2.8Å; D194-R196 PolarHBondContact O-N 3.13Å; R196-R198 PolarHBondContact O-N 2.96Å; R196-E265 IonicContact CZ-OE1 3.61Å; R196-E265 IonicContact NH1-OE1 3.97Å; R196-E265 PolarHBondContact NH1-OE1 2.81Å; R196-E265 IonicContact NH2-OE1 3.82Å; R196-E265 PolarHBondContact NH2-OE1 3.22Å; R196-E272 IonicContact NH2-OE2 2.7Å |
| 197 | P | 69.6 | Low | 78.5 | Confident | 124 Ų | 124 | 66.5 Ų | 66.5 | 81% | 0.805 | 34% | 0.339 | S | S | * | . | trans | -59.4 | 122.8 | 171.1 | -20 | 31.3 | 0 | 0 | 0 | 110.1 | ||||
| 198 | R | 66.2 | Low | 78.7 | Confident | 67 Ų | 67 | 66.7 Ų | 66.7 | 25% | 0.253 | 34% | 0.341 | S | S | . | . | trans | -140.8 | 147.6 | 178 | -59.5 | -178.4 | 88.4 | 164.7 | 4.9 | 109.6 | R196 S200 F202 R245 | R196-R198 PolarHBondContact O-N 2.96Å; R198-S200 VanDerWaalsContact C-N 3.25Å; R198-S200 WeakPolarHBondContact CB-O 3.44Å; R198-S200 PolarHBondContact O-N 3.06Å; R198-F202 VanDerWaalsContact NH1-CD2 3.27Å; R198-R245 PolarHBondContact NH2-O 3.37Å | ||
| 199 | E | 64.5 | Low | 79.1 | Confident | 172 Ų | 172 | 61 Ų | 61 | 80% | 0.804 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -65.3 | -31.5 | 175.7 | -65 | 179.9 | 173.6 | 0 | 0 | 112 | ||
| 200 | S | 67.9 | Low | 79.6 | Confident | 63 Ų | 63 | 66 Ų | 66 | 44% | 0.441 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -132.5 | 152.5 | -178.7 | 70.2 | 0 | 0 | 0 | 0 | 112 | R198 | R198-S200 VanDerWaalsContact C-N 3.25Å; R198-S200 WeakPolarHBondContact CB-O 3.44Å; R198-S200 PolarHBondContact O-N 3.06Å |
| 201 | R | 69.9 | Low | 80.2 | Confident | 219 Ų | 219 | 73.7 Ų | 73.7 | 83% | 0.826 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 138.7 | 173.9 | -173.1 | 176.7 | -179.4 | -179.4 | 0.3 | 110.5 | V203 | R201-V203 PolarHBondContact O-N 3.34Š|
| 202 | F | 73.5 | Confident | 80.7 | Confident | 18 Ų | 18 | 74.8 Ų | 74.8 | 8% | 0.079 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 125.4 | 174.1 | 177.8 | -103.7 | 0 | 0 | 0 | 110.6 | V190 A193 R198 F204 L242 V246 | V190-F202 HydrophobicContact CG1-CD1 4.2Å; V190-F202 HydrophobicContact CG2-CD1 4.28Å; V190-F202 HydrophobicContact CG2-CE1 3.88Å; A193-F202 HydrophobicContact CB-CB 4.49Å; A193-F202 HydrophobicContact CB-CD1 4.39Å; A193-F202 HydrophobicContact CB-CG 4.2Å; R198-F202 VanDerWaalsContact NH1-CD2 3.27Å; F202-F204 HydrophobicContact CE1-CB 4.25Å; F202-F204 HydrophobicContact CE1-CD2 4.23Å; F202-L242 HydrophobicContact CE1-CD1 4.13Å; F202-L242 HydrophobicContact CZ-CD1 3.7Å; F202-V246 HydrophobicContact CD2-CG2 4.29Å; F202-V246 HydrophobicContact CE1-CG2 4.26Å; F202-V246 HydrophobicContact CE2-CB 4.27Å; F202-V246 HydrophobicContact CE2-CG2 3.41Å; F202-V246 VanDerWaalsContact CE2-CG2 3.41Å; F202-V246 HydrophobicContact CZ-CG2 3.4Å; F202-V246 VanDerWaalsContact CZ-CG2 3.4Å |
| 203 | V | 81.4 | Confident | 81.7 | Confident | 88 Ų | 88 | 72.8 Ų | 72.8 | 53% | 0.533 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -94.1 | 122.8 | 174.3 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | R201 | R201-V203 PolarHBondContact O-N 3.34Š|
| 204 | F | 88 | Confident | 82.7 | Confident | 7 Ų | 7 | 75.7 Ų | 75.7 | 3% | 0.031 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -81.8 | 121 | 177 | -175.7 | -102 | 0 | 0 | 0 | 109.7 | N181 R182 E186 V190 F202 Y206 D207 L242 | N181-F204 WeakPolarHBondContact O-CE1 3.38Å; R182-F204 HydrophobicContact CB-CZ 4.37Å; R182-F204 HydrophobicContact CG-CD1 3.97Å; R182-F204 HydrophobicContact CG-CD2 4.4Å; R182-F204 HydrophobicContact CG-CE1 3.55Å; R182-F204 HydrophobicContact CG-CE2 4.05Å; R182-F204 HydrophobicContact CG-CG 4.36Å; R182-F204 HydrophobicContact CG-CZ 3.6Å; E186-F204 HydrophobicContact CB-CE2 3.99Å; E186-F204 HydrophobicContact CB-CZ 4.17Å; E186-F204 HydrophobicContact CG-CE2 4.38Å; E186-F204 HydrophobicContact CG-CZ 4.42Å; V190-F204 HydrophobicContact CG2-CD2 3.55Å; V190-F204 HydrophobicContact CG2-CE2 4.08Å; V190-F204 HydrophobicContact CG2-CG 4.42Å; F202-F204 HydrophobicContact CE1-CB 4.25Å; F202-F204 HydrophobicContact CE1-CD2 4.23Å; F204-Y206 VanDerWaalsContact C-N 3.31Å; F204-Y206 AromaticContact CE1-CD2 3.91Å; F204-Y206 HydrophobicContact CE1-CD2 3.91Å; F204-Y206 HydrophobicContact CE1-CG 4.31Å; F204-Y206 HydrophobicContact CE2-CD2 4.31Å; F204-Y206 AromaticContact CZ-CD2 3.67Å; F204-Y206 HydrophobicContact CZ-CD2 3.67Å; F204-Y206 HydrophobicContact CZ-CG 4.49Å; F204-Y206 PolarHBondContact O-N 3.41Å; F204-D207 HydrophobicContact CD1-CB 3.99Å; F204-D207 PolarHBondContact O-N 3.46Å; F204-L242 HydrophobicContact CD2-CD1 3.95Å; F204-L242 HydrophobicContact CE2-CD1 3.88Å; F204-L242 HydrophobicContact CE2-CD2 3.91Å |
| 205 | P | 89.1 | Confident | 83.7 | Confident | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -19.7 | -164.5 | 27 | -35.8 | 0 | 0 | 0 | 114.7 | V233 V234 C237 T241 L242 | P205-V233 HydrophobicContact CB-CG1 4.43Å; P205-V233 CarbonylContact O-C 3.41Å; P205-V233 WeakPolarHBondContact O-CA 3.14Å; P205-V234 PolarHBondContact O-N 3.38Å; P205-C237 HydrophobicContact CB-CB 3.69Å; P205-T241 HydrophobicContact CB-CG2 3.88Å; P205-T241 HydrophobicContact CG-CG2 4.13Å; P205-L242 HydrophobicContact CG-CB 3.85Å |
| 206 | Y | 92.7 | Very high | 84.7 | Confident | 1 Ų | 1 | 72.8 Ų | 72.8 | 0% | 0.004 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 5.5 | -176.2 | -46.3 | -67.8 | 0 | 0 | 0 | 113.4 | R69 N181 F204 L208 N213 W231 V233 Q239 L242 | R69-Y206 HydrophobicContact CG-CD2 4.21Å; R69-Y206 HydrophobicContact CG-CE1 4.49Å; R69-Y206 HydrophobicContact CG-CE2 3.54Å; N181-Y206 WeakPolarHBondContact CB-O 3.44Å; N181-Y206 PolarHBondContact ND2-O 2.84Å; F204-Y206 VanDerWaalsContact C-N 3.31Å; F204-Y206 AromaticContact CE1-CD2 3.91Å; F204-Y206 HydrophobicContact CE1-CD2 3.91Å; F204-Y206 HydrophobicContact CE1-CG 4.31Å; F204-Y206 HydrophobicContact CE2-CD2 4.31Å; F204-Y206 AromaticContact CZ-CD2 3.67Å; F204-Y206 HydrophobicContact CZ-CD2 3.67Å; F204-Y206 HydrophobicContact CZ-CG 4.49Å; F204-Y206 PolarHBondContact O-N 3.41Å; Y206-L208 PolarHBondContact O-N 3.27Å; Y206-N213 PolarHBondContact O-OD1 3.31Å; Y206-W231 HydrophobicContact CD1-CB 3.7Å; Y206-W231 HydrophobicContact CD1-CG 4.32Å; Y206-W231 HydrophobicContact CE1-CB 3.64Å; Y206-W231 HydrophobicContact CE1-CG 4.06Å; Y206-V233 HydrophobicContact CD1-CG1 3.84Å; Y206-V233 HydrophobicContact CE1-CG1 3.73Å; Y206-Q239 PolarHBondContact OH-O 3.12Å; Y206-Q239 VanDerWaalsContact OH-O 3.13Å; Y206-L242 HydrophobicContact CE2-CB 4.16Å; Y206-L242 HydrophobicContact CE2-CD2 3.95Å |
| 207 | D | 93.1 | Very high | 85.9 | Confident | 57 Ų | 57 | 70.6 Ų | 70.6 | 31% | 0.305 | 34% | 0.338 | S | S | . | . | trans | -85.4 | 90.7 | 178.5 | -171.5 | -6.6 | 0 | 0 | 0 | 110.5 | F204 G209 N213 V234 | F204-D207 HydrophobicContact CD1-CB 3.99Å; F204-D207 PolarHBondContact O-N 3.46Å; D207-G209 VanDerWaalsContact C-N 3.27Å; D207-G209 PolarHBondContact O-N 2.79Å; D207-G209 PolarHBondContact OD1-N 3.18Å; D207-N213 PolarHBondContact OD1-ND2 2.86Å; D207-V234 WeakPolarHBondContact O-CG2 3.5Å | ||
| 208 | L | 93.8 | Very high | 87.1 | Confident | 53 Ų | 53 | 65.8 Ų | 65.8 | 28% | 0.277 | 30% | 0.304 | S | S | . | . | trans | -88.7 | 11.3 | -175.7 | -54.1 | 172.7 | 0 | 0 | 0 | 113 | Y206 E212 N213 P232 V234 | Y206-L208 PolarHBondContact O-N 3.27Å; L208-E212 HydrophobicContact CB-CB 3.88Å; L208-N213 PolarHBondContact N-OD1 3.41Å; L208-P232 HydrophobicContact CD1-CB 3.61Å; L208-P232 HydrophobicContact CD1-CG 3.59Å; L208-V234 HydrophobicContact CD2-CG2 4.1Å | ||
| 209 | G | 94.7 | Very high | 88.3 | Confident | 34 Ų | 34 | 63.8 Ų | 63.8 | 35% | 0.351 | 30% | 0.299 | S | S | . | . | trans | 92.2 | 146.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D207 R211 E212 N213 | D207-G209 VanDerWaalsContact C-N 3.27Å; D207-G209 PolarHBondContact O-N 2.79Å; D207-G209 PolarHBondContact OD1-N 3.18Å; G209-R211 VanDerWaalsContact C-N 3.27Å; G209-R211 PolarHBondContact O-N 3.44Å; G209-E212 PolarHBondContact O-N 3.43Å; G209-E212 VanDerWaalsContact O-N 3.08Å; G209-N213 WeakPolarHBondContact O-CB 3.24Å; G209-N213 PolarHBondContact O-N 3.4Å; G209-N213 PolarHBondContact O-ND2 3.44Å; G209-N213 PolarHBondContact O-OD1 3.19Å | ||
| 210 | W | 94.8 | Very high | 89.5 | Confident | 151 Ų | 151 | 61.6 Ų | 61.6 | 57% | 0.572 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -56.2 | -33.8 | -163.7 | 70.1 | -92.3 | 0 | 0 | 0 | 115.1 | F179 F214 | F179-W210 HydrophobicContact CD1-CB 4.25Å; F179-W210 HydrophobicContact CD1-CE3 4.29Å; F179-W210 HydrophobicContact CE1-CE3 4.11Å; W210-F214 VanDerWaalsContact O-CB 3.31Å; W210-F214 WeakPolarHBondContact O-CB 3.45Å; W210-F214 PolarHBondContact O-N 3.16Å |
| 211 | R | 95.3 | Very high | 90.6 | Very high | 163 Ų | 163 | 64.9 Ų | 64.9 | 62% | 0.615 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -69.9 | -49.1 | 177.9 | -67.3 | -174.7 | 178.4 | -177.2 | 0 | 111.6 | G209 F214 K215 | G209-R211 VanDerWaalsContact C-N 3.27Å; G209-R211 PolarHBondContact O-N 3.44Å; R211-F214 PolarHBondContact O-N 2.91Å; R211-K215 WeakPolarHBondContact O-CG 3.26Å; R211-K215 PolarHBondContact O-N 3.21Å |
| 212 | E | 94.8 | Very high | 91.4 | Very high | 80 Ų | 80 | 56.4 Ų | 56.4 | 37% | 0.374 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.8 | -39.5 | -179.7 | -66.2 | -50 | 124.2 | 0 | 0 | 110.9 | L208 G209 F214 K215 Q216 | L208-E212 HydrophobicContact CB-CB 3.88Å; G209-E212 PolarHBondContact O-N 3.43Å; G209-E212 VanDerWaalsContact O-N 3.08Å; E212-F214 VanDerWaalsContact C-N 3.33Å; E212-F214 PolarHBondContact O-N 2.75Å; E212-K215 PolarHBondContact O-N 2.83Å; E212-K215 IonicContact OE1-NZ 2.78Å; E212-K215 PolarHBondContact OE1-NZ 3.35Å; E212-K215 IonicContact OE2-NZ 2.74Å; E212-Q216 WeakPolarHBondContact O-CG 3.32Å; E212-Q216 PolarHBondContact O-N 3.09Å; E212-Q216 VanDerWaalsContact O-N 3.13Å |
| 213 | N | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56 | -46.1 | 171.6 | -69.2 | -13.5 | 0 | 0 | 0 | 112.2 | F179 N181 Y206 D207 L208 G209 Q216 | F179-N213 PolarHBondContact O-ND2 2.86Å; N181-N213 HydrophobicContact CB-CB 3.79Å; N181-N213 VanDerWaalsContact CB-CG 3.48Å; N181-N213 WeakPolarHBondContact CB-OD1 3.32Å; Y206-N213 PolarHBondContact O-OD1 3.31Å; D207-N213 PolarHBondContact OD1-ND2 2.86Å; L208-N213 PolarHBondContact N-OD1 3.41Å; G209-N213 WeakPolarHBondContact O-CB 3.24Å; G209-N213 PolarHBondContact O-N 3.4Å; G209-N213 PolarHBondContact O-ND2 3.44Å; G209-N213 PolarHBondContact O-OD1 3.19Å; N213-Q216 WeakPolarHBondContact O-CB 3.28Å; N213-Q216 PolarHBondContact O-N 3.36Å |
| 214 | F | 94.9 | Very high | 92.3 | Very high | 63 Ų | 63 | 57.4 Ų | 57.4 | 28% | 0.276 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 178.9 | -169 | -88.8 | 0 | 0 | 0 | 111.6 | L178 F179 W210 R211 E212 Q216 V217 F218 | L178-F214 HydrophobicContact CD2-CB 3.99Å; L178-F214 HydrophobicContact CD2-CD2 3.01Å; L178-F214 HydrophobicContact CD2-CE2 3.5Å; L178-F214 HydrophobicContact CD2-CG 3.66Å; F179-F214 HydrophobicContact CD1-CD2 4.14Å; F179-F214 HydrophobicContact CE1-CB 4.5Å; F179-F214 AromaticContact CE1-CD2 3.62Å; F179-F214 HydrophobicContact CE1-CD2 3.62Å; F179-F214 HydrophobicContact CE1-CE2 4.3Å; F179-F214 HydrophobicContact CE1-CG 4.36Å; F179-F214 HydrophobicContact CZ-CD2 4.01Å; F179-F214 HydrophobicContact CZ-CE2 4.25Å; W210-F214 VanDerWaalsContact O-CB 3.31Å; W210-F214 WeakPolarHBondContact O-CB 3.45Å; W210-F214 PolarHBondContact O-N 3.16Å; R211-F214 PolarHBondContact O-N 2.91Å; E212-F214 VanDerWaalsContact C-N 3.33Å; E212-F214 PolarHBondContact O-N 2.75Å; F214-Q216 VanDerWaalsContact C-N 3.25Å; F214-Q216 PolarHBondContact O-N 3.02Å; F214-V217 PolarHBondContact O-N 3.43Å; F214-V217 VanDerWaalsContact O-N 3.15Å; F214-F218 HydrophobicContact CD1-CB 3.72Å; F214-F218 HydrophobicContact CD1-CD2 4.35Å; F214-F218 HydrophobicContact CD1-CG 4.46Å; F214-F218 HydrophobicContact CD2-CD2 4.47Å; F214-F218 HydrophobicContact CE1-CB 3.31Å; F214-F218 AromaticContact CE1-CD2 3.77Å; F214-F218 HydrophobicContact CE1-CD2 3.77Å; F214-F218 AromaticContact CE1-CG 3.78Å; F214-F218 HydrophobicContact CE1-CG 3.78Å; F214-F218 AromaticContact CE2-CD2 3.86Å; F214-F218 HydrophobicContact CE2-CD2 3.86Å; F214-F218 HydrophobicContact CE2-CE2 4.43Å; F214-F218 HydrophobicContact CZ-CB 3.94Å; F214-F218 AromaticContact CZ-CD2 3.46Å; F214-F218 HydrophobicContact CZ-CD2 3.46Å; F214-F218 VanDerWaalsContact CZ-CD2 3.46Å; F214-F218 HydrophobicContact CZ-CE2 4.21Å; F214-F218 AromaticContact CZ-CG 3.87Å; F214-F218 HydrophobicContact CZ-CG 3.87Å; F214-F218 PolarHBondContact O-N 2.77Å |
| 215 | K | 94.9 | Very high | 92.5 | Very high | 96 Ų | 96 | 60.3 Ų | 60.3 | 42% | 0.417 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.4 | -28.1 | 177.6 | -72.6 | 173.6 | -174.8 | 171.1 | 0 | 114 | R211 E212 V217 F218 N219 I225 | R211-K215 WeakPolarHBondContact O-CG 3.26Å; R211-K215 PolarHBondContact O-N 3.21Å; E212-K215 PolarHBondContact O-N 2.83Å; E212-K215 IonicContact OE1-NZ 2.78Å; E212-K215 PolarHBondContact OE1-NZ 3.35Å; E212-K215 IonicContact OE2-NZ 2.74Å; K215-V217 PolarHBondContact O-N 2.95Å; K215-F218 CarbonylContact O-C 3.5Å; K215-N219 PolarHBondContact O-N 2.91Å; K215-I225 VanDerWaalsContact O-CD1 3.31Å; K215-I225 WeakPolarHBondContact O-CD1 3.46Å |
| 216 | Q | 94 | Very high | 92.6 | Very high | 16 Ų | 16 | 63.1 Ų | 63.1 | 8% | 0.075 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -26.5 | 175.6 | -65 | -59.3 | -48.7 | 0 | 0 | 112.8 | E212 N213 F214 | E212-Q216 WeakPolarHBondContact O-CG 3.32Å; E212-Q216 PolarHBondContact O-N 3.09Å; E212-Q216 VanDerWaalsContact O-N 3.13Å; N213-Q216 WeakPolarHBondContact O-CB 3.28Å; N213-Q216 PolarHBondContact O-N 3.36Å; F214-Q216 VanDerWaalsContact C-N 3.25Å; F214-Q216 PolarHBondContact O-N 3.02Å |
| 217 | V | 94.4 | Very high | 92.6 | Very high | 10 Ų | 10 | 66.9 Ų | 66.9 | 6% | 0.061 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | -41.3 | 177 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | Q99 R100 L178 F214 K215 | Q99-V217 HydrophobicContact CG-CG1 4.26Å; Q99-V217 HydrophobicContact CG-CG2 4.47Å; R100-V217 HydrophobicContact CB-CG1 3.96Å; L178-V217 HydrophobicContact CD1-CB 3.67Å; L178-V217 HydrophobicContact CD1-CG1 3.75Å; L178-V217 HydrophobicContact CD1-CG2 3.77Å; L178-V217 HydrophobicContact CG-CB 4.33Å; L178-V217 HydrophobicContact CG-CG2 4.19Å; F214-V217 PolarHBondContact O-N 3.43Å; F214-V217 VanDerWaalsContact O-N 3.15Å; K215-V217 PolarHBondContact O-N 2.95Å |
| 218 | F | 95 | Very high | 92.6 | Very high | 23 Ų | 23 | 64.1 Ų | 64.1 | 10% | 0.101 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -110.9 | 80 | -177.4 | -69.6 | -68.4 | 0 | 0 | 0 | 111.7 | R100 V103 M104 L178 F214 K215 | R100-F218 HydrophobicContact CG-CD1 3.91Å; R100-F218 HydrophobicContact CG-CE1 3.53Å; R100-F218 HydrophobicContact CG-CZ 4.33Å; V103-F218 HydrophobicContact CB-CE2 4.19Å; V103-F218 HydrophobicContact CB-CZ 3.83Å; V103-F218 HydrophobicContact CG1-CE2 3.79Å; V103-F218 HydrophobicContact CG1-CZ 3.69Å; M104-F218 HydrophobicContact CE-CD1 3.54Å; M104-F218 HydrophobicContact CE-CE1 3.09Å; M104-F218 HydrophobicContact CE-CZ 3.83Å; M104-F218 HydrophobicContact CG-CE1 3.59Å; M104-F218 HydrophobicContact CG-CZ 4.04Å; M104-F218 HydrophobicContact SD-CE1 4.09Å; L178-F218 HydrophobicContact CD1-CD2 3.91Å; L178-F218 HydrophobicContact CD1-CE2 3.65Å; L178-F218 HydrophobicContact CD2-CD2 4.14Å; L178-F218 HydrophobicContact CD2-CE2 4.47Å; F214-F218 HydrophobicContact CD1-CB 3.72Å; F214-F218 HydrophobicContact CD1-CD2 4.35Å; F214-F218 HydrophobicContact CD1-CG 4.46Å; F214-F218 HydrophobicContact CD2-CD2 4.47Å; F214-F218 HydrophobicContact CE1-CB 3.31Å; F214-F218 AromaticContact CE1-CD2 3.77Å; F214-F218 HydrophobicContact CE1-CD2 3.77Å; F214-F218 AromaticContact CE1-CG 3.78Å; F214-F218 HydrophobicContact CE1-CG 3.78Å; F214-F218 AromaticContact CE2-CD2 3.86Å; F214-F218 HydrophobicContact CE2-CD2 3.86Å; F214-F218 HydrophobicContact CE2-CE2 4.43Å; F214-F218 HydrophobicContact CZ-CB 3.94Å; F214-F218 AromaticContact CZ-CD2 3.46Å; F214-F218 HydrophobicContact CZ-CD2 3.46Å; F214-F218 VanDerWaalsContact CZ-CD2 3.46Å; F214-F218 HydrophobicContact CZ-CE2 4.21Å; F214-F218 AromaticContact CZ-CG 3.87Å; F214-F218 HydrophobicContact CZ-CG 3.87Å; F214-F218 PolarHBondContact O-N 2.77Å; K215-F218 CarbonylContact O-C 3.5Å |
| 219 | N | 92.5 | Very high | 92.6 | Very high | 25 Ų | 25 | 62.9 Ų | 62.9 | 13% | 0.134 | 34% | 0.343 | C | S | . | . | trans | -105.4 | 171.1 | 169.6 | 60.6 | 74.2 | 0 | 0 | 0 | 112 | R100 K215 N221 A222 V223 I225 | R100-N219 PolarHBondContact NH1-O 3.41Å; K215-N219 PolarHBondContact O-N 2.91Å; N219-N221 VanDerWaalsContact C-N 3.3Å; N219-N221 PolarHBondContact O-N 2.88Å; N219-N221 WeakPolarHBondContact OD1-CA 3.17Å; N219-N221 PolarHBondContact OD1-N 2.7Å; N219-A222 PolarHBondContact O-N 2.94Å; N219-A222 PolarHBondContact OD1-N 2.79Å; N219-A222 VanDerWaalsContact OD1-N 3.11Å; N219-V223 PolarHBondContact ND2-O 2.67Å; N219-V223 PolarHBondContact OD1-O 2.92Å; N219-I225 HydrophobicContact CB-CD1 4.12Å; N219-I225 HydrophobicContact CB-CG1 4.43Å; N219-I225 WeakPolarHBondContact ND2-CG1 3.48Å | ||
| 220 | S | 89.6 | Confident | 92.5 | Very high | 127 Ų | 127 | 65.2 Ų | 65.2 | 89% | 0.888 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -30.6 | -178.8 | -48.1 | 0 | 0 | 0 | 0 | 113.6 | A222 | S220-A222 VanDerWaalsContact C-N 3.26Å; S220-A222 PolarHBondContact O-N 3.12Å |
| 221 | N | 89.8 | Confident | 92.4 | Very high | 132 Ų | 132 | 58.4 Ų | 58.4 | 71% | 0.706 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -5.3 | -177.9 | -61.7 | -22.4 | 0 | 0 | 0 | 112.8 | N219 V223 | N219-N221 VanDerWaalsContact C-N 3.3Å; N219-N221 PolarHBondContact O-N 2.88Å; N219-N221 WeakPolarHBondContact OD1-CA 3.17Å; N219-N221 PolarHBondContact OD1-N 2.7Å; N221-V223 HydrophobicContact CB-CG2 3.8Å; N221-V223 PolarHBondContact O-N 2.86Å |
| 222 | A | 87 | Confident | 92.4 | Very high | 41 Ų | 41 | 53.5 Ų | 53.5 | 34% | 0.339 | 31% | 0.305 | S | S | . | . | trans | 53.4 | 20.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | N219 S220 | N219-A222 PolarHBondContact O-N 2.94Å; N219-A222 PolarHBondContact OD1-N 2.79Å; N219-A222 VanDerWaalsContact OD1-N 3.11Å; S220-A222 VanDerWaalsContact C-N 3.26Å; S220-A222 PolarHBondContact O-N 3.12Å | ||
| 223 | V | 87.9 | Confident | 92.3 | Very high | 83 Ų | 83 | 51.5 Ų | 51.5 | 50% | 0.503 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -115.6 | 149.1 | 175.2 | -65.7 | 0 | 0 | 0 | 0 | 110.2 | N219 N221 I225 | N219-V223 PolarHBondContact ND2-O 2.67Å; N219-V223 PolarHBondContact OD1-O 2.92Å; N221-V223 HydrophobicContact CB-CG2 3.8Å; N221-V223 PolarHBondContact O-N 2.86Å; V223-I225 PolarHBondContact O-N 3.33Å |
| 224 | P | 87 | Confident | 92 | Very high | 43 Ų | 43 | 53.6 Ų | 53.6 | 28% | 0.279 | 31% | 0.311 | S | S | . | . | trans | -56.2 | 137.2 | 174.6 | -21.1 | 31 | 0 | 0 | 0 | 111.8 | F96 | F96-P224 HydrophobicContact CD1-CB 4.19Å; F96-P224 HydrophobicContact CD2-CB 3.87Å; F96-P224 HydrophobicContact CE1-CB 3.7Å; F96-P224 HydrophobicContact CE1-CG 4.46Å; F96-P224 HydrophobicContact CE2-CB 3.38Å; F96-P224 HydrophobicContact CG-CB 4.28Å; F96-P224 HydrophobicContact CZ-CB 3.28Å; F96-P224 HydrophobicContact CZ-CG 4.45Å; F96-P224 WeakPolarHBondContact O-CG 3.26Å | ||
| 225 | I | 91.1 | Very high | 91.6 | Very high | 69 Ų | 69 | 58.2 Ų | 58.2 | 35% | 0.354 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -79.7 | 129.4 | 176.5 | -57 | -176 | 0 | 0 | 0 | 109.2 | F96 K215 N219 V223 | F96-I225 WeakPolarHBondContact CE2-O 3.47Å; F96-I225 WeakPolarHBondContact CZ-O 3.45Å; K215-I225 VanDerWaalsContact O-CD1 3.31Å; K215-I225 WeakPolarHBondContact O-CD1 3.46Å; N219-I225 HydrophobicContact CB-CD1 4.12Å; N219-I225 HydrophobicContact CB-CG1 4.43Å; N219-I225 WeakPolarHBondContact ND2-CG1 3.48Å; V223-I225 PolarHBondContact O-N 3.33Å |
| 226 | G | 91.2 | Very high | 90.9 | Very high | 58 Ų | 58 | 56.6 Ų | 56.6 | 60% | 0.598 | 35% | 0.349 | S | S | * | . | S | Bend | trans | 88.4 | -172.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | F96 | F96-G226 WeakPolarHBondContact CZ-O 3.32Š|
| 227 | D | 92.3 | Very high | 90.4 | Very high | 80 Ų | 80 | 57 Ų | 57 | 43% | 0.428 | 35% | 0.353 | S | S | . | . | trans | -92.2 | -7.9 | -179.3 | 63.1 | 0.6 | 0 | 0 | 0 | 113.3 | I229 Y230 | D227-I229 PolarHBondContact O-N 3.49Å; D227-I229 WeakPolarHBondContact OD1-CA 3.29Å; D227-I229 PolarHBondContact OD1-N 3.33Å; D227-Y230 PolarHBondContact OD1-N 2.93Å; D227-Y230 WeakPolarHBondContact OD2-CD2 3.4Å | ||
| 228 | G | 93 | Very high | 90 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 37% | 0.369 | C | S | . | . | S | Bend | trans | 77.8 | 3.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L81 W231 | L81-G228 WeakPolarHBondContact CD2-O 3.22Å; G228-W231 VanDerWaalsContact C-CZ2 3.5Å; G228-W231 WeakPolarHBondContact O-CZ2 3.24Å |
| 229 | I | 94.1 | Very high | 89.6 | Confident | 26 Ų | 26 | 60.7 Ų | 60.7 | 13% | 0.133 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -104.6 | -50.7 | 177.8 | -64.5 | 170.3 | 0 | 0 | 0 | 109.2 | L41 W45 A67 P68 L81 D227 W231 | L41-I229 HydrophobicContact CD1-CD1 4.21Å; L41-I229 HydrophobicContact CD1-CG1 4.06Å; W45-I229 HydrophobicContact CH2-CG2 4.15Å; W45-I229 HydrophobicContact CZ2-CD1 4.4Å; W45-I229 HydrophobicContact CZ2-CG2 3.51Å; A67-I229 HydrophobicContact CB-CB 4.3Å; A67-I229 HydrophobicContact CB-CG1 4.25Å; A67-I229 HydrophobicContact CB-CG2 3.9Å; P68-I229 WeakPolarHBondContact CD-O 3.3Å; L81-I229 HydrophobicContact CD2-CG1 4.32Å; D227-I229 PolarHBondContact O-N 3.49Å; D227-I229 WeakPolarHBondContact OD1-CA 3.29Å; D227-I229 PolarHBondContact OD1-N 3.33Å; I229-W231 PolarHBondContact O-NE1 3Å |
| 230 | Y | 93.3 | Very high | 89.1 | Confident | 83 Ų | 83 | 60.3 Ų | 60.3 | 33% | 0.325 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -105.9 | 136.9 | 178.7 | -59.6 | -75.6 | 0 | 0 | 0 | 110.3 | D227 Q239 | D227-Y230 PolarHBondContact OD1-N 2.93Å; D227-Y230 WeakPolarHBondContact OD2-CD2 3.4Å; Y230-Q239 HydrophobicContact CD1-CG 4.26Å |
| 231 | W | 93.7 | Very high | 88.5 | Confident | 9 Ų | 9 | 54.4 Ų | 54.4 | 3% | 0.034 | 33% | 0.328 | C | S | . | . | trans | -126.7 | 144.8 | -171.6 | -56.3 | 90.7 | 0 | 0 | 0 | 111 | P68 K82 F96 Y206 G228 I229 V233 Q239 | P68-W231 PolarHBondContact O-NE1 3.35Å; K82-W231 HydrophobicContact CB-CH2 3.63Å; K82-W231 HydrophobicContact CB-CZ2 3.75Å; K82-W231 HydrophobicContact CD-CH2 3.65Å; K82-W231 HydrophobicContact CD-CZ2 4.45Å; K82-W231 HydrophobicContact CD-CZ3 3.97Å; K82-W231 HydrophobicContact CG-CH2 3.88Å; K82-W231 HydrophobicContact CG-CZ2 4.19Å; F96-W231 AromaticContact CD2-CH2 3.4Å; F96-W231 HydrophobicContact CD2-CH2 3.4Å; F96-W231 VanDerWaalsContact CD2-CH2 3.4Å; F96-W231 HydrophobicContact CD2-CZ2 4.49Å; F96-W231 AromaticContact CD2-CZ3 3.92Å; F96-W231 HydrophobicContact CD2-CZ3 3.92Å; F96-W231 AromaticContact CE2-CH2 3.64Å; F96-W231 HydrophobicContact CE2-CH2 3.64Å; F96-W231 AromaticContact CE2-CZ3 3.77Å; F96-W231 HydrophobicContact CE2-CZ3 3.77Å; F96-W231 HydrophobicContact CG-CH2 4.11Å; Y206-W231 HydrophobicContact CD1-CB 3.7Å; Y206-W231 HydrophobicContact CD1-CG 4.32Å; Y206-W231 HydrophobicContact CE1-CB 3.64Å; Y206-W231 HydrophobicContact CE1-CG 4.06Å; G228-W231 VanDerWaalsContact C-CZ2 3.5Å; G228-W231 WeakPolarHBondContact O-CZ2 3.24Å; I229-W231 PolarHBondContact O-NE1 3Å; W231-V233 PolarHBondContact O-N 3.4Å; W231-Q239 PolarHBondContact O-NE2 3.48Å; W231-Q239 PolarHBondContact O-OE1 2.98Å | ||
| 232 | P | 93.8 | Very high | 87.8 | Confident | 59 Ų | 59 | 48.7 Ų | 48.7 | 38% | 0.383 | 30% | 0.298 | S | S | . | . | trans | -60.7 | 134.8 | 166.2 | 25.7 | -32.3 | 0 | 0 | 0 | 110 | L208 | L208-P232 HydrophobicContact CD1-CB 3.61Å; L208-P232 HydrophobicContact CD1-CG 3.59Å | ||
| 233 | V | 92.2 | Very high | 86.9 | Confident | 38 Ų | 38 | 47.9 Ų | 47.9 | 23% | 0.23 | 29% | 0.288 | C | S | . | . | trans | -123.7 | 152.6 | -178.2 | -67.6 | 0 | 0 | 0 | 0 | 110.8 | P205 Y206 W231 C237 | P205-V233 HydrophobicContact CB-CG1 4.43Å; P205-V233 CarbonylContact O-C 3.41Å; P205-V233 WeakPolarHBondContact O-CA 3.14Å; Y206-V233 HydrophobicContact CD1-CG1 3.84Å; Y206-V233 HydrophobicContact CE1-CG1 3.73Å; W231-V233 PolarHBondContact O-N 3.4Å; V233-C237 HydrophobicContact CB-CB 4.33Å | ||
| 234 | V | 90.5 | Very high | 85.6 | Confident | 44 Ų | 44 | 44.3 Ų | 44.3 | 27% | 0.267 | 27% | 0.267 | S | S | . | . | trans | -64.4 | 146 | 174.2 | 180 | 0 | 0 | 0 | 0 | 110.4 | P205 D207 L208 G236 C237 | P205-V234 PolarHBondContact O-N 3.38Å; D207-V234 WeakPolarHBondContact O-CG2 3.5Å; L208-V234 HydrophobicContact CD2-CG2 4.1Å; V234-G236 PolarHBondContact O-N 3.05Å; V234-C237 VanDerWaalsContact O-CB 3.28Å; V234-C237 WeakPolarHBondContact O-CB 3.49Å; V234-C237 PolarHBondContact O-N 3.4Å | ||
| 235 | D | 85.5 | Confident | 83.9 | Confident | 161 Ų | 161 | 47.8 Ų | 47.8 | 86% | 0.861 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | 134 | 175.5 | -65.4 | -32 | 0 | 0 | 0 | 112 | C237 | D235-C237 VanDerWaalsContact C-N 3.29Å; D235-C237 PolarHBondContact O-N 3.48Å |
| 236 | G | 80.9 | Confident | 81.9 | Confident | 62 Ų | 62 | 45 Ų | 45 | 64% | 0.639 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | -1.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | V234 R245 | V234-G236 PolarHBondContact O-N 3.05Å; G236-R245 PolarHBondContact O-NH1 2.86Å |
| 237 | C | 83.7 | Confident | 79.7 | Confident | 23 Ų | 23 | 44 Ų | 44 | 16% | 0.155 | 24% | 0.239 | C | C | . | . | trans | -105.3 | 160.9 | 168.5 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | P205 V233 V234 D235 T241 | P205-C237 HydrophobicContact CB-CB 3.69Å; V233-C237 HydrophobicContact CB-CB 4.33Å; V234-C237 VanDerWaalsContact O-CB 3.28Å; V234-C237 WeakPolarHBondContact O-CB 3.49Å; V234-C237 PolarHBondContact O-N 3.4Å; D235-C237 VanDerWaalsContact C-N 3.29Å; D235-C237 PolarHBondContact O-N 3.48Å; C237-T241 HydrophobicContact CB-CG2 3.96Å | ||
| 238 | D | 85.4 | Confident | 77.2 | Confident | 72 Ų | 72 | 41.5 Ų | 41.5 | 39% | 0.385 | 23% | 0.225 | S | C | . | . | trans | -123.2 | 172.1 | 172.6 | 61.1 | 40.3 | 0 | 0 | 0 | 110.7 | Y240 T241 | D238-Y240 PolarHBondContact O-N 2.9Å; D238-Y240 WeakPolarHBondContact OD1-CA 3.48Å; D238-Y240 PolarHBondContact OD1-N 3.26Å; D238-T241 PolarHBondContact N-OG1 3.3Å; D238-T241 VanDerWaalsContact O-CB 3.24Å; D238-T241 WeakPolarHBondContact O-CB 3.27Å; D238-T241 PolarHBondContact O-N 2.89Å; D238-T241 PolarHBondContact O-OG1 3.38Å; D238-T241 WeakPolarHBondContact OD1-CA 3.38Å; D238-T241 PolarHBondContact OD1-N 3.35Å; D238-T241 PolarHBondContact OD1-OG1 3.45Å | ||
| 239 | Q | 86.2 | Confident | 74.8 | Confident | 40 Ų | 40 | 47.1 Ų | 47.1 | 19% | 0.187 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -24.6 | 179.5 | -63.1 | -55.9 | -48.2 | 0 | 0 | 113.6 | P68 Y206 Y230 W231 | P68-Q239 HydrophobicContact CG-CB 4.29Å; Y206-Q239 PolarHBondContact OH-O 3.12Å; Y206-Q239 VanDerWaalsContact OH-O 3.13Å; Y230-Q239 HydrophobicContact CD1-CG 4.26Å; W231-Q239 PolarHBondContact O-NE2 3.48Å; W231-Q239 PolarHBondContact O-OE1 2.98Å |
| 240 | Y | 83.4 | Confident | 72.5 | Confident | 17 Ų | 17 | 53.3 Ų | 53.3 | 7% | 0.067 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 0.3 | -174.4 | -52.4 | -59 | 0 | 0 | 0 | 111.8 | E52 Y55 L56 P68 D238 L242 T243 V244 | E52-Y240 HydrophobicContact CB-CE2 4.18Å; E52-Y240 HydrophobicContact CG-CE2 3.99Å; E52-Y240 PolarHBondContact OE2-OH 2.93Å; Y55-Y240 AromaticContact CD2-CD2 3.75Å; Y55-Y240 HydrophobicContact CD2-CD2 3.75Å; Y55-Y240 HydrophobicContact CD2-CE2 4.24Å; Y55-Y240 HydrophobicContact CD2-CG 4.1Å; Y55-Y240 HydrophobicContact CE2-CD2 4.46Å; Y55-Y240 HydrophobicContact CG-CD2 4.23Å; Y55-Y240 HydrophobicContact CG-CG 4.12Å; L56-Y240 HydrophobicContact CD1-CE1 4.32Å; L56-Y240 HydrophobicContact CD2-CD1 3.68Å; L56-Y240 HydrophobicContact CD2-CE1 3.51Å; L56-Y240 HydrophobicContact CG-CD1 4.37Å; L56-Y240 HydrophobicContact CG-CE1 4.02Å; P68-Y240 HydrophobicContact CG-CD1 4.15Å; P68-Y240 HydrophobicContact CG-CE1 3.85Å; D238-Y240 PolarHBondContact O-N 2.9Å; D238-Y240 WeakPolarHBondContact OD1-CA 3.48Å; D238-Y240 PolarHBondContact OD1-N 3.26Å; Y240-L242 VanDerWaalsContact C-N 3.28Å; Y240-L242 PolarHBondContact O-N 3.03Å; Y240-T243 CarbonylContact O-C 3.3Å; Y240-T243 VanDerWaalsContact O-CA 3.31Å; Y240-T243 WeakPolarHBondContact O-CA 3.41Å; Y240-T243 WeakPolarHBondContact O-CB 3.1Å; Y240-T243 PolarHBondContact O-N 2.82Å; Y240-V244 WeakPolarHBondContact O-CB 2.98Å; Y240-V244 VanDerWaalsContact O-CG2 3.24Å; Y240-V244 WeakPolarHBondContact O-CG2 3.35Å; Y240-V244 PolarHBondContact O-N 3.29Å |
| 241 | T | 76.7 | Confident | 70 | Confident | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.3 | -34.8 | -171.7 | -76.6 | 0 | 0 | 0 | 0 | 112.5 | P205 C237 D238 T243 R245 | P205-T241 HydrophobicContact CB-CG2 3.88Å; P205-T241 HydrophobicContact CG-CG2 4.13Å; C237-T241 HydrophobicContact CB-CG2 3.96Å; D238-T241 PolarHBondContact N-OG1 3.3Å; D238-T241 VanDerWaalsContact O-CB 3.24Å; D238-T241 WeakPolarHBondContact O-CB 3.27Å; D238-T241 PolarHBondContact O-N 2.89Å; D238-T241 PolarHBondContact O-OG1 3.38Å; D238-T241 WeakPolarHBondContact OD1-CA 3.38Å; D238-T241 PolarHBondContact OD1-N 3.35Å; D238-T241 PolarHBondContact OD1-OG1 3.45Å; T241-T243 VanDerWaalsContact C-N 3.35Å; T241-R245 HydrophobicContact CG2-CB 3.95Å; T241-R245 HydrophobicContact CG2-CG 4.13Å; T241-R245 VanDerWaalsContact O-CA 3.29Å; T241-R245 WeakPolarHBondContact O-CA 3.33Å; T241-R245 VanDerWaalsContact O-CB 3.3Å; T241-R245 WeakPolarHBondContact O-CB 3.39Å; T241-R245 PolarHBondContact O-N 2.84Å |
| 242 | L | 76 | Confident | 67.5 | Low | 13 Ų | 13 | 67.8 Ų | 67.8 | 7% | 0.068 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -69.7 | -37.1 | 173.2 | -170.9 | 65 | 0 | 0 | 0 | 111.5 | E186 I189 F202 F204 P205 Y206 Y240 V246 | E186-L242 HydrophobicContact CG-CD2 3.91Å; I189-L242 HydrophobicContact CG2-CD1 4.32Å; F202-L242 HydrophobicContact CE1-CD1 4.13Å; F202-L242 HydrophobicContact CZ-CD1 3.7Å; F204-L242 HydrophobicContact CD2-CD1 3.95Å; F204-L242 HydrophobicContact CE2-CD1 3.88Å; F204-L242 HydrophobicContact CE2-CD2 3.91Å; P205-L242 HydrophobicContact CG-CB 3.85Å; Y206-L242 HydrophobicContact CE2-CB 4.16Å; Y206-L242 HydrophobicContact CE2-CD2 3.95Å; Y240-L242 VanDerWaalsContact C-N 3.28Å; Y240-L242 PolarHBondContact O-N 3.03Å; L242-V246 HydrophobicContact CD1-CG2 3.8Å; L242-V246 WeakPolarHBondContact O-CG2 3.22Å |
| 243 | T | 67.2 | Low | 65.2 | Low | 23 Ų | 23 | 66.5 Ų | 66.5 | 14% | 0.141 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -76.4 | -28 | 179 | -41.6 | 0 | 0 | 0 | 0 | 112.4 | Y55 Y240 T241 F247 T262 | Y55-T243 WeakPolarHBondContact O-CG2 3.48Å; Y240-T243 CarbonylContact O-C 3.3Å; Y240-T243 VanDerWaalsContact O-CA 3.31Å; Y240-T243 WeakPolarHBondContact O-CA 3.41Å; Y240-T243 WeakPolarHBondContact O-CB 3.1Å; Y240-T243 PolarHBondContact O-N 2.82Å; T241-T243 VanDerWaalsContact C-N 3.35Å; T243-F247 WeakPolarHBondContact O-CD2 3.42Å; T243-F247 WeakPolarHBondContact O-CE2 3.35Å; T243-T262 HydrophobicContact CG2-CG2 4.32Å; T243-T262 WeakPolarHBondContact O-CG2 2.71Å |
| 244 | V | 61.2 | Low | 63 | Low | 9 Ų | 9 | 70 Ų | 70 | 6% | 0.055 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -105.8 | -59.4 | -171.6 | 176.6 | 0 | 0 | 0 | 0 | 110.1 | Y55 Y240 V246 F247 F248 T262 | Y55-V244 HydrophobicContact CD1-CG2 3.54Å; Y55-V244 HydrophobicContact CE1-CG2 4.29Å; Y55-V244 HydrophobicContact CG-CG2 4.04Å; Y240-V244 WeakPolarHBondContact O-CB 2.98Å; Y240-V244 VanDerWaalsContact O-CG2 3.24Å; Y240-V244 WeakPolarHBondContact O-CG2 3.35Å; Y240-V244 PolarHBondContact O-N 3.29Å; V244-V246 PolarHBondContact O-N 2.8Å; V244-F247 WeakPolarHBondContact O-CA 3.44Å; V244-F247 WeakPolarHBondContact O-CB 3.22Å; V244-F247 WeakPolarHBondContact O-CD2 3.29Å; V244-F247 PolarHBondContact O-N 3.43Å; V244-F248 HydrophobicContact CB-CD2 4.49Å; V244-F248 HydrophobicContact CG1-CD2 3.42Å; V244-F248 VanDerWaalsContact CG1-CD2 3.42Å; V244-F248 HydrophobicContact CG1-CE2 3.34Å; V244-F248 HydrophobicContact CG1-CZ 4.46Å; V244-F248 WeakPolarHBondContact O-CD2 3.44Å; V244-T262 HydrophobicContact CB-CG2 4.37Å; V244-T262 HydrophobicContact CG2-CG2 3.78Å |
| 245 | R | 50.7 | Low | 60.8 | Low | 115 Ų | 115 | 75.4 Ų | 75.4 | 43% | 0.434 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -7.2 | -173.6 | -68.5 | -166.5 | 175.2 | 157.2 | -1.1 | 117.3 | R198 G236 T241 F247 | R198-R245 PolarHBondContact NH2-O 3.37Å; G236-R245 PolarHBondContact O-NH1 2.86Å; T241-R245 HydrophobicContact CG2-CB 3.95Å; T241-R245 HydrophobicContact CG2-CG 4.13Å; T241-R245 VanDerWaalsContact O-CA 3.29Å; T241-R245 WeakPolarHBondContact O-CA 3.33Å; T241-R245 VanDerWaalsContact O-CB 3.3Å; T241-R245 WeakPolarHBondContact O-CB 3.39Å; T241-R245 PolarHBondContact O-N 2.84Å; R245-F247 PolarHBondContact O-N 3Å |
| 246 | V | 49.6 | Very low | 58.5 | Low | 10 Ų | 10 | 78.6 Ų | 78.6 | 6% | 0.061 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -16.4 | 157.6 | 174.1 | 0 | 0 | 0 | 0 | 110.1 | I189 A193 F202 L242 V244 | I189-V246 HydrophobicContact CG2-CG1 4.29Å; I189-V246 HydrophobicContact CG2-CG2 3.97Å; A193-V246 HydrophobicContact CB-CG1 3.9Å; F202-V246 HydrophobicContact CD2-CG2 4.29Å; F202-V246 HydrophobicContact CE1-CG2 4.26Å; F202-V246 HydrophobicContact CE2-CB 4.27Å; F202-V246 HydrophobicContact CE2-CG2 3.41Å; F202-V246 VanDerWaalsContact CE2-CG2 3.41Å; F202-V246 HydrophobicContact CZ-CG2 3.4Å; F202-V246 VanDerWaalsContact CZ-CG2 3.4Å; L242-V246 HydrophobicContact CD1-CG2 3.8Å; L242-V246 WeakPolarHBondContact O-CG2 3.22Å; V244-V246 PolarHBondContact O-N 2.8Å |
| 247 | F | 44.4 | Very low | 56.7 | Low | 37 Ų | 37 | 80.8 Ų | 80.8 | 16% | 0.162 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -114.5 | -11.1 | -168.9 | -52.2 | -89.5 | 0 | 0 | 0 | 116.6 | T243 V244 R245 E265 | T243-F247 WeakPolarHBondContact O-CD2 3.42Å; T243-F247 WeakPolarHBondContact O-CE2 3.35Å; V244-F247 WeakPolarHBondContact O-CA 3.44Å; V244-F247 WeakPolarHBondContact O-CB 3.22Å; V244-F247 WeakPolarHBondContact O-CD2 3.29Å; V244-F247 PolarHBondContact O-N 3.43Å; R245-F247 PolarHBondContact O-N 3Å; F247-E265 HydrophobicContact CD1-CB 3.05Å; F247-E265 HydrophobicContact CD1-CG 3.1Å; F247-E265 HydrophobicContact CE1-CB 3.27Å; F247-E265 HydrophobicContact CE1-CG 3.07Å; F247-E265 HydrophobicContact CG-CB 4.18Å; F247-E265 HydrophobicContact CG-CG 4.43Å; F247-E265 HydrophobicContact CZ-CG 4.41Å |
| 248 | F | 40.2 | Very low | 54.7 | Low | 28 Ų | 28 | 80.9 Ų | 80.9 | 12% | 0.123 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -85.3 | -16.2 | -161.3 | -105.6 | -81.6 | 0 | 0 | 0 | 119.8 | V244 C258 L261 | V244-F248 HydrophobicContact CB-CD2 4.49Å; V244-F248 HydrophobicContact CG1-CD2 3.42Å; V244-F248 VanDerWaalsContact CG1-CD2 3.42Å; V244-F248 HydrophobicContact CG1-CE2 3.34Å; V244-F248 HydrophobicContact CG1-CZ 4.46Å; V244-F248 WeakPolarHBondContact O-CD2 3.44Å; F248-C258 HydrophobicContact CE1-CB 4.18Å; F248-C258 WeakPolarHBondContact CE1-SG 3.49Å; F248-C258 HydrophobicContact CE2-CB 4.4Å; F248-C258 HydrophobicContact CZ-CB 3.87Å; F248-C258 WeakPolarHBondContact CZ-SG 3.38Å; F248-L261 HydrophobicContact CD1-CD1 4.33Å; F248-L261 HydrophobicContact CE1-CD1 3.42Å; F248-L261 VanDerWaalsContact CE1-CD1 3.42Å; F248-L261 HydrophobicContact CE2-CB 4Å; F248-L261 HydrophobicContact CE2-CD1 3.99Å; F248-L261 HydrophobicContact CZ-CB 3.82Å; F248-L261 HydrophobicContact CZ-CD1 3.11Å; F248-L261 HydrophobicContact CZ-CG 3.98Å |
| 249 | F | 43 | Very low | 52.7 | Low | 118 Ų | 118 | 80.1 Ų | 80.1 | 52% | 0.518 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 4.6 | -161.7 | -110.7 | -90.1 | 0 | 0 | 0 | 116.5 | ||
| 250 | Q | 44.2 | Very low | 50.5 | Low | 157 Ų | 157 | 85.5 Ų | 85.5 | 73% | 0.734 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -7.9 | -177.9 | -130.9 | 179.7 | -2.3 | 0 | 0 | 114.6 | ||
| 251 | K | 41.5 | Very low | 48.7 | Very low | 177 Ų | 177 | 87.1 Ų | 87.1 | 77% | 0.77 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -144.2 | 128.3 | 171.6 | -75.4 | -169.2 | 174.3 | -177.4 | 0 | 110.5 | A253 | K251-A253 VanDerWaalsContact O-CB 3.26Å; K251-A253 WeakPolarHBondContact O-CB 3.2Å; K251-A253 PolarHBondContact O-N 2.68Å |
| 252 | K | 41.7 | Very low | 47.2 | Very low | 219 Ų | 219 | 87.2 Ų | 87.2 | 95% | 0.952 | 41% | 0.413 | S | S | * | . | trans | -51.6 | 110 | 165.3 | -82.1 | -178.7 | 175.6 | 178 | 0 | 108.5 | ||||
| 253 | A | 45.9 | Very low | 45.9 | Very low | 31 Ų | 31 | 92 Ų | 92 | 26% | 0.256 | 44% | 0.435 | S | S | . | . | trans | -147.8 | 106.8 | -168.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | K251 Q257 | K251-A253 VanDerWaalsContact O-CB 3.26Å; K251-A253 WeakPolarHBondContact O-CB 3.2Å; K251-A253 PolarHBondContact O-N 2.68Å; A253-Q257 HydrophobicContact CB-CB 3.83Å; A253-Q257 HydrophobicContact CB-CG 4.4Å | ||
| 254 | T | 44.5 | Very low | 45.2 | Very low | 113 Ų | 113 | 93.6 Ų | 93.6 | 69% | 0.693 | 44% | 0.444 | S | S | * | . | trans | -50 | 148.2 | 172.6 | 42.1 | 0 | 0 | 0 | 0 | 111.1 | W256 Q257 | T254-W256 PolarHBondContact O-N 2.87Å; T254-Q257 PolarHBondContact O-N 3.04Å | ||
| 255 | L | 44.5 | Very low | 44.7 | Very low | 156 Ų | 156 | 94 Ų | 94 | 82% | 0.817 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -36.4 | -23.2 | -174 | -155.7 | 71.8 | 0 | 0 | 0 | 117.2 | ||
| 256 | W | 37.1 | Very low | 45 | Very low | 228 Ų | 228 | 91.6 Ų | 91.6 | 86% | 0.864 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -72.5 | -21.7 | 175.7 | -73.9 | 97.2 | 0 | 0 | 0 | 116 | T254 C258 | T254-W256 PolarHBondContact O-N 2.87Å; W256-C258 PolarHBondContact O-N 3.42Å |
| 257 | Q | 43.9 | Very low | 45.6 | Very low | 109 Ų | 109 | 95.8 Ų | 95.8 | 51% | 0.509 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -80.7 | -1.3 | 179.1 | -93.6 | 166.5 | -30.8 | 0 | 0 | 113.8 | A253 T254 V259 L261 | A253-Q257 HydrophobicContact CB-CB 3.83Å; A253-Q257 HydrophobicContact CB-CG 4.4Å; T254-Q257 PolarHBondContact O-N 3.04Å; Q257-V259 PolarHBondContact O-N 2.89Å; Q257-V259 VanDerWaalsContact O-N 3.14Å; Q257-L261 WeakPolarHBondContact O-CD1 3.34Å |
| 258 | C | 41.7 | Very low | 46.6 | Very low | 24 Ų | 24 | 98.4 Ų | 98.4 | 16% | 0.162 | 48% | 0.475 | C | S | . | . | G | 310 helix | trans | -61 | -21.8 | 179.2 | -74.2 | 0 | 0 | 0 | 0 | 116.1 | Y55 F248 W256 | Y55-C258 HydrophobicContact CE1-CB 4.44Å; F248-C258 HydrophobicContact CE1-CB 4.18Å; F248-C258 WeakPolarHBondContact CE1-SG 3.49Å; F248-C258 HydrophobicContact CE2-CB 4.4Å; F248-C258 HydrophobicContact CZ-CB 3.87Å; F248-C258 WeakPolarHBondContact CZ-SG 3.38Å; W256-C258 PolarHBondContact O-N 3.42Å |
| 259 | V | 42.9 | Very low | 47.8 | Very low | 57 Ų | 57 | 98.8 Ų | 98.8 | 35% | 0.345 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -83.5 | -21.1 | -160.8 | 176.8 | 0 | 0 | 0 | 0 | 114.1 | R54 Q257 | R54-V259 HydrophobicContact CB-CG1 4.14Å; R54-V259 HydrophobicContact CG-CG1 4.35Å; Q257-V259 PolarHBondContact O-N 2.89Å; Q257-V259 VanDerWaalsContact O-N 3.14Å |
| 260 | Q | 41.1 | Very low | 49 | Very low | 152 Ų | 152 | 99.2 Ų | 99.2 | 71% | 0.71 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | -13.2 | -177 | -73.7 | -176.1 | -33.8 | 0 | 0 | 114.8 | T262 V264 | Q260-T262 PolarHBondContact O-N 3.32Å; Q260-V264 HydrophobicContact CB-CG2 4.3Å; Q260-V264 WeakPolarHBondContact O-CB 3.42Å; Q260-V264 WeakPolarHBondContact O-CG2 3.44Å; Q260-V264 PolarHBondContact O-N 3.46Å; Q260-V264 VanDerWaalsContact O-N 3.17Å |
| 261 | L | 45 | Very low | 50.1 | Low | 51 Ų | 51 | 95.6 Ų | 95.6 | 27% | 0.267 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -77.4 | -25.2 | -160.4 | -78 | 169.7 | 0 | 0 | 0 | 115.7 | F248 Q257 V264 E265 | F248-L261 HydrophobicContact CD1-CD1 4.33Å; F248-L261 HydrophobicContact CE1-CD1 3.42Å; F248-L261 VanDerWaalsContact CE1-CD1 3.42Å; F248-L261 HydrophobicContact CE2-CB 4Å; F248-L261 HydrophobicContact CE2-CD1 3.99Å; F248-L261 HydrophobicContact CZ-CB 3.82Å; F248-L261 HydrophobicContact CZ-CD1 3.11Å; F248-L261 HydrophobicContact CZ-CG 3.98Å; Q257-L261 WeakPolarHBondContact O-CD1 3.34Å; L261-V264 PolarHBondContact O-N 2.86Å; L261-E265 PolarHBondContact O-N 3.15Å |
| 262 | T | 45.6 | Very low | 51.5 | Low | 5 Ų | 5 | 91.2 Ų | 91.2 | 3% | 0.031 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -70.8 | -42.5 | -177.8 | 66 | 0 | 0 | 0 | 0 | 112.3 | T243 V244 Q260 Q266 | T243-T262 HydrophobicContact CG2-CG2 4.32Å; T243-T262 WeakPolarHBondContact O-CG2 2.71Å; V244-T262 HydrophobicContact CB-CG2 4.37Å; V244-T262 HydrophobicContact CG2-CG2 3.78Å; Q260-T262 PolarHBondContact O-N 3.32Å; T262-Q266 PolarHBondContact O-N 3.04Å |
| 263 | Q | 48.7 | Very low | 52.8 | Low | 113 Ų | 113 | 86.4 Ų | 86.4 | 53% | 0.528 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -72.6 | -43.1 | 172.1 | -68.5 | -165.3 | 14.7 | 0 | 0 | 110.9 | E265 Q266 L267 | Q263-E265 PolarHBondContact O-N 3.45Å; Q263-Q266 PolarHBondContact O-N 2.95Å; Q263-L267 VanDerWaalsContact O-CG 3.24Å; Q263-L267 WeakPolarHBondContact O-CG 3.41Å; Q263-L267 PolarHBondContact O-N 3.38Å |
| 264 | V | 51.1 | Low | 54 | Low | 56 Ų | 56 | 93 Ų | 93 | 34% | 0.339 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59 | -44.7 | -180 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | Q260 L261 L267 M268 | Q260-V264 HydrophobicContact CB-CG2 4.3Å; Q260-V264 WeakPolarHBondContact O-CB 3.42Å; Q260-V264 WeakPolarHBondContact O-CG2 3.44Å; Q260-V264 PolarHBondContact O-N 3.46Å; Q260-V264 VanDerWaalsContact O-N 3.17Å; L261-V264 PolarHBondContact O-N 2.86Å; V264-L267 CarbonylContact O-C 3.56Å; V264-L267 WeakPolarHBondContact O-CA 3.48Å; V264-L267 VanDerWaalsContact O-CB 3.31Å; V264-L267 WeakPolarHBondContact O-CB 3.4Å; V264-L267 PolarHBondContact O-N 2.95Å; V264-L267 VanDerWaalsContact O-N 3.15Å; V264-M268 HydrophobicContact CG1-CG 4.13Å; V264-M268 HydrophobicContact CG1-SD 3.87Å; V264-M268 VanDerWaalsContact O-CG 3.31Å; V264-M268 WeakPolarHBondContact O-CG 3.49Å; V264-M268 PolarHBondContact O-N 3.32Å |
| 265 | E | 50.9 | Low | 55.2 | Low | 19 Ų | 19 | 93.7 Ų | 93.7 | 9% | 0.089 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -73.2 | -32.8 | 177.7 | 178.6 | 75.7 | -177.2 | 0 | 0 | 112.4 | R196 F247 L261 Q263 L267 M268 Q269 | R196-E265 IonicContact CZ-OE1 3.61Å; R196-E265 IonicContact NH1-OE1 3.97Å; R196-E265 PolarHBondContact NH1-OE1 2.81Å; R196-E265 IonicContact NH2-OE1 3.82Å; R196-E265 PolarHBondContact NH2-OE1 3.22Å; F247-E265 HydrophobicContact CD1-CB 3.05Å; F247-E265 HydrophobicContact CD1-CG 3.1Å; F247-E265 HydrophobicContact CE1-CB 3.27Å; F247-E265 HydrophobicContact CE1-CG 3.07Å; F247-E265 HydrophobicContact CG-CB 4.18Å; F247-E265 HydrophobicContact CG-CG 4.43Å; F247-E265 HydrophobicContact CZ-CG 4.41Å; L261-E265 PolarHBondContact O-N 3.15Å; Q263-E265 PolarHBondContact O-N 3.45Å; E265-L267 PolarHBondContact O-N 3.24Å; E265-M268 CarbonylContact O-C 3.38Å; E265-M268 PolarHBondContact O-N 2.74Å; E265-M268 VanDerWaalsContact O-N 3.11Å; E265-Q269 HydrophobicContact CG-CG 3.94Å; E265-Q269 WeakPolarHBondContact O-CB 3.3Å; E265-Q269 VanDerWaalsContact O-CG 3.31Å; E265-Q269 WeakPolarHBondContact O-CG 3.15Å; E265-Q269 PolarHBondContact O-N 3.17Å; E265-Q269 WeakPolarHBondContact OE1-CG 3.45Å; E265-Q269 PolarHBondContact OE1-NE2 2.96Å |
| 266 | Q | 57.7 | Low | 56.6 | Low | 63 Ų | 63 | 92.9 Ų | 92.9 | 29% | 0.294 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.4 | -35.8 | 170.4 | -77.8 | -158.6 | -13.1 | 0 | 0 | 111.3 | T262 Q263 K270 | T262-Q266 PolarHBondContact O-N 3.04Å; Q263-Q266 PolarHBondContact O-N 2.95Å; Q266-K270 VanDerWaalsContact O-CB 3.31Å; Q266-K270 WeakPolarHBondContact O-CB 3.49Å; Q266-K270 WeakPolarHBondContact O-CD 3.32Å; Q266-K270 WeakPolarHBondContact O-CG 3.41Å; Q266-K270 PolarHBondContact O-N 2.9Å |
| 267 | L | 62.7 | Low | 58.5 | Low | 99 Ų | 99 | 83.2 Ų | 83.2 | 52% | 0.518 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.6 | -43.1 | 171.2 | -65.1 | 167.8 | 0 | 0 | 0 | 110.8 | Q263 V264 E265 Q269 K270 E271 | Q263-L267 VanDerWaalsContact O-CG 3.24Å; Q263-L267 WeakPolarHBondContact O-CG 3.41Å; Q263-L267 PolarHBondContact O-N 3.38Å; V264-L267 CarbonylContact O-C 3.56Å; V264-L267 WeakPolarHBondContact O-CA 3.48Å; V264-L267 VanDerWaalsContact O-CB 3.31Å; V264-L267 WeakPolarHBondContact O-CB 3.4Å; V264-L267 PolarHBondContact O-N 2.95Å; V264-L267 VanDerWaalsContact O-N 3.15Å; E265-L267 PolarHBondContact O-N 3.24Å; L267-Q269 PolarHBondContact O-N 3.42Å; L267-K270 CarbonylContact O-C 3.6Å; L267-K270 WeakPolarHBondContact O-CB 3.36Å; L267-K270 PolarHBondContact O-N 2.95Å; L267-E271 VanDerWaalsContact O-CB 3.25Å; L267-E271 WeakPolarHBondContact O-CB 3.28Å; L267-E271 PolarHBondContact O-N 2.68Å |
| 268 | M | 65.3 | Low | 60.4 | Low | 92 Ų | 92 | 83.2 Ų | 83.2 | 45% | 0.453 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67 | -33.9 | 176.3 | -67.4 | 175 | 62.5 | 0 | 0 | 112.3 | V264 E265 E271 E272 | V264-M268 HydrophobicContact CG1-CG 4.13Å; V264-M268 HydrophobicContact CG1-SD 3.87Å; V264-M268 VanDerWaalsContact O-CG 3.31Å; V264-M268 WeakPolarHBondContact O-CG 3.49Å; V264-M268 PolarHBondContact O-N 3.32Å; E265-M268 CarbonylContact O-C 3.38Å; E265-M268 PolarHBondContact O-N 2.74Å; E265-M268 VanDerWaalsContact O-N 3.11Å; M268-E271 CarbonylContact O-C 3.49Å; M268-E271 PolarHBondContact O-N 3.3Å; M268-E272 WeakPolarHBondContact O-CA 3.17Å; M268-E272 WeakPolarHBondContact O-CB 3.16Å; M268-E272 PolarHBondContact O-N 2.9Å |
| 269 | Q | 63.8 | Low | 62.5 | Low | 35 Ų | 35 | 86.7 Ų | 86.7 | 16% | 0.164 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -73.2 | -34.8 | 173.5 | -73.9 | -177.8 | 26.5 | 0 | 0 | 110.8 | E265 L267 E271 K273 | E265-Q269 HydrophobicContact CG-CG 3.94Å; E265-Q269 WeakPolarHBondContact O-CB 3.3Å; E265-Q269 VanDerWaalsContact O-CG 3.31Å; E265-Q269 WeakPolarHBondContact O-CG 3.15Å; E265-Q269 PolarHBondContact O-N 3.17Å; E265-Q269 WeakPolarHBondContact OE1-CG 3.45Å; E265-Q269 PolarHBondContact OE1-NE2 2.96Å; L267-Q269 PolarHBondContact O-N 3.42Å; Q269-E271 VanDerWaalsContact C-N 3.28Å; Q269-K273 WeakPolarHBondContact O-CB 3.21Å; Q269-K273 WeakPolarHBondContact O-CD 3.39Å; Q269-K273 WeakPolarHBondContact O-CG 3.44Å; Q269-K273 PolarHBondContact O-N 2.72Å |
| 270 | K | 68.9 | Low | 64.7 | Low | 127 Ų | 127 | 84.2 Ų | 84.2 | 55% | 0.552 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -67.5 | -36.1 | 170.5 | -75.6 | 166.5 | -173 | 170.6 | 0 | 110.2 | Q266 L267 R274 | Q266-K270 VanDerWaalsContact O-CB 3.31Å; Q266-K270 WeakPolarHBondContact O-CB 3.49Å; Q266-K270 WeakPolarHBondContact O-CD 3.32Å; Q266-K270 WeakPolarHBondContact O-CG 3.41Å; Q266-K270 PolarHBondContact O-N 2.9Å; L267-K270 CarbonylContact O-C 3.6Å; L267-K270 WeakPolarHBondContact O-CB 3.36Å; L267-K270 PolarHBondContact O-N 2.95Å; K270-R274 VanDerWaalsContact O-CB 3.25Å; K270-R274 WeakPolarHBondContact O-CB 3.43Å; K270-R274 PolarHBondContact O-N 3.39Å |
| 271 | E | 68.4 | Low | 67 | Low | 82 Ų | 82 | 77.6 Ų | 77.6 | 38% | 0.383 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -75.5 | -45.7 | -180 | -165.4 | 59.4 | -154.5 | 0 | 0 | 111.2 | L267 M268 Q269 K273 R274 L275 | L267-E271 VanDerWaalsContact O-CB 3.25Å; L267-E271 WeakPolarHBondContact O-CB 3.28Å; L267-E271 PolarHBondContact O-N 2.68Å; M268-E271 CarbonylContact O-C 3.49Å; M268-E271 PolarHBondContact O-N 3.3Å; Q269-E271 VanDerWaalsContact C-N 3.28Å; E271-K273 VanDerWaalsContact C-N 3.32Å; E271-K273 PolarHBondContact O-N 3.29Å; E271-R274 CarbonylContact O-C 3.42Å; E271-R274 VanDerWaalsContact O-CA 3.32Å; E271-R274 WeakPolarHBondContact O-CA 3.29Å; E271-R274 VanDerWaalsContact O-CB 3.27Å; E271-R274 WeakPolarHBondContact O-CB 3.32Å; E271-R274 PolarHBondContact O-N 2.84Å; E271-R274 IonicContact OE2-NH1 2.86Å; E271-L275 HydrophobicContact CG-CD1 4.27Å; E271-L275 HydrophobicContact CG-CG 4.44Å; E271-L275 WeakPolarHBondContact O-CB 3.28Å; E271-L275 VanDerWaalsContact O-CG 3.28Å; E271-L275 WeakPolarHBondContact O-CG 3.37Å; E271-L275 PolarHBondContact O-N 2.86Å |
| 272 | E | 70.4 | Confident | 69.2 | Low | 85 Ų | 85 | 75.4 Ų | 75.4 | 40% | 0.397 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -56.9 | -46.3 | 170 | -175.8 | -174.3 | -156.4 | 0 | 0 | 109.9 | R196 M268 R274 L275 H276 | R196-E272 IonicContact NH2-OE2 2.7Å; M268-E272 WeakPolarHBondContact O-CA 3.17Å; M268-E272 WeakPolarHBondContact O-CB 3.16Å; M268-E272 PolarHBondContact O-N 2.9Å; E272-R274 PolarHBondContact O-N 3.44Å; E272-L275 PolarHBondContact O-N 3Å; E272-H276 VanDerWaalsContact O-CB 3.31Å; E272-H276 WeakPolarHBondContact O-CB 3.39Å; E272-H276 PolarHBondContact O-CD2 2.64Å; E272-H276 PolarHBondContact O-N 3.28Å |
| 273 | K | 69.4 | Low | 71.4 | Confident | 118 Ų | 118 | 78.9 Ų | 78.9 | 51% | 0.513 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.2 | -26.5 | 172.3 | -77.3 | 172.9 | -177.6 | -177.7 | 0 | 113.4 | Q269 E271 S277 | Q269-K273 WeakPolarHBondContact O-CB 3.21Å; Q269-K273 WeakPolarHBondContact O-CD 3.39Å; Q269-K273 WeakPolarHBondContact O-CG 3.44Å; Q269-K273 PolarHBondContact O-N 2.72Å; E271-K273 VanDerWaalsContact C-N 3.32Å; E271-K273 PolarHBondContact O-N 3.29Å; K273-S277 WeakPolarHBondContact O-CB 3.39Å; K273-S277 PolarHBondContact O-N 3.46Å |
| 274 | R | 69.7 | Low | 73.4 | Confident | 169 Ų | 169 | 77.2 Ų | 77.2 | 64% | 0.638 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -83.1 | -39 | 177.4 | -173.8 | -174.3 | -178.7 | -175.6 | -1.8 | 111.2 | K270 E271 E272 H276 S277 | K270-R274 VanDerWaalsContact O-CB 3.25Å; K270-R274 WeakPolarHBondContact O-CB 3.43Å; K270-R274 PolarHBondContact O-N 3.39Å; E271-R274 CarbonylContact O-C 3.42Å; E271-R274 VanDerWaalsContact O-CA 3.32Å; E271-R274 WeakPolarHBondContact O-CA 3.29Å; E271-R274 VanDerWaalsContact O-CB 3.27Å; E271-R274 WeakPolarHBondContact O-CB 3.32Å; E271-R274 PolarHBondContact O-N 2.84Å; E271-R274 IonicContact OE2-NH1 2.86Å; E272-R274 PolarHBondContact O-N 3.44Å; R274-H276 VanDerWaalsContact C-N 3.34Å; R274-S277 WeakPolarHBondContact O-CB 3.28Å; R274-S277 PolarHBondContact O-N 3.29Å; R274-S277 VanDerWaalsContact O-N 3.12Å; R274-S277 PolarHBondContact O-OG 3.31Å |
| 275 | L | 71.2 | Confident | 75.4 | Confident | 128 Ų | 128 | 78.8 Ų | 78.8 | 67% | 0.67 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -66.9 | -37.6 | 175.2 | -71.6 | 168.9 | 0 | 0 | 0 | 111 | E271 E272 S277 | E271-L275 HydrophobicContact CG-CD1 4.27Å; E271-L275 HydrophobicContact CG-CG 4.44Å; E271-L275 WeakPolarHBondContact O-CB 3.28Å; E271-L275 VanDerWaalsContact O-CG 3.28Å; E271-L275 WeakPolarHBondContact O-CG 3.37Å; E271-L275 PolarHBondContact O-N 2.86Å; E272-L275 PolarHBondContact O-N 3Å; L275-S277 PolarHBondContact O-N 2.8Å |
| 276 | H | 73.6 | Confident | 77.4 | Confident | 138 Ų | 138 | 78 Ų | 78 | 64% | 0.639 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -0.8 | 174.4 | -69.7 | -132.6 | 0 | 0 | 0 | 112.4 | E272 R274 | E272-H276 VanDerWaalsContact O-CB 3.31Å; E272-H276 WeakPolarHBondContact O-CB 3.39Å; E272-H276 PolarHBondContact O-CD2 2.64Å; E272-H276 PolarHBondContact O-N 3.28Å; R274-H276 VanDerWaalsContact C-N 3.34Å |
| 277 | S | 77.5 | Confident | 78.9 | Confident | 26 Ų | 26 | 80.4 Ų | 80.4 | 18% | 0.182 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -85.6 | 128.3 | 175.2 | 72.9 | 0 | 0 | 0 | 0 | 110.3 | K273 R274 L275 T321 V322 | K273-S277 WeakPolarHBondContact O-CB 3.39Å; K273-S277 PolarHBondContact O-N 3.46Å; R274-S277 WeakPolarHBondContact O-CB 3.28Å; R274-S277 PolarHBondContact O-N 3.29Å; R274-S277 VanDerWaalsContact O-N 3.12Å; R274-S277 PolarHBondContact O-OG 3.31Å; L275-S277 PolarHBondContact O-N 2.8Å; S277-T321 WeakPolarHBondContact OG-CG2 3.3Å; S277-V322 CarbonylContact C-O 3.51Å; S277-V322 WeakPolarHBondContact CA-O 3.48Å; S277-V322 WeakPolarHBondContact CB-O 3.44Å |
| 278 | E | 82.8 | Confident | 80.2 | Confident | 109 Ų | 109 | 76.5 Ų | 76.5 | 51% | 0.509 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 137.2 | -177.2 | -66 | 178.6 | 161.6 | 0 | 0 | 109.8 | V322 L354 | E278-V322 PolarHBondContact N-O 3.22Å; E278-V322 PolarHBondContact O-N 3.32Å; E278-L354 HydrophobicContact CB-CD2 3.69Å; E278-L354 HydrophobicContact CG-CD2 4.16Å; E278-L354 WeakPolarHBondContact OE2-CD2 3.48Å |
| 279 | E | 85.4 | Confident | 81.3 | Confident | 96 Ų | 96 | 74.1 Ų | 74.1 | 45% | 0.449 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 118.9 | 173.7 | -65.4 | -161.7 | 155.4 | 0 | 0 | 110.7 | Q335 S355 | E279-Q335 PolarHBondContact OE1-NE2 3.07Å; E279-S355 VanDerWaalsContact C-OG 3.31Å; E279-S355 WeakPolarHBondContact O-CB 3.45Å; E279-S355 PolarHBondContact O-N 3.07Å; E279-S355 VanDerWaalsContact O-N 3.09Å; E279-S355 PolarHBondContact O-OG 3.24Å |
| 280 | C | 88.6 | Confident | 82.4 | Confident | 6 Ų | 6 | 78.6 Ų | 78.6 | 4% | 0.041 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 144.2 | 179.3 | -55.2 | 0 | 0 | 0 | 0 | 111.5 | V320 V322 V352 M353 | C280-V320 PolarHBondContact N-O 2.96Å; C280-V320 PolarHBondContact O-N 2.73Å; C280-V322 HydrophobicContact CB-CG2 4.24Å; C280-V352 HydrophobicContact CB-CB 3.79Å; C280-V352 HydrophobicContact CB-CG1 4.45Å; C280-V352 HydrophobicContact CB-CG2 4.1Å; C280-M353 CarbonylContact C-O 3.33Å; C280-M353 WeakPolarHBondContact CA-O 3.47Å; C280-M353 VanDerWaalsContact CB-O 3.29Å; C280-M353 WeakPolarHBondContact CB-O 3.42Å |
| 281 | S | 89.9 | Confident | 83.2 | Confident | 13 Ų | 13 | 78.4 Ų | 78.4 | 9% | 0.091 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 139.6 | 168.6 | 55.8 | 0 | 0 | 0 | 0 | 110.9 | I283 V352 M353 S355 I358 | S281-I283 PolarHBondContact O-N 3.35Å; S281-V352 VanDerWaalsContact O-CA 3.32Å; S281-V352 WeakPolarHBondContact O-CA 3.4Å; S281-M353 PolarHBondContact N-O 3.14Å; S281-M353 PolarHBondContact O-N 2.72Å; S281-M353 PolarHBondContact OG-O 2.99Å; S281-S355 PolarHBondContact N-OG 3.41Å; S281-I358 VanDerWaalsContact OG-CD1 3.24Å; S281-I358 WeakPolarHBondContact OG-CD1 3.25Å; S281-I358 WeakPolarHBondContact OG-CG1 3.13Å |
| 282 | V | 90.9 | Very high | 84 | Confident | 4 Ų | 4 | 74.5 Ų | 74.5 | 2% | 0.024 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 120.5 | 173.7 | -179.4 | 0 | 0 | 0 | 0 | 110 | Q284 L314 K315 G317 E318 V320 C351 V352 | V282-Q284 VanDerWaalsContact CG1-O 3.28Å; V282-Q284 WeakPolarHBondContact CG1-O 3.26Å; V282-L314 HydrophobicContact CG1-CB 3.79Å; V282-L314 HydrophobicContact CG1-CD1 4.47Å; V282-L314 HydrophobicContact CG2-CB 4.1Å; V282-L314 HydrophobicContact CG2-CD1 4.23Å; V282-L314 HydrophobicContact CG2-CD2 4.07Å; V282-L314 HydrophobicContact CG2-CG 4.37Å; V282-K315 VanDerWaalsContact CB-O 3.32Å; V282-K315 WeakPolarHBondContact CB-O 3.42Å; V282-K315 VanDerWaalsContact CG1-O 3.29Å; V282-K315 WeakPolarHBondContact CG1-O 3.4Å; V282-G317 PolarHBondContact O-N 3Å; V282-G317 VanDerWaalsContact O-N 3.17Å; V282-E318 HydrophobicContact CB-CB 4.49Å; V282-E318 HydrophobicContact CG2-CB 4.02Å; V282-E318 WeakPolarHBondContact CG2-O 3.24Å; V282-E318 PolarHBondContact N-O 3.49Å; V282-V320 HydrophobicContact CG2-CG2 3.73Å; V282-C351 WeakPolarHBondContact CA-O 3.48Å; V282-V352 HydrophobicContact CG2-CG1 4.27Å |
| 283 | I | 91.9 | Very high | 84.8 | Confident | 78 Ų | 78 | 72.6 Ų | 72.6 | 40% | 0.4 | 36% | 0.357 | S | S | . | . | trans | -104.6 | -17 | 178.6 | 61.5 | 167.2 | 0 | 0 | 0 | 113 | S281 C351 M353 | S281-I283 PolarHBondContact O-N 3.35Å; I283-C351 PolarHBondContact N-O 3.36Å; I283-M353 HydrophobicContact CD1-CB 4.33Å; I283-M353 HydrophobicContact CD1-CE 3.96Å; I283-M353 HydrophobicContact CG2-CB 3.82Å; I283-M353 HydrophobicContact CG2-CE 4.48Å | ||
| 284 | Q | 91.9 | Very high | 85.8 | Confident | 79 Ų | 79 | 73.4 Ų | 73.4 | 37% | 0.369 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -139.1 | 134.7 | 179.7 | -163.5 | 179.7 | 9.9 | 0 | 0 | 110.1 | V282 Y295 C351 | V282-Q284 VanDerWaalsContact CG1-O 3.28Å; V282-Q284 WeakPolarHBondContact CG1-O 3.26Å; Q284-Y295 HydrophobicContact CG-CE1 4.31Å; Q284-C351 PolarHBondContact N-O 2.58Å |
| 285 | N | 92.7 | Very high | 86.6 | Confident | 88 Ų | 88 | 65.9 Ų | 65.9 | 47% | 0.471 | 34% | 0.335 | S | S | . | . | trans | -62.6 | 145.8 | 176.3 | -66.5 | -41.3 | 0 | 0 | 0 | 110.7 | Y295 L314 K315 I316 | N285-Y295 PolarHBondContact O-OH 3.46Å; N285-L314 CarbonylContact C-O 3.55Å; N285-L314 WeakPolarHBondContact CA-O 3.32Å; N285-K315 VanDerWaalsContact OD1-CA 3.28Å; N285-K315 WeakPolarHBondContact OD1-CA 3.44Å; N285-I316 WeakPolarHBondContact OD1-CG1 3.25Å; N285-I316 PolarHBondContact OD1-N 2.86Å | ||
| 286 | Y | 92.7 | Very high | 87.5 | Confident | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.016 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -139 | 126.2 | 169.9 | 175.2 | -132.3 | 0 | 0 | 0 | 109.9 | G288 S289 C292 Y295 R311 L312 P313 L314 F347 P348 | Y286-G288 VanDerWaalsContact C-N 3.29Å; Y286-G288 PolarHBondContact O-N 2.98Å; Y286-S289 WeakPolarHBondContact CE2-O 3.16Å; Y286-S289 PolarHBondContact OH-O 3.5Å; Y286-C292 HydrophobicContact CE2-CB 4.39Å; Y286-Y295 VanDerWaalsContact CA-OH 3.24Å; Y286-Y295 WeakPolarHBondContact CA-OH 3.24Å; Y286-Y295 AromaticContact CD2-CE2 3.59Å; Y286-Y295 HydrophobicContact CD2-CE2 3.59Å; Y286-Y295 AromaticContact CD2-CZ 3.83Å; Y286-Y295 HydrophobicContact CE2-CE2 4.1Å; Y286-R311 HydrophobicContact CE1-CB 4.29Å; Y286-R311 WeakPolarHBondContact OH-CD 3.36Å; Y286-L312 WeakPolarHBondContact CD1-O 3.4Å; Y286-P313 CarbonylContact O-C 3.58Å; Y286-P313 WeakPolarHBondContact O-CA 3.36Å; Y286-L314 PolarHBondContact N-O 2.85Å; Y286-L314 PolarHBondContact O-N 3.39Å; Y286-F347 HydrophobicContact CD1-CB 3.83Å; Y286-F347 HydrophobicContact CE1-CB 4.06Å; Y286-P348 HydrophobicContact CD2-CG 4.5Å; Y286-P348 HydrophobicContact CE2-CG 4.49Å |
| 287 | N | 90.3 | Very high | 88.3 | Confident | 113 Ų | 113 | 63 Ų | 63 | 60% | 0.604 | 32% | 0.319 | S | S | * | . | trans | -83.2 | -1.9 | -176.1 | 63.3 | -1.3 | 0 | 0 | 0 | 113.8 | S289 | N287-S289 VanDerWaalsContact C-N 3.33Å; N287-S289 WeakPolarHBondContact OD1-CB 3.27Å; N287-S289 PolarHBondContact OD1-N 2.88Å | ||
| 288 | G | 89.1 | Confident | 88.9 | Confident | 17 Ų | 17 | 71.1 Ų | 71.1 | 18% | 0.175 | 35% | 0.345 | C | S | . | . | trans | 82.1 | 7.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y286 R311 | Y286-G288 VanDerWaalsContact C-N 3.29Å; Y286-G288 PolarHBondContact O-N 2.98Å; G288-R311 WeakPolarHBondContact O-CB 3.35Å | ||
| 289 | S | 88.4 | Confident | 89.2 | Confident | 41 Ų | 41 | 66.3 Ų | 66.3 | 29% | 0.287 | 32% | 0.324 | S | S | . | . | trans | -69.3 | 139.9 | 178.5 | -178.8 | 0 | 0 | 0 | 0 | 112.2 | Y286 N287 L291 | Y286-S289 WeakPolarHBondContact CE2-O 3.16Å; Y286-S289 PolarHBondContact OH-O 3.5Å; N287-S289 VanDerWaalsContact C-N 3.33Å; N287-S289 WeakPolarHBondContact OD1-CB 3.27Å; N287-S289 PolarHBondContact OD1-N 2.88Å; S289-L291 VanDerWaalsContact C-N 3.3Å; S289-L291 PolarHBondContact OG-N 2.91Å; S289-L291 PolarHBondContact OG-O 3.46Å | ||
| 290 | Y | 85.9 | Confident | 89.4 | Confident | 129 Ų | 129 | 64.4 Ų | 64.4 | 51% | 0.506 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -69 | -31.3 | 166.7 | -70.4 | -87.5 | 0 | 0 | 0 | 111.7 | C292 Q303 R311 | Y290-C292 PolarHBondContact O-N 2.75Å; Y290-C292 PolarHBondContact O-SG 3.29Å; Y290-Q303 PolarHBondContact O-NE2 3.38Å; Y290-Q303 PolarHBondContact O-OE1 3.03Å; Y290-Q303 VanDerWaalsContact O-OE1 3.11Å; Y290-R311 HydrophobicContact CD1-CG 4.23Å; Y290-R311 HydrophobicContact CE1-CG 3.96Å; Y290-R311 HydrophobicContact CE2-CG 4.27Å; Y290-R311 HydrophobicContact CG-CG 4.5Å |
| 291 | L | 87.7 | Confident | 89.4 | Confident | 123 Ų | 123 | 70.8 Ų | 70.8 | 64% | 0.644 | 35% | 0.347 | S | S | * | . | trans | -80.8 | 88.2 | 173.1 | -168.2 | 71.7 | 0 | 0 | 0 | 108.9 | S289 V293 F300 | S289-L291 VanDerWaalsContact C-N 3.3Å; S289-L291 PolarHBondContact OG-N 2.91Å; S289-L291 PolarHBondContact OG-O 3.46Å; L291-V293 HydrophobicContact CD1-CG2 4.04Å; L291-V293 HydrophobicContact CG-CG2 4.48Å; L291-F300 HydrophobicContact CD1-CE2 3.94Å; L291-F300 HydrophobicContact CD1-CZ 4.27Å | ||
| 292 | C | 85.1 | Confident | 89.3 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 36% | 0.355 | C | S | . | . | trans | -117.1 | 30.6 | -169.7 | 61.3 | 0 | 0 | 0 | 0 | 112.2 | Y286 Y290 Q294 Y295 W329 | Y286-C292 HydrophobicContact CE2-CB 4.39Å; Y290-C292 PolarHBondContact O-N 2.75Å; Y290-C292 PolarHBondContact O-SG 3.29Å; C292-Q294 PolarHBondContact O-N 3.17Å; C292-Q294 VanDerWaalsContact O-N 3.12Å; C292-Y295 HydrophobicContact CB-CD2 3.81Å; C292-Y295 HydrophobicContact CB-CE2 4.28Å; C292-Y295 WeakPolarHBondContact O-CB 3.41Å; C292-Y295 WeakPolarHBondContact O-CD2 3.4Å; C292-Y295 PolarHBondContact O-N 2.97Å; C292-W329 VanDerWaalsContact SG-CZ2 3.56Å | ||
| 293 | V | 86.8 | Confident | 89.1 | Confident | 46 Ų | 46 | 72.8 Ų | 72.8 | 28% | 0.279 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -58.3 | -27.9 | -176.5 | -174.3 | 0 | 0 | 0 | 0 | 112.4 | L291 Y295 G296 W297 F300 | L291-V293 HydrophobicContact CD1-CG2 4.04Å; L291-V293 HydrophobicContact CG-CG2 4.48Å; V293-Y295 PolarHBondContact O-N 3.41Å; V293-Y295 VanDerWaalsContact O-N 3.09Å; V293-G296 WeakPolarHBondContact O-CA 3.38Å; V293-G296 PolarHBondContact O-N 2.85Å; V293-W297 HydrophobicContact CG1-CD2 4.01Å; V293-W297 HydrophobicContact CG1-CE3 4.17Å; V293-W297 HydrophobicContact CG1-CH2 3.95Å; V293-W297 HydrophobicContact CG1-CZ2 3.77Å; V293-W297 HydrophobicContact CG1-CZ3 4.14Å; V293-W297 HydrophobicContact CG2-CZ3 4.41Å; V293-F300 HydrophobicContact CG2-CB 4.45Å; V293-F300 HydrophobicContact CG2-CD1 4.31Å; V293-F300 HydrophobicContact CG2-CD2 4.01Å; V293-F300 HydrophobicContact CG2-CE2 4.36Å; V293-F300 HydrophobicContact CG2-CG 3.99Å |
| 294 | Q | 88.9 | Confident | 88.7 | Confident | 135 Ų | 135 | 70 Ų | 70 | 63% | 0.631 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -58.2 | -20.9 | 174.3 | 69.6 | -175.7 | -4.3 | 0 | 0 | 114.2 | C292 G296 | C292-Q294 PolarHBondContact O-N 3.17Å; C292-Q294 VanDerWaalsContact O-N 3.12Å; Q294-G296 VanDerWaalsContact C-N 3.33Å |
| 295 | Y | 88.2 | Confident | 87.8 | Confident | 11 Ų | 11 | 72 Ų | 72 | 4% | 0.043 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -91.1 | 2.6 | 175.7 | -61.3 | -74.4 | 0 | 0 | 0 | 112.6 | Q284 N285 Y286 C292 V293 V299 P348 Q350 C351 | Q284-Y295 HydrophobicContact CG-CE1 4.31Å; N285-Y295 PolarHBondContact O-OH 3.46Å; Y286-Y295 VanDerWaalsContact CA-OH 3.24Å; Y286-Y295 WeakPolarHBondContact CA-OH 3.24Å; Y286-Y295 AromaticContact CD2-CE2 3.59Å; Y286-Y295 HydrophobicContact CD2-CE2 3.59Å; Y286-Y295 AromaticContact CD2-CZ 3.83Å; Y286-Y295 HydrophobicContact CE2-CE2 4.1Å; C292-Y295 HydrophobicContact CB-CD2 3.81Å; C292-Y295 HydrophobicContact CB-CE2 4.28Å; C292-Y295 WeakPolarHBondContact O-CB 3.41Å; C292-Y295 WeakPolarHBondContact O-CD2 3.4Å; C292-Y295 PolarHBondContact O-N 2.97Å; V293-Y295 PolarHBondContact O-N 3.41Å; V293-Y295 VanDerWaalsContact O-N 3.09Å; Y295-V299 WeakPolarHBondContact O-CG2 3.42Å; Y295-P348 HydrophobicContact CD1-CB 4.42Å; Y295-P348 HydrophobicContact CD1-CG 4.41Å; Y295-P348 HydrophobicContact CD2-CG 3.97Å; Y295-P348 HydrophobicContact CE2-CG 4.31Å; Y295-P348 HydrophobicContact CG-CB 4.26Å; Y295-P348 HydrophobicContact CG-CG 4.01Å; Y295-Q350 VanDerWaalsContact C-NE2 3.34Å; Y295-Q350 HydrophobicContact CD1-CG 4.19Å; Y295-Q350 VanDerWaalsContact CD1-NE2 3.33Å; Y295-Q350 PolarHBondContact O-NE2 3.04Å; Y295-C351 VanDerWaalsContact CE1-SG 3.54Å |
| 296 | G | 89.6 | Confident | 86.5 | Confident | 30 Ų | 30 | 76.2 Ų | 76.2 | 31% | 0.309 | 38% | 0.379 | S | S | . | . | trans | 104 | 145.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V293 Q294 R298 V299 F300 | V293-G296 WeakPolarHBondContact O-CA 3.38Å; V293-G296 PolarHBondContact O-N 2.85Å; Q294-G296 VanDerWaalsContact C-N 3.33Å; G296-R298 VanDerWaalsContact C-N 3.26Å; G296-R298 PolarHBondContact O-N 2.9Å; G296-V299 WeakPolarHBondContact O-CB 3.13Å; G296-V299 PolarHBondContact O-N 3.29Å; G296-F300 PolarHBondContact O-N 2.86Å; G296-F300 VanDerWaalsContact O-N 3.1Å | ||
| 297 | W | 90.1 | Very high | 85.3 | Confident | 175 Ų | 175 | 78.3 Ų | 78.3 | 66% | 0.663 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -56.5 | -36.8 | -178.8 | -69.8 | 104.9 | 0 | 0 | 0 | 113.6 | V293 V299 F300 L301 | V293-W297 HydrophobicContact CG1-CD2 4.01Å; V293-W297 HydrophobicContact CG1-CE3 4.17Å; V293-W297 HydrophobicContact CG1-CH2 3.95Å; V293-W297 HydrophobicContact CG1-CZ2 3.77Å; V293-W297 HydrophobicContact CG1-CZ3 4.14Å; V293-W297 HydrophobicContact CG2-CZ3 4.41Å; W297-V299 VanDerWaalsContact C-N 3.33Å; W297-V299 PolarHBondContact O-N 3.4Å; W297-F300 HydrophobicContact CE3-CD1 4.21Å; W297-F300 HydrophobicContact CZ3-CD1 4.35Å; W297-F300 PolarHBondContact O-N 3.07Å; W297-L301 WeakPolarHBondContact O-CB 3.23Å; W297-L301 VanDerWaalsContact O-CG 3.32Å; W297-L301 WeakPolarHBondContact O-CG 3.48Å; W297-L301 PolarHBondContact O-N 3.11Å |
| 298 | R | 90.8 | Very high | 84.1 | Confident | 196 Ų | 196 | 78.5 Ų | 78.5 | 74% | 0.74 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64.7 | -36.3 | 177 | -66.7 | -176.5 | -179.8 | -175.7 | 0.4 | 112.3 | G296 S302 | G296-R298 VanDerWaalsContact C-N 3.26Å; G296-R298 PolarHBondContact O-N 2.9Å; R298-S302 VanDerWaalsContact O-CB 3.3Å; R298-S302 WeakPolarHBondContact O-CB 3.27Å; R298-S302 PolarHBondContact O-N 3.5Å; R298-S302 PolarHBondContact O-OG 3.42Å |
| 299 | V | 88.8 | Confident | 83.7 | Confident | 9 Ų | 9 | 79.6 Ų | 79.6 | 6% | 0.055 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.7 | -47.9 | 175.2 | -180 | 0 | 0 | 0 | 0 | 109.5 | Y295 G296 W297 L301 S302 H328 W329 P348 | Y295-V299 WeakPolarHBondContact O-CG2 3.42Å; G296-V299 WeakPolarHBondContact O-CB 3.13Å; G296-V299 PolarHBondContact O-N 3.29Å; W297-V299 VanDerWaalsContact C-N 3.33Å; W297-V299 PolarHBondContact O-N 3.4Å; V299-L301 PolarHBondContact O-N 2.96Å; V299-S302 PolarHBondContact O-N 2.95Å; V299-S302 PolarHBondContact O-OG 2.58Å; V299-H328 HydrophobicContact CG2-CB 4.19Å; V299-W329 HydrophobicContact CG1-CZ2 3.83Å; V299-W329 PolarHBondContact O-NE1 3.44Å; V299-P348 HydrophobicContact CG1-CB 3.93Å; V299-P348 HydrophobicContact CG1-CG 4.15Å |
| 300 | F | 89.5 | Confident | 83.6 | Confident | 56 Ų | 56 | 81.6 Ų | 81.6 | 25% | 0.246 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.7 | -45.2 | 179.2 | 176.3 | -108.7 | 0 | 0 | 0 | 113.1 | L291 V293 G296 W297 S302 Q303 | L291-F300 HydrophobicContact CD1-CE2 3.94Å; L291-F300 HydrophobicContact CD1-CZ 4.27Å; V293-F300 HydrophobicContact CG2-CB 4.45Å; V293-F300 HydrophobicContact CG2-CD1 4.31Å; V293-F300 HydrophobicContact CG2-CD2 4.01Å; V293-F300 HydrophobicContact CG2-CE2 4.36Å; V293-F300 HydrophobicContact CG2-CG 3.99Å; G296-F300 PolarHBondContact O-N 2.86Å; G296-F300 VanDerWaalsContact O-N 3.1Å; W297-F300 HydrophobicContact CE3-CD1 4.21Å; W297-F300 HydrophobicContact CZ3-CD1 4.35Å; W297-F300 PolarHBondContact O-N 3.07Å; F300-S302 PolarHBondContact O-N 3.05Å; F300-Q303 VanDerWaalsContact O-CG 3.27Å; F300-Q303 WeakPolarHBondContact O-CG 3.29Å; F300-Q303 PolarHBondContact O-NE2 3.07Å |
| 301 | L | 88.4 | Confident | 83.8 | Confident | 139 Ų | 139 | 76.2 Ų | 76.2 | 73% | 0.728 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -75.7 | -19.4 | -178.9 | -68.1 | 174.7 | 0 | 0 | 0 | 114.2 | W297 V299 | W297-L301 WeakPolarHBondContact O-CB 3.23Å; W297-L301 VanDerWaalsContact O-CG 3.32Å; W297-L301 WeakPolarHBondContact O-CG 3.48Å; W297-L301 PolarHBondContact O-N 3.11Å; V299-L301 PolarHBondContact O-N 2.96Å |
| 302 | S | 88.2 | Confident | 83.9 | Confident | 37 Ų | 37 | 70.5 Ų | 70.5 | 26% | 0.259 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 20.9 | -179.6 | 61.6 | 0 | 0 | 0 | 0 | 113.3 | R298 V299 F300 H328 W329 | R298-S302 VanDerWaalsContact O-CB 3.3Å; R298-S302 WeakPolarHBondContact O-CB 3.27Å; R298-S302 PolarHBondContact O-N 3.5Å; R298-S302 PolarHBondContact O-OG 3.42Å; V299-S302 PolarHBondContact O-N 2.95Å; V299-S302 PolarHBondContact O-OG 2.58Å; F300-S302 PolarHBondContact O-N 3.05Å; S302-H328 WeakPolarHBondContact CB-ND1 3.37Å; S302-H328 WeakPolarHBondContact OG-CB 3.43Å; S302-H328 PolarHBondContact OG-ND1 3.05Å; S302-W329 VanDerWaalsContact O-CD1 3.24Å |
| 303 | Q | 86.5 | Confident | 84.2 | Confident | 22 Ų | 22 | 73.5 Ų | 73.5 | 10% | 0.103 | 37% | 0.365 | C | S | . | . | trans | -58.5 | 132.4 | 178.3 | -84.5 | -175.9 | 85 | 0 | 0 | 111.8 | Y290 F300 I305 W329 | Y290-Q303 PolarHBondContact O-NE2 3.38Å; Y290-Q303 PolarHBondContact O-OE1 3.03Å; Y290-Q303 VanDerWaalsContact O-OE1 3.11Å; F300-Q303 VanDerWaalsContact O-CG 3.27Å; F300-Q303 WeakPolarHBondContact O-CG 3.29Å; F300-Q303 PolarHBondContact O-NE2 3.07Å; Q303-I305 HydrophobicContact CB-CD1 4.02Å; Q303-I305 HydrophobicContact CB-CG1 3.63Å; Q303-I305 PolarHBondContact O-N 3.06Å; Q303-W329 HydrophobicContact CB-CZ2 4.39Å; Q303-W329 HydrophobicContact CG-CH2 3.94Å; Q303-W329 HydrophobicContact CG-CZ2 3.21Å | ||
| 304 | P | 82.3 | Confident | 84.5 | Confident | 19 Ų | 19 | 71.5 Ų | 71.5 | 12% | 0.123 | 35% | 0.352 | C | S | . | . | trans | -75.8 | 83.4 | 169.6 | 32.5 | -33 | 0 | 0 | 0 | 107.7 | T307 R311 W329 W346 | P304-T307 WeakPolarHBondContact CB-OG1 3.48Å; P304-T307 PolarHBondContact O-OG1 3.46Å; P304-R311 PolarHBondContact O-NH1 3.18Å; P304-R311 PolarHBondContact O-NH2 2.97Å; P304-W329 VanDerWaalsContact CD-CG 3.48Å; P304-W329 HydrophobicContact CG-CB 4.14Å; P304-W329 HydrophobicContact CG-CD2 4.34Å; P304-W329 HydrophobicContact CG-CG 4.16Å; P304-W346 HydrophobicContact CB-CD2 4.14Å; P304-W346 HydrophobicContact CB-CE3 4.44Å; P304-W346 HydrophobicContact CB-CH2 4.48Å; P304-W346 HydrophobicContact CB-CZ2 4.21Å; P304-W346 HydrophobicContact CG-CB 4.16Å; P304-W346 HydrophobicContact CG-CD2 3.4Å; P304-W346 VanDerWaalsContact CG-CD2 3.4Å; P304-W346 HydrophobicContact CG-CE3 3.64Å; P304-W346 HydrophobicContact CG-CG 3.65Å; P304-W346 HydrophobicContact CG-CZ2 4.35Å; P304-W346 HydrophobicContact CG-CZ3 4.18Å | ||
| 305 | I | 74.3 | Confident | 84.6 | Confident | 122 Ų | 122 | 72 Ų | 72 | 63% | 0.626 | 35% | 0.352 | S | S | * | . | trans | -86.4 | -32.7 | -179 | -58.8 | 171.1 | 0 | 0 | 0 | 110.4 | Q303 T307 | Q303-I305 HydrophobicContact CB-CD1 4.02Å; Q303-I305 HydrophobicContact CB-CG1 3.63Å; Q303-I305 PolarHBondContact O-N 3.06Å; I305-T307 VanDerWaalsContact C-N 3.26Å; I305-T307 PolarHBondContact O-N 3.48Å | ||
| 306 | L | 65.4 | Low | 84.7 | Confident | 176 Ų | 176 | 76.4 Ų | 76.4 | 92% | 0.921 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -71.6 | -21.7 | -179.6 | -65.7 | 173.1 | 0 | 0 | 0 | 113 | Q308 | L306-Q308 PolarHBondContact O-N 3.49Š|
| 307 | T | 67.8 | Low | 84.5 | Confident | 48 Ų | 48 | 78.2 Ų | 78.2 | 29% | 0.294 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -78.3 | 118.6 | 170.1 | 53.1 | 0 | 0 | 0 | 0 | 107.6 | P304 I305 D309 W346 | P304-T307 WeakPolarHBondContact CB-OG1 3.48Å; P304-T307 PolarHBondContact O-OG1 3.46Å; I305-T307 VanDerWaalsContact C-N 3.26Å; I305-T307 PolarHBondContact O-N 3.48Å; T307-D309 PolarHBondContact O-N 2.81Å; T307-W346 HydrophobicContact CG2-CZ2 4.32Å; T307-W346 PolarHBondContact OG1-NE1 2.93Å |
| 308 | Q | 64.8 | Low | 84.4 | Confident | 117 Ų | 117 | 72.4 Ų | 72.4 | 55% | 0.547 | 38% | 0.375 | S | S | . | . | trans | -70.1 | 27.9 | 178.6 | -61 | 179.2 | 0.7 | 0 | 0 | 113 | P88 L306 | P88-Q308 VanDerWaalsContact CG-NE2 3.3Å; L306-Q308 PolarHBondContact O-N 3.49Å | ||
| 309 | D | 79.7 | Confident | 84.3 | Confident | 41 Ų | 41 | 70 Ų | 70 | 22% | 0.219 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -91.4 | 137.1 | -178.4 | -76.9 | -55 | 0 | 0 | 0 | 109.9 | T307 R311 R324 Y331 W346 | T307-D309 PolarHBondContact O-N 2.81Å; D309-R311 PolarHBondContact O-NH1 3.24Å; D309-R324 IonicContact OD1-NH2 3.69Å; D309-R324 IonicContact OD2-CZ 2.76Å; D309-R324 IonicContact OD2-NH2 3.52Å; D309-R324 PolarHBondContact OD2-NH2 2.85Å; D309-Y331 HydrophobicContact CB-CD2 4.45Å; D309-Y331 HydrophobicContact CB-CE2 3.77Å; D309-Y331 PolarHBondContact OD1-OH 3.45Å; D309-W346 VanDerWaalsContact CB-NE1 3.33Å; D309-W346 PolarHBondContact OD2-NE1 3.22Å |
| 310 | Q | 86.4 | Confident | 84.3 | Confident | 82 Ų | 82 | 69.6 Ų | 69.6 | 38% | 0.383 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 164.2 | 178.4 | 67 | -173.7 | -12.1 | 0 | 0 | 113.3 | L342 R344 G345 W346 | Q310-L342 PolarHBondContact NE2-O 2.9Å; Q310-R344 WeakPolarHBondContact CG-O 3.47Å; Q310-R344 PolarHBondContact NE2-O 3.27Å; Q310-G345 CarbonylContact O-C 3.5Å; Q310-G345 WeakPolarHBondContact O-CA 3.23Å; Q310-W346 PolarHBondContact O-N 2.93Å |
| 311 | R | 90.2 | Very high | 84.2 | Confident | 16 Ų | 16 | 68.5 Ų | 68.5 | 6% | 0.06 | 36% | 0.361 | C | S | . | . | B | Isolated β-bridge | trans | -85 | 136 | 169.9 | -62.3 | -62.3 | 177.3 | -100.6 | 7.1 | 110.1 | Y286 G288 Y290 P304 D309 P313 W346 | Y286-R311 HydrophobicContact CE1-CB 4.29Å; Y286-R311 WeakPolarHBondContact OH-CD 3.36Å; G288-R311 WeakPolarHBondContact O-CB 3.35Å; Y290-R311 HydrophobicContact CD1-CG 4.23Å; Y290-R311 HydrophobicContact CE1-CG 3.96Å; Y290-R311 HydrophobicContact CE2-CG 4.27Å; Y290-R311 HydrophobicContact CG-CG 4.5Å; P304-R311 PolarHBondContact O-NH1 3.18Å; P304-R311 PolarHBondContact O-NH2 2.97Å; D309-R311 PolarHBondContact O-NH1 3.24Å; R311-P313 WeakPolarHBondContact O-CD 3.46Å; R311-W346 WeakPolarHBondContact CA-O 3.42Å |
| 312 | L | 91 | Very high | 84.2 | Confident | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | trans | -96.4 | 107 | -179.4 | -175.1 | 63.1 | 0 | 0 | 0 | 108.8 | Y286 L314 V320 K334 W346 F347 | Y286-L312 WeakPolarHBondContact CD1-O 3.4Å; L312-L314 HydrophobicContact CD2-CD2 3.97Å; L312-L314 HydrophobicContact CG-CD2 3.96Å; L312-V320 HydrophobicContact CD2-CG1 4.33Å; L312-K334 HydrophobicContact CD1-CD 4.39Å; L312-K334 HydrophobicContact CD1-CG 4.16Å; L312-K334 HydrophobicContact CD2-CG 4.14Å; L312-K334 HydrophobicContact CG-CG 4.36Å; L312-W346 PolarHBondContact N-O 3.04Å; L312-F347 HydrophobicContact CB-CD1 4.14Å; L312-F347 HydrophobicContact CD2-CD1 3.92Å; L312-F347 HydrophobicContact CD2-CE1 3.99Å | ||
| 313 | P | 91.4 | Very high | 84 | Confident | 63 Ų | 63 | 63.3 Ų | 63.3 | 41% | 0.409 | 34% | 0.336 | S | S | . | . | trans | -62.6 | 141.4 | 172.9 | 26.9 | -33.7 | 0 | 0 | 0 | 109 | Y286 R311 K334 | Y286-P313 CarbonylContact O-C 3.58Å; Y286-P313 WeakPolarHBondContact O-CA 3.36Å; R311-P313 WeakPolarHBondContact O-CD 3.46Å; P313-K334 WeakPolarHBondContact O-CE 3.34Å; P313-K334 PolarHBondContact O-NZ 3.36Å | ||
| 314 | L | 91.7 | Very high | 83.9 | Confident | 3 Ų | 3 | 67.7 Ų | 67.7 | 2% | 0.016 | 35% | 0.351 | C | S | . | . | B | Isolated β-bridge | trans | -127.2 | 141.8 | -178.1 | -60 | 179 | 0 | 0 | 0 | 110.8 | V282 N285 Y286 L312 V320 F347 C351 V352 | V282-L314 HydrophobicContact CG1-CB 3.79Å; V282-L314 HydrophobicContact CG1-CD1 4.47Å; V282-L314 HydrophobicContact CG2-CB 4.1Å; V282-L314 HydrophobicContact CG2-CD1 4.23Å; V282-L314 HydrophobicContact CG2-CD2 4.07Å; V282-L314 HydrophobicContact CG2-CG 4.37Å; N285-L314 CarbonylContact C-O 3.55Å; N285-L314 WeakPolarHBondContact CA-O 3.32Å; Y286-L314 PolarHBondContact N-O 2.85Å; Y286-L314 PolarHBondContact O-N 3.39Å; L312-L314 HydrophobicContact CD2-CD2 3.97Å; L312-L314 HydrophobicContact CG-CD2 3.96Å; L314-V320 HydrophobicContact CD2-CG2 3.7Å; L314-F347 HydrophobicContact CD1-CB 3.74Å; L314-F347 HydrophobicContact CD1-CD1 4.3Å; L314-F347 HydrophobicContact CD1-CD2 3.62Å; L314-F347 HydrophobicContact CD1-CE2 4.24Å; L314-F347 HydrophobicContact CD1-CG 3.63Å; L314-F347 HydrophobicContact CG-CB 4.3Å; L314-F347 HydrophobicContact CG-CG 4.41Å; L314-C351 HydrophobicContact CD1-CB 3.73Å; L314-V352 HydrophobicContact CD1-CG1 4.13Å |
| 315 | K | 91 | Very high | 84 | Confident | 145 Ų | 145 | 69 Ų | 69 | 63% | 0.63 | 37% | 0.368 | S | S | * | . | trans | -119.5 | 141 | 171.3 | -66.2 | -176.3 | 178.6 | -178.9 | 0 | 110.5 | V282 N285 G317 E318 | V282-K315 VanDerWaalsContact CB-O 3.32Å; V282-K315 WeakPolarHBondContact CB-O 3.42Å; V282-K315 VanDerWaalsContact CG1-O 3.29Å; V282-K315 WeakPolarHBondContact CG1-O 3.4Å; N285-K315 VanDerWaalsContact OD1-CA 3.28Å; N285-K315 WeakPolarHBondContact OD1-CA 3.44Å; K315-G317 PolarHBondContact O-N 3.33Å; K315-E318 HydrophobicContact CB-CG 4.15Å; K315-E318 PolarHBondContact N-OE2 3.36Å; K315-E318 WeakPolarHBondContact O-CB 3.46Å; K315-E318 WeakPolarHBondContact O-CG 3.42Å; K315-E318 PolarHBondContact O-N 3.46Å; K315-E318 VanDerWaalsContact O-N 3.12Å | ||
| 316 | I | 91.5 | Very high | 84.4 | Confident | 105 Ų | 105 | 65.9 Ų | 65.9 | 54% | 0.538 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 134.1 | 177.3 | -66.6 | 166.6 | 0 | 0 | 0 | 109.8 | N285 | N285-I316 WeakPolarHBondContact OD1-CG1 3.25Å; N285-I316 PolarHBondContact OD1-N 2.86Å |
| 317 | G | 83.9 | Confident | 85.4 | Confident | 68 Ų | 68 | 65.6 Ų | 65.6 | 70% | 0.701 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.1 | -10.9 | -178 | 0 | 0 | 0 | 0 | 0 | 115 | V282 K315 | V282-G317 PolarHBondContact O-N 3Å; V282-G317 VanDerWaalsContact O-N 3.17Å; K315-G317 PolarHBondContact O-N 3.33Å |
| 318 | E | 88.6 | Confident | 86.5 | Confident | 53 Ų | 53 | 65.4 Ų | 65.4 | 25% | 0.248 | 34% | 0.344 | C | S | . | . | trans | -71.7 | 152.8 | 170.8 | -66.6 | 177.1 | 149.1 | 0 | 0 | 111.6 | V282 K315 K334 | V282-E318 HydrophobicContact CB-CB 4.49Å; V282-E318 HydrophobicContact CG2-CB 4.02Å; V282-E318 WeakPolarHBondContact CG2-O 3.24Å; V282-E318 PolarHBondContact N-O 3.49Å; K315-E318 HydrophobicContact CB-CG 4.15Å; K315-E318 PolarHBondContact N-OE2 3.36Å; K315-E318 WeakPolarHBondContact O-CB 3.46Å; K315-E318 WeakPolarHBondContact O-CG 3.42Å; K315-E318 PolarHBondContact O-N 3.46Å; K315-E318 VanDerWaalsContact O-N 3.12Å; E318-K334 IonicContact OE1-NZ 2.8Å; E318-K334 PolarHBondContact OE1-NZ 3.02Å; E318-K334 WeakPolarHBondContact OE2-CE 3.47Å; E318-K334 IonicContact OE2-NZ 3.76Å; E318-K334 PolarHBondContact OE2-NZ 3.04Å | ||
| 319 | R | 88 | Confident | 87.8 | Confident | 146 Ų | 146 | 59.8 Ų | 59.8 | 55% | 0.551 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 135.6 | 171.3 | -77.5 | -169.9 | -86.7 | -175.2 | -6.4 | 111.3 | Q335 | R319-Q335 PolarHBondContact O-N 2.89Å |
| 320 | V | 89.8 | Confident | 88.4 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 129.3 | -178.4 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | C280 V282 L312 L314 C333 K334 F347 | C280-V320 PolarHBondContact N-O 2.96Å; C280-V320 PolarHBondContact O-N 2.73Å; V282-V320 HydrophobicContact CG2-CG2 3.73Å; L312-V320 HydrophobicContact CD2-CG1 4.33Å; L314-V320 HydrophobicContact CD2-CG2 3.7Å; V320-C333 CarbonylContact C-O 3.54Å; V320-C333 WeakPolarHBondContact CA-O 3.33Å; V320-K334 HydrophobicContact CG2-CG 4.21Å; V320-F347 HydrophobicContact CG1-CE1 3.74Å; V320-F347 HydrophobicContact CG1-CZ 3.68Å |
| 321 | T | 88.1 | Confident | 88.5 | Confident | 32 Ų | 32 | 56.8 Ų | 56.8 | 20% | 0.196 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 111 | 171 | -54.5 | 0 | 0 | 0 | 0 | 108.8 | S277 G332 C333 Q335 | S277-T321 WeakPolarHBondContact OG-CG2 3.3Å; T321-G332 CarbonylContact O-C 3.49Å; T321-G332 WeakPolarHBondContact O-CA 3.3Å; T321-C333 PolarHBondContact N-O 2.93Å; T321-C333 PolarHBondContact O-N 3.15Å; T321-Q335 PolarHBondContact OG1-NE2 2.91Å; T321-Q335 VanDerWaalsContact OG1-NE2 3.1Å |
| 322 | V | 88.2 | Confident | 88.5 | Confident | 12 Ų | 12 | 56.1 Ų | 56.1 | 7% | 0.073 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 129.7 | -179.9 | 179.5 | 0 | 0 | 0 | 0 | 109.2 | S277 E278 C280 L330 F347 | S277-V322 CarbonylContact C-O 3.51Å; S277-V322 WeakPolarHBondContact CA-O 3.48Å; S277-V322 WeakPolarHBondContact CB-O 3.44Å; E278-V322 PolarHBondContact N-O 3.22Å; E278-V322 PolarHBondContact O-N 3.32Å; C280-V322 HydrophobicContact CB-CG2 4.24Å; V322-L330 HydrophobicContact CG1-CB 4.08Å; V322-L330 HydrophobicContact CG1-CD1 4.19Å; V322-L330 HydrophobicContact CG1-CD2 4.06Å; V322-L330 HydrophobicContact CG1-CG 4.33Å; V322-L330 HydrophobicContact CG2-CD1 4.18Å; V322-F347 HydrophobicContact CG2-CZ 4Å |
| 323 | S | 83.7 | Confident | 88.4 | Confident | 56 Ų | 56 | 57.2 Ų | 57.2 | 39% | 0.392 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | -22.2 | -175.7 | 58.8 | 0 | 0 | 0 | 0 | 114.5 | Y331 | S323-Y331 PolarHBondContact N-O 2.97Å; S323-Y331 PolarHBondContact OG-O 3.1Å; S323-Y331 VanDerWaalsContact OG-O 3.12Å |
| 324 | R | 83.9 | Confident | 88.2 | Confident | 113 Ų | 113 | 55.5 Ų | 55.5 | 43% | 0.426 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 162.9 | 177.2 | 61.1 | -175.2 | 176 | 164.7 | 3 | 109.6 | D309 Y331 | D309-R324 IonicContact OD1-NH2 3.69Å; D309-R324 IonicContact OD2-CZ 2.76Å; D309-R324 IonicContact OD2-NH2 3.52Å; D309-R324 PolarHBondContact OD2-NH2 2.85Å; R324-Y331 HydrophobicContact CG-CD1 4.1Å; R324-Y331 HydrophobicContact CG-CG 4.15Å; R324-Y331 PolarHBondContact N-O 3.44Å; R324-Y331 PolarHBondContact O-N 3.02Å |
| 325 | G | 84.3 | Confident | 87.3 | Confident | 47 Ų | 47 | 59.6 Ų | 59.6 | 49% | 0.485 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 164.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | W329 | G325-W329 CarbonylContact C-O 3.51Å; G325-W329 VanDerWaalsContact CA-O 3.24Å; G325-W329 WeakPolarHBondContact CA-O 3.47Å |
| 326 | C | 83.8 | Confident | 86.1 | Confident | 56 Ų | 56 | 56.5 Ų | 56.5 | 38% | 0.378 | 31% | 0.309 | S | S | . | . | trans | -117.8 | -174.1 | 161.4 | 74.7 | 0 | 0 | 0 | 0 | 108.8 | H328 W329 | C326-H328 VanDerWaalsContact C-N 3.25Å; C326-H328 PolarHBondContact O-N 2.83Å; C326-W329 PolarHBondContact N-O 2.85Å; C326-W329 PolarHBondContact O-N 3.43Å | ||
| 327 | K | 85.7 | Confident | 84.1 | Confident | 170 Ų | 170 | 57.3 Ų | 57.3 | 74% | 0.739 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -48.9 | -40.6 | -171.7 | -169 | 172.6 | -179.8 | 171.5 | 0 | 114.6 | ||
| 328 | H | 90.4 | Very high | 82.6 | Confident | 44 Ų | 44 | 63.2 Ų | 63.2 | 20% | 0.204 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -125.6 | -2.3 | -176.8 | -50 | 111.7 | 0 | 0 | 0 | 114.7 | V299 S302 C326 K349 | V299-H328 HydrophobicContact CG2-CB 4.19Å; S302-H328 WeakPolarHBondContact CB-ND1 3.37Å; S302-H328 WeakPolarHBondContact OG-CB 3.43Å; S302-H328 PolarHBondContact OG-ND1 3.05Å; C326-H328 VanDerWaalsContact C-N 3.25Å; C326-H328 PolarHBondContact O-N 2.83Å; H328-K349 WeakPolarHBondContact O-CB 3.44Å; H328-K349 PolarHBondContact O-N 2.96Å |
| 329 | W | 92.4 | Very high | 80.9 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 140.5 | -177.1 | -68.9 | 79.5 | 0 | 0 | 0 | 111 | C292 V299 S302 Q303 P304 G325 C326 W346 F347 P348 | C292-W329 VanDerWaalsContact SG-CZ2 3.56Å; V299-W329 HydrophobicContact CG1-CZ2 3.83Å; V299-W329 PolarHBondContact O-NE1 3.44Å; S302-W329 VanDerWaalsContact O-CD1 3.24Å; Q303-W329 HydrophobicContact CB-CZ2 4.39Å; Q303-W329 HydrophobicContact CG-CH2 3.94Å; Q303-W329 HydrophobicContact CG-CZ2 3.21Å; P304-W329 VanDerWaalsContact CD-CG 3.48Å; P304-W329 HydrophobicContact CG-CB 4.14Å; P304-W329 HydrophobicContact CG-CD2 4.34Å; P304-W329 HydrophobicContact CG-CG 4.16Å; G325-W329 CarbonylContact C-O 3.51Å; G325-W329 VanDerWaalsContact CA-O 3.24Å; G325-W329 WeakPolarHBondContact CA-O 3.47Å; C326-W329 PolarHBondContact N-O 2.85Å; C326-W329 PolarHBondContact O-N 3.43Å; W329-W346 HydrophobicContact CB-CE3 3.8Å; W329-W346 HydrophobicContact CB-CZ3 4.13Å; W329-W346 HydrophobicContact CE3-CB 4Å; W329-W346 HydrophobicContact CZ3-CB 4.43Å; W329-F347 WeakPolarHBondContact CA-O 3.34Å; W329-P348 HydrophobicContact CH2-CG 4.09Å; W329-P348 HydrophobicContact CZ2-CG 4.41Å; W329-P348 HydrophobicContact CZ3-CG 4.23Å |
| 330 | L | 91.6 | Very high | 79.3 | Confident | 24 Ų | 24 | 62.5 Ų | 62.5 | 13% | 0.126 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 150.7 | 174.9 | -64 | 179.7 | 0 | 0 | 0 | 109.6 | V322 W346 F347 K349 V352 | V322-L330 HydrophobicContact CG1-CB 4.08Å; V322-L330 HydrophobicContact CG1-CD1 4.19Å; V322-L330 HydrophobicContact CG1-CD2 4.06Å; V322-L330 HydrophobicContact CG1-CG 4.33Å; V322-L330 HydrophobicContact CG2-CD1 4.18Å; L330-W346 CarbonylContact O-C 3.58Å; L330-W346 WeakPolarHBondContact O-CA 3.37Å; L330-F347 HydrophobicContact CB-CD2 4.17Å; L330-F347 HydrophobicContact CB-CE2 3.63Å; L330-F347 HydrophobicContact CB-CZ 3.85Å; L330-F347 HydrophobicContact CD1-CE2 4.15Å; L330-F347 HydrophobicContact CG-CE2 4.48Å; L330-F347 PolarHBondContact N-O 2.9Å; L330-F347 PolarHBondContact O-N 3.09Å; L330-K349 HydrophobicContact CD1-CB 4.28Å; L330-K349 HydrophobicContact CD1-CG 3.94Å; L330-K349 HydrophobicContact CD2-CG 4.45Å; L330-K349 HydrophobicContact CG-CB 4.03Å; L330-K349 HydrophobicContact CG-CG 4.05Å; L330-V352 HydrophobicContact CD1-CG2 3.54Å |
| 331 | Y | 90.1 | Very high | 77.7 | Confident | 36 Ų | 36 | 68.8 Ų | 68.8 | 14% | 0.141 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 125 | 175.3 | -175.1 | -89.7 | 0 | 0 | 0 | 109.3 | D309 S323 R324 G345 W346 | D309-Y331 HydrophobicContact CB-CD2 4.45Å; D309-Y331 HydrophobicContact CB-CE2 3.77Å; D309-Y331 PolarHBondContact OD1-OH 3.45Å; S323-Y331 PolarHBondContact N-O 2.97Å; S323-Y331 PolarHBondContact OG-O 3.1Å; S323-Y331 VanDerWaalsContact OG-O 3.12Å; R324-Y331 HydrophobicContact CG-CD1 4.1Å; R324-Y331 HydrophobicContact CG-CG 4.15Å; R324-Y331 PolarHBondContact N-O 3.44Å; R324-Y331 PolarHBondContact O-N 3.02Å; Y331-G345 WeakPolarHBondContact CA-O 3.39Å; Y331-G345 VanDerWaalsContact CD2-C 3.49Å; Y331-W346 AromaticContact CD2-CD1 3.61Å; Y331-W346 AromaticContact CD2-CD2 3.79Å; Y331-W346 HydrophobicContact CD2-CD2 3.79Å; Y331-W346 AromaticContact CD2-CE2 3.63Å; Y331-W346 AromaticContact CD2-CG 3.79Å; Y331-W346 HydrophobicContact CD2-CG 3.79Å; Y331-W346 HydrophobicContact CD2-CZ2 4.3Å; Y331-W346 AromaticContact CD2-NE1 3.45Å; Y331-W346 AromaticContact CE2-NE1 3.94Å; Y331-W346 HydrophobicContact CG-CD2 4.33Å; Y331-W346 HydrophobicContact CG-CZ2 4.5Å |
| 332 | G | 89 | Confident | 76.4 | Confident | 1 Ų | 1 | 72.8 Ų | 72.8 | 1% | 0.01 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | -177.3 | -174 | 0 | 0 | 0 | 0 | 0 | 113.7 | T321 R344 G345 | T321-G332 CarbonylContact O-C 3.49Å; T321-G332 WeakPolarHBondContact O-CA 3.3Å; G332-R344 VanDerWaalsContact O-CA 3.28Å; G332-R344 WeakPolarHBondContact O-CA 3Å; G332-G345 PolarHBondContact N-O 3.12Å; G332-G345 PolarHBondContact O-N 2.99Å; G332-G345 VanDerWaalsContact O-N 3.16Å |
| 333 | C | 89.1 | Confident | 76 | Confident | 27 Ų | 27 | 73.8 Ų | 73.8 | 18% | 0.182 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 132.8 | 177.2 | -169.3 | 0 | 0 | 0 | 0 | 110.6 | V320 T321 N343 R344 | V320-C333 CarbonylContact C-O 3.54Å; V320-C333 WeakPolarHBondContact CA-O 3.33Å; T321-C333 PolarHBondContact N-O 2.93Å; T321-C333 PolarHBondContact O-N 3.15Å; C333-N343 CarbonylContact C-O 3.5Å; C333-N343 WeakPolarHBondContact CA-O 3.47Å; C333-N343 PolarHBondContact SG-O 3.36Å; C333-R344 HydrophobicContact CB-CG 3.79Å; C333-R344 VanDerWaalsContact SG-CG 3.58Å |
| 334 | K | 87.6 | Confident | 76.2 | Confident | 27 Ų | 27 | 76.7 Ų | 76.7 | 12% | 0.117 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 140.5 | 168 | -72.1 | -172.7 | -177.4 | -170.3 | 0 | 111.2 | L312 P313 E318 V320 S336 N343 | L312-K334 HydrophobicContact CD1-CD 4.39Å; L312-K334 HydrophobicContact CD1-CG 4.16Å; L312-K334 HydrophobicContact CD2-CG 4.14Å; L312-K334 HydrophobicContact CG-CG 4.36Å; P313-K334 WeakPolarHBondContact O-CE 3.34Å; P313-K334 PolarHBondContact O-NZ 3.36Å; E318-K334 IonicContact OE1-NZ 2.8Å; E318-K334 PolarHBondContact OE1-NZ 3.02Å; E318-K334 WeakPolarHBondContact OE2-CE 3.47Å; E318-K334 IonicContact OE2-NZ 3.76Å; E318-K334 PolarHBondContact OE2-NZ 3.04Å; V320-K334 HydrophobicContact CG2-CG 4.21Å; K334-S336 PolarHBondContact O-N 3.13Å; K334-N343 HydrophobicContact CB-CB 4.24Å; K334-N343 PolarHBondContact N-O 2.88Å |
| 335 | Q | 73.4 | Confident | 76.5 | Confident | 90 Ų | 90 | 71.3 Ų | 71.3 | 42% | 0.421 | 38% | 0.376 | S | S | . | . | trans | -87.7 | 91.9 | 167.6 | -67.2 | -176.6 | -0.6 | 0 | 0 | 108.9 | E279 R319 T321 | E279-Q335 PolarHBondContact OE1-NE2 3.07Å; R319-Q335 PolarHBondContact O-N 2.89Å; T321-Q335 PolarHBondContact OG1-NE2 2.91Å; T321-Q335 VanDerWaalsContact OG1-NE2 3.1Å | ||
| 336 | S | 64.9 | Low | 76.8 | Confident | 79 Ų | 79 | 69.8 Ų | 69.8 | 55% | 0.552 | 36% | 0.356 | S | S | * | . | trans | -158.4 | 145.8 | 175.7 | 154.5 | 0 | 0 | 0 | 0 | 110.4 | K334 N343 | K334-S336 PolarHBondContact O-N 3.13Å; S336-N343 PolarHBondContact O-ND2 2.82Å | ||
| 337 | T | 48.7 | Very low | 77.3 | Confident | 123 Ų | 123 | 67.1 Ų | 67.1 | 76% | 0.755 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -56.1 | 144.6 | -164.6 | 35.2 | 0 | 0 | 0 | 0 | 115.6 | N339 | T337-N339 PolarHBondContact O-N 2.93Š|
| 338 | E | 53.8 | Low | 77.6 | Confident | 192 Ų | 192 | 59 Ų | 59 | 90% | 0.897 | 30% | 0.302 | S | S | * | . | S | Bend | trans | 76.7 | -18.1 | 162.6 | -65.9 | 179.8 | 171.8 | 0 | 0 | 122 | ||
| 339 | N | 52.8 | Low | 77.7 | Confident | 103 Ų | 103 | 62.6 Ų | 62.6 | 55% | 0.551 | 32% | 0.318 | S | S | * | . | trans | -143.6 | 87.9 | 178 | -110.7 | -34.6 | 0 | 0 | 0 | 117.1 | T337 K341 L342 N343 | T337-N339 PolarHBondContact O-N 2.93Å; N339-K341 VanDerWaalsContact C-N 3.25Å; N339-K341 PolarHBondContact O-N 3.45Å; N339-K341 VanDerWaalsContact O-N 3.09Å; N339-L342 PolarHBondContact O-N 3.46Å; N339-N343 PolarHBondContact O-ND2 2.94Å | ||
| 340 | C | 54.1 | Low | 77.6 | Confident | 80 Ų | 80 | 66.7 Ų | 66.7 | 54% | 0.541 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -18.4 | -173.3 | -157.6 | 0 | 0 | 0 | 0 | 115.7 | R344 | C340-R344 PolarHBondContact O-NE 3.47Å; C340-R344 PolarHBondContact SG-NH2 2.93Å |
| 341 | K | 55.2 | Low | 77.6 | Confident | 133 Ų | 133 | 65.5 Ų | 65.5 | 58% | 0.578 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -30.3 | -175.7 | -82.6 | 174.1 | 172.1 | 176.1 | 0 | 114.2 | R74 N339 | R74-K341 VanDerWaalsContact NH2-CD 3.34Å; N339-K341 VanDerWaalsContact C-N 3.25Å; N339-K341 PolarHBondContact O-N 3.45Å; N339-K341 VanDerWaalsContact O-N 3.09Å |
| 342 | L | 62.8 | Low | 77.6 | Confident | 116 Ų | 116 | 64.6 Ų | 64.6 | 61% | 0.607 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -19.6 | 179 | -77 | 161 | 0 | 0 | 0 | 112 | Q310 N339 R344 | Q310-L342 PolarHBondContact NE2-O 2.9Å; N339-L342 PolarHBondContact O-N 3.46Å; L342-R344 VanDerWaalsContact C-N 3.25Å; L342-R344 PolarHBondContact O-N 3.49Å |
| 343 | N | 79.4 | Confident | 77.5 | Confident | 32 Ų | 32 | 68.3 Ų | 68.3 | 17% | 0.171 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -85 | 18.9 | -173.3 | -71.4 | -14.3 | 0 | 0 | 0 | 114.6 | C333 K334 S336 N339 | C333-N343 CarbonylContact C-O 3.5Å; C333-N343 WeakPolarHBondContact CA-O 3.47Å; C333-N343 PolarHBondContact SG-O 3.36Å; K334-N343 HydrophobicContact CB-CB 4.24Å; K334-N343 PolarHBondContact N-O 2.88Å; S336-N343 PolarHBondContact O-ND2 2.82Å; N339-N343 PolarHBondContact O-ND2 2.94Å |
| 344 | R | 87.1 | Confident | 77.2 | Confident | 118 Ų | 118 | 69.7 Ų | 69.7 | 45% | 0.445 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 139.5 | -177.5 | -60.3 | -177.6 | -172.7 | -170.3 | -0.6 | 112.3 | Q310 G332 C333 C340 L342 | Q310-R344 WeakPolarHBondContact CG-O 3.47Å; Q310-R344 PolarHBondContact NE2-O 3.27Å; G332-R344 VanDerWaalsContact O-CA 3.28Å; G332-R344 WeakPolarHBondContact O-CA 3Å; C333-R344 HydrophobicContact CB-CG 3.79Å; C333-R344 VanDerWaalsContact SG-CG 3.58Å; C340-R344 PolarHBondContact O-NE 3.47Å; C340-R344 PolarHBondContact SG-NH2 2.93Å; L342-R344 VanDerWaalsContact C-N 3.25Å; L342-R344 PolarHBondContact O-N 3.49Å |
| 345 | G | 89.4 | Confident | 76.2 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.2 | -178.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q310 Y331 G332 | Q310-G345 CarbonylContact O-C 3.5Å; Q310-G345 WeakPolarHBondContact O-CA 3.23Å; Y331-G345 WeakPolarHBondContact CA-O 3.39Å; Y331-G345 VanDerWaalsContact CD2-C 3.49Å; G332-G345 PolarHBondContact N-O 3.12Å; G332-G345 PolarHBondContact O-N 2.99Å; G332-G345 VanDerWaalsContact O-N 3.16Å |
| 346 | W | 91.8 | Very high | 75.7 | Confident | 14 Ų | 14 | 74.4 Ų | 74.4 | 5% | 0.053 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 143.1 | 176.9 | -69.7 | 98.4 | 0 | 0 | 0 | 112 | P304 T307 D309 Q310 R311 L312 W329 L330 Y331 | P304-W346 HydrophobicContact CB-CD2 4.14Å; P304-W346 HydrophobicContact CB-CE3 4.44Å; P304-W346 HydrophobicContact CB-CH2 4.48Å; P304-W346 HydrophobicContact CB-CZ2 4.21Å; P304-W346 HydrophobicContact CG-CB 4.16Å; P304-W346 HydrophobicContact CG-CD2 3.4Å; P304-W346 VanDerWaalsContact CG-CD2 3.4Å; P304-W346 HydrophobicContact CG-CE3 3.64Å; P304-W346 HydrophobicContact CG-CG 3.65Å; P304-W346 HydrophobicContact CG-CZ2 4.35Å; P304-W346 HydrophobicContact CG-CZ3 4.18Å; T307-W346 HydrophobicContact CG2-CZ2 4.32Å; T307-W346 PolarHBondContact OG1-NE1 2.93Å; D309-W346 VanDerWaalsContact CB-NE1 3.33Å; D309-W346 PolarHBondContact OD2-NE1 3.22Å; Q310-W346 PolarHBondContact O-N 2.93Å; R311-W346 WeakPolarHBondContact CA-O 3.42Å; L312-W346 PolarHBondContact N-O 3.04Å; W329-W346 HydrophobicContact CB-CE3 3.8Å; W329-W346 HydrophobicContact CB-CZ3 4.13Å; W329-W346 HydrophobicContact CE3-CB 4Å; W329-W346 HydrophobicContact CZ3-CB 4.43Å; L330-W346 CarbonylContact O-C 3.58Å; L330-W346 WeakPolarHBondContact O-CA 3.37Å; Y331-W346 AromaticContact CD2-CD1 3.61Å; Y331-W346 AromaticContact CD2-CD2 3.79Å; Y331-W346 HydrophobicContact CD2-CD2 3.79Å; Y331-W346 AromaticContact CD2-CE2 3.63Å; Y331-W346 AromaticContact CD2-CG 3.79Å; Y331-W346 HydrophobicContact CD2-CG 3.79Å; Y331-W346 HydrophobicContact CD2-CZ2 4.3Å; Y331-W346 AromaticContact CD2-NE1 3.45Å; Y331-W346 AromaticContact CE2-NE1 3.94Å; Y331-W346 HydrophobicContact CG-CD2 4.33Å; Y331-W346 HydrophobicContact CG-CZ2 4.5Å |
| 347 | F | 93 | Very high | 75.3 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 157.7 | 174.2 | 53.4 | -91.1 | 0 | 0 | 0 | 111.4 | Y286 L312 L314 V320 V322 W329 L330 V352 | Y286-F347 HydrophobicContact CD1-CB 3.83Å; Y286-F347 HydrophobicContact CE1-CB 4.06Å; L312-F347 HydrophobicContact CB-CD1 4.14Å; L312-F347 HydrophobicContact CD2-CD1 3.92Å; L312-F347 HydrophobicContact CD2-CE1 3.99Å; L314-F347 HydrophobicContact CD1-CB 3.74Å; L314-F347 HydrophobicContact CD1-CD1 4.3Å; L314-F347 HydrophobicContact CD1-CD2 3.62Å; L314-F347 HydrophobicContact CD1-CE2 4.24Å; L314-F347 HydrophobicContact CD1-CG 3.63Å; L314-F347 HydrophobicContact CG-CB 4.3Å; L314-F347 HydrophobicContact CG-CG 4.41Å; V320-F347 HydrophobicContact CG1-CE1 3.74Å; V320-F347 HydrophobicContact CG1-CZ 3.68Å; V322-F347 HydrophobicContact CG2-CZ 4Å; W329-F347 WeakPolarHBondContact CA-O 3.34Å; L330-F347 HydrophobicContact CB-CD2 4.17Å; L330-F347 HydrophobicContact CB-CE2 3.63Å; L330-F347 HydrophobicContact CB-CZ 3.85Å; L330-F347 HydrophobicContact CD1-CE2 4.15Å; L330-F347 HydrophobicContact CG-CE2 4.48Å; L330-F347 PolarHBondContact N-O 2.9Å; L330-F347 PolarHBondContact O-N 3.09Å; F347-V352 HydrophobicContact CD2-CG1 4.1Å; F347-V352 HydrophobicContact CE2-CB 4.3Å; F347-V352 HydrophobicContact CE2-CG1 3.49Å; F347-V352 VanDerWaalsContact CE2-CG1 3.49Å; F347-V352 HydrophobicContact CE2-CG2 3.79Å; F347-V352 HydrophobicContact CZ-CG1 4.21Å |
| 348 | P | 93.4 | Very high | 75.6 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 136 | 176.5 | -25 | 35.4 | 0 | 0 | 0 | 112.5 | Y286 Y295 V299 W329 Q350 C351 | Y286-P348 HydrophobicContact CD2-CG 4.5Å; Y286-P348 HydrophobicContact CE2-CG 4.49Å; Y295-P348 HydrophobicContact CD1-CB 4.42Å; Y295-P348 HydrophobicContact CD1-CG 4.41Å; Y295-P348 HydrophobicContact CD2-CG 3.97Å; Y295-P348 HydrophobicContact CE2-CG 4.31Å; Y295-P348 HydrophobicContact CG-CB 4.26Å; Y295-P348 HydrophobicContact CG-CG 4.01Å; V299-P348 HydrophobicContact CG1-CB 3.93Å; V299-P348 HydrophobicContact CG1-CG 4.15Å; W329-P348 HydrophobicContact CH2-CG 4.09Å; W329-P348 HydrophobicContact CZ2-CG 4.41Å; W329-P348 HydrophobicContact CZ3-CG 4.23Å; P348-Q350 HydrophobicContact CB-CG 4.34Å; P348-Q350 PolarHBondContact O-N 3.33Å; P348-Q350 VanDerWaalsContact O-N 3.15Å; P348-C351 WeakPolarHBondContact O-CB 3.09Å; P348-C351 PolarHBondContact O-N 3.16Å |
| 349 | K | 91.8 | Very high | 75 | Confident | 120 Ų | 120 | 70.8 Ų | 70.8 | 52% | 0.522 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -55.5 | -35.1 | -178.3 | -179.5 | 171.9 | -178.5 | 179.1 | 0 | 113.2 | H328 L330 C351 V352 | H328-K349 WeakPolarHBondContact O-CB 3.44Å; H328-K349 PolarHBondContact O-N 2.96Å; L330-K349 HydrophobicContact CD1-CB 4.28Å; L330-K349 HydrophobicContact CD1-CG 3.94Å; L330-K349 HydrophobicContact CD2-CG 4.45Å; L330-K349 HydrophobicContact CG-CB 4.03Å; L330-K349 HydrophobicContact CG-CG 4.05Å; K349-C351 PolarHBondContact O-N 3.44Å; K349-V352 WeakPolarHBondContact O-CG2 3.22Å; K349-V352 PolarHBondContact O-N 2.98Å |
| 350 | Q | 90.5 | Very high | 74.6 | Confident | 85 Ų | 85 | 75.6 Ų | 75.6 | 40% | 0.397 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -73.8 | -9 | -178.7 | 67.4 | -165.3 | 20.3 | 0 | 0 | 115 | Y295 P348 V352 | Y295-Q350 VanDerWaalsContact C-NE2 3.34Å; Y295-Q350 HydrophobicContact CD1-CG 4.19Å; Y295-Q350 VanDerWaalsContact CD1-NE2 3.33Å; Y295-Q350 PolarHBondContact O-NE2 3.04Å; P348-Q350 HydrophobicContact CB-CG 4.34Å; P348-Q350 PolarHBondContact O-N 3.33Å; P348-Q350 VanDerWaalsContact O-N 3.15Å; Q350-V352 PolarHBondContact O-N 2.97Å |
| 351 | C | 91.1 | Very high | 73.9 | Confident | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -74.5 | -12.2 | 175.7 | -64.9 | 0 | 0 | 0 | 0 | 113.2 | V282 I283 Q284 Y295 L314 P348 K349 | V282-C351 WeakPolarHBondContact CA-O 3.48Å; I283-C351 PolarHBondContact N-O 3.36Å; Q284-C351 PolarHBondContact N-O 2.58Å; Y295-C351 VanDerWaalsContact CE1-SG 3.54Å; L314-C351 HydrophobicContact CD1-CB 3.73Å; P348-C351 WeakPolarHBondContact O-CB 3.09Å; P348-C351 PolarHBondContact O-N 3.16Å; K349-C351 PolarHBondContact O-N 3.44Å |
| 352 | V | 90.8 | Very high | 72.7 | Confident | 17 Ų | 17 | 77.7 Ų | 77.7 | 10% | 0.103 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 152.2 | -174.1 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | C280 S281 V282 L314 L330 F347 K349 Q350 | C280-V352 HydrophobicContact CB-CB 3.79Å; C280-V352 HydrophobicContact CB-CG1 4.45Å; C280-V352 HydrophobicContact CB-CG2 4.1Å; S281-V352 VanDerWaalsContact O-CA 3.32Å; S281-V352 WeakPolarHBondContact O-CA 3.4Å; V282-V352 HydrophobicContact CG2-CG1 4.27Å; L314-V352 HydrophobicContact CD1-CG1 4.13Å; L330-V352 HydrophobicContact CD1-CG2 3.54Å; F347-V352 HydrophobicContact CD2-CG1 4.1Å; F347-V352 HydrophobicContact CE2-CB 4.3Å; F347-V352 HydrophobicContact CE2-CG1 3.49Å; F347-V352 VanDerWaalsContact CE2-CG1 3.49Å; F347-V352 HydrophobicContact CE2-CG2 3.79Å; F347-V352 HydrophobicContact CZ-CG1 4.21Å; K349-V352 WeakPolarHBondContact O-CG2 3.22Å; K349-V352 PolarHBondContact O-N 2.98Å; Q350-V352 PolarHBondContact O-N 2.97Å |
| 353 | M | 87.6 | Confident | 71.3 | Confident | 78 Ų | 78 | 78 Ų | 78 | 38% | 0.384 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 144.8 | 171.2 | -168.2 | 177.1 | -63.6 | 0 | 0 | 108.6 | C280 S281 I283 S355 F357 | C280-M353 CarbonylContact C-O 3.33Å; C280-M353 WeakPolarHBondContact CA-O 3.47Å; C280-M353 VanDerWaalsContact CB-O 3.29Å; C280-M353 WeakPolarHBondContact CB-O 3.42Å; S281-M353 PolarHBondContact N-O 3.14Å; S281-M353 PolarHBondContact O-N 2.72Å; S281-M353 PolarHBondContact OG-O 2.99Å; I283-M353 HydrophobicContact CD1-CB 4.33Å; I283-M353 HydrophobicContact CD1-CE 3.96Å; I283-M353 HydrophobicContact CG2-CB 3.82Å; I283-M353 HydrophobicContact CG2-CE 4.48Å; M353-S355 PolarHBondContact O-N 3.03Å; M353-F357 HydrophobicContact CG-CB 4.23Å; M353-F357 HydrophobicContact SD-CB 4.09Å |
| 354 | L | 81.2 | Confident | 69 | Low | 57 Ų | 57 | 86.7 Ų | 86.7 | 30% | 0.298 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 131.3 | 173.6 | -82 | 168.1 | 0 | 0 | 0 | 109.6 | E278 E356 F357 | E278-L354 HydrophobicContact CB-CD2 3.69Å; E278-L354 HydrophobicContact CG-CD2 4.16Å; E278-L354 WeakPolarHBondContact OE2-CD2 3.48Å; L354-E356 PolarHBondContact O-N 3.4Å; L354-F357 HydrophobicContact CB-CD2 3.79Å; L354-F357 HydrophobicContact CB-CE2 4.37Å; L354-F357 HydrophobicContact CD1-CD2 4.47Å; L354-F357 HydrophobicContact CD1-CE2 4.27Å; L354-F357 PolarHBondContact O-N 3.43Å |
| 355 | S | 68.4 | Low | 66.2 | Low | 37 Ų | 37 | 84.5 Ų | 84.5 | 26% | 0.259 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -62.1 | -21.6 | -172.2 | -53.5 | 0 | 0 | 0 | 0 | 112.8 | E279 S281 M353 F357 | E279-S355 VanDerWaalsContact C-OG 3.31Å; E279-S355 WeakPolarHBondContact O-CB 3.45Å; E279-S355 PolarHBondContact O-N 3.07Å; E279-S355 VanDerWaalsContact O-N 3.09Å; E279-S355 PolarHBondContact O-OG 3.24Å; S281-S355 PolarHBondContact N-OG 3.41Å; M353-S355 PolarHBondContact O-N 3.03Å; S355-F357 PolarHBondContact O-N 3.18Å |
| 356 | E | 62.6 | Low | 63.4 | Low | 179 Ų | 179 | 93 Ų | 93 | 84% | 0.836 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -68.5 | -16.7 | 175.5 | -62.8 | -178.4 | 172.4 | 0 | 0 | 114 | L354 | L354-E356 PolarHBondContact O-N 3.4Š|
| 357 | F | 56.6 | Low | 60.5 | Low | 137 Ų | 137 | 99.9 Ų | 99.9 | 60% | 0.601 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -104.4 | 7.8 | -177.5 | -70.9 | -86.6 | 0 | 0 | 0 | 114 | M353 L354 S355 P359 | M353-F357 HydrophobicContact CG-CB 4.23Å; M353-F357 HydrophobicContact SD-CB 4.09Å; L354-F357 HydrophobicContact CB-CD2 3.79Å; L354-F357 HydrophobicContact CB-CE2 4.37Å; L354-F357 HydrophobicContact CD1-CD2 4.47Å; L354-F357 HydrophobicContact CD1-CE2 4.27Å; L354-F357 PolarHBondContact O-N 3.43Å; S355-F357 PolarHBondContact O-N 3.18Å; F357-P359 WeakPolarHBondContact O-CD 3.13Å |
| 358 | I | 53.1 | Low | 57.4 | Low | 85 Ų | 85 | 103.1 Ų | 103.1 | 44% | 0.436 | 56% | 0.556 | S | S | . | * | trans | -72.6 | 114.1 | 174.9 | -54.2 | 172.2 | 0 | 0 | 0 | 107.8 | S281 K360 | S281-I358 VanDerWaalsContact OG-CD1 3.24Å; S281-I358 WeakPolarHBondContact OG-CD1 3.25Å; S281-I358 WeakPolarHBondContact OG-CG1 3.13Å; I358-K360 PolarHBondContact O-N 3.19Å | ||
| 359 | P | 43 | Very low | 54.5 | Low | 96 Ų | 96 | 109.9 Ų | 109.9 | 62% | 0.623 | 60% | 0.597 | S | S | * | * | trans | -60.1 | 127.9 | 168.1 | -11.3 | 26.8 | 0 | 0 | 0 | 106.5 | F357 I361 | F357-P359 WeakPolarHBondContact O-CD 3.13Å; P359-I361 VanDerWaalsContact C-N 3.28Å; P359-I361 PolarHBondContact O-N 3.19Å | ||
| 360 | K | 43 | Very low | 51.6 | Low | 203 Ų | 203 | 112.2 Ų | 112.2 | 88% | 0.883 | 61% | 0.614 | S | S | * | * | trans | -58.4 | 96 | 171 | -73.7 | -177.9 | 179.6 | 178 | 0 | 107.8 | I358 C362 | I358-K360 PolarHBondContact O-N 3.19Å; K360-C362 VanDerWaalsContact C-N 3.28Å; K360-C362 PolarHBondContact O-N 3.06Å | ||
| 361 | I | 39.4 | Very low | 48.8 | Very low | 155 Ų | 155 | 113.9 Ų | 113.9 | 80% | 0.795 | 63% | 0.633 | S | S | * | * | trans | -73.3 | 92.9 | 171 | -60 | 174.6 | 0 | 0 | 0 | 105.2 | P359 | P359-I361 VanDerWaalsContact C-N 3.28Å; P359-I361 PolarHBondContact O-N 3.19Å | ||
| 362 | C | 31 | Very low | 46 | Very low | 103 Ų | 103 | 120 Ų | 120 | 70% | 0.696 | 67% | 0.67 | S | S | * | * | trans | -57.4 | 141.2 | 161.9 | -77.9 | 0 | 0 | 0 | 0 | 108.5 | K360 K364 | K360-C362 VanDerWaalsContact C-N 3.28Å; K360-C362 PolarHBondContact O-N 3.06Å; C362-K364 PolarHBondContact O-N 2.96Å | ||
| 363 | P | 32.8 | Very low | 43.3 | Very low | 123 Ų | 123 | 124.8 Ų | 124.8 | 80% | 0.799 | 70% | 0.704 | S | S | * | * | trans | -59.1 | 135.7 | 175.3 | 22.2 | -25.8 | 0 | 0 | 0 | 108.9 | G365 | P363-G365 PolarHBondContact O-N 3.32Š| ||
| 364 | K | 30.7 | Very low | 40.8 | Very low | 214 Ų | 214 | 126.2 Ų | 126.2 | 93% | 0.93 | 73% | 0.729 | S | S | * | * | trans | -41.8 | 109.9 | -176 | -71.4 | 177.6 | 174.1 | 180 | 0 | 111.9 | C362 | C362-K364 PolarHBondContact O-N 2.96Š| ||
| 365 | G | 29.2 | Very low | 38.6 | Very low | 71 Ų | 71 | 133.2 Ų | 133.2 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | trans | -108.3 | 146.1 | 154.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | P363 | P363-G365 PolarHBondContact O-N 3.32Š| ||
| 366 | E | 29.8 | Very low | 36.7 | Very low | 178 Ų | 178 | 141.2 Ų | 141.2 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -58.9 | 152.1 | -165.4 | -64 | 153.8 | 142.4 | 0 | 0 | 114.8 | ||||
| 367 | N | 30.5 | Very low | 35.5 | Very low | 160 Ų | 160 | 142.7 Ų | 142.7 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | 74.9 | 116.6 | 157.4 | -53 | -31.6 | 0 | 0 | 0 | 119.2 | ||||
| 368 | G | 29.2 | Very low | 34.5 | Very low | 68 Ų | 68 | 149.1 Ų | 149.1 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | trans | 100.7 | 115.5 | 132.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 369 | V | 32.1 | Very low | 33.6 | Very low | 142 Ų | 142 | 152.4 Ų | 152.4 | 86% | 0.861 | 84% | 0.842 | S | S | * | * | trans | 77.3 | 107.4 | 145.7 | -163.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 370 | L | 30.2 | Very low | 33.1 | Very low | 168 Ų | 168 | 155.3 Ų | 155.3 | 88% | 0.88 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 133.6 | 164.9 | -80 | 156.3 | 0 | 0 | 0 | 110.7 | ||
| 371 | P | 33.2 | Very low | 32.6 | Very low | 120 Ų | 120 | 152.7 Ų | 152.7 | 78% | 0.779 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 135 | 157.5 | 17.3 | 0.4 | 0 | 0 | 0 | 111.5 | ||
| 372 | T | 31.9 | Very low | 32.2 | Very low | 128 Ų | 128 | 152.5 Ų | 152.5 | 79% | 0.785 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 157.7 | 174.5 | 42.2 | 0 | 0 | 0 | 0 | 112.3 | ||
| 373 | S | 33.4 | Very low | 32.2 | Very low | 118 Ų | 118 | 155.6 Ų | 155.6 | 83% | 0.825 | 87% | 0.865 | S | S | * | * | trans | 89 | 113.6 | 161.5 | 85.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 374 | A | 36.4 | Very low | 32.2 | Very low | 108 Ų | 108 | 157.8 Ų | 157.8 | 89% | 0.893 | 87% | 0.869 | S | S | * | * | trans | -150.8 | 121.5 | 139.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 375 | K | 34.2 | Very low | 32.3 | Very low | 204 Ų | 204 | 153.8 Ų | 153.8 | 89% | 0.887 | 87% | 0.865 | S | S | * | * | trans | -73.1 | 148.8 | -167.9 | -73 | 167.9 | 169.9 | 172 | 0 | 112.8 | ||||
| 376 | K | 28.2 | Very low | 32.6 | Very low | 206 Ų | 206 | 160.2 Ų | 160.2 | 90% | 0.896 | 88% | 0.875 | S | S | * | * | trans | -39.7 | 135.2 | 155.4 | -82.7 | 172.3 | 168.3 | 174.4 | 0 | 111.9 | ||||
| 377 | K | 38.1 | Very low | 32.8 | Very low | 210 Ų | 210 | 158.7 Ų | 158.7 | 91% | 0.913 | 88% | 0.879 | S | S | * | * | trans | -123.2 | 142.3 | 145.7 | -91.5 | -173.6 | 175 | -177.4 | 0 | 109.2 | ||||
| 378 | Q | 36 | Very low | 33 | Very low | 272 Ų | 272 | 158.5 Ų | 158.5 | 100% | 1.271 | 88% | 0.881 | S | S | * | * | trans | -58 | 0 | -168 | -75.6 | 163.1 | -49.9 | 0 | 0 | 114.8 |
Retrieved 378 of 378 residues in 329.8 ms
(Link to these results)